----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:14:19]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.051301219999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.654682899999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.395446170000000 Atomic positions (fractional): *1 Ca 0.83089636838853 0.07011366584030 0.01973005747549 40.078 2 Ca 0.33089636838853 0.42988633415970 0.98026994252452 40.078 3 Ca 0.66910363161147 0.92988633415970 0.51973005747548 40.078 4 Ca 0.16910363161147 0.57011366584030 0.48026994252451 40.078 5 Ca 0.16910363161147 0.92988633415970 0.98026994252452 40.078 6 Ca 0.66910363161147 0.57011366584030 0.01973005747549 40.078 7 Ca 0.33089636838853 0.07011366584030 0.48026994252451 40.078 8 Ca 0.83089636838853 0.42988633415970 0.51973005747548 40.078 *9 Ca 0.99426782529048 0.39038985433847 0.15646458941826 40.078 10 Ca 0.49426782529048 0.10961014566153 0.84353541058174 40.078 11 Ca 0.50573217470952 0.60961014566153 0.65646458941826 40.078 12 Ca 0.00573217470952 0.89038985433847 0.34353541058174 40.078 13 Ca 0.00573217470952 0.60961014566153 0.84353541058174 40.078 14 Ca 0.50573217470952 0.89038985433847 0.15646458941826 40.078 15 Ca 0.49426782529048 0.39038985433847 0.34353541058174 40.078 16 Ca 0.99426782529048 0.10961014566153 0.65646458941826 40.078 *17 Si 0.78426672258377 0.15853210320430 0.33409650546956 28.085 18 Si 0.28426672258377 0.34146789679570 0.66590349453044 28.085 19 Si 0.71573327741623 0.84146789679570 0.83409650546956 28.085 20 Si 0.21573327741623 0.65853210320430 0.16590349453044 28.085 21 Si 0.21573327741623 0.84146789679570 0.66590349453044 28.085 22 Si 0.71573327741623 0.65853210320430 0.33409650546956 28.085 23 Si 0.28426672258377 0.15853210320430 0.16590349453044 28.085 24 Si 0.78426672258377 0.34146789679570 0.83409650546956 28.085 *25 O 0.86055225904612 0.06181900206464 0.44765490229298 15.999 26 O 0.36055225904612 0.43818099793536 0.55234509770702 15.999 27 O 0.63944774095388 0.93818099793536 0.94765490229298 15.999 28 O 0.13944774095388 0.56181900206464 0.05234509770702 15.999 29 O 0.13944774095388 0.93818099793536 0.55234509770702 15.999 30 O 0.63944774095388 0.56181900206464 0.44765490229298 15.999 31 O 0.36055225904612 0.06181900206464 0.05234509770702 15.999 32 O 0.86055225904612 0.43818099793536 0.94765490229298 15.999 *33 O 0.64972694635414 0.07499411600257 0.24958339589174 15.999 34 O 0.14972694635414 0.42500588399743 0.75041660410826 15.999 35 O 0.85027305364586 0.92500588399743 0.74958339589174 15.999 36 O 0.35027305364586 0.57499411600257 0.25041660410826 15.999 37 O 0.35027305364586 0.92500588399743 0.75041660410826 15.999 38 O 0.85027305364586 0.57499411600257 0.24958339589174 15.999 39 O 0.14972694635414 0.07499411600257 0.25041660410826 15.999 40 O 0.64972694635414 0.42500588399743 0.74958339589174 15.999 *41 O 0.90450520488164 0.19130422547520 0.20905158337311 15.999 42 O 0.40450520488164 0.30869577452480 0.79094841662688 15.999 43 O 0.59549479511836 0.80869577452480 0.70905158337312 15.999 44 O 0.09549479511836 0.69130422547520 0.29094841662688 15.999 45 O 0.09549479511836 0.80869577452480 0.79094841662688 15.999 46 O 0.59549479511836 0.69130422547520 0.20905158337311 15.999 47 O 0.40450520488164 0.19130422547520 0.29094841662688 15.999 48 O 0.90450520488164 0.30869577452480 0.70905158337312 15.999 *49 O 0.70357498433889 0.27888383436880 0.40538923228392 15.999 50 O 0.20357498433889 0.22111616563120 0.59461076771608 15.999 51 O 0.79642501566111 0.72111616563120 0.90538923228392 15.999 52 O 0.29642501566111 0.77888383436880 0.09461076771608 15.999 53 O 0.29642501566111 0.72111616563120 0.59461076771608 15.999 54 O 0.79642501566111 0.77888383436880 0.40538923228392 15.999 55 O 0.20357498433889 0.27888383436880 0.09461076771608 15.999 56 O 0.70357498433889 0.22111616563120 0.90538923228392 15.999 *57 O 0.54820376394744 0.39505714926504 0.10368984807559 15.999 58 O 0.04820376394744 0.10494285073496 0.89631015192441 15.999 59 O 0.95179623605256 0.60494285073496 0.60368984807559 15.999 60 O 0.45179623605256 0.89505714926504 0.39631015192441 15.999 61 O 0.45179623605256 0.60494285073496 0.89631015192441 15.999 62 O 0.95179623605256 0.89505714926504 0.10368984807559 15.999 63 O 0.04820376394744 0.39505714926504 0.39631015192441 15.999 64 O 0.54820376394744 0.10494285073496 0.60368984807559 15.999 *65 H 0.55049673368135 0.12549073435955 0.26016101531603 1.008 66 H 0.05049673368135 0.37450926564045 0.73983898468397 1.008 67 H 0.94950326631865 0.87450926564045 0.76016101531603 1.008 68 H 0.44950326631865 0.62549073435955 0.23983898468397 1.008 69 H 0.44950326631865 0.87450926564045 0.73983898468397 1.008 70 H 0.94950326631865 0.62549073435955 0.26016101531603 1.008 71 H 0.05049673368135 0.12549073435955 0.23983898468397 1.008 72 H 0.55049673368135 0.37450926564045 0.76016101531603 1.008 *73 H 0.60159947538938 0.32267816544991 0.06310373557574 1.008 74 H 0.10159947538938 0.17732183455009 0.93689626442426 1.008 75 H 0.89840052461062 0.67732183455009 0.56310373557574 1.008 76 H 0.39840052461062 0.82267816544991 0.43689626442426 1.008 77 H 0.39840052461062 0.67732183455009 0.93689626442426 1.008 78 H 0.89840052461062 0.82267816544991 0.06310373557574 1.008 79 H 0.10159947538938 0.32267816544991 0.43689626442426 1.008 80 H 0.60159947538938 0.17732183455009 0.56310373557574 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.051301219999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.654682899999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.395446170000000 Atomic positions (fractional): *1 Ca 0.83089636838853 0.07011366584030 0.01973005747549 40.078 > 1 2 Ca 0.33089636838853 0.42988633415970 0.98026994252452 40.078 > 2 3 Ca 0.66910363161147 0.92988633415970 0.51973005747548 40.078 > 3 4 Ca 0.16910363161147 0.57011366584030 0.48026994252451 40.078 > 4 5 Ca 0.16910363161147 0.92988633415970 0.98026994252452 40.078 > 5 6 Ca 0.66910363161147 0.57011366584030 0.01973005747549 40.078 > 6 7 Ca 0.33089636838853 0.07011366584030 0.48026994252451 40.078 > 7 8 Ca 0.83089636838853 0.42988633415970 0.51973005747548 40.078 > 8 *9 Ca 0.99426782529048 0.39038985433847 0.15646458941826 40.078 > 9 10 Ca 0.49426782529048 0.10961014566153 0.84353541058174 40.078 > 10 11 Ca 0.50573217470952 0.60961014566153 0.65646458941826 40.078 > 11 12 Ca 0.00573217470952 0.89038985433847 0.34353541058174 40.078 > 12 13 Ca 0.00573217470952 0.60961014566153 0.84353541058174 40.078 > 13 14 Ca 0.50573217470952 0.89038985433847 0.15646458941826 40.078 > 14 15 Ca 0.49426782529048 0.39038985433847 0.34353541058174 40.078 > 15 16 Ca 0.99426782529048 0.10961014566153 0.65646458941826 40.078 > 16 *17 Si 0.78426672258377 0.15853210320430 0.33409650546956 28.085 > 17 18 Si 0.28426672258377 0.34146789679570 0.66590349453044 28.085 > 18 19 Si 0.71573327741623 0.84146789679570 0.83409650546956 28.085 > 19 20 Si 0.21573327741623 0.65853210320430 0.16590349453044 28.085 > 20 21 Si 0.21573327741623 0.84146789679570 0.66590349453044 28.085 > 21 22 Si 0.71573327741623 0.65853210320430 0.33409650546956 28.085 > 22 23 Si 0.28426672258377 0.15853210320430 0.16590349453044 28.085 > 23 24 Si 0.78426672258377 0.34146789679570 0.83409650546956 28.085 > 24 *25 O 0.86055225904612 0.06181900206464 0.44765490229298 15.999 > 25 26 O 0.36055225904612 0.43818099793536 0.55234509770702 15.999 > 26 27 O 0.63944774095388 0.93818099793536 0.94765490229298 15.999 > 27 28 O 0.13944774095388 0.56181900206464 0.05234509770702 15.999 > 28 29 O 0.13944774095388 0.93818099793536 0.55234509770702 15.999 > 29 30 O 0.63944774095388 0.56181900206464 0.44765490229298 15.999 > 30 31 O 0.36055225904612 0.06181900206464 0.05234509770702 15.999 > 31 32 O 0.86055225904612 0.43818099793536 0.94765490229298 15.999 > 32 *33 O 0.64972694635414 0.07499411600257 0.24958339589174 15.999 > 33 34 O 0.14972694635414 0.42500588399743 0.75041660410826 15.999 > 34 35 O 0.85027305364586 0.92500588399743 0.74958339589174 15.999 > 35 36 O 0.35027305364586 0.57499411600257 0.25041660410826 15.999 > 36 37 O 0.35027305364586 0.92500588399743 0.75041660410826 15.999 > 37 38 O 0.85027305364586 0.57499411600257 0.24958339589174 15.999 > 38 39 O 0.14972694635414 0.07499411600257 0.25041660410826 15.999 > 39 40 O 0.64972694635414 0.42500588399743 0.74958339589174 15.999 > 40 *41 O 0.90450520488164 0.19130422547520 0.20905158337311 15.999 > 41 42 O 0.40450520488164 0.30869577452480 0.79094841662688 15.999 > 42 43 O 0.59549479511836 0.80869577452480 0.70905158337312 15.999 > 43 44 O 0.09549479511836 0.69130422547520 0.29094841662688 15.999 > 44 45 O 0.09549479511836 0.80869577452480 0.79094841662688 15.999 > 45 46 O 0.59549479511836 0.69130422547520 0.20905158337311 15.999 > 46 47 O 0.40450520488164 0.19130422547520 0.29094841662688 15.999 > 47 48 O 0.90450520488164 0.30869577452480 0.70905158337312 15.999 > 48 *49 O 0.70357498433889 0.27888383436880 0.40538923228392 15.999 > 49 50 O 0.20357498433889 0.22111616563120 0.59461076771608 15.999 > 50 51 O 0.79642501566111 0.72111616563120 0.90538923228392 15.999 > 51 52 O 0.29642501566111 0.77888383436880 0.09461076771608 15.999 > 52 53 O 0.29642501566111 0.72111616563120 0.59461076771608 15.999 > 53 54 O 0.79642501566111 0.77888383436880 0.40538923228392 15.999 > 54 55 O 0.20357498433889 0.27888383436880 0.09461076771608 15.999 > 55 56 O 0.70357498433889 0.22111616563120 0.90538923228392 15.999 > 56 *57 O 0.54820376394744 0.39505714926504 0.10368984807559 15.999 > 57 58 O 0.04820376394744 0.10494285073496 0.89631015192441 15.999 > 58 59 O 0.95179623605256 0.60494285073496 0.60368984807559 15.999 > 59 60 O 0.45179623605256 0.89505714926504 0.39631015192441 15.999 > 60 61 O 0.45179623605256 0.60494285073496 0.89631015192441 15.999 > 61 62 O 0.95179623605256 0.89505714926504 0.10368984807559 15.999 > 62 63 O 0.04820376394744 0.39505714926504 0.39631015192441 15.999 > 63 64 O 0.54820376394744 0.10494285073496 0.60368984807559 15.999 > 64 *65 H 0.55049673368135 0.12549073435955 0.26016101531603 1.008 > 65 66 H 0.05049673368135 0.37450926564045 0.73983898468397 1.008 > 66 67 H 0.94950326631865 0.87450926564045 0.76016101531603 1.008 > 67 68 H 0.44950326631865 0.62549073435955 0.23983898468397 1.008 > 68 69 H 0.44950326631865 0.87450926564045 0.73983898468397 1.008 > 69 70 H 0.94950326631865 0.62549073435955 0.26016101531603 1.008 > 70 71 H 0.05049673368135 0.12549073435955 0.23983898468397 1.008 > 71 72 H 0.55049673368135 0.37450926564045 0.76016101531603 1.008 > 72 *73 H 0.60159947538938 0.32267816544991 0.06310373557574 1.008 > 73 74 H 0.10159947538938 0.17732183455009 0.93689626442426 1.008 > 74 75 H 0.89840052461062 0.67732183455009 0.56310373557574 1.008 > 75 76 H 0.39840052461062 0.82267816544991 0.43689626442426 1.008 > 76 77 H 0.39840052461062 0.67732183455009 0.93689626442426 1.008 > 77 78 H 0.89840052461062 0.82267816544991 0.06310373557574 1.008 > 78 79 H 0.10159947538938 0.32267816544991 0.43689626442426 1.008 > 79 80 H 0.60159947538938 0.17732183455009 0.56310373557574 1.008 > 80 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.051301219999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.654682899999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.395446170000000 Atomic positions (fractional): *1 Ca 0.83089636838853 0.07011366584030 0.01973005747549 40.078 > 1 2 Ca 0.33089636838853 0.42988633415970 0.98026994252452 40.078 > 2 3 Ca 0.66910363161147 0.92988633415970 0.51973005747548 40.078 > 3 4 Ca 0.16910363161147 0.57011366584030 0.48026994252451 40.078 > 4 5 Ca 0.16910363161147 0.92988633415970 0.98026994252452 40.078 > 5 6 Ca 0.66910363161147 0.57011366584030 0.01973005747549 40.078 > 6 7 Ca 0.33089636838853 0.07011366584030 0.48026994252451 40.078 > 7 8 Ca 0.83089636838853 0.42988633415970 0.51973005747548 40.078 > 8 *9 Ca 0.99426782529048 0.39038985433847 0.15646458941826 40.078 > 9 10 Ca 0.49426782529048 0.10961014566153 0.84353541058174 40.078 > 10 11 Ca 0.50573217470952 0.60961014566153 0.65646458941826 40.078 > 11 12 Ca 0.00573217470952 0.89038985433847 0.34353541058174 40.078 > 12 13 Ca 0.00573217470952 0.60961014566153 0.84353541058174 40.078 > 13 14 Ca 0.50573217470952 0.89038985433847 0.15646458941826 40.078 > 14 15 Ca 0.49426782529048 0.39038985433847 0.34353541058174 40.078 > 15 16 Ca 0.99426782529048 0.10961014566153 0.65646458941826 40.078 > 16 *17 Si 0.78426672258377 0.15853210320430 0.33409650546956 28.085 > 17 18 Si 0.28426672258377 0.34146789679570 0.66590349453044 28.085 > 18 19 Si 0.71573327741623 0.84146789679570 0.83409650546956 28.085 > 19 20 Si 0.21573327741623 0.65853210320430 0.16590349453044 28.085 > 20 21 Si 0.21573327741623 0.84146789679570 0.66590349453044 28.085 > 21 22 Si 0.71573327741623 0.65853210320430 0.33409650546956 28.085 > 22 23 Si 0.28426672258377 0.15853210320430 0.16590349453044 28.085 > 23 24 Si 0.78426672258377 0.34146789679570 0.83409650546956 28.085 > 24 *25 O 0.86055225904612 0.06181900206464 0.44765490229298 15.999 > 25 26 O 0.36055225904612 0.43818099793536 0.55234509770702 15.999 > 26 27 O 0.63944774095388 0.93818099793536 0.94765490229298 15.999 > 27 28 O 0.13944774095388 0.56181900206464 0.05234509770702 15.999 > 28 29 O 0.13944774095388 0.93818099793536 0.55234509770702 15.999 > 29 30 O 0.63944774095388 0.56181900206464 0.44765490229298 15.999 > 30 31 O 0.36055225904612 0.06181900206464 0.05234509770702 15.999 > 31 32 O 0.86055225904612 0.43818099793536 0.94765490229298 15.999 > 32 *33 O 0.64972694635414 0.07499411600257 0.24958339589174 15.999 > 33 34 O 0.14972694635414 0.42500588399743 0.75041660410826 15.999 > 34 35 O 0.85027305364586 0.92500588399743 0.74958339589174 15.999 > 35 36 O 0.35027305364586 0.57499411600257 0.25041660410826 15.999 > 36 37 O 0.35027305364586 0.92500588399743 0.75041660410826 15.999 > 37 38 O 0.85027305364586 0.57499411600257 0.24958339589174 15.999 > 38 39 O 0.14972694635414 0.07499411600257 0.25041660410826 15.999 > 39 40 O 0.64972694635414 0.42500588399743 0.74958339589174 15.999 > 40 *41 O 0.90450520488164 0.19130422547520 0.20905158337311 15.999 > 41 42 O 0.40450520488164 0.30869577452480 0.79094841662688 15.999 > 42 43 O 0.59549479511836 0.80869577452480 0.70905158337312 15.999 > 43 44 O 0.09549479511836 0.69130422547520 0.29094841662688 15.999 > 44 45 O 0.09549479511836 0.80869577452480 0.79094841662688 15.999 > 45 46 O 0.59549479511836 0.69130422547520 0.20905158337311 15.999 > 46 47 O 0.40450520488164 0.19130422547520 0.29094841662688 15.999 > 47 48 O 0.90450520488164 0.30869577452480 0.70905158337312 15.999 > 48 *49 O 0.70357498433889 0.27888383436880 0.40538923228392 15.999 > 49 50 O 0.20357498433889 0.22111616563120 0.59461076771608 15.999 > 50 51 O 0.79642501566111 0.72111616563120 0.90538923228392 15.999 > 51 52 O 0.29642501566111 0.77888383436880 0.09461076771608 15.999 > 52 53 O 0.29642501566111 0.72111616563120 0.59461076771608 15.999 > 53 54 O 0.79642501566111 0.77888383436880 0.40538923228392 15.999 > 54 55 O 0.20357498433889 0.27888383436880 0.09461076771608 15.999 > 55 56 O 0.70357498433889 0.22111616563120 0.90538923228392 15.999 > 56 *57 O 0.54820376394744 0.39505714926504 0.10368984807559 15.999 > 57 58 O 0.04820376394744 0.10494285073496 0.89631015192441 15.999 > 58 59 O 0.95179623605256 0.60494285073496 0.60368984807559 15.999 > 59 60 O 0.45179623605256 0.89505714926504 0.39631015192441 15.999 > 60 61 O 0.45179623605256 0.60494285073496 0.89631015192441 15.999 > 61 62 O 0.95179623605256 0.89505714926504 0.10368984807559 15.999 > 62 63 O 0.04820376394744 0.39505714926504 0.39631015192441 15.999 > 63 64 O 0.54820376394744 0.10494285073496 0.60368984807559 15.999 > 64 *65 H 0.55049673368135 0.12549073435955 0.26016101531603 1.008 > 65 66 H 0.05049673368135 0.37450926564045 0.73983898468397 1.008 > 66 67 H 0.94950326631865 0.87450926564045 0.76016101531603 1.008 > 67 68 H 0.44950326631865 0.62549073435955 0.23983898468397 1.008 > 68 69 H 0.44950326631865 0.87450926564045 0.73983898468397 1.008 > 69 70 H 0.94950326631865 0.62549073435955 0.26016101531603 1.008 > 70 71 H 0.05049673368135 0.12549073435955 0.23983898468397 1.008 > 71 72 H 0.55049673368135 0.37450926564045 0.76016101531603 1.008 > 72 *73 H 0.60159947538938 0.32267816544991 0.06310373557574 1.008 > 73 74 H 0.10159947538938 0.17732183455009 0.93689626442426 1.008 > 74 75 H 0.89840052461062 0.67732183455009 0.56310373557574 1.008 > 75 76 H 0.39840052461062 0.82267816544991 0.43689626442426 1.008 > 76 77 H 0.39840052461062 0.67732183455009 0.93689626442426 1.008 > 77 78 H 0.89840052461062 0.82267816544991 0.06310373557574 1.008 > 78 79 H 0.10159947538938 0.32267816544991 0.43689626442426 1.008 > 79 80 H 0.60159947538938 0.17732183455009 0.56310373557574 1.008 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9855097 0.0000000 0.0000000 0.0000000 2.9217771 0.0000000 0.0000000 0.0000000 2.8927694 -------------------------- Born effective charges -------------------------- 1 Ca 2.2681599 -0.0209153 0.0964250 -0.0777199 2.3528910 0.0391771 0.1561552 0.0623158 2.2474693 2 Ca 2.2681599 0.0209153 -0.0964250 0.0777199 2.3528910 0.0391771 -0.1561552 0.0623158 2.2474693 3 Ca 2.2681599 -0.0209153 -0.0964250 -0.0777199 2.3528910 -0.0391771 -0.1561552 -0.0623158 2.2474693 4 Ca 2.2681599 0.0209153 0.0964250 0.0777199 2.3528910 -0.0391771 0.1561552 -0.0623158 2.2474693 5 Ca 2.2681599 -0.0209153 0.0964250 -0.0777199 2.3528910 0.0391771 0.1561552 0.0623158 2.2474693 6 Ca 2.2681599 0.0209153 -0.0964250 0.0777199 2.3528910 0.0391771 -0.1561552 0.0623158 2.2474693 7 Ca 2.2681599 -0.0209153 -0.0964250 -0.0777199 2.3528910 -0.0391771 -0.1561552 -0.0623158 2.2474693 8 Ca 2.2681599 0.0209153 0.0964250 0.0777199 2.3528910 -0.0391771 0.1561552 -0.0623158 2.2474693 9 Ca 2.2785672 -0.0593118 0.0040600 -0.0495158 2.5662975 -0.0730691 0.0385553 -0.1356639 2.4363431 10 Ca 2.2785672 0.0593118 -0.0040600 0.0495158 2.5662975 -0.0730691 -0.0385553 -0.1356639 2.4363431 11 Ca 2.2785672 -0.0593118 -0.0040600 -0.0495158 2.5662975 0.0730691 -0.0385553 0.1356639 2.4363431 12 Ca 2.2785672 0.0593118 0.0040600 0.0495158 2.5662975 0.0730691 0.0385553 0.1356639 2.4363431 13 Ca 2.2785672 -0.0593118 0.0040600 -0.0495158 2.5662975 -0.0730691 0.0385553 -0.1356639 2.4363431 14 Ca 2.2785672 0.0593118 -0.0040600 0.0495158 2.5662975 -0.0730691 -0.0385553 -0.1356639 2.4363431 15 Ca 2.2785672 -0.0593118 -0.0040600 -0.0495158 2.5662975 0.0730691 -0.0385553 0.1356639 2.4363431 16 Ca 2.2785672 0.0593118 0.0040600 0.0495158 2.5662975 0.0730691 0.0385553 0.1356639 2.4363431 17 Si 3.0485538 0.0161013 -0.1917098 -0.1675845 2.8109405 -0.0094567 -0.1764114 -0.0264727 2.8599009 18 Si 3.0485538 -0.0161013 0.1917098 0.1675845 2.8109405 -0.0094567 0.1764114 -0.0264727 2.8599009 19 Si 3.0485538 0.0161013 0.1917098 -0.1675845 2.8109405 0.0094567 0.1764114 0.0264727 2.8599009 20 Si 3.0485538 -0.0161013 -0.1917098 0.1675845 2.8109405 0.0094567 -0.1764114 0.0264727 2.8599009 21 Si 3.0485538 0.0161013 -0.1917098 -0.1675845 2.8109405 -0.0094567 -0.1764114 -0.0264727 2.8599009 22 Si 3.0485538 -0.0161013 0.1917098 0.1675845 2.8109405 -0.0094567 0.1764114 -0.0264727 2.8599009 23 Si 3.0485538 0.0161013 0.1917098 -0.1675845 2.8109405 0.0094567 0.1764114 0.0264727 2.8599009 24 Si 3.0485538 -0.0161013 -0.1917098 0.1675845 2.8109405 0.0094567 -0.1764114 0.0264727 2.8599009 25 O -1.7521734 0.1338093 -0.1667393 0.1673708 -1.8838010 0.2695664 -0.2080601 0.2827334 -1.9016856 26 O -1.7521734 -0.1338093 0.1667393 -0.1673708 -1.8838010 0.2695664 0.2080601 0.2827334 -1.9016856 27 O -1.7521734 0.1338093 0.1667393 0.1673708 -1.8838010 -0.2695664 0.2080601 -0.2827334 -1.9016856 28 O -1.7521734 -0.1338093 -0.1667393 -0.1673708 -1.8838010 -0.2695664 -0.2080601 -0.2827334 -1.9016856 29 O -1.7521734 0.1338093 -0.1667393 0.1673708 -1.8838010 0.2695664 -0.2080601 0.2827334 -1.9016856 30 O -1.7521734 -0.1338093 0.1667393 -0.1673708 -1.8838010 0.2695664 0.2080601 0.2827334 -1.9016856 31 O -1.7521734 0.1338093 0.1667393 0.1673708 -1.8838010 -0.2695664 0.2080601 -0.2827334 -1.9016856 32 O -1.7521734 -0.1338093 -0.1667393 -0.1673708 -1.8838010 -0.2695664 -0.2080601 -0.2827334 -1.9016856 33 O -2.3837957 -0.0752615 -0.1711843 -0.0815003 -1.4540968 -0.2389298 -0.1913300 -0.1974898 -1.3693540 34 O -2.3837957 0.0752615 0.1711843 0.0815003 -1.4540968 -0.2389298 0.1913300 -0.1974898 -1.3693540 35 O -2.3837957 -0.0752615 0.1711843 -0.0815003 -1.4540968 0.2389298 0.1913300 0.1974898 -1.3693540 36 O -2.3837957 0.0752615 -0.1711843 0.0815003 -1.4540968 0.2389298 -0.1913300 0.1974898 -1.3693540 37 O -2.3837957 -0.0752615 -0.1711843 -0.0815003 -1.4540968 -0.2389298 -0.1913300 -0.1974898 -1.3693540 38 O -2.3837957 0.0752615 0.1711843 0.0815003 -1.4540968 -0.2389298 0.1913300 -0.1974898 -1.3693540 39 O -2.3837957 -0.0752615 0.1711843 -0.0815003 -1.4540968 0.2389298 0.1913300 0.1974898 -1.3693540 40 O -2.3837957 0.0752615 -0.1711843 0.0815003 -1.4540968 0.2389298 -0.1913300 0.1974898 -1.3693540 41 O -2.1706922 -0.0300573 0.2946450 -0.0691633 -1.6744123 0.0665176 0.3476728 0.0273070 -1.8207393 42 O -2.1706922 0.0300573 -0.2946450 0.0691633 -1.6744123 0.0665176 -0.3476728 0.0273070 -1.8207393 43 O -2.1706922 -0.0300573 -0.2946450 -0.0691633 -1.6744123 -0.0665176 -0.3476728 -0.0273070 -1.8207393 44 O -2.1706922 0.0300573 0.2946450 0.0691633 -1.6744123 -0.0665176 0.3476728 -0.0273070 -1.8207393 45 O -2.1706922 -0.0300573 0.2946450 -0.0691633 -1.6744123 0.0665176 0.3476728 0.0273070 -1.8207393 46 O -2.1706922 0.0300573 -0.2946450 0.0691633 -1.6744123 0.0665176 -0.3476728 0.0273070 -1.8207393 47 O -2.1706922 -0.0300573 -0.2946450 -0.0691633 -1.6744123 -0.0665176 -0.3476728 -0.0273070 -1.8207393 48 O -2.1706922 0.0300573 0.2946450 0.0691633 -1.6744123 -0.0665176 0.3476728 -0.0273070 -1.8207393 49 O -1.8178356 0.1836526 0.0306756 0.2498541 -2.2003738 -0.2898567 0.0291443 -0.3115954 -1.5287379 50 O -1.8178356 -0.1836526 -0.0306756 -0.2498541 -2.2003738 -0.2898567 -0.0291443 -0.3115954 -1.5287379 51 O -1.8178356 0.1836526 -0.0306756 0.2498541 -2.2003738 0.2898567 -0.0291443 0.3115954 -1.5287379 52 O -1.8178356 -0.1836526 0.0306756 -0.2498541 -2.2003738 0.2898567 0.0291443 0.3115954 -1.5287379 53 O -1.8178356 0.1836526 0.0306756 0.2498541 -2.2003738 -0.2898567 0.0291443 -0.3115954 -1.5287379 54 O -1.8178356 -0.1836526 -0.0306756 -0.2498541 -2.2003738 -0.2898567 -0.0291443 -0.3115954 -1.5287379 55 O -1.8178356 0.1836526 -0.0306756 0.2498541 -2.2003738 0.2898567 -0.0291443 0.3115954 -1.5287379 56 O -1.8178356 -0.1836526 0.0306756 -0.2498541 -2.2003738 0.2898567 0.0291443 0.3115954 -1.5287379 57 O -1.5585819 -0.0663033 0.0783231 -0.0841908 -1.4513941 0.1074853 0.1023560 0.0546261 -1.7331554 58 O -1.5585819 0.0663033 -0.0783231 0.0841908 -1.4513941 0.1074853 -0.1023560 0.0546261 -1.7331554 59 O -1.5585819 -0.0663033 -0.0783231 -0.0841908 -1.4513941 -0.1074853 -0.1023560 -0.0546261 -1.7331554 60 O -1.5585819 0.0663033 0.0783231 0.0841908 -1.4513941 -0.1074853 0.1023560 -0.0546261 -1.7331554 61 O -1.5585819 -0.0663033 0.0783231 -0.0841908 -1.4513941 0.1074853 0.1023560 0.0546261 -1.7331554 62 O -1.5585819 0.0663033 -0.0783231 0.0841908 -1.4513941 0.1074853 -0.1023560 0.0546261 -1.7331554 63 O -1.5585819 -0.0663033 -0.0783231 -0.0841908 -1.4513941 -0.1074853 -0.1023560 -0.0546261 -1.7331554 64 O -1.5585819 0.0663033 0.0783231 0.0841908 -1.4513941 -0.1074853 0.1023560 -0.0546261 -1.7331554 65 H 1.6546158 -0.6903050 -0.1451138 -0.4881427 0.5333688 0.0780022 0.0027119 0.0186879 0.2695477 66 H 1.6546158 0.6903050 0.1451138 0.4881427 0.5333688 0.0780022 -0.0027119 0.0186879 0.2695477 67 H 1.6546158 -0.6903050 0.1451138 -0.4881427 0.5333688 -0.0780022 -0.0027119 -0.0186879 0.2695477 68 H 1.6546158 0.6903050 -0.1451138 0.4881427 0.5333688 -0.0780022 0.0027119 -0.0186879 0.2695477 69 H 1.6546158 -0.6903050 -0.1451138 -0.4881427 0.5333688 0.0780022 0.0027119 0.0186879 0.2695477 70 H 1.6546158 0.6903050 0.1451138 0.4881427 0.5333688 0.0780022 -0.0027119 0.0186879 0.2695477 71 H 1.6546158 -0.6903050 0.1451138 -0.4881427 0.5333688 -0.0780022 -0.0027119 -0.0186879 0.2695477 72 H 1.6546158 0.6903050 -0.1451138 0.4881427 0.5333688 -0.0780022 0.0027119 -0.0186879 0.2695477 73 H 0.4331821 -0.1107781 -0.1723224 -0.0987471 0.4005801 0.1026976 -0.1750393 0.1477947 0.5404111 74 H 0.4331821 0.1107781 0.1723224 0.0987471 0.4005801 0.1026976 0.1750393 0.1477947 0.5404111 75 H 0.4331821 -0.1107781 0.1723224 -0.0987471 0.4005801 -0.1026976 0.1750393 -0.1477947 0.5404111 76 H 0.4331821 0.1107781 -0.1723224 0.0987471 0.4005801 -0.1026976 -0.1750393 -0.1477947 0.5404111 77 H 0.4331821 -0.1107781 -0.1723224 -0.0987471 0.4005801 0.1026976 -0.1750393 0.1477947 0.5404111 78 H 0.4331821 0.1107781 0.1723224 0.0987471 0.4005801 0.1026976 0.1750393 0.1477947 0.5404111 79 H 0.4331821 -0.1107781 0.1723224 -0.0987471 0.4005801 -0.1026976 0.1750393 -0.1477947 0.5404111 80 H 0.4331821 0.1107781 -0.1723224 0.0987471 0.4005801 -0.1026976 -0.1750393 -0.1477947 0.5404111 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3630), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1200 - Time: 0.909 Solver_block: 200 / 1200 - Time: 0.832 Solver_block: 300 / 1200 - Time: 0.839 Solver_block: 400 / 1200 - Time: 0.843 Solver_block: 500 / 1200 - Time: 0.827 Solver_block: 600 / 1200 - Time: 0.925 Solver_block: 700 / 1200 - Time: 0.879 Solver_block: 800 / 1200 - Time: 0.846 Solver_block: 900 / 1200 - Time: 0.900 Solver_block: 1000 / 1200 - Time: 0.847 Solver_block: 1100 / 1200 - Time: 0.880 Solver_block: 1200 / 1200 - Time: 0.828 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.550 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3630), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:15:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:15:12]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.051301219999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.654682899999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.395446170000000 Atomic positions (fractional): 1 Ca 0.83089636838853 0.07011366584030 0.01973005747549 40.078 2 Ca 0.33089636838853 0.42988633415970 0.98026994252452 40.078 3 Ca 0.66910363161147 0.92988633415970 0.51973005747548 40.078 4 Ca 0.16910363161147 0.57011366584030 0.48026994252451 40.078 5 Ca 0.16910363161147 0.92988633415970 0.98026994252452 40.078 6 Ca 0.66910363161147 0.57011366584030 0.01973005747549 40.078 7 Ca 0.33089636838853 0.07011366584030 0.48026994252451 40.078 8 Ca 0.83089636838853 0.42988633415970 0.51973005747548 40.078 9 Ca 0.99426782529048 0.39038985433847 0.15646458941826 40.078 10 Ca 0.49426782529048 0.10961014566153 0.84353541058174 40.078 11 Ca 0.50573217470952 0.60961014566153 0.65646458941826 40.078 12 Ca 0.00573217470952 0.89038985433847 0.34353541058174 40.078 13 Ca 0.00573217470952 0.60961014566153 0.84353541058174 40.078 14 Ca 0.50573217470952 0.89038985433847 0.15646458941826 40.078 15 Ca 0.49426782529048 0.39038985433847 0.34353541058174 40.078 16 Ca 0.99426782529048 0.10961014566153 0.65646458941826 40.078 17 Si 0.78426672258377 0.15853210320430 0.33409650546956 28.085 18 Si 0.28426672258377 0.34146789679570 0.66590349453044 28.085 19 Si 0.71573327741623 0.84146789679570 0.83409650546956 28.085 20 Si 0.21573327741623 0.65853210320430 0.16590349453044 28.085 21 Si 0.21573327741623 0.84146789679570 0.66590349453044 28.085 22 Si 0.71573327741623 0.65853210320430 0.33409650546956 28.085 23 Si 0.28426672258377 0.15853210320430 0.16590349453044 28.085 24 Si 0.78426672258377 0.34146789679570 0.83409650546956 28.085 25 O 0.86055225904612 0.06181900206464 0.44765490229298 15.999 26 O 0.36055225904612 0.43818099793536 0.55234509770702 15.999 27 O 0.63944774095388 0.93818099793536 0.94765490229298 15.999 28 O 0.13944774095388 0.56181900206464 0.05234509770702 15.999 29 O 0.13944774095388 0.93818099793536 0.55234509770702 15.999 30 O 0.63944774095388 0.56181900206464 0.44765490229298 15.999 31 O 0.36055225904612 0.06181900206464 0.05234509770702 15.999 32 O 0.86055225904612 0.43818099793536 0.94765490229298 15.999 33 O 0.64972694635414 0.07499411600257 0.24958339589174 15.999 34 O 0.14972694635414 0.42500588399743 0.75041660410826 15.999 35 O 0.85027305364586 0.92500588399743 0.74958339589174 15.999 36 O 0.35027305364586 0.57499411600257 0.25041660410826 15.999 37 O 0.35027305364586 0.92500588399743 0.75041660410826 15.999 38 O 0.85027305364586 0.57499411600257 0.24958339589174 15.999 39 O 0.14972694635414 0.07499411600257 0.25041660410826 15.999 40 O 0.64972694635414 0.42500588399743 0.74958339589174 15.999 41 O 0.90450520488164 0.19130422547520 0.20905158337311 15.999 42 O 0.40450520488164 0.30869577452480 0.79094841662688 15.999 43 O 0.59549479511836 0.80869577452480 0.70905158337312 15.999 44 O 0.09549479511836 0.69130422547520 0.29094841662688 15.999 45 O 0.09549479511836 0.80869577452480 0.79094841662688 15.999 46 O 0.59549479511836 0.69130422547520 0.20905158337311 15.999 47 O 0.40450520488164 0.19130422547520 0.29094841662688 15.999 48 O 0.90450520488164 0.30869577452480 0.70905158337312 15.999 49 O 0.70357498433889 0.27888383436880 0.40538923228392 15.999 50 O 0.20357498433889 0.22111616563120 0.59461076771608 15.999 51 O 0.79642501566111 0.72111616563120 0.90538923228392 15.999 52 O 0.29642501566111 0.77888383436880 0.09461076771608 15.999 53 O 0.29642501566111 0.72111616563120 0.59461076771608 15.999 54 O 0.79642501566111 0.77888383436880 0.40538923228392 15.999 55 O 0.20357498433889 0.27888383436880 0.09461076771608 15.999 56 O 0.70357498433889 0.22111616563120 0.90538923228392 15.999 57 O 0.54820376394744 0.39505714926504 0.10368984807559 15.999 58 O 0.04820376394744 0.10494285073496 0.89631015192441 15.999 59 O 0.95179623605256 0.60494285073496 0.60368984807559 15.999 60 O 0.45179623605256 0.89505714926504 0.39631015192441 15.999 61 O 0.45179623605256 0.60494285073496 0.89631015192441 15.999 62 O 0.95179623605256 0.89505714926504 0.10368984807559 15.999 63 O 0.04820376394744 0.39505714926504 0.39631015192441 15.999 64 O 0.54820376394744 0.10494285073496 0.60368984807559 15.999 65 H 0.55049673368135 0.12549073435955 0.26016101531603 1.008 66 H 0.05049673368135 0.37450926564045 0.73983898468397 1.008 67 H 0.94950326631865 0.87450926564045 0.76016101531603 1.008 68 H 0.44950326631865 0.62549073435955 0.23983898468397 1.008 69 H 0.44950326631865 0.87450926564045 0.73983898468397 1.008 70 H 0.94950326631865 0.62549073435955 0.26016101531603 1.008 71 H 0.05049673368135 0.12549073435955 0.23983898468397 1.008 72 H 0.55049673368135 0.37450926564045 0.76016101531603 1.008 73 H 0.60159947538938 0.32267816544991 0.06310373557574 1.008 74 H 0.10159947538938 0.17732183455009 0.93689626442426 1.008 75 H 0.89840052461062 0.67732183455009 0.56310373557574 1.008 76 H 0.39840052461062 0.82267816544991 0.43689626442426 1.008 77 H 0.39840052461062 0.67732183455009 0.93689626442426 1.008 78 H 0.89840052461062 0.82267816544991 0.06310373557574 1.008 79 H 0.10159947538938 0.32267816544991 0.43689626442426 1.008 80 H 0.60159947538938 0.17732183455009 0.56310373557574 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.051301219999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.654682899999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.395446170000000 Atomic positions (fractional): 1 Ca 0.83089636838853 0.07011366584030 0.01973005747549 40.078 > 1 2 Ca 0.33089636838853 0.42988633415970 0.98026994252452 40.078 > 2 3 Ca 0.66910363161147 0.92988633415970 0.51973005747548 40.078 > 3 4 Ca 0.16910363161147 0.57011366584030 0.48026994252451 40.078 > 4 5 Ca 0.16910363161147 0.92988633415970 0.98026994252452 40.078 > 5 6 Ca 0.66910363161147 0.57011366584030 0.01973005747549 40.078 > 6 7 Ca 0.33089636838853 0.07011366584030 0.48026994252451 40.078 > 7 8 Ca 0.83089636838853 0.42988633415970 0.51973005747548 40.078 > 8 9 Ca 0.99426782529048 0.39038985433847 0.15646458941826 40.078 > 9 10 Ca 0.49426782529048 0.10961014566153 0.84353541058174 40.078 > 10 11 Ca 0.50573217470952 0.60961014566153 0.65646458941826 40.078 > 11 12 Ca 0.00573217470952 0.89038985433847 0.34353541058174 40.078 > 12 13 Ca 0.00573217470952 0.60961014566153 0.84353541058174 40.078 > 13 14 Ca 0.50573217470952 0.89038985433847 0.15646458941826 40.078 > 14 15 Ca 0.49426782529048 0.39038985433847 0.34353541058174 40.078 > 15 16 Ca 0.99426782529048 0.10961014566153 0.65646458941826 40.078 > 16 17 Si 0.78426672258377 0.15853210320430 0.33409650546956 28.085 > 17 18 Si 0.28426672258377 0.34146789679570 0.66590349453044 28.085 > 18 19 Si 0.71573327741623 0.84146789679570 0.83409650546956 28.085 > 19 20 Si 0.21573327741623 0.65853210320430 0.16590349453044 28.085 > 20 21 Si 0.21573327741623 0.84146789679570 0.66590349453044 28.085 > 21 22 Si 0.71573327741623 0.65853210320430 0.33409650546956 28.085 > 22 23 Si 0.28426672258377 0.15853210320430 0.16590349453044 28.085 > 23 24 Si 0.78426672258377 0.34146789679570 0.83409650546956 28.085 > 24 25 O 0.86055225904612 0.06181900206464 0.44765490229298 15.999 > 25 26 O 0.36055225904612 0.43818099793536 0.55234509770702 15.999 > 26 27 O 0.63944774095388 0.93818099793536 0.94765490229298 15.999 > 27 28 O 0.13944774095388 0.56181900206464 0.05234509770702 15.999 > 28 29 O 0.13944774095388 0.93818099793536 0.55234509770702 15.999 > 29 30 O 0.63944774095388 0.56181900206464 0.44765490229298 15.999 > 30 31 O 0.36055225904612 0.06181900206464 0.05234509770702 15.999 > 31 32 O 0.86055225904612 0.43818099793536 0.94765490229298 15.999 > 32 33 O 0.64972694635414 0.07499411600257 0.24958339589174 15.999 > 33 34 O 0.14972694635414 0.42500588399743 0.75041660410826 15.999 > 34 35 O 0.85027305364586 0.92500588399743 0.74958339589174 15.999 > 35 36 O 0.35027305364586 0.57499411600257 0.25041660410826 15.999 > 36 37 O 0.35027305364586 0.92500588399743 0.75041660410826 15.999 > 37 38 O 0.85027305364586 0.57499411600257 0.24958339589174 15.999 > 38 39 O 0.14972694635414 0.07499411600257 0.25041660410826 15.999 > 39 40 O 0.64972694635414 0.42500588399743 0.74958339589174 15.999 > 40 41 O 0.90450520488164 0.19130422547520 0.20905158337311 15.999 > 41 42 O 0.40450520488164 0.30869577452480 0.79094841662688 15.999 > 42 43 O 0.59549479511836 0.80869577452480 0.70905158337312 15.999 > 43 44 O 0.09549479511836 0.69130422547520 0.29094841662688 15.999 > 44 45 O 0.09549479511836 0.80869577452480 0.79094841662688 15.999 > 45 46 O 0.59549479511836 0.69130422547520 0.20905158337311 15.999 > 46 47 O 0.40450520488164 0.19130422547520 0.29094841662688 15.999 > 47 48 O 0.90450520488164 0.30869577452480 0.70905158337312 15.999 > 48 49 O 0.70357498433889 0.27888383436880 0.40538923228392 15.999 > 49 50 O 0.20357498433889 0.22111616563120 0.59461076771608 15.999 > 50 51 O 0.79642501566111 0.72111616563120 0.90538923228392 15.999 > 51 52 O 0.29642501566111 0.77888383436880 0.09461076771608 15.999 > 52 53 O 0.29642501566111 0.72111616563120 0.59461076771608 15.999 > 53 54 O 0.79642501566111 0.77888383436880 0.40538923228392 15.999 > 54 55 O 0.20357498433889 0.27888383436880 0.09461076771608 15.999 > 55 56 O 0.70357498433889 0.22111616563120 0.90538923228392 15.999 > 56 57 O 0.54820376394744 0.39505714926504 0.10368984807559 15.999 > 57 58 O 0.04820376394744 0.10494285073496 0.89631015192441 15.999 > 58 59 O 0.95179623605256 0.60494285073496 0.60368984807559 15.999 > 59 60 O 0.45179623605256 0.89505714926504 0.39631015192441 15.999 > 60 61 O 0.45179623605256 0.60494285073496 0.89631015192441 15.999 > 61 62 O 0.95179623605256 0.89505714926504 0.10368984807559 15.999 > 62 63 O 0.04820376394744 0.39505714926504 0.39631015192441 15.999 > 63 64 O 0.54820376394744 0.10494285073496 0.60368984807559 15.999 > 64 65 H 0.55049673368135 0.12549073435955 0.26016101531603 1.008 > 65 66 H 0.05049673368135 0.37450926564045 0.73983898468397 1.008 > 66 67 H 0.94950326631865 0.87450926564045 0.76016101531603 1.008 > 67 68 H 0.44950326631865 0.62549073435955 0.23983898468397 1.008 > 68 69 H 0.44950326631865 0.87450926564045 0.73983898468397 1.008 > 69 70 H 0.94950326631865 0.62549073435955 0.26016101531603 1.008 > 70 71 H 0.05049673368135 0.12549073435955 0.23983898468397 1.008 > 71 72 H 0.55049673368135 0.37450926564045 0.76016101531603 1.008 > 72 73 H 0.60159947538938 0.32267816544991 0.06310373557574 1.008 > 73 74 H 0.10159947538938 0.17732183455009 0.93689626442426 1.008 > 74 75 H 0.89840052461062 0.67732183455009 0.56310373557574 1.008 > 75 76 H 0.39840052461062 0.82267816544991 0.43689626442426 1.008 > 76 77 H 0.39840052461062 0.67732183455009 0.93689626442426 1.008 > 77 78 H 0.89840052461062 0.82267816544991 0.06310373557574 1.008 > 78 79 H 0.10159947538938 0.32267816544991 0.43689626442426 1.008 > 79 80 H 0.60159947538938 0.17732183455009 0.56310373557574 1.008 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9855097 0.0000000 0.0000000 0.0000000 2.9217771 0.0000000 0.0000000 0.0000000 2.8927694 -------------------------- Born effective charges -------------------------- 1 Ca 2.2681599 -0.0209153 0.0964250 -0.0777199 2.3528910 0.0391771 0.1561552 0.0623158 2.2474693 2 Ca 2.2681599 0.0209153 -0.0964250 0.0777199 2.3528910 0.0391771 -0.1561552 0.0623158 2.2474693 3 Ca 2.2681599 -0.0209153 -0.0964250 -0.0777199 2.3528910 -0.0391771 -0.1561552 -0.0623158 2.2474693 4 Ca 2.2681599 0.0209153 0.0964250 0.0777199 2.3528910 -0.0391771 0.1561552 -0.0623158 2.2474693 5 Ca 2.2681599 -0.0209153 0.0964250 -0.0777199 2.3528910 0.0391771 0.1561552 0.0623158 2.2474693 6 Ca 2.2681599 0.0209153 -0.0964250 0.0777199 2.3528910 0.0391771 -0.1561552 0.0623158 2.2474693 7 Ca 2.2681599 -0.0209153 -0.0964250 -0.0777199 2.3528910 -0.0391771 -0.1561552 -0.0623158 2.2474693 8 Ca 2.2681599 0.0209153 0.0964250 0.0777199 2.3528910 -0.0391771 0.1561552 -0.0623158 2.2474693 9 Ca 2.2785672 -0.0593118 0.0040600 -0.0495158 2.5662975 -0.0730691 0.0385553 -0.1356639 2.4363431 10 Ca 2.2785672 0.0593118 -0.0040600 0.0495158 2.5662975 -0.0730691 -0.0385553 -0.1356639 2.4363431 11 Ca 2.2785672 -0.0593118 -0.0040600 -0.0495158 2.5662975 0.0730691 -0.0385553 0.1356639 2.4363431 12 Ca 2.2785672 0.0593118 0.0040600 0.0495158 2.5662975 0.0730691 0.0385553 0.1356639 2.4363431 13 Ca 2.2785672 -0.0593118 0.0040600 -0.0495158 2.5662975 -0.0730691 0.0385553 -0.1356639 2.4363431 14 Ca 2.2785672 0.0593118 -0.0040600 0.0495158 2.5662975 -0.0730691 -0.0385553 -0.1356639 2.4363431 15 Ca 2.2785672 -0.0593118 -0.0040600 -0.0495158 2.5662975 0.0730691 -0.0385553 0.1356639 2.4363431 16 Ca 2.2785672 0.0593118 0.0040600 0.0495158 2.5662975 0.0730691 0.0385553 0.1356639 2.4363431 17 Si 3.0485538 0.0161013 -0.1917098 -0.1675845 2.8109405 -0.0094567 -0.1764114 -0.0264727 2.8599009 18 Si 3.0485538 -0.0161013 0.1917098 0.1675845 2.8109405 -0.0094567 0.1764114 -0.0264727 2.8599009 19 Si 3.0485538 0.0161013 0.1917098 -0.1675845 2.8109405 0.0094567 0.1764114 0.0264727 2.8599009 20 Si 3.0485538 -0.0161013 -0.1917098 0.1675845 2.8109405 0.0094567 -0.1764114 0.0264727 2.8599009 21 Si 3.0485538 0.0161013 -0.1917098 -0.1675845 2.8109405 -0.0094567 -0.1764114 -0.0264727 2.8599009 22 Si 3.0485538 -0.0161013 0.1917098 0.1675845 2.8109405 -0.0094567 0.1764114 -0.0264727 2.8599009 23 Si 3.0485538 0.0161013 0.1917098 -0.1675845 2.8109405 0.0094567 0.1764114 0.0264727 2.8599009 24 Si 3.0485538 -0.0161013 -0.1917098 0.1675845 2.8109405 0.0094567 -0.1764114 0.0264727 2.8599009 25 O -1.7521734 0.1338093 -0.1667393 0.1673708 -1.8838010 0.2695664 -0.2080601 0.2827334 -1.9016856 26 O -1.7521734 -0.1338093 0.1667393 -0.1673708 -1.8838010 0.2695664 0.2080601 0.2827334 -1.9016856 27 O -1.7521734 0.1338093 0.1667393 0.1673708 -1.8838010 -0.2695664 0.2080601 -0.2827334 -1.9016856 28 O -1.7521734 -0.1338093 -0.1667393 -0.1673708 -1.8838010 -0.2695664 -0.2080601 -0.2827334 -1.9016856 29 O -1.7521734 0.1338093 -0.1667393 0.1673708 -1.8838010 0.2695664 -0.2080601 0.2827334 -1.9016856 30 O -1.7521734 -0.1338093 0.1667393 -0.1673708 -1.8838010 0.2695664 0.2080601 0.2827334 -1.9016856 31 O -1.7521734 0.1338093 0.1667393 0.1673708 -1.8838010 -0.2695664 0.2080601 -0.2827334 -1.9016856 32 O -1.7521734 -0.1338093 -0.1667393 -0.1673708 -1.8838010 -0.2695664 -0.2080601 -0.2827334 -1.9016856 33 O -2.3837957 -0.0752615 -0.1711843 -0.0815003 -1.4540968 -0.2389298 -0.1913300 -0.1974898 -1.3693540 34 O -2.3837957 0.0752615 0.1711843 0.0815003 -1.4540968 -0.2389298 0.1913300 -0.1974898 -1.3693540 35 O -2.3837957 -0.0752615 0.1711843 -0.0815003 -1.4540968 0.2389298 0.1913300 0.1974898 -1.3693540 36 O -2.3837957 0.0752615 -0.1711843 0.0815003 -1.4540968 0.2389298 -0.1913300 0.1974898 -1.3693540 37 O -2.3837957 -0.0752615 -0.1711843 -0.0815003 -1.4540968 -0.2389298 -0.1913300 -0.1974898 -1.3693540 38 O -2.3837957 0.0752615 0.1711843 0.0815003 -1.4540968 -0.2389298 0.1913300 -0.1974898 -1.3693540 39 O -2.3837957 -0.0752615 0.1711843 -0.0815003 -1.4540968 0.2389298 0.1913300 0.1974898 -1.3693540 40 O -2.3837957 0.0752615 -0.1711843 0.0815003 -1.4540968 0.2389298 -0.1913300 0.1974898 -1.3693540 41 O -2.1706922 -0.0300573 0.2946450 -0.0691633 -1.6744123 0.0665176 0.3476728 0.0273070 -1.8207393 42 O -2.1706922 0.0300573 -0.2946450 0.0691633 -1.6744123 0.0665176 -0.3476728 0.0273070 -1.8207393 43 O -2.1706922 -0.0300573 -0.2946450 -0.0691633 -1.6744123 -0.0665176 -0.3476728 -0.0273070 -1.8207393 44 O -2.1706922 0.0300573 0.2946450 0.0691633 -1.6744123 -0.0665176 0.3476728 -0.0273070 -1.8207393 45 O -2.1706922 -0.0300573 0.2946450 -0.0691633 -1.6744123 0.0665176 0.3476728 0.0273070 -1.8207393 46 O -2.1706922 0.0300573 -0.2946450 0.0691633 -1.6744123 0.0665176 -0.3476728 0.0273070 -1.8207393 47 O -2.1706922 -0.0300573 -0.2946450 -0.0691633 -1.6744123 -0.0665176 -0.3476728 -0.0273070 -1.8207393 48 O -2.1706922 0.0300573 0.2946450 0.0691633 -1.6744123 -0.0665176 0.3476728 -0.0273070 -1.8207393 49 O -1.8178356 0.1836526 0.0306756 0.2498541 -2.2003738 -0.2898567 0.0291443 -0.3115954 -1.5287379 50 O -1.8178356 -0.1836526 -0.0306756 -0.2498541 -2.2003738 -0.2898567 -0.0291443 -0.3115954 -1.5287379 51 O -1.8178356 0.1836526 -0.0306756 0.2498541 -2.2003738 0.2898567 -0.0291443 0.3115954 -1.5287379 52 O -1.8178356 -0.1836526 0.0306756 -0.2498541 -2.2003738 0.2898567 0.0291443 0.3115954 -1.5287379 53 O -1.8178356 0.1836526 0.0306756 0.2498541 -2.2003738 -0.2898567 0.0291443 -0.3115954 -1.5287379 54 O -1.8178356 -0.1836526 -0.0306756 -0.2498541 -2.2003738 -0.2898567 -0.0291443 -0.3115954 -1.5287379 55 O -1.8178356 0.1836526 -0.0306756 0.2498541 -2.2003738 0.2898567 -0.0291443 0.3115954 -1.5287379 56 O -1.8178356 -0.1836526 0.0306756 -0.2498541 -2.2003738 0.2898567 0.0291443 0.3115954 -1.5287379 57 O -1.5585819 -0.0663033 0.0783231 -0.0841908 -1.4513941 0.1074853 0.1023560 0.0546261 -1.7331554 58 O -1.5585819 0.0663033 -0.0783231 0.0841908 -1.4513941 0.1074853 -0.1023560 0.0546261 -1.7331554 59 O -1.5585819 -0.0663033 -0.0783231 -0.0841908 -1.4513941 -0.1074853 -0.1023560 -0.0546261 -1.7331554 60 O -1.5585819 0.0663033 0.0783231 0.0841908 -1.4513941 -0.1074853 0.1023560 -0.0546261 -1.7331554 61 O -1.5585819 -0.0663033 0.0783231 -0.0841908 -1.4513941 0.1074853 0.1023560 0.0546261 -1.7331554 62 O -1.5585819 0.0663033 -0.0783231 0.0841908 -1.4513941 0.1074853 -0.1023560 0.0546261 -1.7331554 63 O -1.5585819 -0.0663033 -0.0783231 -0.0841908 -1.4513941 -0.1074853 -0.1023560 -0.0546261 -1.7331554 64 O -1.5585819 0.0663033 0.0783231 0.0841908 -1.4513941 -0.1074853 0.1023560 -0.0546261 -1.7331554 65 H 1.6546158 -0.6903050 -0.1451138 -0.4881427 0.5333688 0.0780022 0.0027119 0.0186879 0.2695477 66 H 1.6546158 0.6903050 0.1451138 0.4881427 0.5333688 0.0780022 -0.0027119 0.0186879 0.2695477 67 H 1.6546158 -0.6903050 0.1451138 -0.4881427 0.5333688 -0.0780022 -0.0027119 -0.0186879 0.2695477 68 H 1.6546158 0.6903050 -0.1451138 0.4881427 0.5333688 -0.0780022 0.0027119 -0.0186879 0.2695477 69 H 1.6546158 -0.6903050 -0.1451138 -0.4881427 0.5333688 0.0780022 0.0027119 0.0186879 0.2695477 70 H 1.6546158 0.6903050 0.1451138 0.4881427 0.5333688 0.0780022 -0.0027119 0.0186879 0.2695477 71 H 1.6546158 -0.6903050 0.1451138 -0.4881427 0.5333688 -0.0780022 -0.0027119 -0.0186879 0.2695477 72 H 1.6546158 0.6903050 -0.1451138 0.4881427 0.5333688 -0.0780022 0.0027119 -0.0186879 0.2695477 73 H 0.4331821 -0.1107781 -0.1723224 -0.0987471 0.4005801 0.1026976 -0.1750393 0.1477947 0.5404111 74 H 0.4331821 0.1107781 0.1723224 0.0987471 0.4005801 0.1026976 0.1750393 0.1477947 0.5404111 75 H 0.4331821 -0.1107781 0.1723224 -0.0987471 0.4005801 -0.1026976 0.1750393 -0.1477947 0.5404111 76 H 0.4331821 0.1107781 -0.1723224 0.0987471 0.4005801 -0.1026976 -0.1750393 -0.1477947 0.5404111 77 H 0.4331821 -0.1107781 -0.1723224 -0.0987471 0.4005801 0.1026976 -0.1750393 0.1477947 0.5404111 78 H 0.4331821 0.1107781 0.1723224 0.0987471 0.4005801 0.1026976 0.1750393 0.1477947 0.5404111 79 H 0.4331821 -0.1107781 0.1723224 -0.0987471 0.4005801 -0.1026976 0.1750393 -0.1477947 0.5404111 80 H 0.4331821 0.1107781 -0.1723224 0.0987471 0.4005801 -0.1026976 -0.1750393 -0.1477947 0.5404111 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zxy) -0.00000000 (xzy) -0.00000000 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:15:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:15:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.051301219999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.654682899999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.395446170000000 Atomic positions (fractional): 1 Ca 0.83089636838853 0.07011366584030 0.01973005747549 40.078 2 Ca 0.33089636838853 0.42988633415970 0.98026994252452 40.078 3 Ca 0.66910363161147 0.92988633415970 0.51973005747548 40.078 4 Ca 0.16910363161147 0.57011366584030 0.48026994252451 40.078 5 Ca 0.16910363161147 0.92988633415970 0.98026994252452 40.078 6 Ca 0.66910363161147 0.57011366584030 0.01973005747549 40.078 7 Ca 0.33089636838853 0.07011366584030 0.48026994252451 40.078 8 Ca 0.83089636838853 0.42988633415970 0.51973005747548 40.078 9 Ca 0.99426782529048 0.39038985433847 0.15646458941826 40.078 10 Ca 0.49426782529048 0.10961014566153 0.84353541058174 40.078 11 Ca 0.50573217470952 0.60961014566153 0.65646458941826 40.078 12 Ca 0.00573217470952 0.89038985433847 0.34353541058174 40.078 13 Ca 0.00573217470952 0.60961014566153 0.84353541058174 40.078 14 Ca 0.50573217470952 0.89038985433847 0.15646458941826 40.078 15 Ca 0.49426782529048 0.39038985433847 0.34353541058174 40.078 16 Ca 0.99426782529048 0.10961014566153 0.65646458941826 40.078 17 Si 0.78426672258377 0.15853210320430 0.33409650546956 28.085 18 Si 0.28426672258377 0.34146789679570 0.66590349453044 28.085 19 Si 0.71573327741623 0.84146789679570 0.83409650546956 28.085 20 Si 0.21573327741623 0.65853210320430 0.16590349453044 28.085 21 Si 0.21573327741623 0.84146789679570 0.66590349453044 28.085 22 Si 0.71573327741623 0.65853210320430 0.33409650546956 28.085 23 Si 0.28426672258377 0.15853210320430 0.16590349453044 28.085 24 Si 0.78426672258377 0.34146789679570 0.83409650546956 28.085 25 O 0.86055225904612 0.06181900206464 0.44765490229298 15.999 26 O 0.36055225904612 0.43818099793536 0.55234509770702 15.999 27 O 0.63944774095388 0.93818099793536 0.94765490229298 15.999 28 O 0.13944774095388 0.56181900206464 0.05234509770702 15.999 29 O 0.13944774095388 0.93818099793536 0.55234509770702 15.999 30 O 0.63944774095388 0.56181900206464 0.44765490229298 15.999 31 O 0.36055225904612 0.06181900206464 0.05234509770702 15.999 32 O 0.86055225904612 0.43818099793536 0.94765490229298 15.999 33 O 0.64972694635414 0.07499411600257 0.24958339589174 15.999 34 O 0.14972694635414 0.42500588399743 0.75041660410826 15.999 35 O 0.85027305364586 0.92500588399743 0.74958339589174 15.999 36 O 0.35027305364586 0.57499411600257 0.25041660410826 15.999 37 O 0.35027305364586 0.92500588399743 0.75041660410826 15.999 38 O 0.85027305364586 0.57499411600257 0.24958339589174 15.999 39 O 0.14972694635414 0.07499411600257 0.25041660410826 15.999 40 O 0.64972694635414 0.42500588399743 0.74958339589174 15.999 41 O 0.90450520488164 0.19130422547520 0.20905158337311 15.999 42 O 0.40450520488164 0.30869577452480 0.79094841662688 15.999 43 O 0.59549479511836 0.80869577452480 0.70905158337312 15.999 44 O 0.09549479511836 0.69130422547520 0.29094841662688 15.999 45 O 0.09549479511836 0.80869577452480 0.79094841662688 15.999 46 O 0.59549479511836 0.69130422547520 0.20905158337311 15.999 47 O 0.40450520488164 0.19130422547520 0.29094841662688 15.999 48 O 0.90450520488164 0.30869577452480 0.70905158337312 15.999 49 O 0.70357498433889 0.27888383436880 0.40538923228392 15.999 50 O 0.20357498433889 0.22111616563120 0.59461076771608 15.999 51 O 0.79642501566111 0.72111616563120 0.90538923228392 15.999 52 O 0.29642501566111 0.77888383436880 0.09461076771608 15.999 53 O 0.29642501566111 0.72111616563120 0.59461076771608 15.999 54 O 0.79642501566111 0.77888383436880 0.40538923228392 15.999 55 O 0.20357498433889 0.27888383436880 0.09461076771608 15.999 56 O 0.70357498433889 0.22111616563120 0.90538923228392 15.999 57 O 0.54820376394744 0.39505714926504 0.10368984807559 15.999 58 O 0.04820376394744 0.10494285073496 0.89631015192441 15.999 59 O 0.95179623605256 0.60494285073496 0.60368984807559 15.999 60 O 0.45179623605256 0.89505714926504 0.39631015192441 15.999 61 O 0.45179623605256 0.60494285073496 0.89631015192441 15.999 62 O 0.95179623605256 0.89505714926504 0.10368984807559 15.999 63 O 0.04820376394744 0.39505714926504 0.39631015192441 15.999 64 O 0.54820376394744 0.10494285073496 0.60368984807559 15.999 65 H 0.55049673368135 0.12549073435955 0.26016101531603 1.008 66 H 0.05049673368135 0.37450926564045 0.73983898468397 1.008 67 H 0.94950326631865 0.87450926564045 0.76016101531603 1.008 68 H 0.44950326631865 0.62549073435955 0.23983898468397 1.008 69 H 0.44950326631865 0.87450926564045 0.73983898468397 1.008 70 H 0.94950326631865 0.62549073435955 0.26016101531603 1.008 71 H 0.05049673368135 0.12549073435955 0.23983898468397 1.008 72 H 0.55049673368135 0.37450926564045 0.76016101531603 1.008 73 H 0.60159947538938 0.32267816544991 0.06310373557574 1.008 74 H 0.10159947538938 0.17732183455009 0.93689626442426 1.008 75 H 0.89840052461062 0.67732183455009 0.56310373557574 1.008 76 H 0.39840052461062 0.82267816544991 0.43689626442426 1.008 77 H 0.39840052461062 0.67732183455009 0.93689626442426 1.008 78 H 0.89840052461062 0.82267816544991 0.06310373557574 1.008 79 H 0.10159947538938 0.32267816544991 0.43689626442426 1.008 80 H 0.60159947538938 0.17732183455009 0.56310373557574 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.051301219999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.654682899999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.395446170000000 Atomic positions (fractional): 1 Ca 0.83089636838853 0.07011366584030 0.01973005747549 40.078 > 1 2 Ca 0.33089636838853 0.42988633415970 0.98026994252452 40.078 > 2 3 Ca 0.66910363161147 0.92988633415970 0.51973005747548 40.078 > 3 4 Ca 0.16910363161147 0.57011366584030 0.48026994252451 40.078 > 4 5 Ca 0.16910363161147 0.92988633415970 0.98026994252452 40.078 > 5 6 Ca 0.66910363161147 0.57011366584030 0.01973005747549 40.078 > 6 7 Ca 0.33089636838853 0.07011366584030 0.48026994252451 40.078 > 7 8 Ca 0.83089636838853 0.42988633415970 0.51973005747548 40.078 > 8 9 Ca 0.99426782529048 0.39038985433847 0.15646458941826 40.078 > 9 10 Ca 0.49426782529048 0.10961014566153 0.84353541058174 40.078 > 10 11 Ca 0.50573217470952 0.60961014566153 0.65646458941826 40.078 > 11 12 Ca 0.00573217470952 0.89038985433847 0.34353541058174 40.078 > 12 13 Ca 0.00573217470952 0.60961014566153 0.84353541058174 40.078 > 13 14 Ca 0.50573217470952 0.89038985433847 0.15646458941826 40.078 > 14 15 Ca 0.49426782529048 0.39038985433847 0.34353541058174 40.078 > 15 16 Ca 0.99426782529048 0.10961014566153 0.65646458941826 40.078 > 16 17 Si 0.78426672258377 0.15853210320430 0.33409650546956 28.085 > 17 18 Si 0.28426672258377 0.34146789679570 0.66590349453044 28.085 > 18 19 Si 0.71573327741623 0.84146789679570 0.83409650546956 28.085 > 19 20 Si 0.21573327741623 0.65853210320430 0.16590349453044 28.085 > 20 21 Si 0.21573327741623 0.84146789679570 0.66590349453044 28.085 > 21 22 Si 0.71573327741623 0.65853210320430 0.33409650546956 28.085 > 22 23 Si 0.28426672258377 0.15853210320430 0.16590349453044 28.085 > 23 24 Si 0.78426672258377 0.34146789679570 0.83409650546956 28.085 > 24 25 O 0.86055225904612 0.06181900206464 0.44765490229298 15.999 > 25 26 O 0.36055225904612 0.43818099793536 0.55234509770702 15.999 > 26 27 O 0.63944774095388 0.93818099793536 0.94765490229298 15.999 > 27 28 O 0.13944774095388 0.56181900206464 0.05234509770702 15.999 > 28 29 O 0.13944774095388 0.93818099793536 0.55234509770702 15.999 > 29 30 O 0.63944774095388 0.56181900206464 0.44765490229298 15.999 > 30 31 O 0.36055225904612 0.06181900206464 0.05234509770702 15.999 > 31 32 O 0.86055225904612 0.43818099793536 0.94765490229298 15.999 > 32 33 O 0.64972694635414 0.07499411600257 0.24958339589174 15.999 > 33 34 O 0.14972694635414 0.42500588399743 0.75041660410826 15.999 > 34 35 O 0.85027305364586 0.92500588399743 0.74958339589174 15.999 > 35 36 O 0.35027305364586 0.57499411600257 0.25041660410826 15.999 > 36 37 O 0.35027305364586 0.92500588399743 0.75041660410826 15.999 > 37 38 O 0.85027305364586 0.57499411600257 0.24958339589174 15.999 > 38 39 O 0.14972694635414 0.07499411600257 0.25041660410826 15.999 > 39 40 O 0.64972694635414 0.42500588399743 0.74958339589174 15.999 > 40 41 O 0.90450520488164 0.19130422547520 0.20905158337311 15.999 > 41 42 O 0.40450520488164 0.30869577452480 0.79094841662688 15.999 > 42 43 O 0.59549479511836 0.80869577452480 0.70905158337312 15.999 > 43 44 O 0.09549479511836 0.69130422547520 0.29094841662688 15.999 > 44 45 O 0.09549479511836 0.80869577452480 0.79094841662688 15.999 > 45 46 O 0.59549479511836 0.69130422547520 0.20905158337311 15.999 > 46 47 O 0.40450520488164 0.19130422547520 0.29094841662688 15.999 > 47 48 O 0.90450520488164 0.30869577452480 0.70905158337312 15.999 > 48 49 O 0.70357498433889 0.27888383436880 0.40538923228392 15.999 > 49 50 O 0.20357498433889 0.22111616563120 0.59461076771608 15.999 > 50 51 O 0.79642501566111 0.72111616563120 0.90538923228392 15.999 > 51 52 O 0.29642501566111 0.77888383436880 0.09461076771608 15.999 > 52 53 O 0.29642501566111 0.72111616563120 0.59461076771608 15.999 > 53 54 O 0.79642501566111 0.77888383436880 0.40538923228392 15.999 > 54 55 O 0.20357498433889 0.27888383436880 0.09461076771608 15.999 > 55 56 O 0.70357498433889 0.22111616563120 0.90538923228392 15.999 > 56 57 O 0.54820376394744 0.39505714926504 0.10368984807559 15.999 > 57 58 O 0.04820376394744 0.10494285073496 0.89631015192441 15.999 > 58 59 O 0.95179623605256 0.60494285073496 0.60368984807559 15.999 > 59 60 O 0.45179623605256 0.89505714926504 0.39631015192441 15.999 > 60 61 O 0.45179623605256 0.60494285073496 0.89631015192441 15.999 > 61 62 O 0.95179623605256 0.89505714926504 0.10368984807559 15.999 > 62 63 O 0.04820376394744 0.39505714926504 0.39631015192441 15.999 > 63 64 O 0.54820376394744 0.10494285073496 0.60368984807559 15.999 > 64 65 H 0.55049673368135 0.12549073435955 0.26016101531603 1.008 > 65 66 H 0.05049673368135 0.37450926564045 0.73983898468397 1.008 > 66 67 H 0.94950326631865 0.87450926564045 0.76016101531603 1.008 > 67 68 H 0.44950326631865 0.62549073435955 0.23983898468397 1.008 > 68 69 H 0.44950326631865 0.87450926564045 0.73983898468397 1.008 > 69 70 H 0.94950326631865 0.62549073435955 0.26016101531603 1.008 > 70 71 H 0.05049673368135 0.12549073435955 0.23983898468397 1.008 > 71 72 H 0.55049673368135 0.37450926564045 0.76016101531603 1.008 > 72 73 H 0.60159947538938 0.32267816544991 0.06310373557574 1.008 > 73 74 H 0.10159947538938 0.17732183455009 0.93689626442426 1.008 > 74 75 H 0.89840052461062 0.67732183455009 0.56310373557574 1.008 > 75 76 H 0.39840052461062 0.82267816544991 0.43689626442426 1.008 > 76 77 H 0.39840052461062 0.67732183455009 0.93689626442426 1.008 > 77 78 H 0.89840052461062 0.82267816544991 0.06310373557574 1.008 > 78 79 H 0.10159947538938 0.32267816544991 0.43689626442426 1.008 > 79 80 H 0.60159947538938 0.17732183455009 0.56310373557574 1.008 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9855097 0.0000000 0.0000000 0.0000000 2.9217771 0.0000000 0.0000000 0.0000000 2.8927694 -------------------------- Born effective charges -------------------------- 1 Ca 2.2681599 -0.0209153 0.0964250 -0.0777199 2.3528910 0.0391771 0.1561552 0.0623158 2.2474693 2 Ca 2.2681599 0.0209153 -0.0964250 0.0777199 2.3528910 0.0391771 -0.1561552 0.0623158 2.2474693 3 Ca 2.2681599 -0.0209153 -0.0964250 -0.0777199 2.3528910 -0.0391771 -0.1561552 -0.0623158 2.2474693 4 Ca 2.2681599 0.0209153 0.0964250 0.0777199 2.3528910 -0.0391771 0.1561552 -0.0623158 2.2474693 5 Ca 2.2681599 -0.0209153 0.0964250 -0.0777199 2.3528910 0.0391771 0.1561552 0.0623158 2.2474693 6 Ca 2.2681599 0.0209153 -0.0964250 0.0777199 2.3528910 0.0391771 -0.1561552 0.0623158 2.2474693 7 Ca 2.2681599 -0.0209153 -0.0964250 -0.0777199 2.3528910 -0.0391771 -0.1561552 -0.0623158 2.2474693 8 Ca 2.2681599 0.0209153 0.0964250 0.0777199 2.3528910 -0.0391771 0.1561552 -0.0623158 2.2474693 9 Ca 2.2785672 -0.0593118 0.0040600 -0.0495158 2.5662975 -0.0730691 0.0385553 -0.1356639 2.4363431 10 Ca 2.2785672 0.0593118 -0.0040600 0.0495158 2.5662975 -0.0730691 -0.0385553 -0.1356639 2.4363431 11 Ca 2.2785672 -0.0593118 -0.0040600 -0.0495158 2.5662975 0.0730691 -0.0385553 0.1356639 2.4363431 12 Ca 2.2785672 0.0593118 0.0040600 0.0495158 2.5662975 0.0730691 0.0385553 0.1356639 2.4363431 13 Ca 2.2785672 -0.0593118 0.0040600 -0.0495158 2.5662975 -0.0730691 0.0385553 -0.1356639 2.4363431 14 Ca 2.2785672 0.0593118 -0.0040600 0.0495158 2.5662975 -0.0730691 -0.0385553 -0.1356639 2.4363431 15 Ca 2.2785672 -0.0593118 -0.0040600 -0.0495158 2.5662975 0.0730691 -0.0385553 0.1356639 2.4363431 16 Ca 2.2785672 0.0593118 0.0040600 0.0495158 2.5662975 0.0730691 0.0385553 0.1356639 2.4363431 17 Si 3.0485538 0.0161013 -0.1917098 -0.1675845 2.8109405 -0.0094567 -0.1764114 -0.0264727 2.8599009 18 Si 3.0485538 -0.0161013 0.1917098 0.1675845 2.8109405 -0.0094567 0.1764114 -0.0264727 2.8599009 19 Si 3.0485538 0.0161013 0.1917098 -0.1675845 2.8109405 0.0094567 0.1764114 0.0264727 2.8599009 20 Si 3.0485538 -0.0161013 -0.1917098 0.1675845 2.8109405 0.0094567 -0.1764114 0.0264727 2.8599009 21 Si 3.0485538 0.0161013 -0.1917098 -0.1675845 2.8109405 -0.0094567 -0.1764114 -0.0264727 2.8599009 22 Si 3.0485538 -0.0161013 0.1917098 0.1675845 2.8109405 -0.0094567 0.1764114 -0.0264727 2.8599009 23 Si 3.0485538 0.0161013 0.1917098 -0.1675845 2.8109405 0.0094567 0.1764114 0.0264727 2.8599009 24 Si 3.0485538 -0.0161013 -0.1917098 0.1675845 2.8109405 0.0094567 -0.1764114 0.0264727 2.8599009 25 O -1.7521734 0.1338093 -0.1667393 0.1673708 -1.8838010 0.2695664 -0.2080601 0.2827334 -1.9016856 26 O -1.7521734 -0.1338093 0.1667393 -0.1673708 -1.8838010 0.2695664 0.2080601 0.2827334 -1.9016856 27 O -1.7521734 0.1338093 0.1667393 0.1673708 -1.8838010 -0.2695664 0.2080601 -0.2827334 -1.9016856 28 O -1.7521734 -0.1338093 -0.1667393 -0.1673708 -1.8838010 -0.2695664 -0.2080601 -0.2827334 -1.9016856 29 O -1.7521734 0.1338093 -0.1667393 0.1673708 -1.8838010 0.2695664 -0.2080601 0.2827334 -1.9016856 30 O -1.7521734 -0.1338093 0.1667393 -0.1673708 -1.8838010 0.2695664 0.2080601 0.2827334 -1.9016856 31 O -1.7521734 0.1338093 0.1667393 0.1673708 -1.8838010 -0.2695664 0.2080601 -0.2827334 -1.9016856 32 O -1.7521734 -0.1338093 -0.1667393 -0.1673708 -1.8838010 -0.2695664 -0.2080601 -0.2827334 -1.9016856 33 O -2.3837957 -0.0752615 -0.1711843 -0.0815003 -1.4540968 -0.2389298 -0.1913300 -0.1974898 -1.3693540 34 O -2.3837957 0.0752615 0.1711843 0.0815003 -1.4540968 -0.2389298 0.1913300 -0.1974898 -1.3693540 35 O -2.3837957 -0.0752615 0.1711843 -0.0815003 -1.4540968 0.2389298 0.1913300 0.1974898 -1.3693540 36 O -2.3837957 0.0752615 -0.1711843 0.0815003 -1.4540968 0.2389298 -0.1913300 0.1974898 -1.3693540 37 O -2.3837957 -0.0752615 -0.1711843 -0.0815003 -1.4540968 -0.2389298 -0.1913300 -0.1974898 -1.3693540 38 O -2.3837957 0.0752615 0.1711843 0.0815003 -1.4540968 -0.2389298 0.1913300 -0.1974898 -1.3693540 39 O -2.3837957 -0.0752615 0.1711843 -0.0815003 -1.4540968 0.2389298 0.1913300 0.1974898 -1.3693540 40 O -2.3837957 0.0752615 -0.1711843 0.0815003 -1.4540968 0.2389298 -0.1913300 0.1974898 -1.3693540 41 O -2.1706922 -0.0300573 0.2946450 -0.0691633 -1.6744123 0.0665176 0.3476728 0.0273070 -1.8207393 42 O -2.1706922 0.0300573 -0.2946450 0.0691633 -1.6744123 0.0665176 -0.3476728 0.0273070 -1.8207393 43 O -2.1706922 -0.0300573 -0.2946450 -0.0691633 -1.6744123 -0.0665176 -0.3476728 -0.0273070 -1.8207393 44 O -2.1706922 0.0300573 0.2946450 0.0691633 -1.6744123 -0.0665176 0.3476728 -0.0273070 -1.8207393 45 O -2.1706922 -0.0300573 0.2946450 -0.0691633 -1.6744123 0.0665176 0.3476728 0.0273070 -1.8207393 46 O -2.1706922 0.0300573 -0.2946450 0.0691633 -1.6744123 0.0665176 -0.3476728 0.0273070 -1.8207393 47 O -2.1706922 -0.0300573 -0.2946450 -0.0691633 -1.6744123 -0.0665176 -0.3476728 -0.0273070 -1.8207393 48 O -2.1706922 0.0300573 0.2946450 0.0691633 -1.6744123 -0.0665176 0.3476728 -0.0273070 -1.8207393 49 O -1.8178356 0.1836526 0.0306756 0.2498541 -2.2003738 -0.2898567 0.0291443 -0.3115954 -1.5287379 50 O -1.8178356 -0.1836526 -0.0306756 -0.2498541 -2.2003738 -0.2898567 -0.0291443 -0.3115954 -1.5287379 51 O -1.8178356 0.1836526 -0.0306756 0.2498541 -2.2003738 0.2898567 -0.0291443 0.3115954 -1.5287379 52 O -1.8178356 -0.1836526 0.0306756 -0.2498541 -2.2003738 0.2898567 0.0291443 0.3115954 -1.5287379 53 O -1.8178356 0.1836526 0.0306756 0.2498541 -2.2003738 -0.2898567 0.0291443 -0.3115954 -1.5287379 54 O -1.8178356 -0.1836526 -0.0306756 -0.2498541 -2.2003738 -0.2898567 -0.0291443 -0.3115954 -1.5287379 55 O -1.8178356 0.1836526 -0.0306756 0.2498541 -2.2003738 0.2898567 -0.0291443 0.3115954 -1.5287379 56 O -1.8178356 -0.1836526 0.0306756 -0.2498541 -2.2003738 0.2898567 0.0291443 0.3115954 -1.5287379 57 O -1.5585819 -0.0663033 0.0783231 -0.0841908 -1.4513941 0.1074853 0.1023560 0.0546261 -1.7331554 58 O -1.5585819 0.0663033 -0.0783231 0.0841908 -1.4513941 0.1074853 -0.1023560 0.0546261 -1.7331554 59 O -1.5585819 -0.0663033 -0.0783231 -0.0841908 -1.4513941 -0.1074853 -0.1023560 -0.0546261 -1.7331554 60 O -1.5585819 0.0663033 0.0783231 0.0841908 -1.4513941 -0.1074853 0.1023560 -0.0546261 -1.7331554 61 O -1.5585819 -0.0663033 0.0783231 -0.0841908 -1.4513941 0.1074853 0.1023560 0.0546261 -1.7331554 62 O -1.5585819 0.0663033 -0.0783231 0.0841908 -1.4513941 0.1074853 -0.1023560 0.0546261 -1.7331554 63 O -1.5585819 -0.0663033 -0.0783231 -0.0841908 -1.4513941 -0.1074853 -0.1023560 -0.0546261 -1.7331554 64 O -1.5585819 0.0663033 0.0783231 0.0841908 -1.4513941 -0.1074853 0.1023560 -0.0546261 -1.7331554 65 H 1.6546158 -0.6903050 -0.1451138 -0.4881427 0.5333688 0.0780022 0.0027119 0.0186879 0.2695477 66 H 1.6546158 0.6903050 0.1451138 0.4881427 0.5333688 0.0780022 -0.0027119 0.0186879 0.2695477 67 H 1.6546158 -0.6903050 0.1451138 -0.4881427 0.5333688 -0.0780022 -0.0027119 -0.0186879 0.2695477 68 H 1.6546158 0.6903050 -0.1451138 0.4881427 0.5333688 -0.0780022 0.0027119 -0.0186879 0.2695477 69 H 1.6546158 -0.6903050 -0.1451138 -0.4881427 0.5333688 0.0780022 0.0027119 0.0186879 0.2695477 70 H 1.6546158 0.6903050 0.1451138 0.4881427 0.5333688 0.0780022 -0.0027119 0.0186879 0.2695477 71 H 1.6546158 -0.6903050 0.1451138 -0.4881427 0.5333688 -0.0780022 -0.0027119 -0.0186879 0.2695477 72 H 1.6546158 0.6903050 -0.1451138 0.4881427 0.5333688 -0.0780022 0.0027119 -0.0186879 0.2695477 73 H 0.4331821 -0.1107781 -0.1723224 -0.0987471 0.4005801 0.1026976 -0.1750393 0.1477947 0.5404111 74 H 0.4331821 0.1107781 0.1723224 0.0987471 0.4005801 0.1026976 0.1750393 0.1477947 0.5404111 75 H 0.4331821 -0.1107781 0.1723224 -0.0987471 0.4005801 -0.1026976 0.1750393 -0.1477947 0.5404111 76 H 0.4331821 0.1107781 -0.1723224 0.0987471 0.4005801 -0.1026976 -0.1750393 -0.1477947 0.5404111 77 H 0.4331821 -0.1107781 -0.1723224 -0.0987471 0.4005801 0.1026976 -0.1750393 0.1477947 0.5404111 78 H 0.4331821 0.1107781 0.1723224 0.0987471 0.4005801 0.1026976 0.1750393 0.1477947 0.5404111 79 H 0.4331821 -0.1107781 0.1723224 -0.0987471 0.4005801 -0.1026976 0.1750393 -0.1477947 0.5404111 80 H 0.4331821 0.1107781 -0.1723224 0.0987471 0.4005801 -0.1026976 -0.1750393 -0.1477947 0.5404111 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zxy) -0.00000000 (xzy) -0.00000000 (xyz) 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 ... [ 6 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.43, Number of G-points: 283, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.551 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.714 ( 0.000 0.000 0.000) 0.000 2.735 ( 0.000 0.000 0.000) 0.000 2.987 ( 0.000 0.000 0.000) 0.000 2.987 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 3.430 ( 0.000 0.000 0.000) 0.000 3.509 ( 0.000 0.000 0.000) 0.000 3.510 ( 0.000 0.000 0.000) 0.000 3.598 ( 0.000 0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 3.840 ( 0.000 0.000 0.000) 0.000 3.852 ( 0.000 0.000 0.000) 0.000 3.859 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 3.947 ( 0.000 0.000 0.000) 0.000 4.054 ( 0.000 0.000 0.000) 0.000 4.259 ( 0.000 0.000 0.000) 0.000 4.416 ( 0.000 0.000 0.000) 0.000 4.468 ( 0.000 0.000 0.000) 0.000 4.491 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 4.788 ( 0.000 0.000 0.000) 0.000 4.889 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 4.940 ( 0.000 0.000 0.000) 0.000 5.021 ( 0.000 0.000 0.000) 0.000 5.034 ( 0.000 0.000 0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 5.297 ( 0.000 0.000 0.000) 0.000 5.319 ( 0.000 0.000 0.000) 0.000 5.368 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.615 ( 0.000 0.000 0.000) 0.000 5.689 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 0.000) 0.000 5.747 ( 0.000 0.000 0.000) 0.000 5.810 ( 0.000 0.000 0.000) 0.000 5.970 ( 0.000 0.000 0.000) 0.000 6.055 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 0.000) 0.000 6.126 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.250 ( 0.000 0.000 0.000) 0.000 6.254 ( 0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.475 ( 0.000 0.000 0.000) 0.000 6.582 ( 0.000 0.000 0.000) 0.000 6.600 ( 0.000 0.000 0.000) 0.000 6.615 ( 0.000 0.000 0.000) 0.000 6.742 ( 0.000 0.000 0.000) 0.000 6.750 ( 0.000 0.000 0.000) 0.000 6.821 ( 0.000 0.000 0.000) 0.000 6.882 ( 0.000 0.000 0.000) 0.000 6.913 ( 0.000 0.000 0.000) 0.000 7.011 ( 0.000 0.000 0.000) 0.000 7.027 ( 0.000 0.000 0.000) 0.000 7.116 ( 0.000 0.000 0.000) 0.000 7.162 ( 0.000 0.000 0.000) 0.000 7.163 ( 0.000 0.000 0.000) 0.000 7.287 ( 0.000 0.000 0.000) 0.000 7.336 ( 0.000 0.000 0.000) 0.000 7.368 ( 0.000 0.000 0.000) 0.000 7.540 ( 0.000 0.000 0.000) 0.000 7.706 ( 0.000 0.000 0.000) 0.000 7.905 ( 0.000 0.000 0.000) 0.000 7.926 ( 0.000 0.000 0.000) 0.000 7.969 ( 0.000 0.000 0.000) 0.000 7.989 ( 0.000 0.000 0.000) 0.000 8.025 ( 0.000 0.000 0.000) 0.000 8.040 ( 0.000 0.000 0.000) 0.000 8.160 ( 0.000 0.000 0.000) 0.000 8.282 ( 0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.455 ( 0.000 0.000 0.000) 0.000 8.491 ( 0.000 0.000 0.000) 0.000 8.557 ( 0.000 0.000 0.000) 0.000 8.568 ( 0.000 0.000 0.000) 0.000 8.732 ( 0.000 0.000 0.000) 0.000 8.891 ( 0.000 0.000 0.000) 0.000 9.021 ( 0.000 0.000 0.000) 0.000 9.069 ( 0.000 0.000 0.000) 0.000 9.170 ( 0.000 0.000 0.000) 0.000 9.260 ( 0.000 0.000 0.000) 0.000 9.367 ( 0.000 0.000 0.000) 0.000 9.434 ( 0.000 0.000 0.000) 0.000 9.450 ( 0.000 0.000 0.000) 0.000 9.580 ( 0.000 0.000 0.000) 0.000 9.589 ( 0.000 0.000 0.000) 0.000 9.627 ( 0.000 0.000 0.000) 0.000 9.657 ( 0.000 0.000 0.000) 0.000 9.671 ( 0.000 0.000 0.000) 0.000 9.676 ( 0.000 0.000 0.000) 0.000 9.680 ( 0.000 0.000 0.000) 0.000 9.943 ( 0.000 0.000 0.000) 0.000 10.016 ( 0.000 0.000 0.000) 0.000 10.168 ( 0.000 0.000 0.000) 0.000 10.176 ( 0.000 0.000 0.000) 0.000 10.196 ( 0.000 0.000 0.000) 0.000 10.300 ( 0.000 0.000 0.000) 0.000 10.301 ( 0.000 0.000 0.000) 0.000 10.325 ( 0.000 0.000 0.000) 0.000 10.493 ( 0.000 0.000 0.000) 0.000 10.575 ( 0.000 0.000 0.000) 0.000 10.806 ( 0.000 0.000 0.000) 0.000 10.816 ( 0.000 0.000 0.000) 0.000 10.817 ( 0.000 0.000 0.000) 0.000 10.962 ( 0.000 0.000 0.000) 0.000 11.089 ( 0.000 0.000 0.000) 0.000 11.425 ( 0.000 0.000 0.000) 0.000 11.482 ( 0.000 0.000 0.000) 0.000 11.483 ( 0.000 0.000 0.000) 0.000 11.662 ( 0.000 0.000 0.000) 0.000 11.674 ( 0.000 0.000 0.000) 0.000 11.686 ( 0.000 0.000 0.000) 0.000 11.726 ( 0.000 0.000 0.000) 0.000 11.760 ( 0.000 0.000 0.000) 0.000 11.780 ( 0.000 0.000 0.000) 0.000 12.069 ( 0.000 0.000 0.000) 0.000 12.132 ( 0.000 0.000 0.000) 0.000 12.294 ( 0.000 0.000 0.000) 0.000 12.448 ( 0.000 0.000 0.000) 0.000 12.569 ( 0.000 0.000 0.000) 0.000 12.714 ( 0.000 0.000 0.000) 0.000 12.855 ( 0.000 0.000 0.000) 0.000 13.105 ( 0.000 0.000 0.000) 0.000 13.511 ( 0.000 0.000 0.000) 0.000 13.669 ( 0.000 0.000 0.000) 0.000 13.706 ( 0.000 0.000 0.000) 0.000 13.835 ( 0.000 0.000 0.000) 0.000 13.902 ( 0.000 0.000 0.000) 0.000 13.936 ( 0.000 0.000 0.000) 0.000 14.016 ( 0.000 0.000 0.000) 0.000 14.054 ( 0.000 0.000 0.000) 0.000 14.140 ( 0.000 0.000 0.000) 0.000 14.220 ( 0.000 0.000 0.000) 0.000 14.361 ( 0.000 0.000 0.000) 0.000 14.442 ( 0.000 0.000 0.000) 0.000 14.605 ( 0.000 0.000 0.000) 0.000 14.746 ( 0.000 0.000 0.000) 0.000 14.816 ( 0.000 0.000 0.000) 0.000 14.873 ( 0.000 0.000 0.000) 0.000 14.928 ( 0.000 0.000 0.000) 0.000 14.943 ( 0.000 0.000 0.000) 0.000 14.996 ( 0.000 0.000 0.000) 0.000 15.206 ( 0.000 0.000 0.000) 0.000 15.238 ( 0.000 0.000 0.000) 0.000 15.306 ( 0.000 0.000 0.000) 0.000 15.466 ( 0.000 0.000 0.000) 0.000 15.809 ( 0.000 0.000 0.000) 0.000 21.680 ( 0.000 0.000 0.000) 0.000 21.689 ( 0.000 0.000 0.000) 0.000 21.719 ( 0.000 0.000 0.000) 0.000 21.741 ( 0.000 0.000 0.000) 0.000 21.874 ( 0.000 0.000 0.000) 0.000 22.044 ( 0.000 0.000 0.000) 0.000 22.220 ( 0.000 0.000 0.000) 0.000 22.268 ( 0.000 0.000 0.000) 0.000 22.324 ( 0.000 0.000 0.000) 0.000 22.371 ( 0.000 0.000 0.000) 0.000 22.565 ( 0.000 0.000 0.000) 0.000 22.669 ( 0.000 0.000 0.000) 0.000 22.691 ( 0.000 0.000 0.000) 0.000 22.708 ( 0.000 0.000 0.000) 0.000 22.791 ( 0.000 0.000 0.000) 0.000 22.883 ( 0.000 0.000 0.000) 0.000 23.100 ( 0.000 0.000 0.000) 0.000 23.126 ( 0.000 0.000 0.000) 0.000 23.140 ( 0.000 0.000 0.000) 0.000 23.174 ( 0.000 0.000 0.000) 0.000 23.197 ( 0.000 0.000 0.000) 0.000 23.312 ( 0.000 0.000 0.000) 0.000 23.777 ( 0.000 0.000 0.000) 0.000 23.997 ( 0.000 0.000 0.000) 0.000 24.907 ( 0.000 0.000 0.000) 0.000 24.981 ( 0.000 0.000 0.000) 0.000 25.157 ( 0.000 0.000 0.000) 0.000 25.195 ( 0.000 0.000 0.000) 0.000 25.353 ( 0.000 0.000 0.000) 0.000 25.408 ( 0.000 0.000 0.000) 0.000 25.775 ( 0.000 0.000 0.000) 0.000 26.069 ( 0.000 0.000 0.000) 0.000 26.622 ( 0.000 0.000 0.000) 0.000 26.689 ( 0.000 0.000 0.000) 0.000 26.972 ( 0.000 0.000 0.000) 0.000 27.034 ( 0.000 0.000 0.000) 0.000 27.088 ( 0.000 0.000 0.000) 0.000 27.357 ( 0.000 0.000 0.000) 0.000 27.386 ( 0.000 0.000 0.000) 0.000 27.447 ( 0.000 0.000 0.000) 0.000 28.254 ( 0.000 0.000 0.000) 0.000 28.508 ( 0.000 0.000 0.000) 0.000 28.556 ( 0.000 0.000 0.000) 0.000 28.577 ( 0.000 0.000 0.000) 0.000 28.631 ( 0.000 0.000 0.000) 0.000 28.882 ( 0.000 0.000 0.000) 0.000 29.734 ( 0.000 0.000 0.000) 0.000 29.753 ( 0.000 0.000 0.000) 0.000 30.724 ( 0.000 0.000 0.000) 0.000 30.819 ( 0.000 0.000 0.000) 0.000 30.837 ( 0.000 0.000 0.000) 0.000 30.899 ( 0.000 0.000 0.000) 0.000 30.977 ( 0.000 0.000 0.000) 0.000 30.982 ( 0.000 0.000 0.000) 0.000 31.045 ( 0.000 0.000 0.000) 0.000 31.413 ( 0.000 0.000 0.000) 0.000 39.577 ( 0.000 0.000 0.000) 0.000 39.608 ( 0.000 0.000 0.000) 0.000 39.690 ( 0.000 0.000 0.000) 0.000 39.697 ( 0.000 0.000 0.000) 0.000 39.739 ( 0.000 0.000 0.000) 0.000 39.770 ( 0.000 0.000 0.000) 0.000 39.820 ( 0.000 0.000 0.000) 0.000 39.878 ( 0.000 0.000 0.000) 0.000 69.886 ( 0.000 0.000 0.000) 0.000 69.969 ( 0.000 0.000 0.000) 0.000 70.297 ( 0.000 0.000 0.000) 0.000 70.360 ( 0.000 0.000 0.000) 0.000 72.107 ( 0.000 0.000 0.000) 0.000 72.204 ( 0.000 0.000 0.000) 0.000 72.223 ( 0.000 0.000 0.000) 0.000 73.238 ( 0.000 0.000 0.000) 0.000 105.096 ( 0.000 0.000 0.000) 0.000 105.108 ( 0.000 0.000 0.000) 0.000 105.148 ( 0.000 0.000 0.000) 0.000 105.160 ( 0.000 0.000 0.000) 0.000 105.198 ( 0.000 0.000 0.000) 0.000 105.206 ( 0.000 0.000 0.000) 0.000 105.260 ( 0.000 0.000 0.000) 0.000 105.308 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 34.189 0.000 0.000) 34.189 0.662 ( 36.016 0.000 0.000) 36.016 1.072 ( 54.104 0.000 0.000) 54.104 2.382 ( -14.313 0.000 0.000) 14.313 2.576 ( -2.080 0.000 0.000) 2.080 2.588 ( -13.525 0.000 0.000) 13.525 2.614 ( -12.436 0.000 0.000) 12.436 2.707 ( 1.063 0.000 0.000) 1.063 2.906 ( -8.447 0.000 0.000) 8.447 2.915 ( -6.397 0.000 0.000) 6.397 2.958 ( -7.980 0.000 0.000) 7.980 3.228 ( 2.360 0.000 0.000) 2.360 3.245 ( -13.537 0.000 0.000) 13.537 3.329 ( 11.555 0.000 0.000) 11.555 3.452 ( -26.062 0.000 0.000) 26.062 3.464 ( 14.297 0.000 0.000) 14.297 3.488 ( -1.986 0.000 0.000) 1.986 3.523 ( -11.947 0.000 0.000) 11.947 3.646 ( -6.726 0.000 0.000) 6.726 3.704 ( 19.424 0.000 0.000) 19.424 3.734 ( 5.928 0.000 0.000) 5.928 3.784 ( -3.996 0.000 0.000) 3.996 4.151 ( 7.620 0.000 0.000) 7.620 4.181 ( 11.980 0.000 0.000) 11.980 4.212 ( 12.318 0.000 0.000) 12.318 4.222 ( 17.756 0.000 0.000) 17.756 4.364 ( 9.949 0.000 0.000) 9.949 4.415 ( -8.282 0.000 0.000) 8.282 4.465 ( 3.795 0.000 0.000) 3.795 4.486 ( 10.019 0.000 0.000) 10.019 4.689 ( 0.159 0.000 0.000) 0.159 4.748 ( -3.588 0.000 0.000) 3.588 4.838 ( -7.731 0.000 0.000) 7.731 4.872 ( 0.230 0.000 0.000) 0.230 4.877 ( -5.505 0.000 0.000) 5.505 5.055 ( -7.864 0.000 0.000) 7.864 5.070 ( 0.881 0.000 0.000) 0.881 5.091 ( 16.223 0.000 0.000) 16.223 5.240 ( -2.043 0.000 0.000) 2.043 5.302 ( 0.587 0.000 0.000) 0.587 5.374 ( 4.979 0.000 0.000) 4.979 5.446 ( -9.043 0.000 0.000) 9.043 5.458 ( 1.649 0.000 0.000) 1.649 5.532 ( 9.720 0.000 0.000) 9.720 5.549 ( -4.469 0.000 0.000) 4.469 5.679 ( 0.114 0.000 0.000) 0.114 5.698 ( -11.011 0.000 0.000) 11.011 5.764 ( -18.191 0.000 0.000) 18.191 5.843 ( -2.855 0.000 0.000) 2.855 5.911 ( -3.361 0.000 0.000) 3.361 5.983 ( -4.310 0.000 0.000) 4.310 6.049 ( -6.158 0.000 0.000) 6.158 6.199 ( -3.163 0.000 0.000) 3.163 6.234 ( -0.285 0.000 0.000) 0.285 6.254 ( -0.129 0.000 0.000) 0.129 6.422 ( -3.459 0.000 0.000) 3.459 6.497 ( 7.159 0.000 0.000) 7.159 6.514 ( -6.651 0.000 0.000) 6.651 6.634 ( -4.249 0.000 0.000) 4.249 6.658 ( 5.684 0.000 0.000) 5.684 6.713 ( 5.125 0.000 0.000) 5.125 6.852 ( -1.482 0.000 0.000) 1.482 6.880 ( 3.323 0.000 0.000) 3.323 6.902 ( 1.373 0.000 0.000) 1.373 7.007 ( 10.188 0.000 0.000) 10.188 7.082 ( -3.314 0.000 0.000) 3.314 7.148 ( 8.097 0.000 0.000) 8.097 7.166 ( 0.450 0.000 0.000) 0.450 7.170 ( -4.740 0.000 0.000) 4.740 7.175 ( 6.174 0.000 0.000) 6.174 7.294 ( -6.574 0.000 0.000) 6.574 7.313 ( 5.725 0.000 0.000) 5.725 7.533 ( -2.603 0.000 0.000) 2.603 7.572 ( 3.357 0.000 0.000) 3.357 7.710 ( 1.346 0.000 0.000) 1.346 7.877 ( -11.819 0.000 0.000) 11.819 7.925 ( 1.879 0.000 0.000) 1.879 7.969 ( 1.458 0.000 0.000) 1.458 7.993 ( -4.610 0.000 0.000) 4.610 8.007 ( 2.662 0.000 0.000) 2.662 8.017 ( -0.649 0.000 0.000) 0.649 8.181 ( 2.222 0.000 0.000) 2.222 8.220 ( -3.566 0.000 0.000) 3.566 8.359 ( 3.925 0.000 0.000) 3.925 8.404 ( -1.080 0.000 0.000) 1.080 8.506 ( 1.401 0.000 0.000) 1.401 8.571 ( 3.483 0.000 0.000) 3.483 8.580 ( 1.184 0.000 0.000) 1.184 8.739 ( 0.499 0.000 0.000) 0.499 8.954 ( -6.116 0.000 0.000) 6.116 8.964 ( -0.468 0.000 0.000) 0.468 9.012 ( -3.428 0.000 0.000) 3.428 9.342 ( -10.907 0.000 0.000) 10.907 9.379 ( 0.135 0.000 0.000) 0.135 9.401 ( 10.598 0.000 0.000) 10.598 9.434 ( -0.926 0.000 0.000) 0.926 9.518 ( -7.094 0.000 0.000) 7.094 9.563 ( -4.146 0.000 0.000) 4.146 9.611 ( -2.948 0.000 0.000) 2.948 9.636 ( -1.044 0.000 0.000) 1.044 9.665 ( -0.784 0.000 0.000) 0.784 9.678 ( 1.704 0.000 0.000) 1.704 9.718 ( 10.680 0.000 0.000) 10.680 9.764 ( 6.129 0.000 0.000) 6.129 9.870 ( -6.529 0.000 0.000) 6.529 10.072 ( 6.548 0.000 0.000) 6.548 10.077 ( -5.332 0.000 0.000) 5.332 10.178 ( -1.636 0.000 0.000) 1.636 10.214 ( 0.623 0.000 0.000) 0.623 10.226 ( 4.041 0.000 0.000) 4.041 10.310 ( 0.312 0.000 0.000) 0.312 10.496 ( 1.832 0.000 0.000) 1.832 10.517 ( 2.505 0.000 0.000) 2.505 10.643 ( 6.953 0.000 0.000) 6.953 10.829 ( 2.495 0.000 0.000) 2.495 10.838 ( 2.229 0.000 0.000) 2.229 10.874 ( 5.984 0.000 0.000) 5.984 10.967 ( 0.756 0.000 0.000) 0.756 11.354 ( -9.129 0.000 0.000) 9.129 11.438 ( 0.478 0.000 0.000) 0.478 11.479 ( -0.318 0.000 0.000) 0.318 11.623 ( -2.665 0.000 0.000) 2.665 11.642 ( 0.729 0.000 0.000) 0.729 11.685 ( 2.490 0.000 0.000) 2.490 11.719 ( -4.217 0.000 0.000) 4.217 11.786 ( -2.267 0.000 0.000) 2.267 11.814 ( -6.665 0.000 0.000) 6.665 11.911 ( 12.742 0.000 0.000) 12.742 12.060 ( -0.932 0.000 0.000) 0.932 12.195 ( 6.592 0.000 0.000) 6.592 12.212 ( -7.505 0.000 0.000) 7.505 12.455 ( -0.593 0.000 0.000) 0.593 12.502 ( -16.576 0.000 0.000) 16.576 12.883 ( 2.851 0.000 0.000) 2.851 13.001 ( -9.367 0.000 0.000) 9.367 13.059 ( 4.227 0.000 0.000) 4.227 13.510 ( 0.043 0.000 0.000) 0.043 13.721 ( 4.899 0.000 0.000) 4.899 13.777 ( -5.920 0.000 0.000) 5.920 13.853 ( -3.070 0.000 0.000) 3.070 13.862 ( 1.561 0.000 0.000) 1.561 13.985 ( 3.084 0.000 0.000) 3.084 14.011 ( -0.654 0.000 0.000) 0.654 14.083 ( 0.924 0.000 0.000) 0.924 14.302 ( 13.734 0.000 0.000) 13.734 14.305 ( 10.259 0.000 0.000) 10.259 14.460 ( 1.876 0.000 0.000) 1.876 14.610 ( 1.452 0.000 0.000) 1.452 14.699 ( -3.922 0.000 0.000) 3.922 14.749 ( -2.651 0.000 0.000) 2.651 14.800 ( -6.806 0.000 0.000) 6.806 14.921 ( 4.065 0.000 0.000) 4.065 15.072 ( 5.956 0.000 0.000) 5.956 15.104 ( 7.666 0.000 0.000) 7.666 15.163 ( -4.068 0.000 0.000) 4.068 15.241 ( 0.632 0.000 0.000) 0.632 15.269 ( -3.942 0.000 0.000) 3.942 15.424 ( -4.462 0.000 0.000) 4.462 15.784 ( -0.620 0.000 0.000) 0.620 15.806 ( -0.307 0.000 0.000) 0.307 21.682 ( 0.259 0.000 0.000) 0.259 21.692 ( 0.279 0.000 0.000) 0.279 21.716 ( -0.381 0.000 0.000) 0.381 21.737 ( -0.605 0.000 0.000) 0.605 21.896 ( 2.363 0.000 0.000) 2.363 22.067 ( 2.438 0.000 0.000) 2.438 22.189 ( -3.153 0.000 0.000) 3.153 22.259 ( -0.072 0.000 0.000) 0.072 22.352 ( -2.051 0.000 0.000) 2.051 22.377 ( 4.892 0.000 0.000) 4.892 22.526 ( -3.510 0.000 0.000) 3.510 22.588 ( -6.265 0.000 0.000) 6.265 22.594 ( -7.724 0.000 0.000) 7.724 22.695 ( -1.865 0.000 0.000) 1.865 22.755 ( -3.315 0.000 0.000) 3.315 22.906 ( -2.243 0.000 0.000) 2.243 23.164 ( 4.532 0.000 0.000) 4.532 23.187 ( 6.872 0.000 0.000) 6.872 23.215 ( 6.003 0.000 0.000) 6.003 23.245 ( 4.397 0.000 0.000) 4.397 23.357 ( 3.824 0.000 0.000) 3.824 23.755 ( -2.435 0.000 0.000) 2.435 23.832 ( 3.643 0.000 0.000) 3.643 23.995 ( -0.247 0.000 0.000) 0.247 24.938 ( 3.246 0.000 0.000) 3.246 25.191 ( 3.360 0.000 0.000) 3.360 25.236 ( 4.800 0.000 0.000) 4.800 25.318 ( -3.640 0.000 0.000) 3.640 25.406 ( -0.431 0.000 0.000) 0.431 25.790 ( 1.413 0.000 0.000) 1.413 25.882 ( -0.896 0.000 0.000) 0.896 26.011 ( -6.212 0.000 0.000) 6.212 26.627 ( 1.054 0.000 0.000) 1.054 26.735 ( 4.456 0.000 0.000) 4.456 26.980 ( 1.000 0.000 0.000) 1.000 26.987 ( -4.714 0.000 0.000) 4.714 27.133 ( -2.320 0.000 0.000) 2.320 27.297 ( -4.946 0.000 0.000) 4.946 27.406 ( 0.809 0.000 0.000) 0.809 27.440 ( -0.667 0.000 0.000) 0.667 28.285 ( 3.138 0.000 0.000) 3.138 28.505 ( -0.346 0.000 0.000) 0.346 28.545 ( -1.073 0.000 0.000) 1.073 28.561 ( -1.758 0.000 0.000) 1.758 28.934 ( 5.480 0.000 0.000) 5.480 29.583 ( 0.624 0.000 0.000) 0.624 29.667 ( -7.021 0.000 0.000) 7.021 29.736 ( -1.756 0.000 0.000) 1.756 30.738 ( 1.397 0.000 0.000) 1.397 30.835 ( 1.661 0.000 0.000) 1.661 30.876 ( 0.729 0.000 0.000) 0.729 30.888 ( -1.190 0.000 0.000) 1.190 30.969 ( -0.813 0.000 0.000) 0.813 31.009 ( 2.827 0.000 0.000) 2.827 31.030 ( -1.608 0.000 0.000) 1.608 31.380 ( -3.493 0.000 0.000) 3.493 39.586 ( 0.927 0.000 0.000) 0.927 39.618 ( 1.080 0.000 0.000) 1.080 39.689 ( -0.767 0.000 0.000) 0.767 39.700 ( 1.121 0.000 0.000) 1.121 39.746 ( 0.733 0.000 0.000) 0.733 39.759 ( -1.214 0.000 0.000) 1.214 39.852 ( -1.395 0.000 0.000) 1.395 39.865 ( -1.319 0.000 0.000) 1.319 70.063 ( 18.519 0.000 0.000) 18.519 70.124 ( 16.373 0.000 0.000) 16.373 70.523 ( 16.868 0.000 0.000) 16.868 71.967 ( -14.557 0.000 0.000) 14.557 72.061 ( -15.191 0.000 0.000) 15.191 72.136 ( -9.875 0.000 0.000) 9.875 73.242 ( 0.293 0.000 0.000) 0.293 73.256 ( -0.468 0.000 0.000) 0.468 105.112 ( 0.461 0.000 0.000) 0.461 105.147 ( -0.170 0.000 0.000) 0.170 105.163 ( 0.331 0.000 0.000) 0.331 105.202 ( 0.298 0.000 0.000) 0.298 105.202 ( -0.343 0.000 0.000) 0.343 105.204 ( 0.655 0.000 0.000) 0.655 105.255 ( -0.526 0.000 0.000) 0.526 105.299 ( -0.916 0.000 0.000) 0.916 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 27.851 0.000 0.000) 27.851 1.323 ( 35.372 0.000 0.000) 35.372 1.755 ( 9.314 0.000 0.000) 9.314 2.320 ( -18.677 0.000 0.000) 18.677 2.336 ( -9.622 0.000 0.000) 9.622 2.361 ( 20.128 0.000 0.000) 20.128 2.537 ( -1.403 0.000 0.000) 1.403 2.688 ( -3.996 0.000 0.000) 3.996 2.743 ( -7.827 0.000 0.000) 7.827 2.749 ( -13.423 0.000 0.000) 13.423 2.816 ( -3.255 0.000 0.000) 3.255 2.875 ( -28.307 0.000 0.000) 28.307 3.142 ( -2.106 0.000 0.000) 2.106 3.238 ( 2.810 0.000 0.000) 2.810 3.312 ( -8.501 0.000 0.000) 8.501 3.364 ( -3.863 0.000 0.000) 3.863 3.449 ( -2.365 0.000 0.000) 2.365 3.673 ( -8.867 0.000 0.000) 8.867 3.786 ( 19.849 0.000 0.000) 19.849 3.825 ( 4.685 0.000 0.000) 4.685 3.904 ( 25.436 0.000 0.000) 25.436 4.077 ( 2.471 0.000 0.000) 2.471 4.110 ( -5.589 0.000 0.000) 5.589 4.242 ( 7.231 0.000 0.000) 7.231 4.266 ( -14.422 0.000 0.000) 14.422 4.379 ( 2.217 0.000 0.000) 2.217 4.530 ( 9.188 0.000 0.000) 9.188 4.548 ( 17.468 0.000 0.000) 17.468 4.619 ( -3.309 0.000 0.000) 3.309 4.641 ( -6.842 0.000 0.000) 6.842 4.665 ( 11.415 0.000 0.000) 11.415 4.713 ( 10.156 0.000 0.000) 10.156 4.762 ( 8.643 0.000 0.000) 8.643 4.865 ( 1.826 0.000 0.000) 1.826 4.891 ( -0.438 0.000 0.000) 0.438 4.916 ( -3.948 0.000 0.000) 3.948 5.148 ( 7.325 0.000 0.000) 7.325 5.199 ( -9.135 0.000 0.000) 9.135 5.240 ( -6.653 0.000 0.000) 6.653 5.248 ( -14.176 0.000 0.000) 14.176 5.312 ( -2.755 0.000 0.000) 2.755 5.333 ( 0.196 0.000 0.000) 0.196 5.435 ( 9.666 0.000 0.000) 9.666 5.471 ( -10.991 0.000 0.000) 10.991 5.526 ( -6.244 0.000 0.000) 6.244 5.586 ( -0.315 0.000 0.000) 0.315 5.680 ( -5.155 0.000 0.000) 5.155 5.689 ( 2.633 0.000 0.000) 2.633 5.813 ( 8.601 0.000 0.000) 8.601 5.920 ( 1.398 0.000 0.000) 1.398 5.975 ( 3.245 0.000 0.000) 3.245 5.980 ( 2.458 0.000 0.000) 2.458 6.141 ( -3.569 0.000 0.000) 3.569 6.186 ( -4.024 0.000 0.000) 4.024 6.242 ( -2.688 0.000 0.000) 2.688 6.352 ( -12.873 0.000 0.000) 12.873 6.380 ( -0.759 0.000 0.000) 0.759 6.463 ( 5.046 0.000 0.000) 5.046 6.719 ( 4.546 0.000 0.000) 4.546 6.736 ( -0.269 0.000 0.000) 0.269 6.756 ( 3.697 0.000 0.000) 3.697 6.827 ( -2.175 0.000 0.000) 2.175 6.898 ( -18.724 0.000 0.000) 18.724 6.903 ( -4.022 0.000 0.000) 4.022 6.964 ( -1.072 0.000 0.000) 1.072 7.008 ( -3.295 0.000 0.000) 3.295 7.147 ( 2.136 0.000 0.000) 2.136 7.175 ( -4.180 0.000 0.000) 4.180 7.199 ( 5.539 0.000 0.000) 5.539 7.282 ( 6.781 0.000 0.000) 6.781 7.348 ( 11.782 0.000 0.000) 11.782 7.429 ( 3.334 0.000 0.000) 3.334 7.438 ( -6.593 0.000 0.000) 6.593 7.642 ( 2.630 0.000 0.000) 2.630 7.682 ( -5.759 0.000 0.000) 5.759 7.721 ( -3.596 0.000 0.000) 3.596 7.928 ( -1.031 0.000 0.000) 1.031 7.932 ( -1.500 0.000 0.000) 1.500 7.966 ( 2.225 0.000 0.000) 2.225 8.013 ( 0.711 0.000 0.000) 0.711 8.019 ( -1.650 0.000 0.000) 1.650 8.154 ( -3.044 0.000 0.000) 3.044 8.245 ( 4.709 0.000 0.000) 4.709 8.404 ( -1.519 0.000 0.000) 1.519 8.489 ( 7.072 0.000 0.000) 7.072 8.580 ( 7.180 0.000 0.000) 7.180 8.596 ( -0.084 0.000 0.000) 0.084 8.690 ( 9.351 0.000 0.000) 9.351 8.742 ( -0.325 0.000 0.000) 0.325 8.844 ( -4.509 0.000 0.000) 4.509 8.967 ( -1.344 0.000 0.000) 1.344 8.970 ( 0.488 0.000 0.000) 0.488 9.083 ( -13.644 0.000 0.000) 13.644 9.271 ( -12.643 0.000 0.000) 12.643 9.414 ( -0.903 0.000 0.000) 0.903 9.422 ( -1.386 0.000 0.000) 1.386 9.510 ( -1.083 0.000 0.000) 1.083 9.576 ( 5.291 0.000 0.000) 5.291 9.582 ( -0.573 0.000 0.000) 0.573 9.599 ( -1.734 0.000 0.000) 1.734 9.665 ( 0.882 0.000 0.000) 0.882 9.690 ( 2.434 0.000 0.000) 2.434 9.747 ( -4.881 0.000 0.000) 4.881 9.870 ( 4.236 0.000 0.000) 4.236 9.965 ( 12.550 0.000 0.000) 12.550 10.099 ( -5.366 0.000 0.000) 5.366 10.113 ( 5.994 0.000 0.000) 5.994 10.197 ( -1.986 0.000 0.000) 1.986 10.232 ( 9.607 0.000 0.000) 9.607 10.265 ( -0.094 0.000 0.000) 0.094 10.306 ( -1.917 0.000 0.000) 1.917 10.479 ( -2.688 0.000 0.000) 2.688 10.575 ( 3.427 0.000 0.000) 3.427 10.700 ( -1.287 0.000 0.000) 1.287 10.884 ( 2.975 0.000 0.000) 2.975 10.889 ( 2.744 0.000 0.000) 2.744 10.998 ( 2.847 0.000 0.000) 2.847 11.028 ( 10.473 0.000 0.000) 10.473 11.195 ( -7.669 0.000 0.000) 7.669 11.460 ( 2.085 0.000 0.000) 2.085 11.480 ( 0.773 0.000 0.000) 0.773 11.518 ( -11.908 0.000 0.000) 11.908 11.599 ( -7.308 0.000 0.000) 7.308 11.621 ( -5.868 0.000 0.000) 5.868 11.715 ( 6.945 0.000 0.000) 6.945 11.752 ( 4.599 0.000 0.000) 4.599 11.829 ( 1.796 0.000 0.000) 1.796 12.037 ( -1.275 0.000 0.000) 1.275 12.051 ( -9.526 0.000 0.000) 9.526 12.124 ( 9.623 0.000 0.000) 9.623 12.212 ( -13.516 0.000 0.000) 13.516 12.371 ( 12.270 0.000 0.000) 12.270 12.398 ( -5.474 0.000 0.000) 5.474 12.818 ( -10.182 0.000 0.000) 10.182 12.954 ( 4.607 0.000 0.000) 4.607 13.087 ( -0.930 0.000 0.000) 0.930 13.521 ( 1.356 0.000 0.000) 1.356 13.663 ( -6.003 0.000 0.000) 6.003 13.807 ( -1.786 0.000 0.000) 1.786 13.825 ( 5.775 0.000 0.000) 5.775 13.843 ( -3.159 0.000 0.000) 3.159 13.985 ( -2.348 0.000 0.000) 2.348 14.038 ( 2.690 0.000 0.000) 2.690 14.099 ( 0.537 0.000 0.000) 0.537 14.477 ( 5.102 0.000 0.000) 5.102 14.497 ( 5.272 0.000 0.000) 5.272 14.578 ( 12.922 0.000 0.000) 12.922 14.625 ( -3.846 0.000 0.000) 3.846 14.684 ( -5.897 0.000 0.000) 5.897 14.734 ( 12.772 0.000 0.000) 12.772 14.786 ( 6.516 0.000 0.000) 6.516 14.995 ( 3.083 0.000 0.000) 3.083 15.014 ( -9.073 0.000 0.000) 9.073 15.131 ( -6.639 0.000 0.000) 6.639 15.219 ( 4.366 0.000 0.000) 4.366 15.220 ( 2.548 0.000 0.000) 2.548 15.237 ( -1.308 0.000 0.000) 1.308 15.309 ( -7.488 0.000 0.000) 7.488 15.778 ( 0.074 0.000 0.000) 0.074 15.798 ( -0.563 0.000 0.000) 0.563 21.687 ( 0.283 0.000 0.000) 0.283 21.700 ( 0.679 0.000 0.000) 0.679 21.705 ( -0.723 0.000 0.000) 0.723 21.726 ( -0.573 0.000 0.000) 0.573 21.955 ( 3.870 0.000 0.000) 3.870 22.116 ( -4.475 0.000 0.000) 4.475 22.129 ( 4.194 0.000 0.000) 4.194 22.278 ( 2.211 0.000 0.000) 2.211 22.296 ( -3.927 0.000 0.000) 3.927 22.454 ( -7.076 0.000 0.000) 7.076 22.465 ( -2.614 0.000 0.000) 2.614 22.486 ( -4.224 0.000 0.000) 4.224 22.490 ( 7.234 0.000 0.000) 7.234 22.661 ( -1.317 0.000 0.000) 1.317 22.693 ( -2.924 0.000 0.000) 2.924 22.797 ( -8.199 0.000 0.000) 8.199 23.252 ( 4.672 0.000 0.000) 4.672 23.318 ( 2.491 0.000 0.000) 2.491 23.320 ( 6.465 0.000 0.000) 6.465 23.378 ( 10.194 0.000 0.000) 10.194 23.412 ( 1.505 0.000 0.000) 1.505 23.684 ( -5.394 0.000 0.000) 5.394 23.904 ( 3.693 0.000 0.000) 3.693 23.985 ( -0.864 0.000 0.000) 0.864 25.018 ( 5.254 0.000 0.000) 5.254 25.230 ( -5.523 0.000 0.000) 5.523 25.262 ( 4.096 0.000 0.000) 4.096 25.384 ( 11.013 0.000 0.000) 11.013 25.386 ( -1.873 0.000 0.000) 1.873 25.818 ( 1.427 0.000 0.000) 1.427 25.848 ( -11.173 0.000 0.000) 11.173 25.862 ( -1.169 0.000 0.000) 1.169 26.671 ( 3.761 0.000 0.000) 3.761 26.837 ( 6.329 0.000 0.000) 6.329 26.879 ( -6.511 0.000 0.000) 6.511 27.014 ( 2.819 0.000 0.000) 2.819 27.066 ( -4.947 0.000 0.000) 4.947 27.192 ( -6.058 0.000 0.000) 6.058 27.413 ( 0.113 0.000 0.000) 0.113 27.426 ( -0.727 0.000 0.000) 0.727 28.359 ( 4.543 0.000 0.000) 4.543 28.500 ( -0.045 0.000 0.000) 0.045 28.514 ( -3.282 0.000 0.000) 3.282 28.523 ( -1.188 0.000 0.000) 1.188 29.075 ( 9.585 0.000 0.000) 9.585 29.493 ( -11.217 0.000 0.000) 11.217 29.603 ( 1.613 0.000 0.000) 1.613 29.693 ( -2.735 0.000 0.000) 2.735 30.772 ( 2.217 0.000 0.000) 2.217 30.857 ( -2.047 0.000 0.000) 2.047 30.875 ( 2.601 0.000 0.000) 2.601 30.896 ( 1.478 0.000 0.000) 1.478 30.948 ( -1.433 0.000 0.000) 1.433 30.989 ( -2.688 0.000 0.000) 2.688 31.082 ( 4.930 0.000 0.000) 4.930 31.293 ( -5.617 0.000 0.000) 5.617 39.609 ( 1.555 0.000 0.000) 1.555 39.646 ( 1.925 0.000 0.000) 1.925 39.669 ( -1.393 0.000 0.000) 1.393 39.728 ( -2.082 0.000 0.000) 2.082 39.730 ( 2.017 0.000 0.000) 2.017 39.766 ( 1.425 0.000 0.000) 1.425 39.817 ( -2.291 0.000 0.000) 2.291 39.834 ( -1.969 0.000 0.000) 1.969 70.525 ( 30.139 0.000 0.000) 30.139 70.539 ( 27.388 0.000 0.000) 27.388 70.933 ( 26.072 0.000 0.000) 26.072 71.596 ( -24.948 0.000 0.000) 24.948 71.668 ( -26.641 0.000 0.000) 26.641 71.859 ( -19.838 0.000 0.000) 19.838 73.244 ( -0.012 0.000 0.000) 0.012 73.247 ( -0.395 0.000 0.000) 0.395 105.123 ( 0.635 0.000 0.000) 0.635 105.142 ( -0.346 0.000 0.000) 0.346 105.171 ( 0.549 0.000 0.000) 0.549 105.194 ( -0.570 0.000 0.000) 0.570 105.210 ( 0.644 0.000 0.000) 0.644 105.222 ( 1.223 0.000 0.000) 1.223 105.242 ( -0.872 0.000 0.000) 0.872 105.276 ( -1.471 0.000 0.000) 1.471 ======================= Grid point 3 (4/36) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -15.449 0.000 0.000) 15.449 1.636 ( 15.449 0.000 0.000) 15.449 1.919 ( -27.036 0.000 0.000) 27.036 1.919 ( 27.036 0.000 0.000) 27.036 2.366 ( -15.562 0.000 0.000) 15.562 2.366 ( 15.562 0.000 0.000) 15.562 2.559 ( -3.916 0.000 0.000) 3.916 2.559 ( 3.916 0.000 0.000) 3.916 2.666 ( -0.593 0.000 0.000) 0.593 2.666 ( 0.593 0.000 0.000) 0.593 2.749 ( -8.213 0.000 0.000) 8.213 2.749 ( 8.213 0.000 0.000) 8.213 3.180 ( -5.094 0.000 0.000) 5.094 3.180 ( 5.094 0.000 0.000) 5.094 3.367 ( -6.811 0.000 0.000) 6.811 3.367 ( 6.811 0.000 0.000) 6.811 3.451 ( -14.382 0.000 0.000) 14.382 3.451 ( 14.382 0.000 0.000) 14.382 3.934 ( -7.001 0.000 0.000) 7.001 3.934 ( 7.001 0.000 0.000) 7.001 3.993 ( -4.154 0.000 0.000) 4.154 3.993 ( 4.154 0.000 0.000) 4.154 4.162 ( -18.512 0.000 0.000) 18.512 4.162 ( 18.512 0.000 0.000) 18.512 4.417 ( -22.215 0.000 0.000) 22.215 4.417 ( 22.215 0.000 0.000) 22.215 4.517 ( -10.659 0.000 0.000) 10.659 4.517 ( 10.659 0.000 0.000) 10.659 4.756 ( -6.503 0.000 0.000) 6.503 4.756 ( 6.503 0.000 0.000) 6.503 4.793 ( -5.019 0.000 0.000) 5.019 4.793 ( 5.019 0.000 0.000) 5.019 4.815 ( -7.827 0.000 0.000) 7.827 4.815 ( 7.827 0.000 0.000) 7.827 4.956 ( -6.407 0.000 0.000) 6.407 4.956 ( 6.407 0.000 0.000) 6.407 5.054 ( -8.446 0.000 0.000) 8.446 5.054 ( 8.446 0.000 0.000) 8.446 5.194 ( -8.570 0.000 0.000) 8.570 5.194 ( 8.570 0.000 0.000) 8.570 5.316 ( -11.202 0.000 0.000) 11.202 5.316 ( 11.202 0.000 0.000) 11.202 5.349 ( -3.696 0.000 0.000) 3.696 5.349 ( 3.696 0.000 0.000) 3.696 5.625 ( -3.821 0.000 0.000) 3.821 5.625 ( 3.821 0.000 0.000) 3.821 5.645 ( -8.373 0.000 0.000) 8.373 5.645 ( 8.373 0.000 0.000) 8.373 5.921 ( -3.312 0.000 0.000) 3.312 5.921 ( 3.312 0.000 0.000) 3.312 6.076 ( -3.691 0.000 0.000) 3.691 6.076 ( 3.691 0.000 0.000) 3.691 6.111 ( -11.434 0.000 0.000) 11.434 6.111 ( 11.434 0.000 0.000) 11.434 6.169 ( -2.687 0.000 0.000) 2.687 6.169 ( 2.687 0.000 0.000) 2.687 6.490 ( -16.027 0.000 0.000) 16.027 6.490 ( 16.027 0.000 0.000) 16.027 6.688 ( -15.274 0.000 0.000) 15.274 6.688 ( 15.274 0.000 0.000) 15.274 6.774 ( -2.669 0.000 0.000) 2.669 6.774 ( 2.669 0.000 0.000) 2.669 6.775 ( -1.088 0.000 0.000) 1.088 6.775 ( 1.088 0.000 0.000) 1.088 6.977 ( -0.649 0.000 0.000) 0.649 6.977 ( 0.649 0.000 0.000) 0.649 7.157 ( -0.076 0.000 0.000) 0.076 7.157 ( 0.076 0.000 0.000) 0.076 7.315 ( -6.494 0.000 0.000) 6.494 7.315 ( 6.494 0.000 0.000) 6.494 7.399 ( -5.310 0.000 0.000) 5.310 7.399 ( 5.310 0.000 0.000) 5.310 7.565 ( -11.045 0.000 0.000) 11.045 7.565 ( 11.045 0.000 0.000) 11.045 7.653 ( -0.593 0.000 0.000) 0.593 7.653 ( 0.593 0.000 0.000) 0.593 7.963 ( -3.633 0.000 0.000) 3.633 7.963 ( 3.633 0.000 0.000) 3.633 7.963 ( -2.301 0.000 0.000) 2.301 7.963 ( 2.301 0.000 0.000) 2.301 8.078 ( -5.259 0.000 0.000) 5.259 8.078 ( 5.259 0.000 0.000) 5.259 8.339 ( -4.929 0.000 0.000) 4.929 8.339 ( 4.929 0.000 0.000) 4.929 8.567 ( -2.616 0.000 0.000) 2.616 8.567 ( 2.616 0.000 0.000) 2.616 8.705 ( -4.562 0.000 0.000) 4.562 8.705 ( 4.562 0.000 0.000) 4.562 8.814 ( -0.277 0.000 0.000) 0.277 8.814 ( 0.277 0.000 0.000) 0.277 8.964 ( -0.755 0.000 0.000) 0.755 8.964 ( 0.755 0.000 0.000) 0.755 9.026 ( -10.569 0.000 0.000) 10.569 9.026 ( 10.569 0.000 0.000) 10.569 9.409 ( -0.260 0.000 0.000) 0.260 9.409 ( 0.260 0.000 0.000) 0.260 9.539 ( -3.981 0.000 0.000) 3.981 9.539 ( 3.981 0.000 0.000) 3.981 9.580 ( -0.376 0.000 0.000) 0.376 9.580 ( 0.376 0.000 0.000) 0.376 9.691 ( -1.769 0.000 0.000) 1.769 9.691 ( 1.769 0.000 0.000) 1.769 9.832 ( -8.148 0.000 0.000) 8.148 9.832 ( 8.148 0.000 0.000) 8.148 10.071 ( -1.408 0.000 0.000) 1.408 10.071 ( 1.408 0.000 0.000) 1.408 10.219 ( -4.571 0.000 0.000) 4.571 10.219 ( 4.571 0.000 0.000) 4.571 10.226 ( -5.978 0.000 0.000) 5.978 10.226 ( 5.978 0.000 0.000) 5.978 10.393 ( -6.949 0.000 0.000) 6.949 10.393 ( 6.949 0.000 0.000) 6.949 10.640 ( -3.839 0.000 0.000) 3.839 10.640 ( 3.839 0.000 0.000) 3.839 10.917 ( -0.120 0.000 0.000) 0.120 10.917 ( 0.120 0.000 0.000) 0.120 11.075 ( -5.396 0.000 0.000) 5.396 11.075 ( 5.396 0.000 0.000) 5.396 11.255 ( -14.077 0.000 0.000) 14.077 11.255 ( 14.077 0.000 0.000) 14.077 11.516 ( -3.143 0.000 0.000) 3.143 11.516 ( 3.143 0.000 0.000) 3.143 11.521 ( -4.567 0.000 0.000) 4.567 11.521 ( 4.567 0.000 0.000) 4.567 11.831 ( -2.662 0.000 0.000) 2.662 11.831 ( 2.662 0.000 0.000) 2.662 11.873 ( -9.541 0.000 0.000) 9.541 11.873 ( 9.541 0.000 0.000) 9.541 12.045 ( -3.823 0.000 0.000) 3.823 12.045 ( 3.823 0.000 0.000) 3.823 12.275 ( -7.401 0.000 0.000) 7.401 12.275 ( 7.401 0.000 0.000) 7.401 12.611 ( -12.599 0.000 0.000) 12.599 12.611 ( 12.599 0.000 0.000) 12.599 13.038 ( -4.063 0.000 0.000) 4.063 13.038 ( 4.063 0.000 0.000) 4.063 13.569 ( -3.967 0.000 0.000) 3.967 13.569 ( 3.967 0.000 0.000) 3.967 13.797 ( -1.025 0.000 0.000) 1.025 13.797 ( 1.025 0.000 0.000) 1.025 13.922 ( -4.488 0.000 0.000) 4.488 13.922 ( 4.488 0.000 0.000) 4.488 14.083 ( -2.030 0.000 0.000) 2.030 14.083 ( 2.030 0.000 0.000) 2.030 14.562 ( -3.095 0.000 0.000) 3.095 14.562 ( 3.095 0.000 0.000) 3.095 14.577 ( -5.815 0.000 0.000) 5.815 14.577 ( 5.815 0.000 0.000) 5.815 14.816 ( -12.056 0.000 0.000) 12.056 14.816 ( 12.056 0.000 0.000) 12.056 14.956 ( -10.658 0.000 0.000) 10.658 14.956 ( 10.658 0.000 0.000) 10.658 14.963 ( -8.715 0.000 0.000) 8.715 14.963 ( 8.715 0.000 0.000) 8.715 15.214 ( -0.661 0.000 0.000) 0.661 15.214 ( 0.661 0.000 0.000) 0.661 15.257 ( -0.270 0.000 0.000) 0.270 15.257 ( 0.270 0.000 0.000) 0.270 15.786 ( -0.666 0.000 0.000) 0.666 15.786 ( 0.666 0.000 0.000) 0.666 21.694 ( -0.455 0.000 0.000) 0.455 21.694 ( 0.455 0.000 0.000) 0.455 21.714 ( -0.746 0.000 0.000) 0.746 21.714 ( 0.746 0.000 0.000) 0.746 22.033 ( -4.443 0.000 0.000) 4.443 22.033 ( 4.443 0.000 0.000) 4.443 22.214 ( -4.771 0.000 0.000) 4.771 22.214 ( 4.771 0.000 0.000) 4.771 22.343 ( -4.855 0.000 0.000) 4.855 22.343 ( 4.855 0.000 0.000) 4.855 22.442 ( -0.444 0.000 0.000) 0.444 22.442 ( 0.444 0.000 0.000) 0.444 22.638 ( -8.607 0.000 0.000) 8.607 22.638 ( 8.607 0.000 0.000) 8.607 22.657 ( -0.941 0.000 0.000) 0.941 22.657 ( 0.941 0.000 0.000) 0.941 23.319 ( -2.214 0.000 0.000) 2.214 23.319 ( 2.214 0.000 0.000) 2.214 23.404 ( -2.494 0.000 0.000) 2.494 23.404 ( 2.494 0.000 0.000) 2.494 23.555 ( -8.553 0.000 0.000) 8.553 23.555 ( 8.553 0.000 0.000) 8.553 23.959 ( -2.175 0.000 0.000) 2.175 23.959 ( 2.175 0.000 0.000) 2.175 25.123 ( -5.948 0.000 0.000) 5.948 25.123 ( 5.948 0.000 0.000) 5.948 25.335 ( -3.564 0.000 0.000) 3.564 25.335 ( 3.564 0.000 0.000) 3.564 25.616 ( -13.363 0.000 0.000) 13.363 25.616 ( 13.363 0.000 0.000) 13.363 25.841 ( -1.149 0.000 0.000) 1.149 25.841 ( 1.149 0.000 0.000) 1.149 26.762 ( -5.921 0.000 0.000) 5.921 26.762 ( 5.921 0.000 0.000) 5.921 26.958 ( -6.485 0.000 0.000) 6.485 26.958 ( 6.485 0.000 0.000) 6.485 27.087 ( -5.051 0.000 0.000) 5.051 27.087 ( 5.051 0.000 0.000) 5.051 27.416 ( -0.311 0.000 0.000) 0.311 27.416 ( 0.311 0.000 0.000) 0.311 28.442 ( -4.350 0.000 0.000) 4.350 28.442 ( 4.350 0.000 0.000) 4.350 28.505 ( -0.659 0.000 0.000) 0.659 28.505 ( 0.659 0.000 0.000) 0.659 29.276 ( -11.816 0.000 0.000) 11.816 29.276 ( 11.816 0.000 0.000) 11.816 29.642 ( -2.575 0.000 0.000) 2.575 29.642 ( 2.575 0.000 0.000) 2.575 30.815 ( -2.407 0.000 0.000) 2.407 30.815 ( 2.407 0.000 0.000) 2.407 30.918 ( -1.830 0.000 0.000) 1.830 30.918 ( 1.830 0.000 0.000) 1.830 30.936 ( -2.868 0.000 0.000) 2.868 30.936 ( 2.868 0.000 0.000) 2.868 31.184 ( -5.977 0.000 0.000) 5.977 31.184 ( 5.977 0.000 0.000) 5.977 39.640 ( -1.706 0.000 0.000) 1.706 39.640 ( 1.706 0.000 0.000) 1.706 39.686 ( -2.322 0.000 0.000) 2.322 39.686 ( 2.322 0.000 0.000) 2.322 39.772 ( -2.473 0.000 0.000) 2.473 39.772 ( 2.473 0.000 0.000) 2.473 39.797 ( -1.916 0.000 0.000) 1.916 39.797 ( 1.916 0.000 0.000) 1.916 71.081 ( -29.997 0.000 0.000) 29.997 71.081 ( 29.997 0.000 0.000) 29.997 71.114 ( -32.384 0.000 0.000) 32.384 71.114 ( 32.384 0.000 0.000) 32.384 71.427 ( -26.259 0.000 0.000) 26.259 71.427 ( 26.259 0.000 0.000) 26.259 73.243 ( -0.013 0.000 0.000) 0.013 73.243 ( 0.013 0.000 0.000) 0.013 105.134 ( -0.530 0.000 0.000) 0.530 105.134 ( 0.530 0.000 0.000) 0.530 105.182 ( -0.634 0.000 0.000) 0.634 105.182 ( 0.634 0.000 0.000) 0.634 105.225 ( -0.905 0.000 0.000) 0.905 105.225 ( 0.905 0.000 0.000) 0.905 105.248 ( -1.546 0.000 0.000) 1.546 105.248 ( 1.546 0.000 0.000) 1.546 ======================= Grid point 7 (5/36) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 0.000 37.076 0.000) 37.076 0.763 ( 0.000 40.058 0.000) 40.058 1.410 ( 0.000 72.599 0.000) 72.599 2.500 ( 0.000 -23.734 0.000) 23.734 2.552 ( 0.000 0.328 0.000) 0.328 2.581 ( 0.000 -11.920 0.000) 11.920 2.663 ( 0.000 6.299 0.000) 6.299 2.713 ( 0.000 -3.132 0.000) 3.132 2.864 ( 0.000 1.089 0.000) 1.089 2.999 ( 0.000 0.758 0.000) 0.758 3.004 ( 0.000 -6.796 0.000) 6.796 3.238 ( 0.000 3.197 0.000) 3.197 3.268 ( 0.000 1.392 0.000) 1.392 3.320 ( 0.000 3.586 0.000) 3.586 3.489 ( 0.000 -3.981 0.000) 3.981 3.505 ( 0.000 10.582 0.000) 10.582 3.592 ( 0.000 1.478 0.000) 1.478 3.605 ( 0.000 6.985 0.000) 6.985 3.707 ( 0.000 -0.074 0.000) 0.074 3.739 ( 0.000 3.558 0.000) 3.558 3.847 ( 0.000 -0.202 0.000) 0.202 3.872 ( 0.000 1.340 0.000) 1.340 3.874 ( 0.000 -3.453 0.000) 3.453 3.931 ( 0.000 -1.173 0.000) 1.173 4.005 ( 0.000 10.427 0.000) 10.427 4.045 ( 0.000 -1.681 0.000) 1.681 4.283 ( 0.000 1.737 0.000) 1.737 4.357 ( 0.000 -13.107 0.000) 13.107 4.421 ( 0.000 2.203 0.000) 2.203 4.536 ( 0.000 4.025 0.000) 4.025 4.556 ( 0.000 -7.629 0.000) 7.629 4.741 ( 0.000 -14.737 0.000) 14.737 4.762 ( 0.000 -2.833 0.000) 2.833 4.829 ( 0.000 -5.562 0.000) 5.562 4.951 ( 0.000 -4.455 0.000) 4.455 5.023 ( 0.000 -2.338 0.000) 2.338 5.026 ( 0.000 7.976 0.000) 7.976 5.085 ( 0.000 4.138 0.000) 4.138 5.123 ( 0.000 4.674 0.000) 4.674 5.332 ( 0.000 1.165 0.000) 1.165 5.337 ( 0.000 -1.497 0.000) 1.497 5.371 ( 0.000 -5.194 0.000) 5.194 5.416 ( 0.000 5.178 0.000) 5.178 5.614 ( 0.000 -5.336 0.000) 5.336 5.629 ( 0.000 -4.720 0.000) 4.720 5.667 ( 0.000 3.217 0.000) 3.217 5.777 ( 0.000 0.574 0.000) 0.574 5.883 ( 0.000 -12.185 0.000) 12.185 5.923 ( 0.000 -1.780 0.000) 1.780 5.964 ( 0.000 -0.053 0.000) 0.053 6.016 ( 0.000 -9.463 0.000) 9.463 6.077 ( 0.000 -3.123 0.000) 3.123 6.175 ( 0.000 -1.950 0.000) 1.950 6.244 ( 0.000 4.787 0.000) 4.787 6.282 ( 0.000 4.454 0.000) 4.454 6.340 ( 0.000 7.101 0.000) 7.101 6.544 ( 0.000 6.741 0.000) 6.741 6.602 ( 0.000 3.752 0.000) 3.752 6.636 ( 0.000 2.162 0.000) 2.162 6.670 ( 0.000 -5.063 0.000) 5.063 6.741 ( 0.000 -6.228 0.000) 6.228 6.808 ( 0.000 -1.203 0.000) 1.203 6.841 ( 0.000 8.609 0.000) 8.609 6.852 ( 0.000 3.717 0.000) 3.717 6.930 ( 0.000 1.073 0.000) 1.073 7.058 ( 0.000 2.494 0.000) 2.494 7.138 ( 0.000 -2.655 0.000) 2.655 7.225 ( 0.000 5.907 0.000) 5.907 7.289 ( 0.000 -3.289 0.000) 3.289 7.315 ( 0.000 2.953 0.000) 2.953 7.370 ( 0.000 18.613 0.000) 18.613 7.384 ( 0.000 1.584 0.000) 1.584 7.424 ( 0.000 6.149 0.000) 6.149 7.564 ( 0.000 0.625 0.000) 0.625 7.655 ( 0.000 -3.604 0.000) 3.604 7.731 ( 0.000 -13.152 0.000) 13.152 7.903 ( 0.000 0.167 0.000) 0.167 7.919 ( 0.000 -7.380 0.000) 7.380 7.928 ( 0.000 -4.752 0.000) 4.752 8.062 ( 0.000 -5.944 0.000) 5.944 8.101 ( 0.000 -3.123 0.000) 3.123 8.279 ( 0.000 -0.041 0.000) 0.041 8.298 ( 0.000 1.834 0.000) 1.834 8.435 ( 0.000 -1.208 0.000) 1.208 8.477 ( 0.000 6.877 0.000) 6.877 8.478 ( 0.000 2.038 0.000) 2.038 8.494 ( 0.000 -9.950 0.000) 9.950 8.660 ( 0.000 6.655 0.000) 6.655 8.746 ( 0.000 1.139 0.000) 1.139 8.796 ( 0.000 -12.649 0.000) 12.649 8.851 ( 0.000 -4.059 0.000) 4.059 9.033 ( 0.000 -3.800 0.000) 3.800 9.238 ( 0.000 2.326 0.000) 2.326 9.270 ( 0.000 0.904 0.000) 0.904 9.393 ( 0.000 -5.316 0.000) 5.316 9.406 ( 0.000 -3.772 0.000) 3.772 9.478 ( 0.000 2.570 0.000) 2.570 9.523 ( 0.000 -0.875 0.000) 0.875 9.546 ( 0.000 -1.158 0.000) 1.158 9.611 ( 0.000 -3.678 0.000) 3.678 9.691 ( 0.000 1.087 0.000) 1.087 9.730 ( 0.000 4.431 0.000) 4.431 9.736 ( 0.000 4.079 0.000) 4.079 9.765 ( 0.000 4.628 0.000) 4.628 9.941 ( 0.000 1.213 0.000) 1.213 10.115 ( 0.000 0.671 0.000) 0.671 10.202 ( 0.000 -0.063 0.000) 0.063 10.209 ( 0.000 3.123 0.000) 3.123 10.214 ( 0.000 3.017 0.000) 3.017 10.279 ( 0.000 -1.965 0.000) 1.965 10.283 ( 0.000 -1.247 0.000) 1.247 10.321 ( 0.000 -0.432 0.000) 0.432 10.602 ( 0.000 2.780 0.000) 2.780 10.798 ( 0.000 -1.912 0.000) 1.912 10.848 ( 0.000 3.110 0.000) 3.110 10.861 ( 0.000 5.385 0.000) 5.385 10.979 ( 0.000 1.546 0.000) 1.546 11.191 ( 0.000 10.187 0.000) 10.187 11.306 ( 0.000 -9.540 0.000) 9.540 11.460 ( 0.000 -1.513 0.000) 1.513 11.466 ( 0.000 -1.205 0.000) 1.205 11.616 ( 0.000 -1.981 0.000) 1.981 11.715 ( 0.000 0.094 0.000) 0.094 11.750 ( 0.000 7.449 0.000) 7.449 11.759 ( 0.000 -2.330 0.000) 2.330 11.763 ( 0.000 5.763 0.000) 5.763 11.919 ( 0.000 11.872 0.000) 11.872 12.018 ( 0.000 -8.557 0.000) 8.557 12.073 ( 0.000 -5.563 0.000) 5.563 12.095 ( 0.000 2.620 0.000) 2.620 12.428 ( 0.000 -1.232 0.000) 1.232 12.474 ( 0.000 -4.255 0.000) 4.255 12.615 ( 0.000 4.036 0.000) 4.036 12.695 ( 0.000 -14.593 0.000) 14.593 12.744 ( 0.000 1.566 0.000) 1.566 13.018 ( 0.000 -19.044 0.000) 19.044 13.561 ( 0.000 4.925 0.000) 4.925 13.703 ( 0.000 2.204 0.000) 2.204 13.712 ( 0.000 0.605 0.000) 0.605 13.874 ( 0.000 -3.034 0.000) 3.034 13.999 ( 0.000 -0.598 0.000) 0.598 14.034 ( 0.000 2.035 0.000) 2.035 14.036 ( 0.000 7.856 0.000) 7.856 14.044 ( 0.000 -1.011 0.000) 1.011 14.160 ( 0.000 2.048 0.000) 2.048 14.337 ( 0.000 -2.401 0.000) 2.401 14.401 ( 0.000 -0.717 0.000) 0.717 14.441 ( 0.000 -0.222 0.000) 0.222 14.725 ( 0.000 9.188 0.000) 9.188 14.751 ( 0.000 0.402 0.000) 0.402 14.804 ( 0.000 -5.586 0.000) 5.586 14.914 ( 0.000 -1.433 0.000) 1.433 14.922 ( 0.000 -1.974 0.000) 1.974 14.983 ( 0.000 -1.355 0.000) 1.355 15.146 ( 0.000 1.103 0.000) 1.103 15.192 ( 0.000 -0.172 0.000) 0.172 15.237 ( 0.000 -0.254 0.000) 0.254 15.286 ( 0.000 -1.959 0.000) 1.959 15.570 ( 0.000 8.334 0.000) 8.334 15.811 ( 0.000 -0.022 0.000) 0.022 21.678 ( 0.000 -0.103 0.000) 0.103 21.685 ( 0.000 -0.380 0.000) 0.380 21.720 ( 0.000 0.114 0.000) 0.114 21.737 ( 0.000 -0.334 0.000) 0.334 21.895 ( 0.000 2.082 0.000) 2.082 22.031 ( 0.000 -1.342 0.000) 1.342 22.236 ( 0.000 1.558 0.000) 1.558 22.268 ( 0.000 0.100 0.000) 0.100 22.313 ( 0.000 -1.082 0.000) 1.082 22.356 ( 0.000 -1.484 0.000) 1.484 22.676 ( 0.000 0.718 0.000) 0.718 22.694 ( 0.000 0.429 0.000) 0.429 22.707 ( 0.000 -0.107 0.000) 0.107 22.770 ( 0.000 -1.791 0.000) 1.791 22.841 ( 0.000 1.884 0.000) 1.884 22.902 ( 0.000 1.388 0.000) 1.388 23.102 ( 0.000 0.141 0.000) 0.141 23.110 ( 0.000 -1.886 0.000) 1.886 23.122 ( 0.000 -0.364 0.000) 0.364 23.159 ( 0.000 -1.551 0.000) 1.551 23.235 ( 0.000 2.855 0.000) 2.855 23.360 ( 0.000 -1.017 0.000) 1.017 23.801 ( 0.000 2.428 0.000) 2.428 23.978 ( 0.000 -1.920 0.000) 1.920 24.919 ( 0.000 1.189 0.000) 1.189 24.979 ( 0.000 -0.275 0.000) 0.275 25.169 ( 0.000 1.282 0.000) 1.282 25.301 ( 0.000 -1.881 0.000) 1.881 25.357 ( 0.000 0.384 0.000) 0.384 25.398 ( 0.000 -0.893 0.000) 0.893 25.816 ( 0.000 3.974 0.000) 3.974 26.048 ( 0.000 -2.137 0.000) 2.137 26.638 ( 0.000 1.499 0.000) 1.499 26.688 ( 0.000 -0.079 0.000) 0.079 26.985 ( 0.000 1.544 0.000) 1.544 27.039 ( 0.000 0.460 0.000) 0.460 27.080 ( 0.000 -0.701 0.000) 0.701 27.345 ( 0.000 -9.145 0.000) 9.145 27.386 ( 0.000 2.916 0.000) 2.916 27.624 ( 0.000 -3.021 0.000) 3.021 28.292 ( 0.000 3.827 0.000) 3.827 28.574 ( 0.000 2.918 0.000) 2.918 28.597 ( 0.000 -3.574 0.000) 3.574 28.743 ( 0.000 14.901 0.000) 14.901 28.848 ( 0.000 -3.514 0.000) 3.514 29.662 ( 0.000 -9.475 0.000) 9.475 29.675 ( 0.000 0.612 0.000) 0.612 29.728 ( 0.000 -0.651 0.000) 0.651 30.754 ( 0.000 0.789 0.000) 0.789 30.827 ( 0.000 -0.963 0.000) 0.963 30.834 ( 0.000 1.599 0.000) 1.599 30.901 ( 0.000 0.374 0.000) 0.374 30.966 ( 0.000 -1.645 0.000) 1.645 30.967 ( 0.000 -0.997 0.000) 0.997 31.083 ( 0.000 3.823 0.000) 3.823 31.378 ( 0.000 -3.595 0.000) 3.595 39.587 ( 0.000 1.074 0.000) 1.074 39.621 ( 0.000 1.323 0.000) 1.323 39.679 ( 0.000 -1.138 0.000) 1.138 39.706 ( 0.000 1.008 0.000) 1.008 39.727 ( 0.000 -1.273 0.000) 1.273 39.801 ( 0.000 -1.660 0.000) 1.660 39.895 ( 0.000 1.416 0.000) 1.416 39.965 ( 0.000 -0.635 0.000) 0.635 69.919 ( 0.000 3.413 0.000) 3.413 70.229 ( 0.000 -5.297 0.000) 5.297 70.402 ( 0.000 2.610 0.000) 2.610 70.477 ( 0.000 -0.366 0.000) 0.366 72.095 ( 0.000 -1.145 0.000) 1.145 72.102 ( 0.000 -3.856 0.000) 3.856 72.405 ( 0.000 12.156 0.000) 12.156 73.154 ( 0.000 -8.627 0.000) 8.627 105.097 ( 0.000 0.178 0.000) 0.178 105.107 ( 0.000 -0.055 0.000) 0.055 105.148 ( 0.000 0.041 0.000) 0.041 105.158 ( 0.000 -0.161 0.000) 0.161 105.206 ( 0.000 0.719 0.000) 0.719 105.255 ( 0.000 -0.529 0.000) 0.529 105.310 ( 0.000 0.259 0.000) 0.259 105.339 ( 0.000 -0.433 0.000) 0.433 ======================= Grid point 8 (6/36) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 21.712 26.085 0.000) 33.939 0.973 ( 18.734 26.589 0.000) 32.526 1.735 ( 30.009 54.383 0.000) 62.113 2.308 ( -14.801 -7.512 0.000) 16.598 2.439 ( -7.724 -16.366 0.000) 18.097 2.555 ( -7.523 -0.873 0.000) 7.574 2.639 ( -2.066 0.533 0.000) 2.133 2.750 ( 0.871 1.769 0.000) 1.972 2.769 ( -7.281 0.013 0.000) 7.281 2.911 ( -9.138 0.962 0.000) 9.188 3.155 ( -8.401 6.210 0.000) 10.447 3.160 ( 8.405 -9.269 0.000) 12.513 3.249 ( -16.224 1.802 0.000) 16.324 3.379 ( 12.035 -3.397 0.000) 12.505 3.394 ( 9.675 3.373 0.000) 10.246 3.457 ( -16.602 3.586 0.000) 16.985 3.550 ( -9.551 3.767 0.000) 10.267 3.553 ( -6.731 5.438 0.000) 8.653 3.599 ( -0.814 2.905 0.000) 3.016 3.704 ( 0.209 -2.338 0.000) 2.347 3.783 ( 0.363 0.383 0.000) 0.527 3.875 ( 9.127 5.723 0.000) 10.773 4.098 ( 13.432 -2.828 0.000) 13.727 4.129 ( 11.242 -5.927 0.000) 12.709 4.183 ( 7.599 -4.301 0.000) 8.732 4.190 ( 17.003 0.917 0.000) 17.028 4.330 ( -7.231 -8.657 0.000) 11.280 4.408 ( 11.901 5.487 0.000) 13.105 4.466 ( 1.544 0.334 0.000) 1.579 4.471 ( 8.215 0.168 0.000) 8.217 4.628 ( -0.068 -4.671 0.000) 4.672 4.758 ( 0.701 0.015 0.000) 0.701 4.759 ( 3.043 -9.430 0.000) 9.909 4.829 ( 0.443 -7.775 0.000) 7.788 4.912 ( -6.132 5.681 0.000) 8.359 5.003 ( 6.420 -3.047 0.000) 7.106 5.106 ( 2.562 -7.098 0.000) 7.546 5.115 ( -3.101 4.157 0.000) 5.186 5.200 ( 9.363 4.386 0.000) 10.339 5.227 ( -6.380 1.636 0.000) 6.587 5.386 ( -0.681 -1.571 0.000) 1.712 5.391 ( -2.391 -3.573 0.000) 4.299 5.475 ( -10.158 2.221 0.000) 10.398 5.477 ( 6.048 -5.617 0.000) 8.254 5.633 ( 2.364 -3.442 0.000) 4.176 5.636 ( -3.032 3.467 0.000) 4.606 5.720 ( -6.083 -1.036 0.000) 6.171 5.764 ( -6.599 -0.363 0.000) 6.609 5.879 ( -9.007 -0.968 0.000) 9.059 5.956 ( -3.297 3.682 0.000) 4.943 5.958 ( 2.788 5.866 0.000) 6.495 6.038 ( -1.658 -17.322 0.000) 17.401 6.130 ( -3.491 -6.290 0.000) 7.194 6.157 ( -7.626 8.891 0.000) 11.713 6.308 ( -3.625 6.398 0.000) 7.354 6.403 ( -1.729 0.803 0.000) 1.906 6.410 ( 4.489 -4.223 0.000) 6.163 6.593 ( -7.708 -2.909 0.000) 8.239 6.615 ( -5.845 1.123 0.000) 5.952 6.662 ( 1.390 2.954 0.000) 3.265 6.709 ( 3.876 -3.355 0.000) 5.126 6.889 ( 8.794 1.447 0.000) 8.912 6.895 ( -1.687 1.662 0.000) 2.368 6.972 ( 5.193 0.409 0.000) 5.209 6.977 ( 6.853 6.706 0.000) 9.588 7.090 ( 0.066 1.281 0.000) 1.283 7.158 ( 1.932 -1.342 0.000) 2.352 7.214 ( -5.532 3.942 0.000) 6.793 7.237 ( -4.491 12.128 0.000) 12.933 7.309 ( 3.824 1.026 0.000) 3.959 7.336 ( -5.836 2.980 0.000) 6.553 7.438 ( 9.121 7.122 0.000) 11.573 7.520 ( 6.381 3.160 0.000) 7.120 7.538 ( -3.875 -2.586 0.000) 4.659 7.641 ( -2.072 -3.762 0.000) 4.295 7.775 ( 1.575 -9.238 0.000) 9.371 7.824 ( -6.737 -6.874 0.000) 9.625 7.866 ( -1.869 -6.271 0.000) 6.544 7.969 ( 2.314 -0.261 0.000) 2.329 8.014 ( -2.356 -4.553 0.000) 5.126 8.085 ( -1.200 -0.875 0.000) 1.485 8.296 ( -6.485 11.799 0.000) 13.464 8.298 ( -3.045 3.905 0.000) 4.952 8.343 ( 4.827 -0.021 0.000) 4.827 8.409 ( 0.657 -1.018 0.000) 1.212 8.473 ( 2.420 2.753 0.000) 3.665 8.519 ( 1.926 -8.036 0.000) 8.264 8.671 ( 1.196 6.366 0.000) 6.478 8.745 ( 1.001 0.360 0.000) 1.064 8.797 ( -0.959 -11.542 0.000) 11.582 8.905 ( 1.317 -5.225 0.000) 5.389 8.993 ( -3.347 -2.187 0.000) 3.998 9.296 ( 3.739 -3.388 0.000) 5.046 9.300 ( -3.381 -2.965 0.000) 4.497 9.382 ( -2.340 -3.896 0.000) 4.545 9.421 ( 2.107 0.118 0.000) 2.110 9.458 ( 1.119 1.221 0.000) 1.656 9.551 ( 2.432 -2.656 0.000) 3.601 9.569 ( 0.318 -2.406 0.000) 2.427 9.588 ( -2.259 -1.947 0.000) 2.982 9.692 ( 0.179 0.948 0.000) 0.964 9.721 ( -1.838 3.484 0.000) 3.939 9.792 ( 5.355 2.749 0.000) 6.020 9.794 ( 3.001 1.685 0.000) 3.441 9.878 ( -6.208 1.844 0.000) 6.476 10.058 ( -6.280 -1.992 0.000) 6.588 10.113 ( 1.013 1.154 0.000) 1.535 10.191 ( -2.769 0.311 0.000) 2.786 10.245 ( 2.226 3.437 0.000) 4.094 10.266 ( 2.926 2.269 0.000) 3.702 10.316 ( 4.878 0.885 0.000) 4.957 10.503 ( 4.609 -0.426 0.000) 4.628 10.644 ( 4.656 1.183 0.000) 4.804 10.785 ( -8.611 10.719 0.000) 13.749 10.849 ( 5.011 -1.545 0.000) 5.244 10.878 ( 2.181 3.668 0.000) 4.268 10.959 ( -5.181 16.470 0.000) 17.266 10.985 ( -0.413 2.047 0.000) 2.088 11.267 ( -4.778 -8.619 0.000) 9.855 11.391 ( -1.637 0.484 0.000) 1.707 11.524 ( 2.370 -0.038 0.000) 2.370 11.594 ( -2.252 -1.196 0.000) 2.550 11.679 ( -0.418 3.575 0.000) 3.599 11.739 ( -5.358 -0.893 0.000) 5.432 11.770 ( 2.334 7.383 0.000) 7.743 11.795 ( -6.340 1.158 0.000) 6.445 11.888 ( 8.893 -0.902 0.000) 8.939 11.899 ( -7.056 6.841 0.000) 9.827 12.097 ( 0.818 2.648 0.000) 2.772 12.133 ( 5.998 -5.381 0.000) 8.058 12.249 ( -6.995 3.962 0.000) 8.039 12.457 ( -2.996 -0.191 0.000) 3.002 12.513 ( -17.247 0.460 0.000) 17.253 12.719 ( 2.530 -14.791 0.000) 15.006 12.787 ( 1.072 -14.043 0.000) 14.084 12.950 ( -2.331 -13.418 0.000) 13.619 13.559 ( -0.077 4.805 0.000) 4.805 13.724 ( 0.723 -0.061 0.000) 0.726 13.751 ( 1.745 0.494 0.000) 1.814 13.873 ( -0.075 -1.951 0.000) 1.952 13.953 ( -2.012 4.401 0.000) 4.839 13.986 ( -2.790 3.457 0.000) 4.442 14.049 ( -0.044 -2.612 0.000) 2.612 14.071 ( 1.307 4.321 0.000) 4.514 14.304 ( 12.751 0.518 0.000) 12.761 14.336 ( 9.021 3.188 0.000) 9.568 14.429 ( 3.223 -2.483 0.000) 4.068 14.639 ( 4.342 -3.251 0.000) 5.424 14.711 ( -3.313 0.927 0.000) 3.440 14.762 ( -3.851 -2.695 0.000) 4.700 14.767 ( -0.692 6.496 0.000) 6.532 14.921 ( 2.925 -0.470 0.000) 2.963 15.006 ( 4.683 -5.645 0.000) 7.335 15.084 ( 7.864 -2.285 0.000) 8.189 15.145 ( -4.938 0.083 0.000) 4.939 15.242 ( 2.721 0.499 0.000) 2.767 15.247 ( -4.254 -2.086 0.000) 4.738 15.517 ( 19.581 -14.490 0.000) 24.359 15.543 ( -2.735 9.142 0.000) 9.543 15.808 ( -0.401 -0.121 0.000) 0.419 21.681 ( 0.255 -0.115 0.000) 0.280 21.687 ( 0.285 -0.368 0.000) 0.466 21.716 ( -0.407 0.035 0.000) 0.408 21.733 ( -0.536 -0.393 0.000) 0.665 21.917 ( 2.362 2.085 0.000) 3.150 22.054 ( 2.414 -1.355 0.000) 2.768 22.209 ( -2.996 1.833 0.000) 3.512 22.264 ( 0.245 0.566 0.000) 0.617 22.337 ( -2.074 -1.497 0.000) 2.558 22.357 ( 4.014 -1.936 0.000) 4.457 22.581 ( -8.278 3.836 0.000) 9.124 22.603 ( -5.615 1.467 0.000) 5.803 22.611 ( -8.068 1.970 0.000) 8.306 22.688 ( -2.280 -0.757 0.000) 2.403 22.739 ( -3.276 -1.439 0.000) 3.578 22.876 ( -4.900 -3.199 0.000) 5.852 23.165 ( 4.810 0.139 0.000) 4.812 23.184 ( 6.668 -0.295 0.000) 6.674 23.211 ( 8.182 0.612 0.000) 8.205 23.257 ( 5.168 0.623 0.000) 5.205 23.367 ( 5.211 1.032 0.000) 5.312 23.656 ( 16.586 -11.906 0.000) 20.417 23.782 ( -2.129 2.700 0.000) 3.438 23.975 ( -0.393 -2.057 0.000) 2.095 24.949 ( 3.353 1.233 0.000) 3.572 25.141 ( 6.500 -6.026 0.000) 8.863 25.227 ( 6.551 0.950 0.000) 6.620 25.325 ( -3.303 0.744 0.000) 3.385 25.395 ( -0.597 -1.069 0.000) 1.224 25.488 ( 16.414 -15.570 0.000) 22.624 25.819 ( 0.216 2.886 0.000) 2.894 25.996 ( -5.633 -1.593 0.000) 5.854 26.643 ( 1.006 1.541 0.000) 1.840 26.727 ( 3.729 -0.804 0.000) 3.815 26.980 ( -4.877 0.528 0.000) 4.905 26.998 ( 1.484 1.980 0.000) 2.474 27.081 ( -1.367 -2.419 0.000) 2.778 27.346 ( -4.404 3.426 0.000) 5.580 27.350 ( 0.503 -8.201 0.000) 8.216 27.530 ( -6.433 2.346 0.000) 6.848 28.327 ( 3.686 4.359 0.000) 5.708 28.569 ( -0.486 3.328 0.000) 3.363 28.595 ( -0.436 2.446 0.000) 2.484 28.698 ( -3.717 11.018 0.000) 11.628 28.916 ( 6.197 -0.577 0.000) 6.224 29.566 ( -5.864 -0.073 0.000) 5.865 29.645 ( -1.773 -9.459 0.000) 9.624 29.661 ( -7.056 -1.004 0.000) 7.127 30.755 ( 0.887 1.419 0.000) 1.673 30.849 ( 1.488 0.893 0.000) 1.736 30.854 ( 1.872 -0.960 0.000) 2.104 30.891 ( -1.075 0.464 0.000) 1.171 30.959 ( -0.814 -1.000 0.000) 1.290 30.991 ( 2.686 -1.792 0.000) 3.229 31.066 ( -1.853 3.604 0.000) 4.052 31.346 ( -3.330 -3.433 0.000) 4.783 39.596 ( 0.924 1.071 0.000) 1.414 39.631 ( 1.041 1.266 0.000) 1.639 39.690 ( 1.145 -1.103 0.000) 1.590 39.699 ( -0.766 1.007 0.000) 1.265 39.734 ( 0.817 -1.195 0.000) 1.448 39.782 ( -1.865 -0.403 0.000) 1.908 39.872 ( -3.006 1.678 0.000) 3.443 39.887 ( -3.493 1.722 0.000) 3.894 70.091 ( 17.576 3.240 0.000) 17.872 70.202 ( 14.845 5.537 0.000) 15.844 70.535 ( 17.952 2.250 0.000) 18.093 71.932 ( 69.579 -73.526 0.000) 101.229 71.942 ( -14.814 -1.612 0.000) 14.901 72.008 ( -11.642 -2.653 0.000) 11.940 72.291 ( -12.203 12.430 0.000) 17.419 73.139 ( -1.730 -10.465 0.000) 10.607 105.110 ( 0.569 -0.175 0.000) 0.595 105.129 ( 2.041 -1.456 0.000) 2.507 105.147 ( -0.141 0.081 0.000) 0.163 105.162 ( 0.350 -0.157 0.000) 0.384 105.210 ( 0.496 0.577 0.000) 0.761 105.251 ( -0.412 -0.429 0.000) 0.595 105.291 ( -2.922 2.053 0.000) 3.572 105.302 ( -1.140 0.377 0.000) 1.201 ======================= Grid point 9 (7/36) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 20.920 7.017 0.000) 22.066 1.370 ( 21.319 13.713 0.000) 25.349 2.105 ( -0.979 24.761 0.000) 24.780 2.127 ( -1.990 -11.532 0.000) 11.703 2.219 ( -13.698 -7.143 0.000) 15.449 2.564 ( 13.461 13.883 0.000) 19.338 2.566 ( -9.142 -7.574 0.000) 11.871 2.685 ( -1.665 0.427 0.000) 1.718 2.711 ( -5.203 4.288 0.000) 6.742 2.810 ( 2.638 5.495 0.000) 6.096 2.854 ( -18.470 8.545 0.000) 20.351 3.019 ( -12.147 6.433 0.000) 13.745 3.146 ( -7.076 3.741 0.000) 8.004 3.165 ( -4.689 -7.863 0.000) 9.155 3.406 ( -3.502 6.547 0.000) 7.425 3.439 ( -1.257 10.646 0.000) 10.720 3.472 ( -3.530 1.635 0.000) 3.890 3.623 ( -4.750 -4.353 0.000) 6.443 3.698 ( 16.232 -7.586 0.000) 17.917 3.847 ( 3.228 2.436 0.000) 4.044 3.854 ( 21.194 -3.728 0.000) 21.520 4.058 ( -3.938 -3.200 0.000) 5.074 4.146 ( -0.715 3.971 0.000) 4.035 4.202 ( -10.199 -5.381 0.000) 11.532 4.281 ( 16.452 2.725 0.000) 16.677 4.298 ( 3.980 -10.575 0.000) 11.299 4.490 ( 14.617 -4.610 0.000) 15.327 4.544 ( 1.927 0.164 0.000) 1.934 4.609 ( 7.013 0.098 0.000) 7.014 4.662 ( 12.969 0.123 0.000) 12.970 4.676 ( 1.479 3.254 0.000) 3.574 4.764 ( -8.324 9.553 0.000) 12.671 4.841 ( 4.931 -1.210 0.000) 5.078 4.841 ( 6.397 -2.380 0.000) 6.825 4.908 ( -3.583 7.238 0.000) 8.076 4.915 ( 3.136 -1.319 0.000) 3.402 5.076 ( 3.048 -4.543 0.000) 5.471 5.115 ( -1.931 -10.995 0.000) 11.163 5.155 ( -6.636 -1.516 0.000) 6.806 5.288 ( -5.546 -2.420 0.000) 6.051 5.339 ( -8.721 4.525 0.000) 9.825 5.358 ( -1.171 -0.469 0.000) 1.261 5.406 ( 11.319 1.289 0.000) 11.392 5.472 ( -4.897 -1.559 0.000) 5.139 5.553 ( 0.275 -1.022 0.000) 1.058 5.636 ( -9.222 1.814 0.000) 9.399 5.659 ( -0.259 1.623 0.000) 1.644 5.774 ( -1.186 3.532 0.000) 3.725 5.796 ( 6.587 2.935 0.000) 7.212 5.892 ( 0.203 -6.788 0.000) 6.791 5.982 ( -4.298 0.033 0.000) 4.298 6.029 ( 2.984 -4.919 0.000) 5.754 6.047 ( -4.230 -1.595 0.000) 4.521 6.067 ( -0.534 -1.937 0.000) 2.009 6.237 ( -1.492 4.345 0.000) 4.594 6.356 ( -9.857 1.219 0.000) 9.932 6.401 ( -1.568 -1.072 0.000) 1.900 6.506 ( -1.427 -13.089 0.000) 13.167 6.570 ( 4.400 7.157 0.000) 8.401 6.705 ( 0.685 -3.110 0.000) 3.184 6.727 ( -6.155 -4.328 0.000) 7.525 6.859 ( -2.304 -1.230 0.000) 2.611 6.952 ( -1.470 10.018 0.000) 10.125 7.018 ( 1.573 -6.921 0.000) 7.097 7.027 ( -6.935 5.059 0.000) 8.584 7.061 ( -3.016 6.875 0.000) 7.508 7.126 ( 0.327 4.460 0.000) 4.472 7.174 ( -7.885 -2.598 0.000) 8.302 7.199 ( 3.614 3.871 0.000) 5.296 7.208 ( 3.950 0.633 0.000) 4.001 7.361 ( -1.825 -1.099 0.000) 2.131 7.448 ( -5.512 -0.346 0.000) 5.523 7.574 ( 4.211 4.278 0.000) 6.003 7.574 ( -0.524 -3.324 0.000) 3.365 7.632 ( 5.820 5.334 0.000) 7.894 7.748 ( -1.458 -9.361 0.000) 9.474 7.805 ( 0.125 0.585 0.000) 0.598 7.839 ( -1.606 -10.365 0.000) 10.489 8.002 ( 1.671 -0.774 0.000) 1.841 8.006 ( 1.193 -0.188 0.000) 1.207 8.082 ( 0.997 3.261 0.000) 3.410 8.204 ( -4.839 4.337 0.000) 6.498 8.270 ( 2.039 2.983 0.000) 3.613 8.385 ( -1.355 -1.908 0.000) 2.340 8.496 ( 6.896 1.312 0.000) 7.020 8.566 ( 2.808 -2.972 0.000) 4.089 8.589 ( 7.568 0.992 0.000) 7.633 8.724 ( 5.536 3.107 0.000) 6.348 8.743 ( -3.832 -4.121 0.000) 5.627 8.776 ( 1.638 -1.902 0.000) 2.510 8.926 ( -4.051 -3.140 0.000) 5.126 8.930 ( 0.744 -3.334 0.000) 3.416 9.137 ( -8.465 4.431 0.000) 9.555 9.282 ( -8.606 0.722 0.000) 8.636 9.356 ( 3.101 -3.940 0.000) 5.014 9.434 ( -0.283 1.926 0.000) 1.946 9.522 ( -2.920 0.296 0.000) 2.935 9.529 ( 0.873 -5.741 0.000) 5.807 9.574 ( -0.223 -1.328 0.000) 1.347 9.580 ( 1.021 -0.280 0.000) 1.059 9.695 ( -0.305 2.541 0.000) 2.560 9.708 ( 3.293 1.953 0.000) 3.828 9.772 ( -3.774 2.197 0.000) 4.367 9.853 ( 3.108 -1.794 0.000) 3.589 9.934 ( 10.067 -2.991 0.000) 10.502 10.025 ( -0.640 -5.707 0.000) 5.743 10.078 ( -6.411 -0.657 0.000) 6.444 10.177 ( 1.122 -3.733 0.000) 3.898 10.300 ( 3.693 6.816 0.000) 7.752 10.308 ( 2.648 3.608 0.000) 4.476 10.396 ( 2.709 3.636 0.000) 4.534 10.510 ( -2.365 2.354 0.000) 3.337 10.676 ( -2.023 10.606 0.000) 10.797 10.703 ( 0.511 1.235 0.000) 1.337 10.905 ( 2.313 2.060 0.000) 3.098 10.945 ( 0.685 6.682 0.000) 6.717 11.004 ( 2.084 -0.104 0.000) 2.087 11.006 ( 10.167 -2.333 0.000) 10.432 11.160 ( -5.847 -4.193 0.000) 7.195 11.401 ( 2.108 -0.292 0.000) 2.128 11.514 ( -15.452 -2.347 0.000) 15.629 11.535 ( -4.019 -0.501 0.000) 4.050 11.561 ( 1.886 2.600 0.000) 3.212 11.706 ( -5.675 2.864 0.000) 6.357 11.732 ( 6.127 2.890 0.000) 6.774 11.827 ( 3.458 5.627 0.000) 6.605 11.844 ( 0.409 2.863 0.000) 2.892 12.008 ( 3.355 -1.096 0.000) 3.529 12.100 ( -9.887 4.554 0.000) 10.886 12.148 ( 5.202 1.781 0.000) 5.498 12.228 ( -12.195 1.598 0.000) 12.299 12.295 ( 11.253 -6.991 0.000) 13.247 12.376 ( -5.707 -2.118 0.000) 6.088 12.695 ( -8.180 -11.183 0.000) 13.856 12.783 ( 4.240 -15.237 0.000) 15.816 12.925 ( -2.077 -14.664 0.000) 14.810 13.566 ( 1.020 4.404 0.000) 4.521 13.675 ( -4.171 1.614 0.000) 4.472 13.819 ( 4.176 -0.899 0.000) 4.272 13.874 ( 0.165 1.164 0.000) 1.175 13.913 ( -2.474 4.995 0.000) 5.574 13.935 ( -2.737 0.257 0.000) 2.749 14.059 ( 0.812 -3.183 0.000) 3.285 14.081 ( -0.201 2.123 0.000) 2.132 14.460 ( 5.976 0.401 0.000) 5.989 14.551 ( 9.036 1.441 0.000) 9.150 14.584 ( 12.495 0.673 0.000) 12.514 14.646 ( -3.721 1.482 0.000) 4.005 14.693 ( -3.376 1.719 0.000) 3.788 14.742 ( 7.453 0.272 0.000) 7.458 14.799 ( 6.200 3.010 0.000) 6.892 14.968 ( -0.694 -2.750 0.000) 2.836 15.021 ( -6.710 0.616 0.000) 6.738 15.064 ( 0.783 -5.484 0.000) 5.540 15.134 ( -7.261 -3.134 0.000) 7.908 15.152 ( -0.061 -4.270 0.000) 4.271 15.326 ( 5.462 6.253 0.000) 8.303 15.480 ( -3.781 10.733 0.000) 11.380 15.716 ( 5.096 -5.686 0.000) 7.635 15.796 ( -0.885 -0.514 0.000) 1.023 21.686 ( 0.323 -0.079 0.000) 0.333 21.696 ( 0.649 -0.403 0.000) 0.764 21.705 ( -0.706 0.026 0.000) 0.707 21.722 ( -0.614 -0.424 0.000) 0.746 21.976 ( 3.853 2.078 0.000) 4.378 22.115 ( 4.122 -1.441 0.000) 4.366 22.136 ( -4.479 2.039 0.000) 4.921 22.281 ( -3.959 -1.585 0.000) 4.265 22.288 ( 2.418 1.091 0.000) 2.653 22.436 ( 3.160 -3.175 0.000) 4.479 22.467 ( -6.957 1.426 0.000) 7.102 22.481 ( -3.617 1.484 0.000) 3.910 22.528 ( -0.664 2.063 0.000) 2.167 22.648 ( -1.527 -1.359 0.000) 2.044 22.676 ( -3.113 -1.653 0.000) 3.525 22.755 ( -7.488 -3.910 0.000) 8.448 23.258 ( 4.943 0.701 0.000) 4.992 23.313 ( 6.273 -0.698 0.000) 6.312 23.329 ( 2.701 1.047 0.000) 2.897 23.368 ( 5.494 -0.464 0.000) 5.514 23.465 ( 6.383 4.661 0.000) 7.904 23.720 ( -4.771 3.525 0.000) 5.932 23.844 ( 6.200 -5.843 0.000) 8.520 23.961 ( -1.222 -2.527 0.000) 2.807 25.032 ( 5.390 1.520 0.000) 5.601 25.232 ( 4.549 -3.259 0.000) 5.596 25.244 ( -5.273 1.381 0.000) 5.451 25.370 ( -2.218 -1.643 0.000) 2.760 25.393 ( 11.243 1.211 0.000) 11.308 25.707 ( 7.225 -12.015 0.000) 14.020 25.810 ( -2.731 -0.264 0.000) 2.744 25.852 ( -8.391 -0.043 0.000) 8.391 26.684 ( 3.522 1.343 0.000) 3.769 26.813 ( 5.327 -2.302 0.000) 5.803 26.878 ( -6.020 0.448 0.000) 6.037 27.021 ( -4.865 -3.601 0.000) 6.053 27.044 ( 3.603 3.059 0.000) 4.727 27.241 ( -6.292 4.312 0.000) 7.627 27.365 ( 1.192 -5.723 0.000) 5.846 27.443 ( -3.320 0.879 0.000) 3.435 28.414 ( 5.383 5.573 0.000) 7.748 28.558 ( -0.767 4.468 0.000) 4.533 28.582 ( -0.824 6.259 0.000) 6.313 28.623 ( -4.246 8.876 0.000) 9.839 29.061 ( 9.357 -0.804 0.000) 9.392 29.464 ( -9.746 -2.997 0.000) 10.196 29.538 ( -1.690 -5.196 0.000) 5.464 29.601 ( -2.707 -9.331 0.000) 9.716 30.784 ( 2.033 1.217 0.000) 2.369 30.863 ( -1.879 0.691 0.000) 2.002 30.878 ( 1.597 -0.925 0.000) 1.845 30.898 ( 2.941 1.530 0.000) 3.315 30.938 ( -1.429 -1.011 0.000) 1.750 31.019 ( -3.071 3.044 0.000) 4.324 31.061 ( 4.719 -2.128 0.000) 5.177 31.264 ( -5.373 -3.032 0.000) 6.169 39.619 ( 1.546 1.057 0.000) 1.873 39.658 ( 1.874 1.116 0.000) 2.181 39.679 ( -1.387 1.013 0.000) 1.718 39.720 ( 2.077 -0.985 0.000) 2.298 39.742 ( -2.388 0.650 0.000) 2.475 39.757 ( 1.614 -0.949 0.000) 1.872 39.814 ( -2.835 0.133 0.000) 2.838 39.839 ( -2.581 0.264 0.000) 2.594 70.516 ( 27.385 1.660 0.000) 27.435 70.627 ( 28.748 4.787 0.000) 29.144 70.973 ( 27.912 6.181 0.000) 28.588 71.570 ( -24.980 -0.781 0.000) 24.993 71.682 ( -23.201 -0.839 0.000) 23.216 71.971 ( -21.985 12.111 0.000) 25.100 72.698 ( 22.410 -47.500 0.000) 52.521 73.084 ( -4.462 -16.096 0.000) 16.703 105.122 ( 0.712 -0.005 0.000) 0.712 105.143 ( -0.340 0.147 0.000) 0.370 105.159 ( 1.187 -1.579 0.000) 1.975 105.169 ( 0.391 -0.282 0.000) 0.482 105.224 ( 0.978 0.259 0.000) 1.012 105.242 ( -0.449 -0.034 0.000) 0.451 105.250 ( -1.480 1.908 0.000) 2.414 105.278 ( -1.500 0.117 0.000) 1.504 ======================= Grid point 10 (8/36) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -0.596 0.511 0.000) 0.786 1.601 ( 0.596 0.511 0.000) 0.786 2.057 ( -0.791 4.818 0.000) 4.882 2.057 ( 0.791 4.818 0.000) 4.882 2.252 ( -17.911 -3.854 0.000) 18.321 2.252 ( 17.911 -3.854 0.000) 18.321 2.636 ( -3.428 1.234 0.000) 3.643 2.636 ( 3.428 1.234 0.000) 3.643 2.705 ( -0.934 10.890 0.000) 10.930 2.705 ( 0.934 10.890 0.000) 10.930 2.911 ( -3.055 11.043 0.000) 11.458 2.911 ( 3.055 11.043 0.000) 11.458 3.101 ( -0.847 -6.909 0.000) 6.960 3.101 ( 0.847 -6.909 0.000) 6.960 3.396 ( -2.981 4.186 0.000) 5.139 3.396 ( 2.981 4.186 0.000) 5.139 3.549 ( -7.027 7.706 0.000) 10.429 3.549 ( 7.027 7.706 0.000) 10.429 3.854 ( -6.078 -8.074 0.000) 10.106 3.854 ( 6.078 -8.074 0.000) 10.106 3.978 ( -0.689 2.059 0.000) 2.171 3.978 ( 0.689 2.059 0.000) 2.171 4.227 ( -17.247 -11.817 0.000) 20.907 4.227 ( 17.247 -11.817 0.000) 20.907 4.294 ( -14.531 9.602 0.000) 17.417 4.294 ( 14.531 9.602 0.000) 17.417 4.587 ( -10.969 2.800 0.000) 11.321 4.587 ( 10.969 2.800 0.000) 11.321 4.704 ( -4.295 -4.005 0.000) 5.873 4.704 ( 4.295 -4.005 0.000) 5.873 4.800 ( -2.191 0.013 0.000) 2.191 4.800 ( 2.191 0.013 0.000) 2.191 4.808 ( -3.451 -0.334 0.000) 3.467 4.808 ( 3.451 -0.334 0.000) 3.467 5.028 ( -2.528 -1.400 0.000) 2.890 5.028 ( 2.528 -1.400 0.000) 2.890 5.050 ( -11.488 2.500 0.000) 11.757 5.050 ( 11.488 2.500 0.000) 11.757 5.204 ( -8.497 -4.802 0.000) 9.760 5.204 ( 8.497 -4.802 0.000) 9.760 5.217 ( -12.574 2.507 0.000) 12.822 5.217 ( 12.574 2.507 0.000) 12.822 5.455 ( -5.421 7.967 0.000) 9.637 5.455 ( 5.421 7.967 0.000) 9.637 5.633 ( -1.832 -0.658 0.000) 1.947 5.633 ( 1.832 -0.658 0.000) 1.947 5.662 ( -11.898 0.264 0.000) 11.901 5.662 ( 11.898 0.264 0.000) 11.901 5.886 ( -1.248 -13.885 0.000) 13.941 5.886 ( 1.248 -13.885 0.000) 13.941 5.939 ( -7.702 3.627 0.000) 8.513 5.939 ( 7.702 3.627 0.000) 8.513 6.147 ( -9.718 2.423 0.000) 10.016 6.147 ( 9.718 2.423 0.000) 10.016 6.223 ( -9.125 0.718 0.000) 9.153 6.223 ( 9.125 0.718 0.000) 9.153 6.378 ( -4.536 -7.474 0.000) 8.742 6.378 ( 4.536 -7.474 0.000) 8.742 6.666 ( -2.990 -4.718 0.000) 5.586 6.666 ( 2.990 -4.718 0.000) 5.586 6.733 ( -10.639 3.461 0.000) 11.188 6.733 ( 10.639 3.461 0.000) 11.188 6.941 ( -0.484 8.268 0.000) 8.282 6.941 ( 0.484 8.268 0.000) 8.282 7.044 ( -1.421 2.427 0.000) 2.812 7.044 ( 1.421 2.427 0.000) 2.812 7.106 ( -0.447 -6.082 0.000) 6.098 7.106 ( 0.447 -6.082 0.000) 6.098 7.284 ( -4.609 1.707 0.000) 4.915 7.284 ( 4.609 1.707 0.000) 4.915 7.329 ( -7.295 0.371 0.000) 7.304 7.329 ( 7.295 0.371 0.000) 7.304 7.594 ( -0.909 -2.203 0.000) 2.383 7.594 ( 0.909 -2.203 0.000) 2.383 7.731 ( -3.849 4.967 0.000) 6.284 7.731 ( 3.849 4.967 0.000) 6.284 7.797 ( -2.140 -8.550 0.000) 8.813 7.797 ( 2.140 -8.550 0.000) 8.813 8.029 ( -0.167 -1.651 0.000) 1.659 8.029 ( 0.167 -1.651 0.000) 1.659 8.123 ( -3.726 5.800 0.000) 6.894 8.123 ( 3.726 5.800 0.000) 6.894 8.330 ( -3.755 -0.580 0.000) 3.800 8.330 ( 3.755 -0.580 0.000) 3.800 8.589 ( -1.925 1.682 0.000) 2.556 8.589 ( 1.925 1.682 0.000) 2.556 8.674 ( -2.996 -2.866 0.000) 4.146 8.674 ( 2.996 -2.866 0.000) 4.146 8.804 ( -0.816 -0.526 0.000) 0.971 8.804 ( 0.816 -0.526 0.000) 0.971 8.903 ( -3.397 -3.261 0.000) 4.709 8.903 ( 3.397 -3.261 0.000) 4.709 9.117 ( -6.371 6.092 0.000) 8.815 9.117 ( 6.371 6.092 0.000) 8.815 9.414 ( -2.548 -0.642 0.000) 2.628 9.414 ( 2.548 -0.642 0.000) 2.628 9.499 ( -0.950 -2.251 0.000) 2.443 9.499 ( 0.950 -2.251 0.000) 2.443 9.576 ( -0.490 -0.853 0.000) 0.983 9.576 ( 0.490 -0.853 0.000) 0.983 9.712 ( -1.805 1.862 0.000) 2.593 9.712 ( 1.805 1.862 0.000) 2.593 9.844 ( -6.372 1.097 0.000) 6.466 9.844 ( 6.372 1.097 0.000) 6.466 9.999 ( -0.487 -5.456 0.000) 5.477 9.999 ( 0.487 -5.456 0.000) 5.477 10.112 ( -7.722 -5.093 0.000) 9.251 10.112 ( 7.722 -5.093 0.000) 9.251 10.352 ( -0.572 4.792 0.000) 4.826 10.352 ( 0.572 4.792 0.000) 4.826 10.443 ( -3.928 4.348 0.000) 5.859 10.443 ( 3.928 4.348 0.000) 5.859 10.682 ( -1.699 5.165 0.000) 5.437 10.682 ( 1.699 5.165 0.000) 5.437 10.943 ( -1.270 2.819 0.000) 3.092 10.943 ( 1.270 2.819 0.000) 3.092 11.064 ( -4.326 -1.798 0.000) 4.685 11.064 ( 4.326 -1.798 0.000) 4.685 11.232 ( -14.179 -2.652 0.000) 14.425 11.232 ( 14.179 -2.652 0.000) 14.425 11.458 ( -3.915 -0.290 0.000) 3.926 11.458 ( 3.915 -0.290 0.000) 3.926 11.612 ( -4.015 3.827 0.000) 5.546 11.612 ( 4.015 3.827 0.000) 5.546 11.847 ( -2.123 1.776 0.000) 2.768 11.847 ( 2.123 1.776 0.000) 2.768 11.910 ( -8.646 2.611 0.000) 9.031 11.910 ( 8.646 2.611 0.000) 9.031 12.072 ( -5.273 3.782 0.000) 6.489 12.072 ( 5.273 3.782 0.000) 6.489 12.261 ( -6.443 -1.230 0.000) 6.559 12.261 ( 6.443 -1.230 0.000) 6.559 12.513 ( -11.412 -9.023 0.000) 14.548 12.513 ( 11.412 -9.023 0.000) 14.548 12.864 ( -4.218 -15.446 0.000) 16.011 12.864 ( 4.218 -15.446 0.000) 16.011 13.604 ( -3.132 3.498 0.000) 4.696 13.604 ( 3.132 3.498 0.000) 4.696 13.878 ( -0.363 0.377 0.000) 0.523 13.878 ( 0.363 0.377 0.000) 0.523 13.887 ( -1.735 2.194 0.000) 2.797 13.887 ( 1.735 2.194 0.000) 2.797 14.071 ( -0.608 -1.155 0.000) 1.305 14.071 ( 0.608 -1.155 0.000) 1.305 14.566 ( -5.172 1.304 0.000) 5.334 14.566 ( 5.172 1.304 0.000) 5.334 14.639 ( -2.771 4.420 0.000) 5.217 14.639 ( 2.771 4.420 0.000) 5.217 14.812 ( -11.495 -0.113 0.000) 11.496 14.812 ( 11.495 -0.113 0.000) 11.496 14.912 ( -9.359 -1.854 0.000) 9.541 14.912 ( 9.359 -1.854 0.000) 9.541 14.958 ( -8.901 -1.827 0.000) 9.086 14.958 ( 8.901 -1.827 0.000) 9.086 15.119 ( -2.725 -4.771 0.000) 5.494 15.119 ( 2.725 -4.771 0.000) 5.494 15.411 ( -3.845 9.857 0.000) 10.581 15.411 ( 3.845 9.857 0.000) 10.581 15.773 ( -1.817 -1.675 0.000) 2.471 15.773 ( 1.817 -1.675 0.000) 2.471 21.693 ( -0.490 0.004 0.000) 0.490 21.693 ( 0.490 0.004 0.000) 0.490 21.709 ( -0.745 -0.455 0.000) 0.873 21.709 ( 0.745 -0.455 0.000) 0.873 22.053 ( -4.423 2.056 0.000) 4.877 22.053 ( 4.423 2.056 0.000) 4.877 22.199 ( -4.715 -1.572 0.000) 4.970 22.199 ( 4.715 -1.572 0.000) 4.970 22.355 ( -4.930 1.331 0.000) 5.106 22.355 ( 4.930 1.331 0.000) 5.106 22.447 ( -0.321 0.233 0.000) 0.396 22.447 ( 0.321 0.233 0.000) 0.396 22.608 ( -6.443 -2.350 0.000) 6.858 22.608 ( 6.443 -2.350 0.000) 6.858 22.644 ( -1.714 -1.490 0.000) 2.271 22.644 ( 1.714 -1.490 0.000) 2.271 23.330 ( -2.336 1.006 0.000) 2.543 23.330 ( 2.336 1.006 0.000) 2.543 23.392 ( -2.009 -0.964 0.000) 2.228 23.392 ( 2.009 -0.964 0.000) 2.228 23.605 ( -7.538 4.773 0.000) 8.922 23.605 ( 7.538 4.773 0.000) 8.922 23.924 ( -2.961 -3.527 0.000) 4.605 23.924 ( 2.961 -3.527 0.000) 4.605 25.138 ( -5.949 1.649 0.000) 6.173 25.138 ( 5.949 1.649 0.000) 6.173 25.312 ( -3.954 -2.385 0.000) 4.618 25.312 ( 3.954 -2.385 0.000) 4.618 25.622 ( -12.771 0.698 0.000) 12.790 25.622 ( 12.771 0.698 0.000) 12.790 25.792 ( -2.777 -4.485 0.000) 5.275 25.792 ( 2.777 -4.485 0.000) 5.275 26.769 ( -5.501 0.876 0.000) 5.570 26.769 ( 5.501 0.876 0.000) 5.570 26.918 ( -5.940 -3.464 0.000) 6.876 26.918 ( 5.940 -3.464 0.000) 6.876 27.130 ( -5.540 4.012 0.000) 6.840 27.130 ( 5.540 4.012 0.000) 6.840 27.395 ( -2.072 -2.470 0.000) 3.224 27.395 ( 2.072 -2.470 0.000) 3.224 28.512 ( -4.759 6.564 0.000) 8.108 28.512 ( 4.759 6.564 0.000) 8.108 28.574 ( -0.351 6.506 0.000) 6.516 28.574 ( 0.351 6.506 0.000) 6.516 29.255 ( -11.510 -1.819 0.000) 11.653 29.255 ( 11.510 -1.819 0.000) 11.653 29.554 ( -2.180 -8.645 0.000) 8.915 29.554 ( 2.180 -8.645 0.000) 8.915 30.825 ( -2.243 0.963 0.000) 2.441 30.825 ( 2.243 0.963 0.000) 2.441 30.909 ( -1.681 -1.027 0.000) 1.970 30.909 ( 1.681 -1.027 0.000) 1.970 30.958 ( -3.418 2.350 0.000) 4.148 30.958 ( 3.418 2.350 0.000) 4.148 31.159 ( -5.733 -2.558 0.000) 6.277 31.159 ( 5.733 -2.558 0.000) 6.277 39.650 ( -1.696 1.034 0.000) 1.986 39.650 ( 1.696 1.034 0.000) 1.986 39.697 ( -2.341 0.916 0.000) 2.514 39.697 ( 2.341 0.916 0.000) 2.514 39.764 ( -2.606 -0.706 0.000) 2.700 39.764 ( 2.606 -0.706 0.000) 2.700 39.793 ( -2.286 -0.478 0.000) 2.336 39.793 ( 2.286 -0.478 0.000) 2.336 71.055 ( -29.858 0.276 0.000) 29.859 71.055 ( 29.858 0.276 0.000) 29.859 71.183 ( -29.953 2.236 0.000) 30.037 71.183 ( 29.953 2.236 0.000) 30.037 71.502 ( -28.173 10.054 0.000) 29.913 71.502 ( 28.173 10.054 0.000) 29.913 72.964 ( -9.139 -26.951 0.000) 28.458 72.964 ( 9.139 -26.951 0.000) 28.458 105.134 ( -0.583 0.118 0.000) 0.595 105.134 ( 0.583 0.118 0.000) 0.595 105.172 ( -0.197 -0.866 0.000) 0.888 105.172 ( 0.197 -0.866 0.000) 0.888 105.235 ( -0.251 0.749 0.000) 0.790 105.235 ( 0.251 0.749 0.000) 0.790 105.250 ( -1.375 0.178 0.000) 1.386 105.250 ( 1.375 0.178 0.000) 1.386 ======================= Grid point 14 (9/36) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 0.000 34.217 0.000) 34.217 1.491 ( 0.000 37.170 0.000) 37.170 1.986 ( 0.000 -30.112 0.000) 30.112 2.128 ( 0.000 -28.102 0.000) 28.102 2.563 ( 0.000 13.039 0.000) 13.039 2.569 ( 0.000 1.443 0.000) 1.443 2.791 ( 0.000 36.770 0.000) 36.770 2.798 ( 0.000 6.995 0.000) 6.995 2.884 ( 0.000 -1.250 0.000) 1.250 2.995 ( 0.000 -1.502 0.000) 1.502 3.012 ( 0.000 10.917 0.000) 10.917 3.256 ( 0.000 2.650 0.000) 2.650 3.314 ( 0.000 3.065 0.000) 3.065 3.355 ( 0.000 -0.374 0.000) 0.374 3.365 ( 0.000 -7.648 0.000) 7.648 3.660 ( 0.000 2.095 0.000) 2.095 3.667 ( 0.000 5.356 0.000) 5.356 3.710 ( 0.000 -9.311 0.000) 9.311 3.718 ( 0.000 6.194 0.000) 6.194 3.819 ( 0.000 0.656 0.000) 0.656 3.821 ( 0.000 -23.975 0.000) 23.975 3.830 ( 0.000 7.719 0.000) 7.719 3.891 ( 0.000 -0.367 0.000) 0.367 3.904 ( 0.000 -12.914 0.000) 12.914 3.926 ( 0.000 0.480 0.000) 0.480 3.975 ( 0.000 -5.330 0.000) 5.330 4.190 ( 0.000 9.993 0.000) 9.993 4.311 ( 0.000 2.476 0.000) 2.476 4.404 ( 0.000 -7.296 0.000) 7.296 4.419 ( 0.000 -14.441 0.000) 14.441 4.535 ( 0.000 8.453 0.000) 8.453 4.652 ( 0.000 5.189 0.000) 5.189 4.679 ( 0.000 -6.145 0.000) 6.145 4.734 ( 0.000 -3.946 0.000) 3.946 4.909 ( 0.000 0.006 0.000) 0.006 4.952 ( 0.000 -4.104 0.000) 4.104 5.164 ( 0.000 4.576 0.000) 4.576 5.167 ( 0.000 3.450 0.000) 3.450 5.221 ( 0.000 4.503 0.000) 4.503 5.279 ( 0.000 -3.507 0.000) 3.507 5.334 ( 0.000 0.906 0.000) 0.906 5.348 ( 0.000 0.058 0.000) 0.058 5.441 ( 0.000 -0.802 0.000) 0.802 5.498 ( 0.000 -6.305 0.000) 6.305 5.577 ( 0.000 0.475 0.000) 0.475 5.650 ( 0.000 -5.535 0.000) 5.535 5.738 ( 0.000 -2.473 0.000) 2.473 5.761 ( 0.000 -5.080 0.000) 5.080 5.783 ( 0.000 2.544 0.000) 2.544 5.858 ( 0.000 -5.992 0.000) 5.992 5.992 ( 0.000 3.374 0.000) 3.374 6.094 ( 0.000 -6.343 0.000) 6.343 6.251 ( 0.000 9.702 0.000) 9.702 6.314 ( 0.000 2.024 0.000) 2.024 6.407 ( 0.000 5.329 0.000) 5.329 6.434 ( 0.000 1.922 0.000) 1.922 6.617 ( 0.000 0.339 0.000) 0.339 6.661 ( 0.000 2.065 0.000) 2.065 6.678 ( 0.000 0.690 0.000) 0.690 6.680 ( 0.000 2.095 0.000) 2.095 6.691 ( 0.000 4.177 0.000) 4.177 6.740 ( 0.000 -4.251 0.000) 4.251 6.943 ( 0.000 5.274 0.000) 5.274 6.952 ( 0.000 1.866 0.000) 1.866 6.975 ( 0.000 2.754 0.000) 2.754 7.027 ( 0.000 -3.710 0.000) 3.710 7.102 ( 0.000 -0.178 0.000) 0.178 7.175 ( 0.000 -6.944 0.000) 6.944 7.343 ( 0.000 5.655 0.000) 5.655 7.373 ( 0.000 1.942 0.000) 1.942 7.394 ( 0.000 -0.970 0.000) 0.970 7.471 ( 0.000 -7.551 0.000) 7.551 7.585 ( 0.000 1.394 0.000) 1.394 7.636 ( 0.000 8.395 0.000) 8.395 7.639 ( 0.000 11.775 0.000) 11.775 7.677 ( 0.000 1.902 0.000) 1.902 7.751 ( 0.000 -6.250 0.000) 6.250 7.838 ( 0.000 -1.445 0.000) 1.445 7.873 ( 0.000 -11.162 0.000) 11.162 7.913 ( 0.000 -0.751 0.000) 0.751 8.069 ( 0.000 -0.303 0.000) 0.303 8.196 ( 0.000 -16.426 0.000) 16.426 8.287 ( 0.000 0.918 0.000) 0.918 8.309 ( 0.000 -1.069 0.000) 1.069 8.471 ( 0.000 3.428 0.000) 3.428 8.506 ( 0.000 0.148 0.000) 0.148 8.605 ( 0.000 6.476 0.000) 6.476 8.690 ( 0.000 -1.761 0.000) 1.761 8.754 ( 0.000 -0.705 0.000) 0.705 8.763 ( 0.000 -3.940 0.000) 3.940 8.789 ( 0.000 7.227 0.000) 7.227 8.928 ( 0.000 -7.091 0.000) 7.091 9.260 ( 0.000 0.761 0.000) 0.761 9.290 ( 0.000 1.322 0.000) 1.322 9.297 ( 0.000 -3.826 0.000) 3.826 9.330 ( 0.000 -3.215 0.000) 3.215 9.525 ( 0.000 1.844 0.000) 1.844 9.535 ( 0.000 0.703 0.000) 0.703 9.540 ( 0.000 0.264 0.000) 0.264 9.557 ( 0.000 -1.790 0.000) 1.790 9.717 ( 0.000 1.599 0.000) 1.599 9.748 ( 0.000 -1.393 0.000) 1.393 9.796 ( 0.000 1.991 0.000) 1.991 9.809 ( 0.000 0.585 0.000) 0.585 10.026 ( 0.000 6.821 0.000) 6.821 10.146 ( 0.000 2.694 0.000) 2.694 10.150 ( 0.000 -5.494 0.000) 5.494 10.205 ( 0.000 -3.092 0.000) 3.092 10.261 ( 0.000 1.739 0.000) 1.739 10.273 ( 0.000 0.598 0.000) 0.598 10.286 ( 0.000 1.256 0.000) 1.256 10.308 ( 0.000 -0.975 0.000) 0.975 10.671 ( 0.000 4.150 0.000) 4.150 10.746 ( 0.000 -3.587 0.000) 3.587 10.920 ( 0.000 4.151 0.000) 4.151 10.982 ( 0.000 -1.811 0.000) 1.811 10.984 ( 0.000 7.232 0.000) 7.232 11.131 ( 0.000 -8.597 0.000) 8.597 11.440 ( 0.000 -0.504 0.000) 0.504 11.444 ( 0.000 -0.885 0.000) 0.885 11.444 ( 0.000 15.522 0.000) 15.522 11.646 ( 0.000 4.807 0.000) 4.807 11.680 ( 0.000 -7.084 0.000) 7.084 11.741 ( 0.000 3.250 0.000) 3.250 11.803 ( 0.000 -12.492 0.000) 12.492 11.810 ( 0.000 -1.900 0.000) 1.900 11.900 ( 0.000 6.513 0.000) 6.513 11.975 ( 0.000 -3.459 0.000) 3.459 12.179 ( 0.000 7.531 0.000) 7.531 12.181 ( 0.000 15.740 0.000) 15.740 12.395 ( 0.000 -4.943 0.000) 4.943 12.400 ( 0.000 -15.087 0.000) 15.087 12.428 ( 0.000 2.014 0.000) 2.014 12.616 ( 0.000 -19.248 0.000) 19.248 12.695 ( 0.000 4.030 0.000) 4.030 12.753 ( 0.000 -2.156 0.000) 2.156 13.674 ( 0.000 6.567 0.000) 6.567 13.725 ( 0.000 0.602 0.000) 0.602 13.728 ( 0.000 0.455 0.000) 0.455 13.792 ( 0.000 -5.592 0.000) 5.592 13.998 ( 0.000 0.640 0.000) 0.640 14.020 ( 0.000 -1.452 0.000) 1.452 14.090 ( 0.000 3.518 0.000) 3.518 14.129 ( 0.000 0.779 0.000) 0.779 14.212 ( 0.000 3.338 0.000) 3.338 14.279 ( 0.000 -3.544 0.000) 3.544 14.408 ( 0.000 1.073 0.000) 1.073 14.430 ( 0.000 -0.980 0.000) 0.980 14.739 ( 0.000 -0.464 0.000) 0.464 14.753 ( 0.000 -0.570 0.000) 0.570 14.873 ( 0.000 5.849 0.000) 5.849 14.883 ( 0.000 -1.319 0.000) 1.319 14.885 ( 0.000 -1.487 0.000) 1.487 14.947 ( 0.000 -2.567 0.000) 2.567 15.179 ( 0.000 2.313 0.000) 2.313 15.207 ( 0.000 1.542 0.000) 1.542 15.220 ( 0.000 -1.668 0.000) 1.668 15.244 ( 0.000 -2.276 0.000) 2.276 15.713 ( 0.000 6.208 0.000) 6.208 15.793 ( 0.000 -2.349 0.000) 2.349 21.677 ( 0.000 -0.031 0.000) 0.031 21.678 ( 0.000 -0.223 0.000) 0.223 21.724 ( 0.000 0.267 0.000) 0.267 21.730 ( 0.000 -0.398 0.000) 0.398 21.943 ( 0.000 2.867 0.000) 2.867 21.995 ( 0.000 -2.448 0.000) 2.448 22.274 ( 0.000 0.651 0.000) 0.651 22.274 ( 0.000 2.283 0.000) 2.283 22.290 ( 0.000 -1.142 0.000) 1.142 22.319 ( 0.000 -2.324 0.000) 2.324 22.691 ( 0.000 0.761 0.000) 0.761 22.702 ( 0.000 -0.408 0.000) 0.408 22.709 ( 0.000 1.128 0.000) 1.128 22.736 ( 0.000 -1.718 0.000) 1.718 22.883 ( 0.000 2.260 0.000) 2.260 22.913 ( 0.000 -0.579 0.000) 0.579 23.094 ( 0.000 0.474 0.000) 0.474 23.106 ( 0.000 0.334 0.000) 0.334 23.114 ( 0.000 -0.465 0.000) 0.465 23.122 ( 0.000 -2.091 0.000) 2.091 23.288 ( 0.000 2.656 0.000) 2.656 23.332 ( 0.000 -1.952 0.000) 1.952 23.861 ( 0.000 3.632 0.000) 3.632 23.928 ( 0.000 -3.324 0.000) 3.324 24.945 ( 0.000 1.470 0.000) 1.470 24.968 ( 0.000 -0.914 0.000) 0.914 25.205 ( 0.000 2.425 0.000) 2.425 25.256 ( 0.000 -2.790 0.000) 2.790 25.367 ( 0.000 0.648 0.000) 0.648 25.381 ( 0.000 -0.870 0.000) 0.870 25.905 ( 0.000 5.029 0.000) 5.029 25.991 ( 0.000 -3.920 0.000) 3.920 26.668 ( 0.000 1.378 0.000) 1.378 26.684 ( 0.000 -0.417 0.000) 0.417 27.040 ( 0.000 4.623 0.000) 4.623 27.050 ( 0.000 0.727 0.000) 0.727 27.065 ( 0.000 -0.842 0.000) 0.842 27.166 ( 0.000 -8.759 0.000) 8.759 27.459 ( 0.000 4.600 0.000) 4.600 27.549 ( 0.000 -4.702 0.000) 4.702 28.388 ( 0.000 6.088 0.000) 6.088 28.505 ( 0.000 -5.927 0.000) 5.927 28.654 ( 0.000 5.305 0.000) 5.305 28.760 ( 0.000 -5.559 0.000) 5.559 29.074 ( 0.000 18.918 0.000) 18.918 29.413 ( 0.000 -16.391 0.000) 16.391 29.691 ( 0.000 1.026 0.000) 1.026 29.711 ( 0.000 -1.048 0.000) 1.048 30.775 ( 0.000 1.399 0.000) 1.399 30.803 ( 0.000 -1.503 0.000) 1.503 30.875 ( 0.000 2.572 0.000) 2.572 30.916 ( 0.000 1.193 0.000) 1.193 30.925 ( 0.000 -2.605 0.000) 2.605 30.942 ( 0.000 -1.487 0.000) 1.487 31.176 ( 0.000 5.780 0.000) 5.780 31.288 ( 0.000 -5.728 0.000) 5.728 39.615 ( 0.000 1.789 0.000) 1.789 39.650 ( 0.000 -1.824 0.000) 1.824 39.654 ( 0.000 2.086 0.000) 2.086 39.694 ( 0.000 -2.059 0.000) 2.059 39.732 ( 0.000 1.681 0.000) 1.681 39.767 ( 0.000 -1.911 0.000) 1.911 39.923 ( 0.000 1.458 0.000) 1.458 39.948 ( 0.000 -1.148 0.000) 1.148 70.006 ( 0.000 5.615 0.000) 5.615 70.120 ( 0.000 -6.173 0.000) 6.173 70.442 ( 0.000 1.663 0.000) 1.663 70.466 ( 0.000 -0.884 0.000) 0.884 72.063 ( 0.000 -0.556 0.000) 0.556 72.071 ( 0.000 -1.158 0.000) 1.158 72.661 ( 0.000 14.675 0.000) 14.675 72.936 ( 0.000 -13.869 0.000) 13.869 105.102 ( 0.000 0.229 0.000) 0.229 105.105 ( 0.000 -0.153 0.000) 0.153 105.150 ( 0.000 0.175 0.000) 0.175 105.154 ( 0.000 -0.236 0.000) 0.236 105.223 ( 0.000 1.019 0.000) 1.019 105.241 ( 0.000 -0.914 0.000) 0.914 105.318 ( 0.000 0.501 0.000) 0.501 105.328 ( 0.000 -0.609 0.000) 0.609 ======================= Grid point 15 (10/36) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 10.365 29.539 0.000) 31.304 1.513 ( 2.036 28.902 0.000) 28.974 1.993 ( -10.150 -20.447 0.000) 22.827 2.017 ( 2.569 -26.364 0.000) 26.488 2.582 ( -1.715 3.846 0.000) 4.211 2.646 ( 4.160 4.601 0.000) 6.203 2.694 ( -10.357 4.523 0.000) 11.301 2.768 ( -10.068 -2.322 0.000) 10.332 2.857 ( 4.502 22.267 0.000) 22.717 2.957 ( -4.924 2.865 0.000) 5.697 3.060 ( 4.586 17.186 0.000) 17.787 3.212 ( -4.999 2.826 0.000) 5.743 3.265 ( -11.318 -1.763 0.000) 11.454 3.368 ( 9.988 0.995 0.000) 10.038 3.394 ( 10.560 -1.408 0.000) 10.653 3.573 ( -15.116 4.833 0.000) 15.870 3.606 ( -9.791 1.587 0.000) 9.918 3.660 ( 0.145 1.154 0.000) 1.163 3.698 ( 0.121 4.096 0.000) 4.097 3.699 ( -5.866 4.452 0.000) 7.365 3.802 ( 3.805 -0.741 0.000) 3.876 3.830 ( 3.360 -24.886 0.000) 25.112 3.999 ( 5.002 -4.189 0.000) 6.524 4.015 ( 10.716 2.147 0.000) 10.929 4.062 ( 3.408 -7.447 0.000) 8.189 4.119 ( 15.052 -6.688 0.000) 16.471 4.263 ( 7.300 6.155 0.000) 9.548 4.485 ( 6.321 -13.988 0.000) 15.350 4.486 ( 11.936 2.411 0.000) 12.177 4.539 ( 7.530 -2.337 0.000) 7.885 4.541 ( -0.624 4.270 0.000) 4.316 4.576 ( 4.901 7.405 0.000) 8.880 4.668 ( -2.876 -7.050 0.000) 7.614 4.712 ( 4.660 -5.132 0.000) 6.931 4.983 ( 4.713 1.212 0.000) 4.867 5.029 ( 2.812 -2.829 0.000) 3.989 5.034 ( -6.316 6.733 0.000) 9.231 5.127 ( -2.547 -2.318 0.000) 3.444 5.264 ( 4.094 1.130 0.000) 4.247 5.298 ( -3.546 2.208 0.000) 4.177 5.322 ( 3.316 -6.154 0.000) 6.991 5.335 ( -3.597 -2.551 0.000) 4.410 5.412 ( 0.677 4.309 0.000) 4.362 5.536 ( 3.617 -7.001 0.000) 7.880 5.553 ( -10.813 7.248 0.000) 13.018 5.664 ( -9.532 -1.284 0.000) 9.618 5.724 ( -0.082 -0.713 0.000) 0.718 5.730 ( 5.382 2.397 0.000) 5.892 5.772 ( 0.122 -7.227 0.000) 7.228 5.827 ( -3.703 -4.357 0.000) 5.718 5.991 ( 3.408 -2.105 0.000) 4.005 6.009 ( -5.366 -4.681 0.000) 7.121 6.163 ( -8.319 11.674 0.000) 14.335 6.281 ( -5.427 0.945 0.000) 5.509 6.422 ( -2.868 4.613 0.000) 5.432 6.461 ( 2.291 5.867 0.000) 6.299 6.468 ( -6.396 6.276 0.000) 8.960 6.546 ( -9.748 -0.080 0.000) 9.748 6.581 ( -3.066 -3.907 0.000) 4.966 6.638 ( -1.972 -3.855 0.000) 4.330 6.718 ( -0.519 2.228 0.000) 2.288 6.793 ( 3.623 -6.661 0.000) 7.582 6.929 ( -3.772 3.051 0.000) 4.852 7.028 ( -0.625 -4.443 0.000) 4.487 7.049 ( 4.451 2.849 0.000) 5.285 7.105 ( 6.042 -3.451 0.000) 6.958 7.169 ( 8.680 7.575 0.000) 11.520 7.296 ( -4.977 5.402 0.000) 7.345 7.321 ( 11.580 -7.846 0.000) 13.988 7.337 ( -4.021 2.345 0.000) 4.655 7.401 ( 1.196 1.744 0.000) 2.115 7.468 ( -0.922 -1.592 0.000) 1.840 7.489 ( -9.093 12.422 0.000) 15.394 7.556 ( -3.300 -3.775 0.000) 5.014 7.664 ( -5.270 -9.251 0.000) 10.647 7.688 ( -2.722 -6.569 0.000) 7.111 7.739 ( 4.362 5.005 0.000) 6.639 7.803 ( 0.079 10.269 0.000) 10.270 7.876 ( 1.805 -8.548 0.000) 8.736 7.950 ( 1.479 -2.852 0.000) 3.212 8.091 ( 3.026 2.874 0.000) 4.173 8.256 ( 4.303 -14.171 0.000) 14.810 8.304 ( 0.369 0.073 0.000) 0.376 8.323 ( 1.373 -1.761 0.000) 2.233 8.481 ( 1.880 4.909 0.000) 5.257 8.509 ( -5.059 8.340 0.000) 9.755 8.523 ( 2.392 0.789 0.000) 2.519 8.640 ( -3.786 -6.083 0.000) 7.165 8.768 ( 2.684 1.730 0.000) 3.193 8.794 ( 0.100 6.957 0.000) 6.958 8.818 ( 3.157 -3.670 0.000) 4.841 8.920 ( -1.763 -5.710 0.000) 5.977 9.273 ( -1.666 0.709 0.000) 1.811 9.276 ( 1.462 0.437 0.000) 1.526 9.311 ( 0.402 -3.210 0.000) 3.235 9.335 ( 1.748 -5.542 0.000) 5.811 9.518 ( -0.500 3.465 0.000) 3.501 9.546 ( 0.171 -0.208 0.000) 0.269 9.553 ( 1.302 0.040 0.000) 1.303 9.556 ( -0.511 -1.188 0.000) 1.293 9.723 ( 0.794 2.645 0.000) 2.761 9.773 ( -2.059 2.107 0.000) 2.946 9.781 ( 2.829 -2.720 0.000) 3.925 9.801 ( -0.480 -0.790 0.000) 0.924 9.942 ( -7.431 3.812 0.000) 8.352 10.008 ( -7.653 -3.176 0.000) 8.286 10.140 ( -0.625 1.885 0.000) 1.986 10.176 ( -2.863 -1.662 0.000) 3.311 10.302 ( 3.413 1.654 0.000) 3.793 10.324 ( 4.595 -0.433 0.000) 4.616 10.339 ( 5.329 6.103 0.000) 8.102 10.449 ( 6.814 -5.006 0.000) 8.455 10.706 ( 3.627 4.660 0.000) 5.905 10.792 ( 4.964 -4.106 0.000) 6.442 10.902 ( -1.830 4.853 0.000) 5.186 10.974 ( -0.662 -2.384 0.000) 2.474 10.976 ( -0.721 6.200 0.000) 6.242 11.107 ( -2.331 -7.849 0.000) 8.187 11.332 ( -9.775 18.728 0.000) 21.126 11.424 ( 0.192 2.787 0.000) 2.794 11.487 ( 2.769 -3.389 0.000) 4.376 11.598 ( -5.577 -4.438 0.000) 7.127 11.664 ( -3.443 -1.958 0.000) 3.961 11.740 ( -4.491 -5.549 0.000) 7.139 11.755 ( 1.798 4.911 0.000) 5.230 11.843 ( 2.599 -2.477 0.000) 3.590 11.938 ( 4.351 5.591 0.000) 7.085 12.016 ( 4.312 -4.448 0.000) 6.195 12.098 ( -7.145 13.696 0.000) 15.447 12.195 ( 1.754 7.929 0.000) 8.121 12.343 ( -6.636 -0.125 0.000) 6.637 12.373 ( -5.604 -4.811 0.000) 7.386 12.421 ( 2.246 -15.245 0.000) 15.410 12.481 ( -10.529 -4.588 0.000) 11.485 12.635 ( -6.496 -1.453 0.000) 6.656 12.693 ( -1.979 -9.351 0.000) 9.558 13.670 ( -0.334 6.517 0.000) 6.525 13.738 ( 0.402 1.323 0.000) 1.383 13.757 ( 1.838 -0.355 0.000) 1.872 13.789 ( -0.171 -5.861 0.000) 5.863 13.993 ( -0.410 0.715 0.000) 0.824 14.010 ( -0.788 -1.396 0.000) 1.603 14.066 ( -2.289 4.117 0.000) 4.710 14.118 ( -1.264 -0.492 0.000) 1.356 14.328 ( 9.782 2.045 0.000) 9.993 14.374 ( 7.663 -2.510 0.000) 8.064 14.426 ( 6.523 5.328 0.000) 8.422 14.536 ( 7.346 -6.089 0.000) 9.542 14.723 ( -1.456 1.320 0.000) 1.965 14.746 ( -0.663 -0.101 0.000) 0.671 14.901 ( 1.846 -1.015 0.000) 2.107 14.912 ( 1.128 7.028 0.000) 7.118 14.918 ( 2.845 -3.078 0.000) 4.191 15.019 ( 4.959 -4.530 0.000) 6.716 15.164 ( -4.629 1.638 0.000) 4.910 15.202 ( -4.477 -2.386 0.000) 5.073 15.277 ( 8.534 3.205 0.000) 9.116 15.354 ( 14.480 -5.148 0.000) 15.368 15.698 ( -1.576 6.698 0.000) 6.881 15.786 ( -0.805 -2.653 0.000) 2.773 21.679 ( 0.257 -0.016 0.000) 0.257 21.681 ( 0.274 -0.244 0.000) 0.367 21.718 ( -0.504 0.242 0.000) 0.559 21.725 ( -0.537 -0.422 0.000) 0.683 21.966 ( 2.370 2.872 0.000) 3.724 22.017 ( 2.381 -2.450 0.000) 3.417 22.251 ( -2.531 2.557 0.000) 3.598 22.282 ( 1.151 1.384 0.000) 1.800 22.299 ( -2.207 -2.422 0.000) 3.277 22.316 ( 2.496 -2.153 0.000) 3.296 22.629 ( -7.143 1.946 0.000) 7.403 22.636 ( -4.497 1.801 0.000) 4.845 22.653 ( -9.019 0.411 0.000) 9.029 22.667 ( -3.307 -1.449 0.000) 3.611 22.730 ( -5.569 1.954 0.000) 5.902 22.800 ( -7.586 -4.412 0.000) 8.775 23.169 ( 5.458 0.340 0.000) 5.468 23.177 ( 6.147 -0.426 0.000) 6.162 23.238 ( 9.035 1.704 0.000) 9.194 23.260 ( 6.761 -0.472 0.000) 6.778 23.403 ( 9.002 3.061 0.000) 9.508 23.489 ( 14.634 -6.321 0.000) 15.941 23.848 ( -1.461 3.976 0.000) 4.236 23.921 ( -0.817 -3.588 0.000) 3.680 24.984 ( 4.007 2.428 0.000) 4.685 25.042 ( 6.157 -3.959 0.000) 7.320 25.265 ( 6.573 2.840 0.000) 7.160 25.333 ( 8.324 -4.668 0.000) 9.544 25.344 ( -2.401 1.275 0.000) 2.718 25.370 ( -1.313 -1.426 0.000) 1.938 25.885 ( -2.192 3.810 0.000) 4.395 25.952 ( -4.240 -3.047 0.000) 5.221 26.677 ( 1.224 1.852 0.000) 2.220 26.707 ( 2.244 -1.349 0.000) 2.618 27.003 ( -4.482 1.645 0.000) 4.775 27.039 ( -3.194 -2.139 0.000) 3.844 27.061 ( 2.321 4.935 0.000) 5.454 27.186 ( 2.114 -8.239 0.000) 8.506 27.423 ( -3.768 4.532 0.000) 5.894 27.504 ( -4.258 -3.651 0.000) 5.609 28.436 ( 4.785 6.693 0.000) 8.228 28.556 ( 4.638 -5.320 0.000) 7.058 28.657 ( 0.299 5.631 0.000) 5.639 28.759 ( -0.287 -4.238 0.000) 4.248 29.079 ( 0.872 16.658 0.000) 16.681 29.399 ( -1.402 -15.990 0.000) 16.051 29.589 ( -9.169 2.073 0.000) 9.401 29.630 ( -8.196 -2.102 0.000) 8.461 30.785 ( 1.137 1.746 0.000) 2.083 30.819 ( 1.464 -1.849 0.000) 2.359 30.893 ( 1.979 2.721 0.000) 3.365 30.907 ( -0.919 1.254 0.000) 1.554 30.935 ( -0.837 -1.510 0.000) 1.727 30.947 ( 2.334 -2.814 0.000) 3.656 31.154 ( -2.361 5.497 0.000) 5.983 31.260 ( -2.906 -5.466 0.000) 6.190 39.624 ( 0.901 1.763 0.000) 1.980 39.654 ( 0.619 -0.467 0.000) 0.775 39.670 ( 1.484 0.661 0.000) 1.625 39.704 ( 1.028 -1.933 0.000) 2.189 39.725 ( -0.786 1.650 0.000) 1.828 39.758 ( -0.951 -1.732 0.000) 1.976 39.895 ( -2.797 0.927 0.000) 2.947 39.905 ( -3.785 0.070 0.000) 3.786 70.172 ( 16.609 4.873 0.000) 17.309 70.244 ( 15.397 -1.655 0.000) 15.485 70.665 ( 25.545 12.629 0.000) 28.496 71.037 ( 45.984 -29.006 0.000) 54.367 71.933 ( -13.474 0.698 0.000) 13.492 71.962 ( -12.045 -2.205 0.000) 12.245 72.565 ( -10.331 16.335 0.000) 19.327 72.879 ( -6.222 -16.239 0.000) 17.391 105.110 ( 0.739 0.196 0.000) 0.765 105.116 ( 1.073 -0.404 0.000) 1.147 105.150 ( 0.004 0.292 0.000) 0.292 105.157 ( 0.229 -0.345 0.000) 0.414 105.224 ( 0.195 0.855 0.000) 0.877 105.240 ( -0.132 -0.758 0.000) 0.770 105.305 ( -1.320 0.349 0.000) 1.365 105.309 ( -1.706 0.005 0.000) 1.706 ======================= Grid point 16 (11/36) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 5.214 14.586 0.000) 15.489 1.688 ( 8.537 18.679 0.000) 20.537 1.859 ( -2.780 -14.996 0.000) 15.251 2.019 ( -4.056 -15.101 0.000) 15.636 2.483 ( -5.427 14.116 0.000) 15.123 2.499 ( -9.128 2.155 0.000) 9.379 2.602 ( -4.600 -7.029 0.000) 8.400 2.663 ( -2.923 -4.007 0.000) 4.960 2.805 ( -1.197 5.346 0.000) 5.479 2.964 ( -2.053 -10.533 0.000) 10.732 3.009 ( -13.579 5.788 0.000) 14.762 3.084 ( -8.605 -0.464 0.000) 8.617 3.195 ( 4.945 28.119 0.000) 28.550 3.299 ( -11.580 10.314 0.000) 15.507 3.475 ( -3.767 -6.057 0.000) 7.133 3.512 ( 5.818 -0.956 0.000) 5.896 3.557 ( -0.466 0.882 0.000) 0.997 3.624 ( -2.405 10.862 0.000) 11.126 3.717 ( 2.416 7.188 0.000) 7.583 3.761 ( 13.129 -1.332 0.000) 13.196 3.864 ( 1.598 -6.207 0.000) 6.410 3.955 ( 7.952 -8.130 0.000) 11.372 4.048 ( -0.676 -4.660 0.000) 4.709 4.118 ( 0.134 -7.447 0.000) 7.448 4.280 ( 10.524 8.625 0.000) 13.607 4.304 ( 18.082 2.572 0.000) 18.264 4.393 ( 11.087 -4.443 0.000) 11.944 4.566 ( 1.546 2.428 0.000) 2.878 4.612 ( 4.259 -1.382 0.000) 4.478 4.636 ( 10.316 -20.605 0.000) 23.044 4.703 ( 11.804 3.432 0.000) 12.293 4.708 ( 2.595 2.713 0.000) 3.754 4.774 ( -0.781 -3.628 0.000) 3.711 4.791 ( 11.033 -5.124 0.000) 12.164 5.001 ( -2.469 0.051 0.000) 2.470 5.033 ( -2.172 13.395 0.000) 13.569 5.040 ( -0.869 -2.479 0.000) 2.627 5.093 ( -3.405 6.226 0.000) 7.096 5.173 ( -7.879 3.848 0.000) 8.769 5.262 ( -4.912 1.297 0.000) 5.080 5.328 ( -5.380 -3.119 0.000) 6.219 5.350 ( 3.164 0.105 0.000) 3.166 5.375 ( 8.666 -2.082 0.000) 8.913 5.481 ( -6.722 -7.090 0.000) 9.770 5.517 ( 5.844 4.113 0.000) 7.147 5.592 ( 1.580 -4.785 0.000) 5.039 5.649 ( -7.528 -0.530 0.000) 7.546 5.731 ( -8.885 -10.931 0.000) 14.086 5.756 ( 0.467 -2.909 0.000) 2.947 5.819 ( 9.755 -6.813 0.000) 11.899 5.950 ( -1.223 11.083 0.000) 11.150 6.015 ( -5.147 11.589 0.000) 12.681 6.162 ( -4.582 -0.224 0.000) 4.588 6.163 ( 7.047 -6.413 0.000) 9.528 6.273 ( -10.958 5.463 0.000) 12.245 6.359 ( -10.996 -1.670 0.000) 11.122 6.399 ( -2.606 4.297 0.000) 5.026 6.440 ( -4.355 8.776 0.000) 9.797 6.558 ( -0.482 -8.736 0.000) 8.749 6.617 ( -4.741 -7.696 0.000) 9.039 6.726 ( 2.317 5.695 0.000) 6.149 6.834 ( -4.062 -0.676 0.000) 4.118 6.852 ( 2.966 -7.864 0.000) 8.405 6.912 ( -6.341 -10.106 0.000) 11.930 7.129 ( 0.484 7.406 0.000) 7.422 7.175 ( -9.225 5.585 0.000) 10.784 7.206 ( 4.058 -1.069 0.000) 4.196 7.213 ( -5.493 2.992 0.000) 6.255 7.293 ( 5.715 6.312 0.000) 8.515 7.306 ( -6.577 7.709 0.000) 10.133 7.425 ( -1.093 1.103 0.000) 1.553 7.460 ( -0.012 6.490 0.000) 6.490 7.495 ( 4.292 -3.549 0.000) 5.569 7.509 ( 0.008 -5.958 0.000) 5.958 7.584 ( -2.309 -6.539 0.000) 6.935 7.620 ( -2.010 -12.118 0.000) 12.284 7.826 ( 1.223 8.888 0.000) 8.972 7.827 ( 3.155 3.500 0.000) 4.712 7.936 ( 2.799 -6.301 0.000) 6.895 7.950 ( -0.703 -4.550 0.000) 4.604 8.174 ( 4.870 6.574 0.000) 8.182 8.280 ( -2.037 3.614 0.000) 4.148 8.289 ( 0.569 -3.425 0.000) 3.472 8.340 ( -0.337 -2.781 0.000) 2.802 8.529 ( 5.195 1.060 0.000) 5.302 8.547 ( 4.684 3.487 0.000) 5.839 8.595 ( 4.413 -1.056 0.000) 4.537 8.608 ( 0.615 -6.487 0.000) 6.516 8.793 ( 0.556 3.999 0.000) 4.038 8.811 ( 1.277 2.860 0.000) 3.132 8.864 ( -3.304 -3.495 0.000) 4.810 8.868 ( 1.427 -3.108 0.000) 3.420 9.234 ( -2.037 6.169 0.000) 6.496 9.289 ( -2.835 0.262 0.000) 2.847 9.304 ( 1.606 -1.610 0.000) 2.274 9.373 ( 0.451 -8.076 0.000) 8.088 9.508 ( -0.441 3.525 0.000) 3.552 9.527 ( -1.722 0.475 0.000) 1.787 9.545 ( -0.387 -1.407 0.000) 1.459 9.564 ( -0.516 -1.911 0.000) 1.979 9.745 ( -0.508 2.873 0.000) 2.918 9.769 ( 4.704 4.539 0.000) 6.537 9.804 ( 1.057 -3.191 0.000) 3.361 9.824 ( -3.170 3.031 0.000) 4.386 9.866 ( 6.255 -3.840 0.000) 7.339 9.917 ( -3.076 -5.577 0.000) 6.369 10.087 ( -6.031 1.404 0.000) 6.192 10.122 ( -3.043 -2.296 0.000) 3.812 10.366 ( 3.436 2.721 0.000) 4.383 10.409 ( 4.147 -1.453 0.000) 4.394 10.419 ( 2.580 5.765 0.000) 6.317 10.507 ( -0.098 -3.052 0.000) 3.053 10.788 ( 4.488 7.332 0.000) 8.597 10.864 ( -1.859 7.602 0.000) 7.826 10.919 ( 7.969 -4.839 0.000) 9.323 10.969 ( 0.397 -3.764 0.000) 3.785 10.972 ( 1.374 2.742 0.000) 3.067 11.058 ( -2.499 -5.653 0.000) 6.181 11.158 ( -8.460 14.533 0.000) 16.816 11.401 ( -14.122 -9.834 0.000) 17.209 11.452 ( 2.742 4.791 0.000) 5.520 11.545 ( 3.615 -3.970 0.000) 5.370 11.586 ( -3.942 4.963 0.000) 6.339 11.683 ( -2.902 -4.275 0.000) 5.167 11.814 ( 4.598 5.096 0.000) 6.864 11.880 ( 1.531 -0.775 0.000) 1.716 11.972 ( -5.662 9.624 0.000) 11.166 12.048 ( 6.790 3.858 0.000) 7.809 12.128 ( 7.319 -5.439 0.000) 9.118 12.133 ( -12.594 -4.532 0.000) 13.384 12.250 ( 4.601 7.065 0.000) 8.431 12.282 ( -5.038 4.498 0.000) 6.754 12.344 ( -5.464 -1.197 0.000) 5.594 12.479 ( 3.935 -15.516 0.000) 16.007 12.515 ( -7.024 -3.470 0.000) 7.835 12.640 ( -3.863 -13.496 0.000) 14.038 13.668 ( 0.330 6.167 0.000) 6.176 13.722 ( -1.820 3.190 0.000) 3.673 13.783 ( 0.839 -2.871 0.000) 2.992 13.788 ( 0.013 -6.277 0.000) 6.277 13.979 ( -0.642 2.034 0.000) 2.133 14.010 ( 0.772 -1.884 0.000) 2.036 14.018 ( -2.539 4.611 0.000) 5.264 14.084 ( -2.335 -1.992 0.000) 3.070 14.488 ( 7.884 2.398 0.000) 8.241 14.536 ( 9.237 -2.279 0.000) 9.514 14.621 ( 12.100 3.526 0.000) 12.604 14.686 ( -2.760 3.088 0.000) 4.142 14.698 ( 10.177 -3.968 0.000) 10.923 14.727 ( -1.618 0.103 0.000) 1.621 14.921 ( 0.432 7.817 0.000) 7.829 14.927 ( 0.109 0.027 0.000) 0.113 14.975 ( 3.096 -4.014 0.000) 5.069 15.043 ( -8.015 1.543 0.000) 8.162 15.055 ( -0.232 -6.189 0.000) 6.193 15.081 ( -8.515 -2.491 0.000) 8.872 15.457 ( 9.139 7.428 0.000) 11.777 15.594 ( 9.641 -7.000 0.000) 11.914 15.657 ( -2.899 7.733 0.000) 8.258 15.762 ( -1.793 -3.490 0.000) 3.924 21.686 ( 0.425 0.032 0.000) 0.426 21.689 ( 0.550 -0.299 0.000) 0.626 21.707 ( -0.695 0.208 0.000) 0.725 21.713 ( -0.674 -0.440 0.000) 0.805 22.025 ( 3.863 2.897 0.000) 4.829 22.077 ( 3.968 -2.527 0.000) 4.704 22.185 ( -4.333 2.951 0.000) 5.243 22.240 ( -4.098 -2.686 0.000) 4.900 22.320 ( 2.972 2.344 0.000) 3.785 22.374 ( 3.524 -3.289 0.000) 4.820 22.501 ( -7.087 1.675 0.000) 7.283 22.508 ( -5.173 0.986 0.000) 5.266 22.569 ( -1.931 2.338 0.000) 3.032 22.613 ( -1.944 -2.226 0.000) 2.955 22.649 ( -3.822 -0.538 0.000) 3.860 22.678 ( -5.753 -3.530 0.000) 6.750 23.276 ( 5.473 1.058 0.000) 5.575 23.296 ( 5.923 -1.034 0.000) 6.012 23.349 ( 2.864 0.905 0.000) 3.004 23.361 ( 3.597 -0.416 0.000) 3.621 23.574 ( 8.846 6.817 0.000) 11.168 23.712 ( 8.976 -7.584 0.000) 11.751 23.803 ( -3.484 5.006 0.000) 6.099 23.894 ( -2.186 -4.432 0.000) 4.942 25.077 ( 5.722 3.259 0.000) 6.585 25.152 ( 5.709 -4.589 0.000) 7.325 25.280 ( -4.473 2.409 0.000) 5.080 25.329 ( -3.250 -2.578 0.000) 4.149 25.435 ( 11.165 3.288 0.000) 11.639 25.526 ( 11.026 -6.837 0.000) 12.974 25.817 ( -5.892 0.951 0.000) 5.968 25.839 ( -7.342 -1.172 0.000) 7.435 26.718 ( 3.331 2.192 0.000) 3.988 26.764 ( 3.940 -2.638 0.000) 4.741 26.903 ( -5.901 2.163 0.000) 6.285 26.955 ( -5.503 -3.251 0.000) 6.391 27.125 ( 4.508 5.429 0.000) 7.057 27.242 ( 3.835 -6.811 0.000) 7.817 27.331 ( -5.792 4.989 0.000) 7.644 27.415 ( -5.058 -3.508 0.000) 6.156 28.543 ( 6.303 7.211 0.000) 9.577 28.638 ( 3.607 -1.501 0.000) 3.906 28.664 ( 0.290 6.043 0.000) 6.049 28.737 ( -2.344 0.312 0.000) 2.365 29.123 ( 4.321 9.576 0.000) 10.506 29.370 ( -1.419 -14.307 0.000) 14.377 29.418 ( -9.058 -0.416 0.000) 9.067 29.454 ( -8.833 -3.577 0.000) 9.529 30.814 ( 1.858 1.842 0.000) 2.616 30.849 ( 1.740 -1.857 0.000) 2.545 30.884 ( -1.626 1.418 0.000) 2.157 30.913 ( -1.478 -1.577 0.000) 2.162 30.945 ( 3.562 3.144 0.000) 4.751 31.008 ( 4.192 -3.317 0.000) 5.346 31.095 ( -3.873 4.773 0.000) 6.146 31.187 ( -4.724 -4.805 0.000) 6.738 39.646 ( 1.498 1.685 0.000) 2.255 39.673 ( 1.374 -0.473 0.000) 1.453 39.704 ( -1.383 1.596 0.000) 2.112 39.707 ( 2.483 0.495 0.000) 2.531 39.732 ( 2.049 -1.564 0.000) 2.578 39.734 ( -1.592 -1.295 0.000) 2.052 39.827 ( -3.940 0.920 0.000) 4.046 39.839 ( -3.464 -0.296 0.000) 3.477 70.576 ( 26.248 4.194 0.000) 26.581 70.647 ( 26.552 -2.444 0.000) 26.664 71.243 ( 33.896 23.024 0.000) 40.976 71.585 ( -23.646 2.207 0.000) 23.749 71.639 ( -22.494 -3.108 0.000) 22.708 71.834 ( 36.850 -39.955 0.000) 54.354 72.285 ( -20.062 20.369 0.000) 28.590 72.701 ( -13.309 -22.835 0.000) 26.431 105.126 ( 0.907 0.433 0.000) 1.005 105.138 ( 1.173 -0.850 0.000) 1.449 105.149 ( -0.236 0.509 0.000) 0.561 105.160 ( 0.036 -0.627 0.000) 0.628 105.231 ( 0.635 0.473 0.000) 0.791 105.239 ( 0.182 -0.300 0.000) 0.351 105.273 ( -1.759 0.657 0.000) 1.878 105.279 ( -1.618 -0.059 0.000) 1.619 ======================= Grid point 17 (12/36) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -6.340 9.007 0.000) 11.014 1.696 ( 6.340 9.007 0.000) 11.014 1.906 ( -6.346 -12.430 0.000) 13.956 1.906 ( 6.346 -12.430 0.000) 13.956 2.417 ( -1.232 13.039 0.000) 13.097 2.417 ( 1.232 13.039 0.000) 13.097 2.616 ( -2.319 -5.992 0.000) 6.425 2.616 ( 2.319 -5.992 0.000) 6.425 2.834 ( -4.108 4.318 0.000) 5.960 2.834 ( 4.108 4.318 0.000) 5.960 2.945 ( -4.082 -7.012 0.000) 8.114 2.945 ( 4.082 -7.012 0.000) 8.114 3.197 ( -0.026 16.226 0.000) 16.226 3.197 ( 0.026 16.226 0.000) 16.226 3.476 ( -3.487 -10.441 0.000) 11.007 3.476 ( 3.487 -10.441 0.000) 11.007 3.602 ( -1.093 12.492 0.000) 12.540 3.602 ( 1.093 12.492 0.000) 12.540 3.820 ( -7.353 -1.843 0.000) 7.580 3.820 ( 7.353 -1.843 0.000) 7.580 3.989 ( -5.566 -1.619 0.000) 5.797 3.989 ( 5.566 -1.619 0.000) 5.797 4.036 ( -6.250 -4.978 0.000) 7.990 4.036 ( 6.250 -4.978 0.000) 7.990 4.516 ( -13.618 12.110 0.000) 18.224 4.516 ( 13.618 12.110 0.000) 18.224 4.613 ( -7.085 -0.242 0.000) 7.089 4.613 ( 7.085 -0.242 0.000) 7.089 4.641 ( -11.174 -0.740 0.000) 11.199 4.641 ( 11.174 -0.740 0.000) 11.199 4.749 ( -0.384 -6.900 0.000) 6.911 4.749 ( 0.384 -6.900 0.000) 6.911 4.850 ( -2.932 6.088 0.000) 6.757 4.850 ( 2.932 6.088 0.000) 6.757 4.979 ( -12.798 -1.255 0.000) 12.859 4.979 ( 12.798 -1.255 0.000) 12.859 5.008 ( -7.879 -3.422 0.000) 8.590 5.008 ( 7.879 -3.422 0.000) 8.590 5.114 ( -11.997 -8.343 0.000) 14.612 5.114 ( 11.997 -8.343 0.000) 14.612 5.343 ( -6.931 9.466 0.000) 11.733 5.343 ( 6.931 9.466 0.000) 11.733 5.529 ( -2.370 -6.299 0.000) 6.731 5.529 ( 2.370 -6.299 0.000) 6.731 5.551 ( -4.550 -1.207 0.000) 4.708 5.551 ( 4.550 -1.207 0.000) 4.708 5.633 ( -2.036 -7.689 0.000) 7.954 5.633 ( 2.036 -7.689 0.000) 7.954 5.800 ( -9.033 12.733 0.000) 15.611 5.800 ( 9.033 12.733 0.000) 15.611 6.059 ( -13.527 -6.221 0.000) 14.889 6.059 ( 13.527 -6.221 0.000) 14.889 6.081 ( -11.509 1.630 0.000) 11.624 6.081 ( 11.509 1.630 0.000) 11.624 6.186 ( -7.080 -1.618 0.000) 7.262 6.186 ( 7.080 -1.618 0.000) 7.262 6.378 ( -0.626 6.101 0.000) 6.133 6.378 ( 0.626 6.101 0.000) 6.133 6.542 ( -0.132 -9.056 0.000) 9.056 6.542 ( 0.132 -9.056 0.000) 9.056 6.792 ( -3.182 3.104 0.000) 4.445 6.792 ( 3.182 3.104 0.000) 4.445 6.883 ( -0.291 -7.677 0.000) 7.683 6.883 ( 0.291 -7.677 0.000) 7.683 7.079 ( -0.618 6.679 0.000) 6.707 7.079 ( 0.618 6.679 0.000) 6.707 7.157 ( -1.454 0.144 0.000) 1.461 7.157 ( 1.454 0.144 0.000) 1.461 7.375 ( -5.693 5.385 0.000) 7.836 7.375 ( 5.693 5.385 0.000) 7.836 7.401 ( -5.262 7.000 0.000) 8.757 7.401 ( 5.262 7.000 0.000) 8.757 7.522 ( -0.305 -4.472 0.000) 4.482 7.522 ( 0.305 -4.472 0.000) 4.482 7.591 ( -1.854 -9.664 0.000) 9.840 7.591 ( 1.854 -9.664 0.000) 9.840 7.843 ( -0.594 4.942 0.000) 4.977 7.843 ( 0.594 4.942 0.000) 4.977 7.949 ( -0.553 -5.848 0.000) 5.874 7.949 ( 0.553 -5.848 0.000) 5.874 8.242 ( -2.483 5.785 0.000) 6.295 8.242 ( 2.483 5.785 0.000) 6.295 8.314 ( -1.899 -1.804 0.000) 2.619 8.314 ( 1.899 -1.804 0.000) 2.619 8.608 ( -0.703 0.366 0.000) 0.792 8.608 ( 0.703 0.366 0.000) 0.792 8.624 ( -0.623 -1.851 0.000) 1.953 8.624 ( 0.623 -1.851 0.000) 1.953 8.813 ( -0.366 1.531 0.000) 1.574 8.813 ( 0.366 1.531 0.000) 1.574 8.852 ( -2.499 -2.373 0.000) 3.447 8.852 ( 2.499 -2.373 0.000) 3.447 9.230 ( -2.175 6.004 0.000) 6.386 9.230 ( 2.175 6.004 0.000) 6.386 9.343 ( -2.554 -5.784 0.000) 6.323 9.343 ( 2.554 -5.784 0.000) 6.323 9.507 ( -0.423 2.044 0.000) 2.087 9.507 ( 0.423 2.044 0.000) 2.087 9.548 ( -0.737 -2.031 0.000) 2.160 9.548 ( 0.737 -2.031 0.000) 2.160 9.761 ( -2.105 3.577 0.000) 4.151 9.761 ( 2.105 3.577 0.000) 4.151 9.837 ( -1.723 -3.330 0.000) 3.749 9.837 ( 1.723 -3.330 0.000) 3.749 9.947 ( -7.987 1.569 0.000) 8.139 9.947 ( 7.987 1.569 0.000) 8.139 10.018 ( -8.149 -4.829 0.000) 9.473 10.018 ( 8.149 -4.829 0.000) 9.473 10.422 ( -2.055 3.383 0.000) 3.958 10.422 ( 2.055 3.383 0.000) 3.958 10.473 ( -2.928 -1.349 0.000) 3.224 10.473 ( 2.928 -1.349 0.000) 3.224 10.840 ( -1.262 9.884 0.000) 9.964 10.840 ( 1.262 9.884 0.000) 9.964 10.991 ( -1.468 -5.757 0.000) 5.941 10.991 ( 1.468 -5.757 0.000) 5.941 11.024 ( -5.577 5.641 0.000) 7.932 11.024 ( 5.577 5.641 0.000) 7.932 11.147 ( -12.380 -6.320 0.000) 13.900 11.147 ( 12.380 -6.320 0.000) 13.900 11.515 ( -3.819 5.567 0.000) 6.751 11.515 ( 3.819 5.567 0.000) 6.751 11.618 ( -4.058 -3.706 0.000) 5.496 11.618 ( 4.058 -3.706 0.000) 5.496 11.901 ( -2.708 3.631 0.000) 4.530 11.901 ( 2.708 3.631 0.000) 4.530 11.940 ( -7.785 0.170 0.000) 7.787 11.940 ( 7.785 0.170 0.000) 7.787 12.173 ( -6.602 4.839 0.000) 8.185 12.173 ( 6.602 4.839 0.000) 8.185 12.249 ( -5.453 -1.477 0.000) 5.649 12.249 ( 5.453 -1.477 0.000) 5.649 12.372 ( -8.070 -0.195 0.000) 8.072 12.372 ( 8.070 -0.195 0.000) 8.072 12.560 ( -4.605 -15.246 0.000) 15.926 12.560 ( 4.605 -15.246 0.000) 15.926 13.687 ( -1.656 5.128 0.000) 5.388 13.687 ( 1.656 5.128 0.000) 5.388 13.789 ( -0.026 -5.525 0.000) 5.525 13.789 ( 0.026 -5.525 0.000) 5.525 13.982 ( -1.151 3.875 0.000) 4.043 13.982 ( 1.151 3.875 0.000) 4.043 14.039 ( -2.286 -2.315 0.000) 3.253 14.039 ( 2.286 -2.315 0.000) 3.253 14.614 ( -5.329 3.505 0.000) 6.378 14.614 ( 5.329 3.505 0.000) 6.378 14.671 ( -5.027 -1.582 0.000) 5.270 14.671 ( 5.027 -1.582 0.000) 5.270 14.837 ( -10.492 2.761 0.000) 10.850 14.837 ( 10.492 2.761 0.000) 10.850 14.896 ( -10.912 -2.927 0.000) 11.298 14.896 ( 10.912 -2.927 0.000) 11.298 14.940 ( -1.807 3.393 0.000) 3.844 14.940 ( 1.807 3.393 0.000) 3.844 15.030 ( -2.265 -5.034 0.000) 5.520 15.030 ( 2.265 -5.034 0.000) 5.520 15.587 ( -5.055 8.343 0.000) 9.755 15.587 ( 5.055 8.343 0.000) 9.755 15.713 ( -3.975 -4.922 0.000) 6.327 15.713 ( 3.975 -4.922 0.000) 6.327 21.695 ( -0.584 0.168 0.000) 0.607 21.695 ( 0.584 0.168 0.000) 0.607 21.700 ( -0.690 -0.427 0.000) 0.812 21.700 ( 0.690 -0.427 0.000) 0.812 22.103 ( -4.455 2.981 0.000) 5.360 22.103 ( 4.455 2.981 0.000) 5.360 22.158 ( -4.587 -2.702 0.000) 5.324 22.158 ( 4.587 -2.702 0.000) 5.324 22.392 ( -4.839 2.434 0.000) 5.416 22.392 ( 4.839 2.434 0.000) 5.416 22.436 ( -3.211 -1.745 0.000) 3.654 22.436 ( 3.211 -1.745 0.000) 3.654 22.581 ( -3.127 0.125 0.000) 3.129 22.581 ( 3.127 0.125 0.000) 3.129 22.607 ( -1.496 -2.116 0.000) 2.592 22.607 ( 1.496 -2.116 0.000) 2.592 23.352 ( -2.355 1.225 0.000) 2.655 23.352 ( 2.355 1.225 0.000) 2.655 23.373 ( -2.078 -1.062 0.000) 2.334 23.373 ( 2.078 -1.062 0.000) 2.334 23.714 ( -6.240 6.451 0.000) 8.975 23.714 ( 6.240 6.451 0.000) 8.975 23.833 ( -4.662 -5.897 0.000) 7.517 23.833 ( 4.662 -5.897 0.000) 7.517 25.184 ( -5.741 3.179 0.000) 6.562 25.184 ( 5.741 3.179 0.000) 6.562 25.252 ( -4.965 -3.730 0.000) 6.210 25.252 ( 4.965 -3.730 0.000) 6.210 25.647 ( -11.191 2.153 0.000) 11.396 25.647 ( 11.191 2.153 0.000) 11.396 25.706 ( -8.266 -4.077 0.000) 9.217 25.706 ( 8.266 -4.077 0.000) 9.217 26.798 ( -5.229 2.231 0.000) 5.686 26.798 ( 5.229 2.231 0.000) 5.686 26.851 ( -5.407 -3.342 0.000) 6.356 26.851 ( 5.407 -3.342 0.000) 6.356 27.222 ( -5.841 5.474 0.000) 8.006 27.222 ( 5.841 5.474 0.000) 8.006 27.323 ( -4.833 -4.962 0.000) 6.927 27.323 ( 4.833 -4.962 0.000) 6.927 28.645 ( -3.699 6.171 0.000) 7.195 28.645 ( 3.699 6.171 0.000) 7.195 28.684 ( -2.206 2.945 0.000) 3.680 28.684 ( 2.206 2.945 0.000) 3.680 29.244 ( -8.669 2.167 0.000) 8.935 29.244 ( 8.669 2.167 0.000) 8.935 29.365 ( -1.555 -9.848 0.000) 9.970 29.365 ( 1.555 -9.848 0.000) 9.970 30.850 ( -1.970 1.645 0.000) 2.567 30.850 ( 1.970 1.645 0.000) 2.567 30.882 ( -1.777 -1.693 0.000) 2.455 30.882 ( 1.777 -1.693 0.000) 2.455 31.018 ( -4.235 3.889 0.000) 5.750 31.018 ( 4.235 3.889 0.000) 5.750 31.095 ( -5.087 -4.013 0.000) 6.480 31.095 ( 5.087 -4.013 0.000) 6.480 39.676 ( -1.651 1.603 0.000) 2.301 39.676 ( 1.651 1.603 0.000) 2.301 39.702 ( -1.737 -0.812 0.000) 1.918 39.702 ( 1.737 -0.812 0.000) 1.918 39.760 ( -3.280 0.646 0.000) 3.343 39.760 ( 3.280 0.646 0.000) 3.343 39.779 ( -2.962 -1.006 0.000) 3.128 39.779 ( 2.962 -1.006 0.000) 3.128 71.094 ( -28.632 3.444 0.000) 28.839 71.094 ( 28.632 3.444 0.000) 28.839 71.163 ( -28.153 -3.301 0.000) 28.346 71.163 ( 28.153 -3.301 0.000) 28.346 71.832 ( -28.847 24.206 0.000) 37.657 71.832 ( 28.847 24.206 0.000) 37.657 72.375 ( -22.730 -32.375 0.000) 39.557 72.375 ( 22.730 -32.375 0.000) 39.557 105.141 ( -0.660 0.583 0.000) 0.880 105.141 ( 0.660 0.583 0.000) 0.880 105.155 ( -0.634 -0.904 0.000) 1.104 105.155 ( 0.634 -0.904 0.000) 1.104 105.247 ( -1.051 0.479 0.000) 1.155 105.247 ( 1.051 0.479 0.000) 1.155 105.252 ( -1.215 -0.060 0.000) 1.217 105.252 ( 1.215 -0.060 0.000) 1.217 ======================= Grid point 35 (13/36) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 0.000 0.000 35.969) 35.969 0.784 ( 0.000 0.000 36.101) 36.101 1.395 ( 0.000 0.000 63.292) 63.292 2.527 ( 0.000 0.000 -9.629) 9.629 2.582 ( 0.000 0.000 2.759) 2.759 2.709 ( 0.000 0.000 -12.979) 12.979 2.737 ( 0.000 0.000 1.782) 1.782 2.760 ( 0.000 0.000 3.756) 3.756 2.930 ( 0.000 0.000 0.523) 0.523 2.957 ( 0.000 0.000 -5.442) 5.442 3.033 ( 0.000 0.000 3.826) 3.826 3.119 ( 0.000 0.000 -0.206) 0.206 3.160 ( 0.000 0.000 1.304) 1.304 3.285 ( 0.000 0.000 0.639) 0.639 3.387 ( 0.000 0.000 -5.179) 5.179 3.548 ( 0.000 0.000 -5.309) 5.309 3.587 ( 0.000 0.000 7.536) 7.536 3.681 ( 0.000 0.000 -1.192) 1.192 3.735 ( 0.000 0.000 3.371) 3.371 3.816 ( 0.000 0.000 -2.206) 2.206 3.870 ( 0.000 0.000 2.608) 2.608 3.889 ( 0.000 0.000 8.041) 8.041 3.907 ( 0.000 0.000 3.868) 3.868 3.995 ( 0.000 0.000 9.032) 9.032 4.114 ( 0.000 0.000 2.830) 2.830 4.142 ( 0.000 0.000 13.520) 13.520 4.213 ( 0.000 0.000 -18.486) 18.486 4.248 ( 0.000 0.000 -5.891) 5.891 4.330 ( 0.000 0.000 -4.387) 4.387 4.457 ( 0.000 0.000 -3.881) 3.881 4.589 ( 0.000 0.000 -0.331) 0.331 4.694 ( 0.000 0.000 -5.374) 5.374 4.839 ( 0.000 0.000 -4.616) 4.616 4.867 ( 0.000 0.000 -8.053) 8.053 4.933 ( 0.000 0.000 1.737) 1.737 5.003 ( 0.000 0.000 -2.514) 2.514 5.090 ( 0.000 0.000 0.730) 0.730 5.148 ( 0.000 0.000 4.073) 4.073 5.183 ( 0.000 0.000 -6.673) 6.673 5.289 ( 0.000 0.000 -1.265) 1.265 5.334 ( 0.000 0.000 3.112) 3.112 5.398 ( 0.000 0.000 5.375) 5.375 5.451 ( 0.000 0.000 -9.520) 9.520 5.473 ( 0.000 0.000 8.824) 8.824 5.696 ( 0.000 0.000 2.904) 2.904 5.699 ( 0.000 0.000 -2.920) 2.920 5.777 ( 0.000 0.000 -15.162) 15.162 5.786 ( 0.000 0.000 -2.003) 2.003 5.901 ( 0.000 0.000 6.074) 6.074 5.953 ( 0.000 0.000 -17.472) 17.472 6.094 ( 0.000 0.000 -7.105) 7.105 6.103 ( 0.000 0.000 -5.638) 5.638 6.194 ( 0.000 0.000 -4.968) 4.968 6.218 ( 0.000 0.000 -1.068) 1.068 6.231 ( 0.000 0.000 -3.379) 3.379 6.347 ( 0.000 0.000 -5.766) 5.766 6.485 ( 0.000 0.000 10.293) 10.293 6.512 ( 0.000 0.000 0.505) 0.505 6.678 ( 0.000 0.000 7.560) 7.560 6.711 ( 0.000 0.000 3.250) 3.250 6.728 ( 0.000 0.000 -0.673) 0.673 6.873 ( 0.000 0.000 1.541) 1.541 6.879 ( 0.000 0.000 -0.097) 0.097 6.883 ( 0.000 0.000 1.458) 1.458 6.891 ( 0.000 0.000 6.516) 6.516 6.968 ( 0.000 0.000 0.229) 0.229 7.036 ( 0.000 0.000 -6.894) 6.894 7.199 ( 0.000 0.000 10.726) 10.726 7.281 ( 0.000 0.000 3.421) 3.421 7.286 ( 0.000 0.000 -0.537) 0.537 7.310 ( 0.000 0.000 4.560) 4.560 7.378 ( 0.000 0.000 2.987) 2.987 7.394 ( 0.000 0.000 7.494) 7.494 7.546 ( 0.000 0.000 -7.396) 7.396 7.586 ( 0.000 0.000 0.496) 0.496 7.894 ( 0.000 0.000 -1.185) 1.185 7.929 ( 0.000 0.000 -3.736) 3.736 7.950 ( 0.000 0.000 -2.632) 2.632 7.968 ( 0.000 0.000 -3.991) 3.991 7.999 ( 0.000 0.000 3.454) 3.454 8.092 ( 0.000 0.000 6.308) 6.308 8.214 ( 0.000 0.000 2.987) 2.987 8.310 ( 0.000 0.000 -0.584) 0.584 8.332 ( 0.000 0.000 5.358) 5.358 8.462 ( 0.000 0.000 0.853) 0.853 8.555 ( 0.000 0.000 -0.949) 0.949 8.655 ( 0.000 0.000 7.119) 7.119 8.693 ( 0.000 0.000 -4.783) 4.783 8.853 ( 0.000 0.000 -5.799) 5.799 8.863 ( 0.000 0.000 -11.485) 11.485 8.905 ( 0.000 0.000 -8.653) 8.653 8.962 ( 0.000 0.000 -10.499) 10.499 9.169 ( 0.000 0.000 3.982) 3.982 9.306 ( 0.000 0.000 2.141) 2.141 9.336 ( 0.000 0.000 -1.068) 1.068 9.372 ( 0.000 0.000 -7.738) 7.738 9.519 ( 0.000 0.000 -5.631) 5.631 9.561 ( 0.000 0.000 7.450) 7.450 9.569 ( 0.000 0.000 4.268) 4.268 9.663 ( 0.000 0.000 -0.951) 0.951 9.693 ( 0.000 0.000 1.240) 1.240 9.722 ( 0.000 0.000 3.270) 3.270 9.744 ( 0.000 0.000 8.055) 8.055 9.974 ( 0.000 0.000 2.309) 2.309 10.016 ( 0.000 0.000 -0.018) 0.018 10.065 ( 0.000 0.000 -1.375) 1.375 10.126 ( 0.000 0.000 -3.401) 3.401 10.160 ( 0.000 0.000 -1.168) 1.168 10.280 ( 0.000 0.000 -1.531) 1.531 10.306 ( 0.000 0.000 0.235) 0.235 10.308 ( 0.000 0.000 2.236) 2.236 10.330 ( 0.000 0.000 0.138) 0.138 10.521 ( 0.000 0.000 2.412) 2.412 10.638 ( 0.000 0.000 5.695) 5.695 10.768 ( 0.000 0.000 -4.040) 4.040 10.785 ( 0.000 0.000 -0.479) 0.479 10.928 ( 0.000 0.000 -2.685) 2.685 11.080 ( 0.000 0.000 -2.520) 2.520 11.411 ( 0.000 0.000 1.039) 1.039 11.430 ( 0.000 0.000 0.487) 0.487 11.495 ( 0.000 0.000 1.085) 1.085 11.614 ( 0.000 0.000 -1.498) 1.498 11.639 ( 0.000 0.000 -2.879) 2.879 11.649 ( 0.000 0.000 -0.490) 0.490 11.669 ( 0.000 0.000 -5.122) 5.122 11.737 ( 0.000 0.000 1.571) 1.571 11.981 ( 0.000 0.000 12.629) 12.629 11.999 ( 0.000 0.000 8.825) 8.825 12.089 ( 0.000 0.000 2.185) 2.185 12.100 ( 0.000 0.000 -2.274) 2.274 12.309 ( 0.000 0.000 1.045) 1.045 12.432 ( 0.000 0.000 -1.350) 1.350 12.587 ( 0.000 0.000 0.719) 0.719 12.656 ( 0.000 0.000 -14.916) 14.916 12.751 ( 0.000 0.000 2.683) 2.683 13.068 ( 0.000 0.000 -3.397) 3.397 13.717 ( 0.000 0.000 1.011) 1.011 13.756 ( 0.000 0.000 5.711) 5.711 13.858 ( 0.000 0.000 1.955) 1.955 13.863 ( 0.000 0.000 -3.154) 3.154 13.939 ( 0.000 0.000 -4.468) 4.468 13.951 ( 0.000 0.000 0.965) 0.965 13.968 ( 0.000 0.000 1.442) 1.442 14.042 ( 0.000 0.000 -1.715) 1.715 14.146 ( 0.000 0.000 0.487) 0.487 14.203 ( 0.000 0.000 -1.370) 1.370 14.450 ( 0.000 0.000 5.850) 5.850 14.450 ( 0.000 0.000 1.415) 1.415 14.604 ( 0.000 0.000 0.062) 0.062 14.744 ( 0.000 0.000 -4.306) 4.306 14.777 ( 0.000 0.000 2.663) 2.663 14.896 ( 0.000 0.000 -1.801) 1.801 15.021 ( 0.000 0.000 0.872) 0.872 15.031 ( 0.000 0.000 5.736) 5.736 15.175 ( 0.000 0.000 -5.360) 5.360 15.246 ( 0.000 0.000 3.444) 3.444 15.322 ( 0.000 0.000 -1.526) 1.526 15.394 ( 0.000 0.000 7.411) 7.411 15.465 ( 0.000 0.000 -1.832) 1.832 15.790 ( 0.000 0.000 -1.952) 1.952 21.718 ( 0.000 0.000 3.139) 3.139 21.726 ( 0.000 0.000 0.693) 0.693 21.793 ( 0.000 0.000 4.992) 4.992 21.849 ( 0.000 0.000 -2.112) 2.112 22.003 ( 0.000 0.000 -3.559) 3.559 22.189 ( 0.000 0.000 -3.048) 3.048 22.279 ( 0.000 0.000 0.373) 0.373 22.297 ( 0.000 0.000 2.705) 2.705 22.359 ( 0.000 0.000 -1.110) 1.110 22.554 ( 0.000 0.000 -0.576) 0.576 22.593 ( 0.000 0.000 -1.574) 1.574 22.618 ( 0.000 0.000 -6.028) 6.028 22.699 ( 0.000 0.000 2.179) 2.179 22.713 ( 0.000 0.000 1.489) 1.489 22.833 ( 0.000 0.000 2.326) 2.326 22.895 ( 0.000 0.000 0.933) 0.933 23.098 ( 0.000 0.000 -0.258) 0.258 23.114 ( 0.000 0.000 -0.476) 0.476 23.120 ( 0.000 0.000 -1.623) 1.623 23.173 ( 0.000 0.000 -0.291) 0.291 23.289 ( 0.000 0.000 7.782) 7.782 23.361 ( 0.000 0.000 4.076) 4.076 23.722 ( 0.000 0.000 -4.810) 4.810 23.918 ( 0.000 0.000 -7.020) 7.020 24.946 ( 0.000 0.000 3.364) 3.364 25.007 ( 0.000 0.000 2.163) 2.163 25.144 ( 0.000 0.000 -1.183) 1.183 25.175 ( 0.000 0.000 -1.845) 1.845 25.438 ( 0.000 0.000 2.750) 2.750 25.711 ( 0.000 0.000 3.825) 3.825 25.732 ( 0.000 0.000 -3.761) 3.761 26.035 ( 0.000 0.000 -3.109) 3.109 26.720 ( 0.000 0.000 2.794) 2.794 26.948 ( 0.000 0.000 -2.214) 2.214 27.078 ( 0.000 0.000 3.870) 3.870 27.128 ( 0.000 0.000 3.464) 3.464 27.343 ( 0.000 0.000 -1.427) 1.427 27.365 ( 0.000 0.000 -2.024) 2.024 27.426 ( 0.000 0.000 -0.265) 0.265 27.436 ( 0.000 0.000 -0.839) 0.839 28.268 ( 0.000 0.000 1.304) 1.304 28.449 ( 0.000 0.000 -3.595) 3.595 28.614 ( 0.000 0.000 3.515) 3.515 28.658 ( 0.000 0.000 2.470) 2.470 28.826 ( 0.000 0.000 -2.062) 2.062 28.867 ( 0.000 0.000 -1.498) 1.498 29.695 ( 0.000 0.000 -3.038) 3.038 29.719 ( 0.000 0.000 -2.831) 2.831 30.733 ( 0.000 0.000 0.844) 0.844 30.810 ( 0.000 0.000 -0.794) 0.794 30.851 ( 0.000 0.000 1.260) 1.260 30.920 ( 0.000 0.000 1.504) 1.504 30.974 ( 0.000 0.000 -0.469) 0.469 31.042 ( 0.000 0.000 -0.369) 0.369 31.418 ( 0.000 0.000 0.465) 0.465 31.471 ( 0.000 0.000 -0.690) 0.690 39.580 ( 0.000 0.000 0.248) 0.248 39.605 ( 0.000 0.000 -0.285) 0.285 39.701 ( 0.000 0.000 0.425) 0.425 39.736 ( 0.000 0.000 -0.289) 0.289 39.771 ( 0.000 0.000 0.095) 0.095 39.791 ( 0.000 0.000 -0.306) 0.306 39.825 ( 0.000 0.000 0.431) 0.431 39.871 ( 0.000 0.000 -0.590) 0.590 69.893 ( 0.000 0.000 0.601) 0.601 69.960 ( 0.000 0.000 -0.872) 0.872 70.296 ( 0.000 0.000 -0.063) 0.063 70.346 ( 0.000 0.000 -1.153) 1.153 72.200 ( 0.000 0.000 -0.278) 0.278 72.202 ( 0.000 0.000 8.777) 8.777 72.216 ( 0.000 0.000 -0.601) 0.601 73.117 ( 0.000 0.000 -11.005) 11.005 105.103 ( 0.000 0.000 0.627) 0.627 105.115 ( 0.000 0.000 0.685) 0.685 105.156 ( 0.000 0.000 -0.423) 0.423 105.183 ( 0.000 0.000 -0.967) 0.967 105.217 ( 0.000 0.000 0.664) 0.664 105.261 ( 0.000 0.000 -0.460) 0.460 105.264 ( 0.000 0.000 0.326) 0.326 105.301 ( 0.000 0.000 -0.591) 0.591 ======================= Grid point 36 (14/36) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 19.935 0.000 26.239) 32.953 1.009 ( 21.711 0.000 26.411) 34.189 1.733 ( 29.585 0.000 47.399) 55.874 2.428 ( -9.436 0.000 2.260) 9.703 2.538 ( -13.807 0.000 -7.004) 15.482 2.543 ( 0.127 0.000 -3.359) 3.361 2.699 ( -7.535 0.000 1.550) 7.693 2.741 ( -1.595 0.000 3.192) 3.569 2.805 ( -11.582 0.000 2.061) 11.764 2.961 ( -0.732 0.000 -5.109) 5.161 2.973 ( -4.679 0.000 4.018) 6.168 3.158 ( 0.547 0.000 -3.406) 3.450 3.197 ( 1.048 0.000 -1.565) 1.883 3.388 ( 0.744 0.000 6.067) 6.112 3.445 ( -5.905 0.000 -0.934) 5.978 3.523 ( 10.348 0.000 1.972) 10.535 3.543 ( -4.448 0.000 5.784) 7.297 3.555 ( -13.321 0.000 2.307) 13.519 3.657 ( -9.701 0.000 2.338) 9.979 3.669 ( -5.172 0.000 -0.071) 5.172 3.778 ( 4.629 0.000 0.588) 4.666 3.868 ( 0.739 0.000 0.179) 0.761 3.989 ( 16.983 0.000 -4.847) 17.661 4.097 ( -4.183 0.000 -4.159) 5.898 4.221 ( 3.785 0.000 2.573) 4.577 4.234 ( 6.174 0.000 -4.819) 7.832 4.272 ( 0.309 0.000 -10.241) 10.245 4.276 ( 11.434 0.000 -5.716) 12.784 4.466 ( 15.567 0.000 1.001) 15.599 4.511 ( 5.338 0.000 0.691) 5.382 4.543 ( -5.316 0.000 -6.140) 8.121 4.740 ( 10.005 0.000 2.756) 10.378 4.825 ( -2.894 0.000 -4.056) 4.983 4.848 ( -5.493 0.000 -2.491) 6.032 4.992 ( -7.502 0.000 -4.704) 8.855 5.044 ( -6.448 0.000 2.294) 6.844 5.051 ( 16.918 0.000 -3.114) 17.203 5.072 ( -1.702 0.000 0.393) 1.746 5.195 ( -10.047 0.000 -0.518) 10.060 5.290 ( 4.013 0.000 -1.233) 4.198 5.401 ( 2.801 0.000 3.133) 4.203 5.414 ( 6.191 0.000 -5.404) 8.218 5.480 ( 1.334 0.000 2.466) 2.804 5.565 ( -5.625 0.000 -2.676) 6.229 5.604 ( 1.276 0.000 2.366) 2.688 5.642 ( -10.110 0.000 -2.571) 10.431 5.681 ( 0.025 0.000 -3.146) 3.146 5.711 ( -0.092 0.000 -1.067) 1.071 5.845 ( -10.102 0.000 -1.110) 10.163 5.907 ( -1.175 0.000 -2.393) 2.666 5.935 ( -8.955 0.000 1.633) 9.102 6.089 ( -6.984 0.000 3.293) 7.721 6.152 ( -1.893 0.000 -10.217) 10.391 6.226 ( -0.906 0.000 -0.049) 0.907 6.282 ( 8.507 0.000 -4.920) 9.828 6.383 ( -1.454 0.000 1.294) 1.947 6.439 ( -2.721 0.000 2.341) 3.590 6.472 ( 3.226 0.000 -1.439) 3.533 6.654 ( -4.281 0.000 1.989) 4.720 6.656 ( 0.627 0.000 -3.796) 3.848 6.785 ( -5.216 0.000 9.910) 11.199 6.839 ( -4.870 0.000 -3.699) 6.116 6.841 ( -2.632 0.000 1.253) 2.915 6.970 ( 3.735 0.000 3.907) 5.405 6.984 ( 5.312 0.000 -7.817) 9.451 7.043 ( 7.628 0.000 1.783) 7.834 7.068 ( 2.245 0.000 -3.252) 3.952 7.209 ( 2.172 0.000 5.639) 6.043 7.258 ( -3.741 0.000 0.887) 3.845 7.280 ( -3.880 0.000 5.248) 6.526 7.325 ( 6.437 0.000 0.543) 6.460 7.401 ( 1.993 0.000 9.428) 9.636 7.446 ( 5.200 0.000 -2.931) 5.969 7.588 ( 0.773 0.000 3.429) 3.515 7.620 ( 4.871 0.000 -6.093) 7.801 7.806 ( -9.392 0.000 -5.303) 10.786 7.865 ( -1.283 0.000 -1.021) 1.640 7.923 ( -3.684 0.000 -1.994) 4.189 7.923 ( -4.204 0.000 -4.256) 5.983 8.005 ( 0.524 0.000 -1.824) 1.898 8.154 ( 0.013 0.000 7.779) 7.779 8.217 ( 0.384 0.000 2.131) 2.165 8.298 ( 0.396 0.000 3.342) 3.366 8.393 ( 5.109 0.000 2.540) 5.705 8.401 ( -0.484 0.000 -1.225) 1.317 8.582 ( 3.312 0.000 1.194) 3.520 8.657 ( 1.656 0.000 6.581) 6.786 8.665 ( -9.898 0.000 6.767) 11.990 8.753 ( 0.520 0.000 0.788) 0.944 8.826 ( -3.974 0.000 -8.947) 9.790 8.869 ( 1.504 0.000 -7.546) 7.695 8.956 ( -3.088 0.000 -5.034) 5.906 9.262 ( -8.266 0.000 -3.779) 9.089 9.280 ( 13.031 0.000 -12.627) 18.145 9.385 ( 4.608 0.000 -2.879) 5.433 9.407 ( 2.300 0.000 -3.279) 4.006 9.510 ( -5.472 0.000 3.092) 6.285 9.539 ( -2.344 0.000 5.363) 5.853 9.602 ( -4.191 0.000 0.944) 4.296 9.647 ( 5.982 0.000 -3.426) 6.893 9.702 ( 1.587 0.000 1.306) 2.055 9.728 ( -0.265 0.000 4.248) 4.256 9.728 ( -2.611 0.000 8.191) 8.597 9.892 ( -4.925 0.000 3.166) 5.855 10.003 ( -0.910 0.000 -2.419) 2.585 10.051 ( -0.421 0.000 7.899) 7.910 10.088 ( -1.652 0.000 -5.768) 6.000 10.159 ( 2.069 0.000 3.228) 3.835 10.219 ( -4.265 0.000 2.053) 4.733 10.242 ( 3.453 0.000 1.063) 3.613 10.400 ( 3.210 0.000 3.049) 4.428 10.467 ( 4.699 0.000 -2.928) 5.537 10.532 ( 0.705 0.000 1.665) 1.808 10.680 ( 3.559 0.000 3.441) 4.951 10.776 ( 1.600 0.000 -3.979) 4.289 10.824 ( 3.180 0.000 -0.543) 3.226 10.938 ( 1.358 0.000 -2.203) 2.588 10.959 ( -2.433 0.000 4.381) 5.011 11.383 ( -8.205 0.000 1.918) 8.426 11.441 ( 1.108 0.000 0.660) 1.290 11.444 ( -5.277 0.000 -4.239) 6.769 11.507 ( 4.003 0.000 -5.189) 6.554 11.631 ( 1.762 0.000 0.643) 1.876 11.692 ( -0.565 0.000 3.236) 3.285 11.726 ( 0.772 0.000 -0.674) 1.025 11.795 ( 0.187 0.000 -1.477) 1.489 11.941 ( -2.370 0.000 10.015) 10.291 12.004 ( 5.296 0.000 6.940) 8.729 12.150 ( -2.227 0.000 3.944) 4.530 12.165 ( 5.743 0.000 -1.556) 5.950 12.228 ( -7.079 0.000 1.182) 7.177 12.449 ( 0.152 0.000 -0.403) 0.431 12.513 ( -16.542 0.000 -0.626) 16.554 12.622 ( 3.577 0.000 -14.476) 14.911 12.806 ( 7.767 0.000 -12.213) 14.473 12.952 ( -10.263 0.000 -4.544) 11.224 13.634 ( -2.481 0.000 5.574) 6.101 13.743 ( -1.152 0.000 0.775) 1.389 13.821 ( -2.796 0.000 -3.128) 4.195 13.880 ( 0.562 0.000 6.178) 6.203 13.886 ( 2.713 0.000 1.486) 3.094 13.958 ( -1.515 0.000 -0.397) 1.566 14.112 ( 3.808 0.000 0.951) 3.925 14.113 ( -1.239 0.000 5.451) 5.590 14.292 ( 11.008 0.000 -0.975) 11.051 14.323 ( 15.487 0.000 1.115) 15.527 14.475 ( 2.763 0.000 1.973) 3.395 14.592 ( 2.013 0.000 -2.013) 2.847 14.674 ( 5.402 0.000 -5.303) 7.570 14.698 ( -1.059 0.000 -2.985) 3.168 14.783 ( 6.361 0.000 -2.098) 6.698 14.857 ( -6.060 0.000 2.701) 6.634 15.023 ( 5.632 0.000 -1.545) 5.840 15.152 ( 5.767 0.000 2.287) 6.204 15.189 ( 1.098 0.000 -4.413) 4.548 15.200 ( -4.605 0.000 3.293) 5.662 15.363 ( -3.140 0.000 7.708) 8.323 15.405 ( -2.831 0.000 -1.729) 3.318 15.493 ( 9.607 0.000 -11.077) 14.663 15.782 ( -0.856 0.000 -2.453) 2.598 21.718 ( 0.075 0.000 2.763) 2.764 21.728 ( 0.138 0.000 1.573) 1.579 21.786 ( -0.687 0.000 4.832) 4.880 21.871 ( 2.348 0.000 -2.163) 3.193 22.022 ( 1.988 0.000 -3.850) 4.333 22.035 ( -19.007 0.000 15.791) 24.710 22.163 ( -2.665 0.000 -2.717) 3.806 22.275 ( -0.636 0.000 1.368) 1.509 22.338 ( -2.479 0.000 -1.307) 2.802 22.416 ( 2.699 0.000 3.688) 4.570 22.484 ( -5.208 0.000 -3.154) 6.089 22.599 ( -7.565 0.000 0.472) 7.580 22.608 ( -4.377 0.000 0.342) 4.391 22.646 ( -1.683 0.000 -2.288) 2.840 22.794 ( -3.673 0.000 2.274) 4.320 22.897 ( -3.403 0.000 -0.885) 3.516 23.154 ( 4.539 0.000 -0.513) 4.568 23.182 ( 7.804 0.000 -2.158) 8.097 23.195 ( 7.694 0.000 1.257) 7.796 23.320 ( 3.039 0.000 6.332) 7.023 23.410 ( 4.104 0.000 4.380) 6.002 23.608 ( 16.428 0.000 -12.746) 20.793 23.711 ( -0.534 0.000 -4.067) 4.102 23.924 ( 0.385 0.000 -6.613) 6.624 24.973 ( 3.224 0.000 3.148) 4.506 25.182 ( 3.847 0.000 -0.802) 3.930 25.187 ( 10.787 0.000 -5.455) 12.088 25.211 ( 4.058 0.000 -2.204) 4.618 25.437 ( -0.148 0.000 2.824) 2.828 25.666 ( -1.601 0.000 -1.968) 2.537 25.765 ( 1.215 0.000 -2.814) 3.065 25.977 ( -6.146 0.000 -3.063) 6.867 26.748 ( 2.777 0.000 2.854) 3.982 26.959 ( 1.329 0.000 -1.938) 2.350 27.016 ( -6.584 0.000 8.029) 10.383 27.071 ( -5.602 0.000 7.738) 9.553 27.221 ( -9.043 0.000 7.925) 12.024 27.290 ( -4.478 0.000 -0.745) 4.540 27.378 ( 0.372 0.000 -2.653) 2.678 27.424 ( -1.122 0.000 -1.333) 1.743 28.291 ( 2.879 0.000 0.865) 3.006 28.453 ( 0.489 0.000 -3.127) 3.165 28.597 ( -1.798 0.000 3.102) 3.585 28.600 ( -2.934 0.000 3.066) 4.243 28.921 ( 5.661 0.000 -1.211) 5.789 29.160 ( 18.655 0.000 -18.046) 25.955 29.633 ( -6.474 0.000 -2.577) 6.968 29.696 ( -2.489 0.000 -3.410) 4.221 30.747 ( 1.414 0.000 0.850) 1.650 30.824 ( 1.550 0.000 -0.821) 1.754 30.868 ( 1.726 0.000 1.215) 2.111 30.909 ( -1.299 0.000 1.648) 2.099 30.999 ( 2.703 0.000 -0.802) 2.819 31.026 ( -1.607 0.000 -0.357) 1.646 31.266 ( -13.733 0.000 9.643) 16.781 31.381 ( -3.849 0.000 0.104) 3.850 39.588 ( 0.935 0.000 0.255) 0.969 39.615 ( 1.059 0.000 -0.301) 1.101 39.693 ( -0.840 0.000 0.407) 0.934 39.736 ( -0.193 0.000 -0.679) 0.706 39.746 ( -1.401 0.000 2.127) 2.547 39.766 ( -0.357 0.000 0.412) 0.545 39.841 ( -0.409 0.000 -0.587) 0.716 39.860 ( -1.210 0.000 -0.492) 1.306 70.067 ( 18.375 0.000 0.441) 18.381 70.120 ( 16.977 0.000 -0.414) 16.982 70.525 ( 18.350 0.000 0.534) 18.358 71.599 ( 78.943 0.000 -68.331) 104.409 72.027 ( -15.811 0.000 3.782) 16.257 72.058 ( -15.012 0.000 -0.287) 15.015 72.165 ( -8.526 0.000 4.545) 9.661 73.102 ( -1.856 0.000 -12.584) 12.720 105.108 ( 0.599 0.000 0.229) 0.641 105.138 ( 1.707 0.000 0.291) 1.732 105.159 ( 0.356 0.000 -0.415) 0.547 105.190 ( 0.624 0.000 -0.769) 0.990 105.214 ( -0.337 0.000 0.454) 0.565 105.231 ( -2.046 0.000 0.639) 2.144 105.260 ( -0.589 0.000 0.324) 0.672 105.293 ( -0.886 0.000 -0.563) 1.050 ======================= Grid point 37 (15/36) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 23.960 0.000 14.945) 28.239 1.487 ( 28.289 0.000 14.127) 31.620 2.038 ( -4.311 0.000 21.010) 21.447 2.274 ( -13.768 0.000 -2.262) 13.952 2.430 ( 7.978 0.000 0.308) 7.984 2.487 ( -11.860 0.000 8.768) 14.749 2.613 ( 4.465 0.000 5.057) 6.746 2.625 ( -9.038 0.000 -1.282) 9.129 2.734 ( 6.913 0.000 11.663) 13.558 2.816 ( -12.536 0.000 -1.040) 12.579 2.898 ( -2.133 0.000 6.926) 7.247 2.992 ( -20.739 0.000 7.980) 22.221 3.190 ( 3.395 0.000 -5.471) 6.438 3.211 ( -1.050 0.000 7.668) 7.740 3.338 ( -6.842 0.000 0.403) 6.854 3.409 ( -7.276 0.000 7.719) 10.608 3.496 ( -2.893 0.000 3.234) 4.339 3.611 ( 10.114 0.000 -9.622) 13.959 3.648 ( -4.496 0.000 -1.797) 4.842 3.830 ( 17.384 0.000 -0.224) 17.385 3.898 ( 4.687 0.000 -8.017) 9.287 3.963 ( -10.193 0.000 -6.084) 11.871 4.050 ( 5.694 0.000 -1.249) 5.829 4.134 ( 7.717 0.000 -12.119) 14.368 4.210 ( 4.393 0.000 -6.817) 8.110 4.325 ( 4.537 0.000 -4.346) 6.283 4.429 ( 10.219 0.000 -8.324) 13.181 4.520 ( -8.174 0.000 -2.790) 8.637 4.525 ( 10.718 0.000 -4.061) 11.462 4.576 ( -2.473 0.000 -3.062) 3.937 4.704 ( -0.372 0.000 1.791) 1.830 4.742 ( 12.326 0.000 3.024) 12.692 4.755 ( -3.680 0.000 -4.151) 5.547 4.818 ( 4.102 0.000 -0.088) 4.103 4.886 ( -1.529 0.000 -6.937) 7.103 5.008 ( -10.177 0.000 -2.352) 10.446 5.040 ( 4.413 0.000 1.152) 4.561 5.125 ( 4.210 0.000 1.225) 4.384 5.276 ( -4.572 0.000 -5.525) 7.171 5.281 ( -2.251 0.000 4.990) 5.474 5.327 ( 3.416 0.000 1.464) 3.716 5.393 ( -6.958 0.000 8.344) 10.864 5.458 ( 2.184 0.000 0.115) 2.187 5.468 ( -15.292 0.000 -3.351) 15.655 5.550 ( 0.070 0.000 3.958) 3.959 5.582 ( 5.031 0.000 -1.931) 5.389 5.672 ( -3.770 0.000 1.814) 4.184 5.779 ( 1.638 0.000 6.749) 6.945 5.827 ( 7.942 0.000 -2.086) 8.211 5.897 ( 2.224 0.000 -0.245) 2.238 5.912 ( 3.334 0.000 -5.131) 6.119 6.011 ( 1.108 0.000 1.160) 1.604 6.120 ( 0.316 0.000 -4.109) 4.121 6.200 ( -1.576 0.000 5.206) 5.439 6.293 ( -5.844 0.000 2.035) 6.188 6.377 ( -3.373 0.000 0.473) 3.406 6.387 ( -5.341 0.000 4.267) 6.836 6.531 ( 3.242 0.000 0.671) 3.311 6.624 ( 8.421 0.000 -8.381) 11.881 6.652 ( -3.322 0.000 -5.671) 6.573 6.709 ( -6.670 0.000 -3.630) 7.594 6.736 ( -0.513 0.000 -2.167) 2.227 6.824 ( -0.086 0.000 -0.297) 0.309 6.926 ( -12.615 0.000 0.305) 12.619 6.989 ( -3.417 0.000 -14.134) 14.541 7.092 ( 0.540 0.000 7.062) 7.082 7.109 ( -8.277 0.000 0.264) 8.281 7.144 ( -2.957 0.000 6.964) 7.566 7.168 ( 3.912 0.000 0.936) 4.022 7.317 ( 6.201 0.000 3.582) 7.162 7.400 ( -3.880 0.000 4.516) 5.954 7.446 ( 3.059 0.000 1.838) 3.569 7.545 ( 4.797 0.000 -6.761) 8.290 7.600 ( 2.033 0.000 5.834) 6.178 7.656 ( -4.992 0.000 -2.723) 5.686 7.677 ( -0.869 0.000 -3.420) 3.529 7.858 ( -1.126 0.000 -5.041) 5.166 7.870 ( 2.547 0.000 -2.624) 3.656 7.941 ( 4.569 0.000 -0.884) 4.654 7.972 ( -3.480 0.000 -4.444) 5.644 8.107 ( -2.260 0.000 6.006) 6.417 8.240 ( 2.682 0.000 0.361) 2.706 8.273 ( -3.329 0.000 5.552) 6.474 8.407 ( -3.423 0.000 0.172) 3.427 8.486 ( 3.736 0.000 0.300) 3.748 8.591 ( 4.483 0.000 0.626) 4.527 8.653 ( -0.903 0.000 3.551) 3.664 8.729 ( 4.220 0.000 0.937) 4.323 8.765 ( 3.010 0.000 -1.126) 3.214 8.766 ( -1.013 0.000 0.522) 1.139 8.894 ( 2.159 0.000 -3.482) 4.097 8.960 ( 1.597 0.000 -2.861) 3.276 9.076 ( -7.849 0.000 0.423) 7.860 9.365 ( -11.927 0.000 5.974) 13.339 9.437 ( 1.084 0.000 2.033) 2.304 9.437 ( 3.382 0.000 -7.231) 7.983 9.483 ( -2.112 0.000 2.123) 2.995 9.490 ( 4.593 0.000 -7.307) 8.631 9.569 ( 0.764 0.000 1.800) 1.955 9.663 ( -3.564 0.000 6.538) 7.446 9.704 ( 0.169 0.000 3.353) 3.357 9.709 ( 3.703 0.000 -2.420) 4.423 9.774 ( 4.813 0.000 0.940) 4.904 9.820 ( -3.154 0.000 5.015) 5.924 10.007 ( -4.708 0.000 -5.569) 7.292 10.062 ( 6.620 0.000 -3.375) 7.431 10.120 ( -5.508 0.000 1.693) 5.762 10.165 ( 7.554 0.000 5.359) 9.262 10.247 ( 2.773 0.000 -0.662) 2.851 10.285 ( 3.238 0.000 2.488) 4.083 10.407 ( -2.472 0.000 3.968) 4.675 10.478 ( -2.716 0.000 -0.249) 2.728 10.573 ( 3.550 0.000 -0.186) 3.555 10.701 ( -1.775 0.000 0.430) 1.827 10.824 ( 3.110 0.000 -5.059) 5.938 10.870 ( 1.473 0.000 -1.296) 1.962 10.989 ( 4.407 0.000 -0.487) 4.433 11.021 ( 7.254 0.000 -0.385) 7.264 11.234 ( -7.812 0.000 2.764) 8.286 11.332 ( -7.093 0.000 -7.909) 10.624 11.479 ( 3.030 0.000 2.027) 3.645 11.573 ( 2.036 0.000 1.923) 2.800 11.648 ( -4.190 0.000 2.441) 4.849 11.662 ( -2.619 0.000 5.783) 6.349 11.731 ( 5.881 0.000 1.100) 5.983 11.798 ( 2.370 0.000 1.376) 2.740 11.917 ( -0.360 0.000 7.242) 7.251 12.067 ( -9.488 0.000 1.316) 9.579 12.079 ( -3.772 0.000 2.744) 4.665 12.148 ( 7.774 0.000 1.676) 7.953 12.208 ( -14.298 0.000 -0.155) 14.299 12.305 ( 7.439 0.000 -4.079) 8.484 12.418 ( -1.420 0.000 0.695) 1.581 12.723 ( 5.826 0.000 -15.797) 16.837 12.760 ( -10.179 0.000 -5.254) 11.455 12.871 ( -0.254 0.000 -13.952) 13.955 13.624 ( 0.826 0.000 5.580) 5.640 13.712 ( -2.569 0.000 1.990) 3.250 13.785 ( -0.879 0.000 -2.043) 2.224 13.871 ( -4.820 0.000 1.536) 5.059 13.912 ( 3.075 0.000 6.109) 6.840 13.970 ( 4.293 0.000 -2.573) 5.005 14.061 ( -3.751 0.000 5.602) 6.742 14.125 ( -2.248 0.000 0.446) 2.292 14.515 ( 8.855 0.000 3.345) 9.466 14.527 ( 4.638 0.000 2.534) 5.285 14.584 ( 10.755 0.000 0.717) 10.779 14.644 ( -3.203 0.000 1.530) 3.550 14.723 ( 13.672 0.000 -1.198) 13.724 14.747 ( -4.972 0.000 2.789) 5.701 14.768 ( 7.876 0.000 0.360) 7.884 14.945 ( 6.868 0.000 -3.865) 7.880 15.043 ( -7.516 0.000 1.962) 7.768 15.113 ( -2.721 0.000 -0.186) 2.727 15.192 ( -1.119 0.000 -3.586) 3.757 15.232 ( 2.863 0.000 1.383) 3.179 15.288 ( -8.382 0.000 -2.008) 8.619 15.305 ( -1.891 0.000 6.683) 6.945 15.640 ( 5.459 0.000 -10.025) 11.415 15.758 ( -1.783 0.000 -3.858) 4.250 21.721 ( 0.260 0.000 2.830) 2.842 21.730 ( 0.072 0.000 2.973) 2.974 21.774 ( -0.405 0.000 4.407) 4.426 21.833 ( -5.342 0.000 9.540) 10.933 21.930 ( 3.885 0.000 -2.237) 4.483 22.062 ( 0.620 0.000 -4.206) 4.252 22.111 ( -0.986 0.000 -2.341) 2.541 22.264 ( -5.158 0.000 -2.932) 5.933 22.286 ( 1.899 0.000 0.747) 2.040 22.418 ( -1.470 0.000 -2.989) 3.331 22.457 ( -6.543 0.000 0.374) 6.553 22.502 ( -5.391 0.000 0.311) 5.400 22.512 ( 5.866 0.000 1.876) 6.159 22.642 ( 0.480 0.000 -1.209) 1.301 22.721 ( -3.781 0.000 1.757) 4.169 22.787 ( -7.540 0.000 -0.778) 7.580 23.247 ( 5.007 0.000 0.210) 5.011 23.318 ( 3.712 0.000 1.320) 3.939 23.357 ( 10.066 0.000 -1.710) 10.210 23.387 ( 4.422 0.000 5.099) 6.750 23.471 ( 1.783 0.000 4.670) 4.999 23.640 ( -4.417 0.000 -4.202) 6.096 23.819 ( 6.191 0.000 -6.678) 9.107 23.924 ( -0.567 0.000 -5.727) 5.755 25.056 ( 5.495 0.000 3.324) 6.422 25.255 ( -2.457 0.000 1.672) 2.972 25.261 ( 4.370 0.000 -0.131) 4.372 25.325 ( 6.268 0.000 -3.091) 6.989 25.442 ( 2.241 0.000 2.855) 3.630 25.686 ( 3.067 0.000 -8.436) 8.976 25.770 ( -0.696 0.000 -4.795) 4.846 25.818 ( -10.804 0.000 -2.711) 11.139 26.808 ( 3.282 0.000 5.124) 6.084 26.930 ( -1.622 0.000 8.520) 8.673 26.976 ( -3.706 0.000 8.586) 9.352 27.001 ( 3.340 0.000 -1.223) 3.557 27.109 ( -5.360 0.000 4.049) 6.717 27.191 ( -5.984 0.000 -0.273) 5.990 27.380 ( -0.001 0.000 -3.107) 3.107 27.401 ( -1.218 0.000 -2.260) 2.567 28.364 ( 4.724 0.000 0.640) 4.767 28.471 ( 1.467 0.000 -1.782) 2.308 28.537 ( -4.019 0.000 1.966) 4.474 28.554 ( -2.623 0.000 1.847) 3.208 29.065 ( 9.646 0.000 -0.767) 9.676 29.400 ( 8.974 0.000 -14.024) 16.649 29.471 ( -10.578 0.000 -1.596) 10.698 29.630 ( -4.504 0.000 -5.226) 6.899 30.782 ( 2.323 0.000 0.939) 2.506 30.864 ( 2.652 0.000 -0.909) 2.803 30.875 ( -2.280 0.000 1.475) 2.716 30.907 ( 2.223 0.000 1.559) 2.716 30.988 ( -2.246 0.000 0.030) 2.247 31.070 ( 4.894 0.000 -1.042) 5.003 31.079 ( -6.978 0.000 7.825) 10.485 31.287 ( -5.978 0.000 -0.582) 6.007 39.612 ( 1.573 0.000 0.279) 1.597 39.642 ( 1.866 0.000 -0.361) 1.901 39.672 ( -1.372 0.000 0.339) 1.413 39.718 ( -1.717 0.000 -0.770) 1.882 39.747 ( 1.134 0.000 1.221) 1.666 39.771 ( 0.985 0.000 0.371) 1.053 39.817 ( -1.940 0.000 -0.009) 1.940 39.831 ( -1.816 0.000 -0.275) 1.836 70.526 ( 29.990 0.000 0.188) 29.991 70.549 ( 28.277 0.000 0.677) 28.285 70.962 ( 27.296 0.000 3.554) 27.527 71.640 ( -25.590 0.000 2.900) 25.754 71.665 ( -26.551 0.000 -0.235) 26.552 71.905 ( -19.288 0.000 5.585) 20.080 72.540 ( 29.336 0.000 -50.131) 58.084 73.038 ( -5.301 0.000 -17.893) 18.661 105.123 ( 0.999 0.000 0.360) 1.062 105.157 ( 0.008 0.000 1.022) 1.022 105.168 ( 0.653 0.000 -0.311) 0.723 105.195 ( -0.441 0.000 0.097) 0.451 105.208 ( -0.031 0.000 -0.170) 0.173 105.216 ( 1.003 0.000 -0.508) 1.125 105.244 ( -1.067 0.000 0.174) 1.081 105.270 ( -1.456 0.000 -0.521) 1.546 ======================= Grid point 38 (16/36) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -18.483 0.000 13.602) 22.948 1.807 ( 18.483 0.000 13.602) 22.948 1.976 ( -21.954 0.000 4.934) 22.501 1.976 ( 21.954 0.000 4.934) 22.501 2.420 ( -7.406 0.000 4.010) 8.422 2.420 ( 7.406 0.000 4.010) 8.422 2.539 ( -6.203 0.000 -0.919) 6.271 2.539 ( 6.203 0.000 -0.919) 6.271 2.734 ( -5.345 0.000 6.375) 8.319 2.734 ( 5.345 0.000 6.375) 8.319 2.890 ( -1.323 0.000 10.828) 10.909 2.890 ( 1.323 0.000 10.828) 10.909 3.273 ( -6.022 0.000 8.020) 10.029 3.273 ( 6.022 0.000 8.020) 10.029 3.275 ( -4.957 0.000 -4.177) 6.483 3.275 ( 4.957 0.000 -4.177) 6.483 3.555 ( -7.221 0.000 5.068) 8.822 3.555 ( 7.221 0.000 5.068) 8.822 3.787 ( -8.026 0.000 -10.795) 13.451 3.787 ( 8.026 0.000 -10.795) 13.451 3.912 ( -14.785 0.000 -4.396) 15.425 3.912 ( 14.785 0.000 -4.396) 15.425 4.198 ( -15.816 0.000 -0.871) 15.840 4.198 ( 15.816 0.000 -0.871) 15.840 4.337 ( -19.519 0.000 -5.134) 20.182 4.337 ( 19.519 0.000 -5.134) 20.182 4.392 ( -5.516 0.000 -14.337) 15.361 4.392 ( 5.516 0.000 -14.337) 15.361 4.636 ( -8.910 0.000 -4.234) 9.865 4.636 ( 8.910 0.000 -4.234) 9.865 4.701 ( -8.054 0.000 -5.734) 9.887 4.701 ( 8.054 0.000 -5.734) 9.887 4.843 ( -4.010 0.000 3.863) 5.568 4.843 ( 4.010 0.000 3.863) 5.568 5.036 ( -14.635 0.000 0.380) 14.640 5.036 ( 14.635 0.000 0.380) 14.640 5.041 ( -14.939 0.000 -7.630) 16.775 5.041 ( 14.939 0.000 -7.630) 16.775 5.196 ( -8.634 0.000 5.833) 10.419 5.196 ( 8.634 0.000 5.833) 10.419 5.302 ( -1.516 0.000 3.941) 4.222 5.302 ( 1.516 0.000 3.941) 4.222 5.467 ( -7.669 0.000 6.113) 9.807 5.467 ( 7.669 0.000 6.113) 9.807 5.629 ( -2.380 0.000 0.197) 2.388 5.629 ( 2.380 0.000 0.197) 2.388 5.652 ( -11.375 0.000 1.191) 11.438 5.652 ( 11.375 0.000 1.191) 11.438 5.910 ( -1.925 0.000 -1.735) 2.592 5.910 ( 1.925 0.000 -1.735) 2.592 6.090 ( -11.053 0.000 -2.568) 11.348 6.090 ( 11.053 0.000 -2.568) 11.348 6.131 ( -7.354 0.000 3.766) 8.262 6.131 ( 7.354 0.000 3.766) 8.262 6.220 ( -5.842 0.000 4.254) 7.227 6.220 ( 5.842 0.000 4.254) 7.227 6.441 ( -12.592 0.000 -3.143) 12.979 6.441 ( 12.592 0.000 -3.143) 12.979 6.696 ( -5.066 0.000 -5.728) 7.647 6.696 ( 5.066 0.000 -5.728) 7.647 6.716 ( -5.628 0.000 -1.370) 5.793 6.716 ( 5.628 0.000 -1.370) 5.793 6.781 ( -6.075 0.000 3.116) 6.828 6.781 ( 6.075 0.000 3.116) 6.828 6.940 ( -2.114 0.000 -12.412) 12.591 6.940 ( 2.114 0.000 -12.412) 12.591 7.117 ( -1.358 0.000 7.395) 7.518 7.117 ( 1.358 0.000 7.395) 7.518 7.290 ( -7.032 0.000 2.210) 7.371 7.290 ( 7.032 0.000 2.210) 7.371 7.423 ( -4.608 0.000 2.105) 5.066 7.423 ( 4.608 0.000 2.105) 5.066 7.604 ( -1.966 0.000 -4.096) 4.543 7.604 ( 1.966 0.000 -4.096) 4.543 7.639 ( -2.023 0.000 1.277) 2.392 7.639 ( 2.023 0.000 1.277) 2.392 7.895 ( -4.148 0.000 -5.454) 6.852 7.895 ( 4.148 0.000 -5.454) 6.852 7.942 ( -3.924 0.000 -2.185) 4.491 7.942 ( 3.924 0.000 -2.185) 4.491 8.171 ( -7.172 0.000 6.388) 9.605 8.171 ( 7.172 0.000 6.388) 9.605 8.316 ( -5.142 0.000 -0.678) 5.186 8.316 ( 5.142 0.000 -0.678) 5.186 8.560 ( -5.201 0.000 -0.269) 5.208 8.560 ( 5.201 0.000 -0.269) 5.208 8.704 ( -5.416 0.000 -1.565) 5.638 8.704 ( 5.416 0.000 -1.565) 5.638 8.800 ( -2.988 0.000 0.017) 2.988 8.800 ( 2.988 0.000 0.017) 2.988 8.952 ( -2.714 0.000 -0.718) 2.808 8.952 ( 2.714 0.000 -0.718) 2.808 9.124 ( -11.852 0.000 7.884) 14.235 9.124 ( 11.852 0.000 7.884) 14.235 9.457 ( -1.151 0.000 2.818) 3.044 9.457 ( 1.151 0.000 2.818) 3.044 9.485 ( -2.570 0.000 -5.466) 6.040 9.485 ( 2.570 0.000 -5.466) 6.040 9.604 ( -2.715 0.000 3.471) 4.407 9.604 ( 2.715 0.000 3.471) 4.407 9.742 ( -2.937 0.000 5.361) 6.112 9.742 ( 2.937 0.000 5.361) 6.112 9.818 ( -4.744 0.000 -4.796) 6.746 9.818 ( 4.744 0.000 -4.796) 6.746 9.991 ( -5.970 0.000 -0.963) 6.047 9.991 ( 5.970 0.000 -0.963) 6.047 10.191 ( -6.139 0.000 -2.750) 6.727 10.191 ( 6.139 0.000 -2.750) 6.727 10.316 ( -7.113 0.000 4.337) 8.331 10.316 ( 7.113 0.000 4.337) 8.331 10.396 ( -5.932 0.000 0.581) 5.960 10.396 ( 5.932 0.000 0.581) 5.960 10.641 ( -3.842 0.000 0.083) 3.843 10.641 ( 3.842 0.000 0.083) 3.843 10.871 ( -1.501 0.000 -4.227) 4.486 10.871 ( 1.501 0.000 -4.227) 4.486 11.097 ( -6.932 0.000 1.739) 7.147 11.097 ( 6.932 0.000 1.739) 7.147 11.178 ( -9.092 0.000 -3.954) 9.914 11.178 ( 9.092 0.000 -3.954) 9.914 11.553 ( -4.978 0.000 2.901) 5.762 11.553 ( 4.978 0.000 2.901) 5.762 11.609 ( -2.626 0.000 6.016) 6.564 11.609 ( 2.626 0.000 6.016) 6.564 11.884 ( -4.842 0.000 3.465) 5.954 11.884 ( 4.842 0.000 3.465) 5.954 11.886 ( -9.731 0.000 1.078) 9.791 11.886 ( 9.731 0.000 1.078) 9.791 12.046 ( -1.893 0.000 0.515) 1.962 12.046 ( 1.893 0.000 0.515) 1.962 12.273 ( -6.034 0.000 -0.441) 6.050 12.273 ( 6.034 0.000 -0.441) 6.050 12.562 ( -11.525 0.000 -4.087) 12.228 12.562 ( 11.525 0.000 -4.087) 12.228 12.821 ( -4.534 0.000 -14.684) 15.368 12.821 ( 4.534 0.000 -14.684) 15.368 13.658 ( -2.731 0.000 4.578) 5.331 13.658 ( 2.731 0.000 4.578) 5.331 13.798 ( -2.449 0.000 -0.302) 2.468 13.798 ( 2.449 0.000 -0.302) 2.468 13.985 ( -4.351 0.000 4.846) 6.513 13.985 ( 4.351 0.000 4.846) 6.513 14.056 ( -4.635 0.000 -1.360) 4.830 14.056 ( 4.635 0.000 -1.360) 4.830 14.585 ( -2.948 0.000 2.015) 3.571 14.585 ( 2.948 0.000 2.015) 3.571 14.634 ( -5.370 0.000 3.666) 6.502 14.634 ( 5.370 0.000 3.666) 6.502 14.822 ( -10.454 0.000 1.261) 10.530 14.822 ( 10.454 0.000 1.261) 10.530 14.962 ( -8.185 0.000 0.027) 8.186 14.962 ( 8.185 0.000 0.027) 8.186 14.985 ( -8.966 0.000 2.118) 9.213 14.985 ( 8.966 0.000 2.118) 9.213 15.170 ( -1.266 0.000 -3.966) 4.163 15.170 ( 1.266 0.000 -3.966) 4.163 15.281 ( -1.910 0.000 2.516) 3.159 15.281 ( 1.910 0.000 2.516) 3.159 15.714 ( -3.016 0.000 -6.226) 6.918 15.714 ( 3.016 0.000 -6.226) 6.918 21.728 ( -0.335 0.000 3.394) 3.411 21.728 ( 0.335 0.000 3.394) 3.411 21.779 ( -1.206 0.000 5.287) 5.423 21.779 ( 1.206 0.000 5.287) 5.423 22.007 ( -4.243 0.000 -2.403) 4.876 22.007 ( 4.243 0.000 -2.403) 4.876 22.169 ( -4.840 0.000 -4.034) 6.301 22.169 ( 4.840 0.000 -4.034) 6.301 22.347 ( -4.769 0.000 0.455) 4.791 22.347 ( 4.769 0.000 0.455) 4.791 22.428 ( -2.436 0.000 -1.278) 2.751 22.428 ( 2.436 0.000 -1.278) 2.751 22.643 ( -7.758 0.000 0.486) 7.774 22.643 ( 7.758 0.000 0.486) 7.774 22.665 ( -2.154 0.000 0.589) 2.233 22.665 ( 2.154 0.000 0.589) 2.233 23.321 ( -2.481 0.000 0.843) 2.620 23.321 ( 2.481 0.000 0.843) 2.620 23.463 ( -2.693 0.000 4.740) 5.452 23.463 ( 2.693 0.000 4.740) 5.452 23.526 ( -7.866 0.000 -2.661) 8.304 23.526 ( 7.866 0.000 -2.661) 8.304 23.896 ( -2.575 0.000 -5.484) 6.059 23.896 ( 2.575 0.000 -5.484) 6.059 25.165 ( -6.044 0.000 3.657) 7.065 25.165 ( 6.044 0.000 3.657) 7.065 25.334 ( -3.148 0.000 -0.135) 3.150 25.334 ( 3.148 0.000 -0.135) 3.150 25.599 ( -12.105 0.000 -1.393) 12.185 25.599 ( 12.105 0.000 -1.393) 12.185 25.741 ( -2.417 0.000 -7.175) 7.571 25.741 ( 2.417 0.000 -7.175) 7.571 26.870 ( -3.862 0.000 7.384) 8.333 26.870 ( 3.862 0.000 7.384) 8.333 27.009 ( -5.065 0.000 4.984) 7.106 27.009 ( 5.065 0.000 4.984) 7.106 27.083 ( -5.413 0.000 -0.492) 5.435 27.083 ( 5.413 0.000 -0.492) 5.435 27.384 ( -0.575 0.000 -2.956) 3.011 27.384 ( 0.575 0.000 -2.956) 3.011 28.454 ( -4.870 0.000 1.066) 4.985 28.454 ( 4.870 0.000 1.066) 4.985 28.507 ( -2.377 0.000 0.053) 2.377 28.507 ( 2.377 0.000 0.053) 2.377 29.263 ( -11.489 0.000 -0.844) 11.520 29.263 ( 11.489 0.000 -0.844) 11.520 29.533 ( -6.041 0.000 -8.625) 10.530 29.533 ( 6.041 0.000 -8.625) 10.530 30.829 ( -2.609 0.000 1.168) 2.859 30.829 ( 2.609 0.000 1.168) 2.859 30.914 ( -2.243 0.000 -0.681) 2.344 30.914 ( 2.243 0.000 -0.681) 2.344 30.987 ( -3.161 0.000 4.178) 5.239 30.987 ( 3.161 0.000 4.178) 5.239 31.173 ( -6.121 0.000 -1.008) 6.203 31.173 ( 6.121 0.000 -1.008) 6.203 39.643 ( -1.721 0.000 0.315) 1.749 39.643 ( 1.721 0.000 0.315) 1.749 39.681 ( -2.185 0.000 -0.502) 2.242 39.681 ( 2.185 0.000 -0.502) 2.242 39.778 ( -2.082 0.000 0.488) 2.139 39.778 ( 2.082 0.000 0.488) 2.139 39.797 ( -1.708 0.000 -0.009) 1.708 39.797 ( 1.708 0.000 -0.009) 1.708 71.105 ( -30.362 0.000 1.668) 30.408 71.105 ( 30.362 0.000 1.668) 30.408 71.113 ( -32.275 0.000 -0.040) 32.275 71.113 ( 32.275 0.000 -0.040) 32.275 71.477 ( -26.150 0.000 5.681) 26.760 71.477 ( 26.150 0.000 5.681) 26.760 72.889 ( -11.788 0.000 -29.039) 31.341 72.889 ( 11.788 0.000 -29.039) 31.341 105.143 ( -1.097 0.000 0.817) 1.368 105.143 ( 1.097 0.000 0.817) 1.368 105.182 ( -0.793 0.000 -0.068) 0.796 105.182 ( 0.793 0.000 -0.068) 0.796 105.223 ( -1.189 0.000 -0.160) 1.200 105.223 ( 1.189 0.000 -0.160) 1.200 105.242 ( -1.569 0.000 -0.541) 1.659 105.242 ( 1.569 0.000 -0.541) 1.659 ======================= Grid point 42 (17/36) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 0.000 26.961 24.628) 36.516 1.180 ( 0.000 26.506 29.654) 39.774 1.874 ( 0.000 47.423 39.361) 61.630 2.490 ( 0.000 -11.830 1.541) 11.930 2.561 ( 0.000 1.199 -3.756) 3.943 2.647 ( 0.000 -9.047 1.212) 9.128 2.697 ( 0.000 -3.516 6.006) 6.959 2.792 ( 0.000 2.451 3.715) 4.451 2.844 ( 0.000 -0.560 -6.086) 6.112 2.973 ( 0.000 2.926 2.880) 4.106 3.035 ( 0.000 -6.117 3.370) 6.984 3.040 ( 0.000 0.648 -11.540) 11.558 3.230 ( 0.000 0.308 -6.615) 6.622 3.242 ( 0.000 2.815 0.163) 2.819 3.428 ( 0.000 -0.581 -4.625) 4.662 3.532 ( 0.000 -0.404 -2.863) 2.892 3.609 ( 0.000 3.901 4.914) 6.274 3.662 ( 0.000 -2.882 -4.898) 5.683 3.728 ( 0.000 -0.431 3.576) 3.602 3.779 ( 0.000 -0.822 3.523) 3.618 3.896 ( 0.000 3.092 2.620) 4.053 3.903 ( 0.000 1.778 3.759) 4.158 3.958 ( 0.000 -2.195 3.878) 4.456 4.034 ( 0.000 8.273 4.166) 9.263 4.084 ( 0.000 -3.359 0.999) 3.504 4.091 ( 0.000 -4.892 9.139) 10.366 4.249 ( 0.000 1.569 -4.220) 4.502 4.293 ( 0.000 5.192 -3.738) 6.397 4.382 ( 0.000 5.574 -0.782) 5.629 4.451 ( 0.000 -1.904 -4.047) 4.472 4.577 ( 0.000 1.324 0.607) 1.457 4.615 ( 0.000 -10.811 -1.351) 10.895 4.807 ( 0.000 -1.751 -7.537) 7.738 4.821 ( 0.000 -5.789 -2.355) 6.250 4.858 ( 0.000 -6.265 2.278) 6.666 5.004 ( 0.000 -1.924 -2.041) 2.805 5.036 ( 0.000 -1.509 -1.777) 2.331 5.177 ( 0.000 5.577 4.108) 6.927 5.218 ( 0.000 3.378 -5.553) 6.499 5.292 ( 0.000 -8.198 4.198) 9.210 5.368 ( 0.000 -0.370 -1.372) 1.421 5.381 ( 0.000 3.066 -4.188) 5.190 5.399 ( 0.000 1.191 4.483) 4.638 5.515 ( 0.000 -1.384 -1.721) 2.209 5.653 ( 0.000 0.913 -0.078) 0.916 5.665 ( 0.000 -3.332 0.876) 3.445 5.740 ( 0.000 -3.581 -8.239) 8.984 5.844 ( 0.000 -5.244 3.610) 6.367 5.920 ( 0.000 1.612 -0.825) 1.811 5.937 ( 0.000 -6.455 -3.832) 7.507 5.959 ( 0.000 -4.089 -6.990) 8.098 5.974 ( 0.000 -0.600 -5.582) 5.614 6.142 ( 0.000 -8.304 -3.160) 8.885 6.230 ( 0.000 2.341 0.573) 2.410 6.267 ( 0.000 6.725 -2.591) 7.207 6.324 ( 0.000 2.301 -9.442) 9.718 6.493 ( 0.000 -1.168 -0.402) 1.235 6.599 ( 0.000 8.084 2.288) 8.401 6.607 ( 0.000 -4.511 1.841) 4.872 6.697 ( 0.000 -2.959 2.479) 3.860 6.794 ( 0.000 2.744 0.666) 2.824 6.837 ( 0.000 -0.884 3.851) 3.951 6.881 ( 0.000 4.861 5.048) 7.007 6.883 ( 0.000 -1.065 1.001) 1.461 6.932 ( 0.000 -0.907 -0.333) 0.966 6.934 ( 0.000 -2.089 -11.964) 12.145 7.061 ( 0.000 2.898 -0.125) 2.900 7.280 ( 0.000 1.572 3.580) 3.910 7.295 ( 0.000 -0.136 -0.335) 0.362 7.344 ( 0.000 -2.922 0.766) 3.021 7.352 ( 0.000 2.582 -0.650) 2.663 7.407 ( 0.000 12.440 3.968) 13.058 7.533 ( 0.000 -2.046 -5.656) 6.015 7.564 ( 0.000 12.561 9.425) 15.704 7.618 ( 0.000 4.694 2.028) 5.113 7.787 ( 0.000 -9.247 1.628) 9.389 7.884 ( 0.000 -5.475 -2.778) 6.140 7.889 ( 0.000 -5.973 -1.312) 6.115 7.970 ( 0.000 1.432 -5.513) 5.696 7.987 ( 0.000 -0.545 4.143) 4.178 8.123 ( 0.000 -0.210 3.597) 3.604 8.254 ( 0.000 5.792 0.446) 5.809 8.319 ( 0.000 -0.827 3.959) 4.045 8.424 ( 0.000 8.462 -0.591) 8.482 8.439 ( 0.000 -7.546 -1.886) 7.778 8.533 ( 0.000 1.622 2.035) 2.603 8.559 ( 0.000 -8.826 6.170) 10.769 8.705 ( 0.000 -9.618 -6.618) 11.675 8.726 ( 0.000 1.699 -1.340) 2.164 8.822 ( 0.000 -3.307 -3.126) 4.551 8.844 ( 0.000 -2.400 0.326) 2.422 8.992 ( 0.000 -1.794 -7.471) 7.684 9.176 ( 0.000 1.529 1.221) 1.956 9.270 ( 0.000 -1.458 1.782) 2.302 9.305 ( 0.000 -3.798 -7.196) 8.136 9.357 ( 0.000 -0.757 -1.270) 1.478 9.536 ( 0.000 2.474 1.695) 2.999 9.567 ( 0.000 0.740 6.233) 6.277 9.615 ( 0.000 2.800 -0.390) 2.827 9.681 ( 0.000 1.612 -2.818) 3.246 9.695 ( 0.000 -3.510 3.572) 5.008 9.717 ( 0.000 -1.836 7.682) 7.898 9.760 ( 0.000 4.068 -0.316) 4.080 9.832 ( 0.000 -2.785 3.540) 4.504 9.959 ( 0.000 -0.665 2.148) 2.248 10.082 ( 0.000 -1.893 -5.010) 5.356 10.119 ( 0.000 0.850 -0.568) 1.022 10.174 ( 0.000 0.175 -2.670) 2.676 10.284 ( 0.000 -1.102 1.680) 2.009 10.285 ( 0.000 -1.578 1.070) 1.906 10.327 ( 0.000 3.394 3.692) 5.015 10.362 ( 0.000 3.198 1.850) 3.695 10.653 ( 0.000 1.454 4.603) 4.827 10.690 ( 0.000 4.262 -4.017) 5.856 10.844 ( 0.000 5.784 -0.619) 5.817 10.885 ( 0.000 8.701 -3.025) 9.212 10.935 ( 0.000 1.264 -3.474) 3.697 11.144 ( 0.000 5.936 -4.741) 7.597 11.266 ( 0.000 -8.624 -1.807) 8.811 11.409 ( 0.000 -6.229 -6.362) 8.904 11.488 ( 0.000 -0.416 2.406) 2.442 11.616 ( 0.000 2.316 -4.937) 5.453 11.635 ( 0.000 -1.498 1.863) 2.390 11.672 ( 0.000 3.154 -0.899) 3.280 11.746 ( 0.000 6.149 -0.658) 6.184 11.787 ( 0.000 2.207 -1.867) 2.891 11.978 ( 0.000 -2.052 7.054) 7.347 12.072 ( 0.000 -3.603 -2.339) 4.296 12.073 ( 0.000 5.692 8.216) 9.995 12.110 ( 0.000 4.147 3.806) 5.629 12.345 ( 0.000 2.960 -3.459) 4.553 12.420 ( 0.000 -0.776 -0.887) 1.178 12.508 ( 0.000 -12.721 -12.656) 17.944 12.618 ( 0.000 2.932 -0.587) 2.990 12.735 ( 0.000 -2.113 -0.412) 2.153 12.955 ( 0.000 -12.067 -3.248) 12.496 13.671 ( 0.000 -3.409 5.516) 6.484 13.714 ( 0.000 -0.372 0.367) 0.523 13.820 ( 0.000 -1.895 6.774) 7.034 13.855 ( 0.000 -1.098 -0.959) 1.457 13.956 ( 0.000 1.988 -5.232) 5.598 13.982 ( 0.000 0.735 -1.793) 1.938 14.019 ( 0.000 3.978 -1.018) 4.106 14.035 ( 0.000 -0.648 -1.439) 1.578 14.176 ( 0.000 2.904 1.032) 3.082 14.275 ( 0.000 5.713 -2.825) 6.373 14.406 ( 0.000 -3.382 4.017) 5.251 14.452 ( 0.000 -1.016 2.139) 2.368 14.688 ( 0.000 7.024 -0.815) 7.071 14.777 ( 0.000 -0.011 2.219) 2.219 14.778 ( 0.000 0.744 -2.528) 2.635 14.882 ( 0.000 -1.236 -1.676) 2.082 14.958 ( 0.000 -3.176 2.025) 3.766 15.001 ( 0.000 -2.045 0.502) 2.105 15.102 ( 0.000 -7.045 -0.830) 7.094 15.168 ( 0.000 -0.909 -5.591) 5.664 15.399 ( 0.000 0.664 8.865) 8.890 15.419 ( 0.000 3.626 7.360) 8.205 15.577 ( 0.000 8.474 0.102) 8.475 15.797 ( 0.000 0.501 -1.490) 1.572 21.723 ( 0.000 0.563 3.246) 3.295 21.728 ( 0.000 0.255 0.814) 0.853 21.788 ( 0.000 -0.455 5.122) 5.142 21.860 ( 0.000 0.888 -1.945) 2.138 21.994 ( 0.000 -0.979 -3.160) 3.308 22.086 ( 0.000 -16.107 15.111) 22.085 22.206 ( 0.000 1.728 -2.910) 3.385 22.297 ( 0.000 -0.008 2.595) 2.595 22.342 ( 0.000 -2.409 1.874) 3.052 22.346 ( 0.000 -2.207 0.200) 2.216 22.612 ( 0.000 -0.562 -6.093) 6.119 22.614 ( 0.000 -1.066 -3.979) 4.119 22.724 ( 0.000 2.060 1.847) 2.767 22.821 ( 0.000 -1.102 2.666) 2.885 22.841 ( 0.000 4.924 -0.227) 4.929 22.912 ( 0.000 1.430 0.770) 1.624 23.099 ( 0.000 0.126 -0.309) 0.334 23.109 ( 0.000 -0.920 -0.645) 1.124 23.115 ( 0.000 -0.088 -0.473) 0.481 23.154 ( 0.000 -1.557 -0.158) 1.565 23.304 ( 0.000 1.402 6.567) 6.715 23.373 ( 0.000 0.217 2.715) 2.724 23.743 ( 0.000 2.068 -5.125) 5.527 23.901 ( 0.000 -1.770 -6.884) 7.108 24.951 ( 0.000 0.775 3.152) 3.246 25.005 ( 0.000 -0.298 2.165) 2.186 25.154 ( 0.000 1.031 -1.385) 1.727 25.201 ( 0.000 1.528 -3.275) 3.614 25.438 ( 0.000 0.128 3.568) 3.571 25.601 ( 0.000 -7.758 9.786) 12.488 25.771 ( 0.000 3.848 -3.929) 5.499 26.013 ( 0.000 -2.345 -3.289) 4.039 26.724 ( 0.000 0.436 3.185) 3.214 26.907 ( 0.000 -14.765 14.653) 20.802 26.962 ( 0.000 1.660 -2.113) 2.687 27.085 ( 0.000 0.097 4.133) 4.134 27.124 ( 0.000 -0.401 3.732) 3.754 27.335 ( 0.000 -9.036 -0.803) 9.072 27.366 ( 0.000 2.448 -1.856) 3.072 27.562 ( 0.000 -0.660 -5.030) 5.073 28.307 ( 0.000 4.272 1.649) 4.579 28.565 ( 0.000 3.627 -2.436) 4.369 28.624 ( 0.000 -3.588 2.473) 4.358 28.728 ( 0.000 15.044 0.434) 15.051 28.834 ( 0.000 -3.407 -1.421) 3.691 29.197 ( 0.000 21.728 -20.059) 29.571 29.628 ( 0.000 -8.884 -2.757) 9.302 29.677 ( 0.000 -2.570 -4.018) 4.770 30.747 ( 0.000 1.324 0.658) 1.478 30.825 ( 0.000 1.544 -0.838) 1.757 30.840 ( 0.000 -1.113 1.165) 1.611 30.930 ( 0.000 0.816 1.396) 1.617 30.961 ( 0.000 -1.039 0.373) 1.104 31.079 ( 0.000 3.720 -0.492) 3.753 31.266 ( 0.000 -13.416 9.840) 16.638 31.381 ( 0.000 -3.901 0.235) 3.908 39.590 ( 0.000 1.114 0.279) 1.148 39.618 ( 0.000 1.293 -0.310) 1.329 39.694 ( 0.000 -1.703 0.709) 1.845 39.709 ( 0.000 -0.528 0.128) 0.543 39.740 ( 0.000 -0.519 1.259) 1.361 39.809 ( 0.000 -1.423 0.696) 1.585 39.880 ( 0.000 3.259 -4.347) 5.433 39.884 ( 0.000 0.999 -0.984) 1.402 69.928 ( 0.000 3.662 0.877) 3.766 70.183 ( 0.000 13.172 -12.593) 18.223 70.236 ( 0.000 -4.805 0.692) 4.855 70.373 ( 0.000 1.320 -2.469) 2.799 72.125 ( 0.000 -2.356 2.172) 3.205 72.185 ( 0.000 -1.734 8.242) 8.423 72.371 ( 0.000 10.576 -3.110) 11.024 73.040 ( 0.000 -7.833 -10.224) 12.880 105.104 ( 0.000 0.181 0.636) 0.662 105.114 ( 0.000 -0.098 0.690) 0.697 105.156 ( 0.000 0.056 -0.278) 0.284 105.182 ( 0.000 -1.463 1.304) 1.959 105.195 ( 0.000 0.999 -0.280) 1.038 105.258 ( 0.000 -0.649 0.258) 0.698 105.297 ( 0.000 1.363 -2.225) 2.610 105.302 ( 0.000 0.119 -0.706) 0.716 ======================= Grid point 43 (18/36) ======================= q-point: ( 0.17 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 12.320 21.425 21.155) 32.533 1.333 ( 15.090 23.067 24.820) 37.093 2.097 ( 19.163 34.698 30.022) 49.725 2.375 ( -10.242 -4.515 6.745) 13.068 2.468 ( -9.909 -8.628 -0.936) 13.172 2.587 ( 0.229 4.062 -0.183) 4.073 2.691 ( -3.349 -2.410 5.048) 6.520 2.786 ( -1.033 3.567 3.256) 4.939 2.799 ( -4.805 -2.823 0.505) 5.596 2.842 ( -9.221 1.642 -1.138) 9.435 3.069 ( -1.879 1.324 -9.335) 9.614 3.162 ( -1.764 -1.398 0.148) 2.256 3.179 ( 1.552 -2.347 -3.062) 4.158 3.322 ( 8.641 -4.273 -2.636) 9.994 3.413 ( -5.303 0.252 0.989) 5.401 3.425 ( -2.495 -3.947 -0.196) 4.674 3.513 ( -7.337 0.415 1.273) 7.458 3.667 ( -11.030 7.146 5.217) 14.140 3.709 ( -2.425 3.888 5.507) 7.164 3.736 ( -5.806 2.281 1.436) 6.401 3.760 ( 4.318 -0.651 1.314) 4.560 3.900 ( 5.402 1.468 -2.268) 6.040 3.978 ( 6.276 -2.407 -5.886) 8.934 4.123 ( -1.925 -1.447 -4.196) 4.838 4.173 ( 10.566 0.541 -2.085) 10.783 4.228 ( 5.256 0.444 2.999) 6.068 4.299 ( 3.253 0.563 -7.378) 8.083 4.339 ( 3.731 6.080 1.050) 7.210 4.457 ( 10.700 -0.044 -0.395) 10.707 4.493 ( 3.429 -3.888 -4.197) 6.670 4.533 ( 5.633 1.207 4.158) 7.105 4.737 ( 11.843 -2.326 2.268) 12.280 4.763 ( -5.068 -1.350 -5.739) 7.775 4.874 ( -0.537 -4.149 -0.123) 4.185 4.936 ( 3.518 -4.969 0.596) 6.117 4.994 ( 4.159 -0.919 -2.574) 4.977 5.075 ( -7.835 -0.173 -0.023) 7.837 5.128 ( 0.049 2.418 -1.199) 2.699 5.184 ( -2.507 1.844 -0.693) 3.188 5.248 ( -0.654 -1.779 -2.017) 2.768 5.356 ( 3.998 -4.271 3.043) 6.594 5.395 ( -3.947 -4.530 -1.922) 6.308 5.467 ( 2.697 -1.551 -1.420) 3.420 5.526 ( -0.621 -1.334 -2.375) 2.794 5.578 ( -5.520 -0.415 4.179) 6.936 5.640 ( -5.331 1.494 -3.902) 6.773 5.658 ( 0.192 -1.197 -6.308) 6.423 5.805 ( 1.743 -1.280 2.042) 2.975 5.819 ( -5.496 0.036 -1.718) 5.759 5.838 ( -7.149 2.522 -3.391) 8.305 5.967 ( -1.022 -9.555 -1.325) 9.700 6.032 ( -2.405 -3.279 1.874) 4.478 6.143 ( -2.383 -5.780 -0.096) 6.252 6.177 ( -5.430 6.031 1.794) 8.311 6.287 ( 5.702 1.454 -11.889) 13.265 6.368 ( 0.671 0.111 0.420) 0.799 6.444 ( -1.761 0.079 -2.556) 3.104 6.535 ( -3.873 4.065 1.869) 5.917 6.594 ( -2.923 -0.853 -0.657) 3.115 6.705 ( -1.585 1.939 2.786) 3.746 6.745 ( 0.547 -0.239 5.351) 5.385 6.833 ( -4.803 -1.348 -2.696) 5.670 6.843 ( -2.088 -1.668 -6.466) 6.996 6.958 ( 4.829 -1.953 -1.482) 5.416 6.970 ( 5.350 -1.025 -2.000) 5.803 7.087 ( 3.944 5.661 0.725) 6.938 7.108 ( 7.182 2.426 0.350) 7.588 7.265 ( 1.673 -0.454 1.882) 2.559 7.271 ( -4.532 1.363 -0.595) 4.770 7.313 ( -4.043 5.679 4.637) 8.372 7.347 ( 0.334 2.718 0.412) 2.769 7.399 ( 2.420 1.979 -0.338) 3.145 7.519 ( 0.470 0.467 -0.263) 0.713 7.624 ( 0.552 2.977 0.576) 3.082 7.685 ( 3.782 6.787 3.362) 8.466 7.750 ( -2.557 -8.194 -0.952) 8.636 7.774 ( -7.816 -3.951 -1.355) 8.862 7.896 ( -1.513 -2.927 -3.600) 4.880 7.915 ( -1.591 -2.333 2.282) 3.631 7.993 ( -0.417 2.042 -3.433) 4.016 8.119 ( -1.684 -3.805 6.235) 7.496 8.228 ( -1.560 2.476 -0.494) 2.968 8.370 ( 0.878 -0.318 1.306) 1.605 8.407 ( 2.632 2.477 1.022) 3.756 8.442 ( 0.883 4.124 0.542) 4.252 8.476 ( -2.627 -7.239 2.781) 8.187 8.610 ( 4.478 0.318 6.651) 8.024 8.690 ( -1.050 -6.719 -5.577) 8.795 8.725 ( -1.600 0.728 2.675) 3.201 8.803 ( 1.208 0.063 1.994) 2.332 8.855 ( 0.935 -1.531 -4.003) 4.387 8.955 ( -2.577 -0.734 -4.877) 5.565 9.229 ( 2.579 -2.565 -3.486) 5.038 9.268 ( -2.358 -0.340 -5.142) 5.667 9.338 ( 2.503 -6.011 -1.296) 6.639 9.359 ( 2.467 -3.107 -3.916) 5.575 9.517 ( -2.100 2.476 3.528) 4.795 9.545 ( -1.721 0.976 5.585) 5.925 9.618 ( -2.438 1.382 -1.452) 3.156 9.698 ( 3.261 3.172 -2.872) 5.380 9.703 ( -1.845 -2.008 7.183) 7.683 9.712 ( 0.582 -0.797 3.697) 3.826 9.751 ( 0.183 3.330 0.758) 3.420 9.875 ( 2.719 -1.020 1.498) 3.268 9.924 ( -1.157 -1.935 3.401) 4.081 10.041 ( -3.092 -1.851 0.767) 3.685 10.101 ( -0.916 1.214 -6.580) 6.754 10.170 ( -0.507 -1.014 2.966) 3.175 10.225 ( -1.524 0.762 2.981) 3.433 10.300 ( 3.759 3.556 0.107) 5.176 10.375 ( 3.422 0.438 1.911) 3.944 10.491 ( 4.850 0.686 -1.096) 5.019 10.672 ( 1.304 2.622 1.912) 3.498 10.712 ( 1.603 5.882 -1.510) 6.281 10.853 ( 0.969 5.338 -1.512) 5.632 10.895 ( -0.598 10.498 -4.884) 11.594 10.925 ( -0.831 0.198 -0.467) 0.974 10.997 ( -3.869 2.870 2.666) 5.506 11.260 ( -4.188 -8.918 -0.520) 9.866 11.385 ( 0.402 -3.117 -5.199) 6.075 11.480 ( -2.673 2.289 -1.302) 3.752 11.580 ( 1.070 2.593 -2.002) 3.446 11.637 ( -0.518 -2.035 3.399) 3.995 11.699 ( -0.861 4.347 -0.001) 4.431 11.766 ( 2.546 2.105 -1.317) 3.557 11.817 ( 1.191 2.862 -0.575) 3.152 11.931 ( -1.165 -0.374 7.337) 7.439 12.031 ( -0.054 0.453 4.298) 4.322 12.122 ( 2.200 -0.394 3.290) 3.977 12.160 ( 0.726 -0.706 1.658) 1.942 12.264 ( -6.024 3.847 0.995) 7.216 12.442 ( -1.400 -1.000 -1.158) 2.074 12.513 ( -10.660 -2.484 -6.513) 12.736 12.527 ( -2.659 -8.107 -7.127) 11.117 12.676 ( 1.557 -8.745 -6.721) 11.139 12.889 ( -5.137 -8.240 -4.827) 10.843 13.620 ( -1.883 -0.398 5.022) 5.378 13.704 ( -0.413 -0.905 -1.140) 1.513 13.840 ( 0.131 -0.960 1.935) 2.164 13.868 ( 1.665 -0.920 3.358) 3.860 13.931 ( -1.149 4.265 -1.465) 4.654 14.004 ( -1.900 3.355 -1.483) 4.131 14.073 ( 1.383 -2.719 1.451) 3.378 14.093 ( 2.154 -2.424 2.120) 3.875 14.313 ( 12.625 0.197 -0.076) 12.626 14.341 ( 9.869 4.685 0.498) 10.936 14.453 ( 4.604 -2.041 2.666) 5.699 14.579 ( 8.176 -3.682 -3.372) 9.580 14.708 ( 0.090 6.710 -1.786) 6.944 14.739 ( -2.309 1.300 1.470) 3.030 14.793 ( 3.393 0.082 -0.623) 3.451 14.868 ( -2.371 2.032 -0.881) 3.245 14.978 ( 6.154 -3.943 -1.275) 7.420 15.074 ( 2.119 -5.953 -0.206) 6.322 15.137 ( 1.946 -2.752 -1.867) 3.853 15.186 ( 0.450 -1.187 -3.628) 3.844 15.375 ( -2.226 1.356 8.711) 9.092 15.479 ( 6.715 0.653 -0.417) 6.759 15.549 ( -2.559 8.397 -0.302) 8.784 15.788 ( -1.031 0.346 -1.991) 2.269 21.723 ( -0.011 0.438 2.676) 2.711 21.730 ( 0.143 0.301 1.853) 1.883 21.780 ( -0.767 -0.562 4.868) 4.960 21.873 ( 0.245 -0.912 0.560) 1.098 21.954 ( -7.353 -4.396 11.222) 14.118 22.016 ( 1.810 -0.985 -2.645) 3.353 22.181 ( -2.733 1.748 -2.756) 4.257 22.280 ( -0.384 0.597 1.401) 1.570 22.322 ( -2.533 -1.623 -1.333) 3.291 22.385 ( 3.563 -2.368 2.538) 4.974 22.512 ( -6.505 1.699 -4.171) 7.912 22.601 ( -4.536 -0.448 -2.023) 4.987 22.644 ( -5.227 2.684 0.029) 5.876 22.656 ( -6.780 1.983 1.327) 7.187 22.780 ( -3.964 -1.404 2.243) 4.766 22.872 ( -5.548 -2.604 -0.490) 6.148 23.156 ( 5.366 0.484 -0.234) 5.393 23.194 ( 7.648 -0.177 1.279) 7.756 23.205 ( 9.075 2.200 -1.023) 9.394 23.320 ( 3.780 -0.154 5.636) 6.788 23.405 ( 5.239 -0.313 3.419) 6.264 23.545 ( 16.769 -5.162 -7.411) 19.046 23.730 ( -1.305 2.173 -4.501) 5.166 23.904 ( 0.159 -2.030 -6.437) 6.752 24.983 ( 3.423 1.066 3.044) 4.703 25.117 ( 7.758 -3.821 -0.802) 8.685 25.201 ( 5.221 1.149 -1.809) 5.644 25.250 ( 4.785 1.577 -3.847) 6.339 25.434 ( -0.479 -0.199 3.666) 3.702 25.583 ( -0.723 -6.986 5.585) 8.973 25.776 ( 0.083 2.325 -3.751) 4.414 25.960 ( -5.632 -1.836 -3.276) 6.770 26.746 ( 2.260 -0.039 3.582) 4.235 26.890 ( -1.108 -9.705 13.392) 16.576 26.978 ( 1.709 1.867 -1.736) 3.069 27.035 ( -4.137 0.723 4.732) 6.327 27.121 ( -1.452 -2.293 3.394) 4.345 27.325 ( -2.492 -2.090 -1.754) 3.695 27.341 ( -1.278 -3.338 -0.883) 3.682 27.488 ( -5.677 2.064 -3.707) 7.087 28.340 ( 3.418 4.829 1.318) 6.061 28.539 ( -0.961 4.937 -2.322) 5.539 28.640 ( -0.378 1.682 2.960) 3.426 28.697 ( -2.801 9.476 0.497) 9.894 28.903 ( 6.356 -0.702 -1.162) 6.499 29.255 ( 5.174 8.680 -17.814) 20.480 29.596 ( -4.411 -6.430 -3.674) 8.620 29.622 ( -4.610 -5.108 -3.062) 7.531 30.760 ( 1.369 1.306 0.761) 2.039 30.840 ( 1.628 1.597 -0.857) 2.436 30.857 ( 1.671 -1.149 1.140) 2.327 30.920 ( -1.247 1.190 2.087) 2.707 30.982 ( 2.477 -1.616 -0.600) 3.018 31.061 ( -1.859 3.475 -0.493) 3.972 31.170 ( -7.670 -7.513 10.043) 14.702 31.346 ( -3.649 -3.636 -0.105) 5.152 39.599 ( 0.926 1.103 0.281) 1.467 39.627 ( 1.024 1.247 -0.324) 1.646 39.694 ( -0.120 -0.456 0.320) 0.570 39.708 ( 0.058 -0.879 0.383) 0.961 39.743 ( 0.347 -0.662 0.902) 1.171 39.789 ( -1.861 0.017 0.511) 1.930 39.850 ( -2.150 1.491 -1.717) 3.129 39.870 ( -1.567 0.763 -0.996) 2.008 70.101 ( 17.720 3.738 1.020) 18.139 70.199 ( 16.045 6.362 -0.384) 17.265 70.518 ( 18.830 -0.087 -1.023) 18.858 71.266 ( 65.452 -26.075 -38.014) 80.056 71.982 ( -14.710 -1.366 2.834) 15.043 72.080 ( -11.959 -1.242 7.053) 13.940 72.259 ( -11.815 9.986 -2.509) 15.672 73.009 ( -3.542 -9.396 -11.582) 15.329 105.110 ( 0.596 0.177 0.381) 0.729 105.131 ( 1.510 -0.519 0.508) 1.675 105.160 ( 0.380 0.045 -0.230) 0.447 105.180 ( -0.406 -1.220 1.717) 2.145 105.199 ( 0.550 0.796 -0.829) 1.274 105.252 ( -0.589 -0.450 0.112) 0.750 105.274 ( -1.848 1.630 -1.180) 2.732 105.293 ( -0.925 0.086 -0.685) 1.154 ======================= Grid point 44 (19/36) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 17.712 10.121 14.171) 24.839 1.666 ( 18.416 13.180 19.217) 29.701 2.206 ( -9.907 11.348 7.008) 16.615 2.235 ( -3.309 -10.233 8.412) 13.654 2.278 ( -7.829 2.381 5.985) 10.138 2.584 ( -5.962 -0.072 -1.152) 6.073 2.671 ( -5.297 2.481 2.025) 6.190 2.723 ( -0.980 7.162 2.582) 7.676 2.746 ( 1.596 0.996 6.987) 7.236 2.788 ( -7.523 -0.967 2.980) 8.149 2.921 ( 2.434 12.600 8.330) 15.300 3.029 ( -6.350 -0.814 1.346) 6.542 3.166 ( -6.772 -1.189 -1.889) 7.131 3.224 ( -3.144 -0.558 5.128) 6.041 3.329 ( -5.393 -0.726 -1.416) 5.623 3.479 ( 1.019 6.631 -0.367) 6.719 3.513 ( -0.812 0.572 1.924) 2.165 3.629 ( 4.493 0.442 -2.659) 5.240 3.638 ( 1.973 4.942 0.846) 5.388 3.762 ( 4.337 -8.354 0.299) 9.417 3.886 ( 5.018 1.950 -7.039) 8.861 3.939 ( 0.036 -4.836 -0.398) 4.853 4.067 ( -0.596 7.343 -5.352) 9.106 4.169 ( 10.830 3.179 -10.402) 15.349 4.189 ( 4.765 -6.142 -8.005) 11.159 4.363 ( 1.079 0.573 -0.962) 1.555 4.410 ( 6.958 -3.551 -0.656) 7.839 4.470 ( -0.585 0.118 -6.037) 6.066 4.541 ( 5.591 0.372 -5.253) 7.681 4.652 ( 5.979 -4.044 2.256) 7.563 4.678 ( -4.713 8.991 -1.735) 10.299 4.730 ( 6.569 1.638 0.094) 6.771 4.808 ( 1.474 2.162 -3.091) 4.050 4.879 ( 7.018 5.315 -0.823) 8.842 4.926 ( -1.273 1.599 1.603) 2.598 4.994 ( -3.953 0.607 -5.285) 6.628 5.025 ( 5.315 -5.150 6.745) 10.014 5.088 ( -1.663 0.562 -2.435) 3.002 5.193 ( -1.056 -6.168 3.293) 7.071 5.273 ( -1.632 -4.954 -0.637) 5.255 5.360 ( 0.456 3.532 -3.822) 5.224 5.376 ( -4.579 -1.408 4.016) 6.251 5.437 ( 2.897 0.542 -0.458) 2.982 5.464 ( -1.484 -2.979 5.422) 6.362 5.547 ( -4.595 2.740 -0.454) 5.369 5.582 ( -4.436 -0.496 -2.933) 5.341 5.677 ( 0.751 -1.595 -1.571) 2.362 5.788 ( 7.598 1.796 -0.889) 7.858 5.798 ( 0.665 -1.400 -3.239) 3.590 5.848 ( 1.906 -3.533 0.564) 4.054 5.921 ( -2.454 -8.035 -1.023) 8.463 6.009 ( 1.362 -5.760 -3.569) 6.912 6.064 ( -4.889 -10.563 4.525) 12.488 6.099 ( -1.245 8.888 2.041) 9.204 6.294 ( -6.161 -0.575 -0.154) 6.190 6.337 ( -2.057 -4.640 -1.555) 5.308 6.405 ( -5.887 0.430 0.885) 5.969 6.501 ( -2.487 -1.421 0.380) 2.890 6.615 ( 7.236 5.913 2.670) 9.719 6.644 ( -6.568 -5.827 -6.949) 11.198 6.715 ( 2.476 3.455 -4.390) 6.111 6.769 ( -6.924 -2.393 -7.134) 10.225 6.818 ( 2.336 0.255 3.130) 3.914 6.931 ( -6.239 7.632 -8.098) 12.757 7.073 ( -0.341 2.048 1.401) 2.505 7.121 ( -0.565 1.589 2.796) 3.265 7.150 ( 0.029 2.193 -0.427) 2.234 7.189 ( -1.610 0.804 4.600) 4.939 7.260 ( -1.477 7.346 3.747) 8.377 7.284 ( 2.258 2.277 6.390) 7.149 7.354 ( -1.259 -0.281 -0.696) 1.466 7.471 ( -3.682 0.046 2.420) 4.406 7.505 ( 5.480 -3.550 -4.685) 8.037 7.595 ( -3.811 -3.700 0.934) 5.393 7.645 ( 0.120 0.811 -1.271) 1.512 7.699 ( -1.510 -1.191 -3.193) 3.727 7.763 ( 0.436 -2.400 -2.340) 3.380 7.864 ( -5.382 -7.323 0.137) 9.089 7.882 ( 1.321 -2.218 -5.397) 5.983 8.025 ( 0.154 2.955 -3.714) 4.748 8.111 ( 4.910 2.383 7.251) 9.075 8.229 ( 1.945 0.436 -1.743) 2.647 8.338 ( -2.987 3.775 4.018) 6.270 8.392 ( -4.725 -1.207 1.122) 5.004 8.484 ( 4.555 -0.603 -0.565) 4.629 8.549 ( 6.869 -1.630 0.153) 7.061 8.657 ( -2.482 -3.950 -2.770) 5.425 8.695 ( 0.065 -0.536 2.916) 2.966 8.745 ( 5.945 0.221 1.502) 6.136 8.817 ( 0.598 3.104 3.358) 4.612 8.881 ( 0.777 -2.116 -1.763) 2.861 8.941 ( 0.312 -1.412 -2.200) 2.633 9.112 ( -4.558 3.254 0.660) 5.639 9.305 ( -4.001 -4.080 1.317) 5.864 9.357 ( 2.651 -5.152 -2.613) 6.356 9.416 ( 2.054 -4.471 -5.034) 7.039 9.507 ( -1.525 2.534 3.723) 4.755 9.519 ( 2.061 1.879 0.121) 2.792 9.569 ( -3.228 1.094 -0.839) 3.510 9.644 ( -3.659 -1.227 6.320) 7.405 9.730 ( 2.512 1.273 0.168) 2.821 9.750 ( 0.753 3.355 1.812) 3.887 9.773 ( 4.491 -0.279 0.732) 4.559 9.831 ( -3.101 1.330 4.860) 5.916 9.964 ( -1.801 -3.080 -3.189) 4.786 10.048 ( 1.853 -2.915 2.789) 4.440 10.093 ( 1.397 -2.338 1.178) 2.967 10.167 ( 0.755 2.235 -2.574) 3.491 10.243 ( 3.631 -0.639 2.498) 4.453 10.345 ( 0.158 5.183 -0.714) 5.235 10.428 ( 2.235 0.307 0.478) 2.306 10.515 ( -1.457 2.489 -0.202) 2.891 10.672 ( -0.450 8.003 0.396) 8.026 10.719 ( -0.990 4.267 1.091) 4.514 10.879 ( 2.031 5.004 -4.916) 7.304 10.891 ( 1.298 2.110 -1.218) 2.760 10.963 ( 3.563 -0.871 -0.702) 3.735 11.033 ( 5.445 -0.501 -0.096) 5.468 11.159 ( -5.938 -5.690 -0.585) 8.245 11.347 ( -7.375 -2.571 -8.860) 11.811 11.452 ( 2.179 1.831 4.767) 5.552 11.593 ( -2.344 -0.725 4.208) 4.872 11.623 ( 0.781 0.762 3.280) 3.457 11.712 ( -0.210 2.962 1.749) 3.447 11.772 ( 2.425 1.975 2.051) 3.740 11.851 ( 3.223 5.350 0.648) 6.279 11.919 ( -0.496 1.450 5.550) 5.758 12.046 ( -0.439 -2.485 2.151) 3.316 12.113 ( -7.420 3.360 0.624) 8.169 12.148 ( -4.306 -0.760 0.962) 4.477 12.225 ( 2.175 -0.862 -2.703) 3.575 12.266 ( -1.148 0.176 -0.069) 1.164 12.386 ( -3.660 -2.958 0.653) 4.751 12.585 ( -1.577 -13.121 -9.333) 16.178 12.649 ( 0.564 -8.727 -9.455) 12.879 12.813 ( -3.854 -7.543 -8.337) 11.885 13.614 ( 1.087 0.445 4.309) 4.466 13.699 ( -1.057 0.497 0.622) 1.323 13.831 ( -0.311 0.215 0.947) 1.019 13.897 ( -1.757 3.694 -0.273) 4.100 13.899 ( 1.132 -3.147 2.232) 4.021 13.965 ( -1.636 1.781 -0.426) 2.456 14.064 ( -1.141 -1.329 1.795) 2.508 14.093 ( -1.543 -1.910 0.705) 2.554 14.493 ( 7.431 0.122 2.583) 7.868 14.583 ( 11.130 1.598 2.818) 11.592 14.597 ( 9.123 1.175 1.286) 9.288 14.666 ( -0.405 0.968 0.686) 1.253 14.713 ( -0.148 2.739 0.813) 2.860 14.757 ( 7.022 -0.150 2.583) 7.484 14.798 ( 4.375 3.300 0.431) 5.496 14.939 ( 3.992 -1.010 -2.748) 4.950 15.037 ( -5.410 -1.060 1.020) 5.607 15.057 ( 1.395 -5.712 -0.252) 5.885 15.119 ( -4.043 -2.766 -0.201) 4.903 15.162 ( -3.246 -2.592 -1.358) 4.370 15.356 ( 1.182 4.929 4.017) 6.468 15.474 ( -4.110 10.618 -0.420) 11.393 15.622 ( 6.221 -2.004 -6.991) 9.570 15.760 ( -2.064 -0.101 -3.412) 3.989 21.724 ( 0.192 0.297 2.823) 2.845 21.732 ( 0.033 0.263 3.157) 3.168 21.767 ( -0.470 -0.714 4.268) 4.353 21.809 ( -3.605 -2.026 8.057) 9.056 21.954 ( 3.530 2.171 -1.674) 4.470 22.066 ( 2.703 -0.205 -3.884) 4.736 22.119 ( -3.124 1.191 -2.236) 4.022 22.249 ( -4.818 -1.567 -2.926) 5.851 22.297 ( 1.978 1.191 0.839) 2.456 22.430 ( -1.435 0.564 -2.046) 2.562 22.455 ( 0.954 -1.595 -0.025) 1.859 22.474 ( -6.254 0.732 0.504) 6.317 22.548 ( -1.999 2.116 1.126) 3.121 22.626 ( 0.063 -1.491 -1.279) 1.965 22.701 ( -4.027 -1.950 1.496) 4.718 22.749 ( -7.202 -3.544 -0.468) 8.040 23.260 ( 5.396 1.269 0.646) 5.580 23.325 ( 4.934 0.463 1.761) 5.259 23.381 ( 4.779 0.520 3.457) 5.921 23.383 ( 7.085 1.193 0.812) 7.231 23.481 ( 3.213 1.510 2.602) 4.402 23.671 ( -3.407 3.018 -4.528) 6.420 23.774 ( 7.015 -4.420 -5.585) 9.997 23.899 ( -0.835 -2.485 -5.607) 6.190 25.069 ( 5.652 1.427 3.273) 6.686 25.225 ( 4.279 -2.457 0.222) 4.939 25.277 ( -1.180 1.119 1.584) 2.270 25.331 ( 4.619 0.435 -2.529) 5.284 25.437 ( 3.052 -0.213 2.999) 4.284 25.623 ( 4.767 -5.945 -4.427) 8.813 25.760 ( -2.207 -0.153 -4.348) 4.879 25.814 ( -9.640 -0.520 -3.190) 10.167 26.799 ( 3.236 -0.655 5.700) 6.587 26.896 ( 2.278 -4.147 8.914) 10.092 26.949 ( -4.754 0.131 5.756) 7.466 27.030 ( 3.852 2.767 -1.234) 4.901 27.063 ( -4.566 -3.281 3.714) 6.738 27.232 ( -6.202 3.456 -0.837) 7.149 27.341 ( 0.616 -5.585 -2.169) 6.023 27.406 ( -3.191 0.703 -3.421) 4.731 28.423 ( 5.303 5.810 0.904) 7.918 28.540 ( 0.903 5.698 -1.373) 5.930 28.607 ( -2.899 6.156 1.798) 7.038 28.633 ( -3.924 7.264 0.906) 8.306 29.048 ( 9.265 -1.107 -0.943) 9.378 29.352 ( 4.564 -3.733 -11.487) 12.912 29.449 ( -9.519 -2.674 -3.233) 10.402 29.547 ( -4.352 -8.442 -4.510) 10.514 30.795 ( 2.272 1.256 0.985) 2.777 30.882 ( 2.757 1.802 -0.944) 3.426 30.884 ( -1.796 0.909 1.728) 2.653 30.897 ( 1.927 -0.913 1.765) 2.768 31.014 ( -2.781 2.710 -0.375) 3.901 31.045 ( -2.945 -2.799 5.084) 6.508 31.052 ( 2.147 -2.135 0.890) 3.156 31.257 ( -5.671 -3.118 -0.676) 6.507 39.623 ( 1.556 1.074 0.294) 1.913 39.654 ( 1.815 1.123 -0.380) 2.168 39.681 ( -1.243 0.868 0.252) 1.537 39.716 ( 0.114 -0.655 -0.462) 0.810 39.749 ( -0.171 0.160 0.749) 0.785 39.764 ( 0.506 -0.635 0.525) 0.967 39.810 ( -2.222 -0.292 -0.244) 2.254 39.833 ( -2.302 0.052 -0.494) 2.355 70.532 ( 27.878 2.524 1.537) 28.035 70.647 ( 29.980 6.783 1.256) 30.764 70.966 ( 27.985 1.815 0.443) 28.047 71.602 ( -25.113 -0.268 2.597) 25.249 71.745 ( -23.893 2.107 5.216) 24.546 71.951 ( -21.182 7.393 -0.673) 22.445 72.207 ( 35.438 -30.254 -36.464) 59.167 72.900 ( -8.667 -13.909 -15.978) 22.888 105.125 ( 0.981 0.190 0.465) 1.102 105.155 ( 0.509 -0.247 0.765) 0.951 105.169 ( 0.526 -0.487 0.212) 0.748 105.170 ( -0.127 -0.644 0.674) 0.941 105.215 ( 1.133 0.289 -0.727) 1.377 105.237 ( -0.849 0.654 -0.471) 1.170 105.245 ( -1.182 0.606 -0.307) 1.363 105.271 ( -1.459 0.018 -0.605) 1.579 ======================= Grid point 45 (20/36) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -11.142 1.433 14.486) 18.331 1.782 ( 11.142 1.433 14.486) 18.331 2.117 ( -5.344 6.309 4.861) 9.592 2.117 ( 5.344 6.309 4.861) 9.592 2.359 ( -14.384 -0.868 8.781) 16.875 2.359 ( 14.384 -0.868 8.781) 16.875 2.619 ( -1.865 2.943 -1.711) 3.882 2.619 ( 1.865 2.943 -1.711) 3.882 2.731 ( -2.510 4.174 2.371) 5.417 2.731 ( 2.510 4.174 2.371) 5.417 3.000 ( -1.867 8.479 7.933) 11.761 3.000 ( 1.867 8.479 7.933) 11.761 3.129 ( -5.228 -8.521 2.630) 10.337 3.129 ( 5.228 -8.521 2.630) 10.337 3.382 ( -7.811 4.699 -1.056) 9.176 3.382 ( 7.811 4.699 -1.056) 9.176 3.602 ( -4.248 3.584 2.644) 6.155 3.602 ( 4.248 3.584 2.644) 6.155 3.780 ( -11.108 0.081 -5.773) 12.519 3.780 ( 11.108 0.081 -5.773) 12.519 3.909 ( -9.178 2.260 -1.858) 9.633 3.909 ( 9.178 2.260 -1.858) 9.633 4.164 ( -5.792 -8.169 -5.406) 11.380 4.164 ( 5.792 -8.169 -5.406) 11.380 4.328 ( -9.400 5.350 -1.047) 10.866 4.328 ( 9.400 5.350 -1.047) 10.866 4.409 ( -3.715 0.526 -13.838) 14.338 4.409 ( 3.715 0.526 -13.838) 14.338 4.622 ( -4.846 0.365 -1.696) 5.147 4.622 ( 4.846 0.365 -1.696) 5.147 4.782 ( -2.954 3.298 -4.448) 6.276 4.782 ( 2.954 3.298 -4.448) 6.276 4.864 ( -5.286 2.521 3.611) 6.881 4.864 ( 5.286 2.521 3.611) 6.881 4.976 ( -9.041 -2.988 -3.197) 10.044 4.976 ( 9.041 -2.988 -3.197) 10.044 5.130 ( -12.562 3.592 -1.572) 13.160 5.130 ( 12.562 3.592 -1.572) 13.160 5.197 ( -8.857 0.038 7.265) 11.456 5.197 ( 8.857 0.038 7.265) 11.456 5.273 ( -2.543 -1.987 1.753) 3.673 5.273 ( 2.543 -1.987 1.753) 3.673 5.441 ( -0.888 2.684 1.096) 3.032 5.441 ( 0.888 2.684 1.096) 3.032 5.620 ( -3.160 -1.872 -1.440) 3.945 5.620 ( 3.160 -1.872 -1.440) 3.945 5.677 ( -8.220 -0.732 1.762) 8.438 5.677 ( 8.220 -0.732 1.762) 8.438 5.894 ( -0.508 -3.258 -2.289) 4.014 5.894 ( 0.508 -3.258 -2.289) 4.014 5.950 ( -5.386 -9.231 3.009) 11.103 5.950 ( 5.386 -9.231 3.009) 11.103 6.120 ( -7.879 -3.865 -5.248) 10.225 6.120 ( 7.879 -3.865 -5.248) 10.225 6.226 ( -12.015 -1.127 0.659) 12.085 6.226 ( 12.015 -1.127 0.659) 12.085 6.374 ( -6.977 -1.179 1.807) 7.304 6.374 ( 6.977 -1.179 1.807) 7.304 6.609 ( -2.739 -5.677 -4.117) 7.529 6.609 ( 2.739 -5.677 -4.117) 7.529 6.790 ( -2.317 3.230 -4.455) 5.971 6.790 ( 2.317 3.230 -4.455) 5.971 6.834 ( -4.378 6.560 2.118) 8.166 6.834 ( 4.378 6.560 2.118) 8.166 7.049 ( -1.277 7.527 -2.174) 7.939 7.049 ( 1.277 7.527 -2.174) 7.939 7.179 ( -1.684 3.587 3.321) 5.170 7.179 ( 1.684 3.587 3.321) 5.170 7.271 ( -3.202 -1.108 3.707) 5.022 7.271 ( 3.202 -1.108 3.707) 5.022 7.388 ( -5.121 -0.792 3.649) 6.338 7.388 ( 5.121 -0.792 3.649) 6.338 7.568 ( -0.669 -2.916 -2.166) 3.694 7.568 ( 0.669 -2.916 -2.166) 3.694 7.668 ( -1.528 1.491 -4.139) 4.657 7.668 ( 1.528 1.491 -4.139) 4.657 7.780 ( -2.796 -7.927 -1.527) 8.544 7.780 ( 2.796 -7.927 -1.527) 8.544 7.955 ( -5.284 -1.484 -5.452) 7.736 7.955 ( 5.284 -1.484 -5.452) 7.736 8.239 ( -5.442 5.488 4.690) 9.041 8.239 ( 5.442 5.488 4.690) 9.041 8.307 ( -3.543 0.160 0.335) 3.562 8.307 ( 3.543 0.160 0.335) 3.562 8.571 ( -5.099 0.177 -1.454) 5.305 8.571 ( 5.099 0.177 -1.454) 5.305 8.664 ( -4.345 -3.540 -1.415) 5.780 8.664 ( 4.345 -3.540 -1.415) 5.780 8.812 ( -1.562 1.207 1.535) 2.501 8.812 ( 1.562 1.207 1.535) 2.501 8.915 ( -3.344 -2.473 0.780) 4.232 8.915 ( 3.344 -2.473 0.780) 4.232 9.167 ( -8.184 3.232 4.645) 9.950 9.167 ( 8.184 3.232 4.645) 9.950 9.410 ( -2.498 -4.748 -2.946) 6.121 9.410 ( 2.498 -4.748 -2.946) 6.121 9.508 ( -1.803 1.922 0.706) 2.728 9.508 ( 1.803 1.922 0.706) 2.728 9.579 ( -3.234 -1.394 2.869) 4.542 9.579 ( 3.234 -1.394 2.869) 4.542 9.770 ( -2.375 2.092 4.943) 5.869 9.770 ( 2.375 2.092 4.943) 5.869 9.814 ( -3.828 -0.255 -3.917) 5.483 9.814 ( 3.828 -0.255 -3.917) 5.483 9.973 ( -5.728 -1.049 1.065) 5.920 9.973 ( 5.728 -1.049 1.065) 5.920 10.164 ( -3.358 -3.808 1.830) 5.396 10.164 ( 3.358 -3.808 1.830) 5.396 10.318 ( -3.211 3.033 -2.000) 4.849 10.318 ( 3.211 3.033 -2.000) 4.849 10.466 ( -2.695 3.217 0.397) 4.216 10.466 ( 2.696 3.217 0.397) 4.216 10.687 ( -1.839 5.724 0.767) 6.060 10.687 ( 1.839 5.724 0.767) 6.060 10.905 ( -0.311 3.251 -3.462) 4.759 10.905 ( 0.311 3.251 -3.462) 4.759 11.048 ( -5.457 -3.715 -0.628) 6.632 11.048 ( 5.457 -3.715 -0.628) 6.632 11.178 ( -9.325 -1.836 -3.429) 10.104 11.178 ( 9.325 -1.836 -3.429) 10.104 11.519 ( -4.434 -0.166 5.289) 6.904 11.519 ( 4.434 -0.166 5.289) 6.904 11.663 ( -3.085 2.705 3.875) 5.643 11.663 ( 3.085 2.705 3.875) 5.643 11.888 ( -5.352 1.221 2.245) 5.931 11.888 ( 5.352 1.221 2.245) 5.931 11.932 ( -6.220 2.490 2.453) 7.135 11.932 ( 6.220 2.490 2.453) 7.135 12.056 ( -3.101 1.946 -1.299) 3.884 12.056 ( 3.101 1.946 -1.299) 3.884 12.270 ( -4.123 0.292 -0.070) 4.134 12.270 ( 4.123 0.292 -0.070) 4.134 12.455 ( -9.234 -9.817 -4.376) 14.170 12.455 ( 9.234 -9.817 -4.376) 14.170 12.728 ( -5.138 -9.174 -10.201) 14.650 12.728 ( 5.138 -9.174 -10.201) 14.650 13.655 ( -2.991 1.032 3.723) 4.886 13.655 ( 2.991 1.032 3.723) 4.886 13.850 ( -2.097 2.310 -0.802) 3.222 13.850 ( 2.097 2.310 -0.802) 3.222 13.936 ( -1.815 -2.637 1.699) 3.624 13.936 ( 1.815 -2.637 1.699) 3.624 14.062 ( -1.132 -0.377 -0.110) 1.198 14.062 ( 1.132 -0.377 -0.110) 1.198 14.600 ( -4.375 1.398 2.470) 5.215 14.600 ( 4.375 1.398 2.470) 5.215 14.671 ( -2.809 3.298 2.371) 4.938 14.671 ( 2.809 3.298 2.371) 4.938 14.825 ( -9.882 0.494 1.460) 10.002 14.825 ( 9.882 0.494 1.460) 10.002 14.939 ( -7.696 -1.082 2.025) 8.031 14.939 ( 7.696 -1.082 2.025) 8.031 14.975 ( -9.415 -1.532 1.634) 9.678 14.975 ( 9.415 -1.532 1.634) 9.678 15.098 ( -3.268 -4.308 -1.825) 5.707 15.098 ( 3.268 -4.308 -1.825) 5.707 15.404 ( -3.379 8.933 -0.215) 9.553 15.404 ( 3.379 8.933 -0.215) 9.553 15.710 ( -3.503 -0.823 -5.493) 6.567 15.710 ( 3.503 -0.823 -5.493) 6.567 21.730 ( -0.323 0.216 3.487) 3.508 21.730 ( 0.323 0.216 3.487) 3.508 21.769 ( -0.948 -0.915 4.892) 5.067 21.769 ( 0.948 -0.915 4.892) 5.067 22.028 ( -4.185 2.080 -2.297) 5.207 22.028 ( 4.185 2.080 -2.297) 5.207 22.157 ( -4.705 -1.207 -3.728) 6.123 22.157 ( 4.705 -1.207 -3.728) 6.123 22.360 ( -4.784 1.331 0.461) 4.987 22.360 ( 4.784 1.331 0.461) 4.987 22.434 ( -1.769 0.468 -1.124) 2.147 22.434 ( 1.769 0.468 -1.124) 2.147 22.614 ( -6.048 -2.437 0.543) 6.543 22.614 ( 6.048 -2.437 0.543) 6.543 22.648 ( -1.969 -1.866 0.195) 2.720 22.648 ( 1.969 -1.866 0.195) 2.720 23.337 ( -2.532 1.639 1.280) 3.277 23.337 ( 2.532 1.639 1.280) 3.277 23.443 ( -1.838 -1.501 4.023) 4.671 23.443 ( 1.838 -1.501 4.023) 4.671 23.575 ( -6.527 4.395 -2.606) 8.289 23.575 ( 6.527 4.395 -2.606) 8.289 23.865 ( -3.123 -3.254 -5.250) 6.921 23.865 ( 3.123 -3.254 -5.250) 6.921 25.180 ( -5.963 1.541 3.588) 7.128 25.180 ( 5.963 1.541 3.588) 7.128 25.319 ( -3.640 -1.610 0.563) 4.019 25.319 ( 3.640 -1.610 0.563) 4.019 25.602 ( -11.626 0.323 -1.708) 11.755 25.602 ( 11.626 0.323 -1.708) 11.755 25.712 ( -4.152 -2.738 -5.964) 7.765 25.712 ( 4.152 -2.738 -5.964) 7.765 26.865 ( -4.106 -0.212 6.958) 8.082 26.865 ( 4.106 -0.212 6.958) 8.082 26.969 ( -5.094 -3.304 4.923) 7.816 26.969 ( 5.094 -3.304 4.923) 7.816 27.120 ( -5.722 3.457 -0.950) 6.752 27.120 ( 5.722 3.457 -0.950) 6.752 27.362 ( -1.710 -2.465 -3.024) 4.260 27.362 ( 1.710 -2.465 -3.024) 4.260 28.523 ( -5.020 6.476 0.950) 8.249 28.523 ( 5.020 6.476 0.950) 8.249 28.575 ( -2.067 6.529 0.044) 6.848 28.575 ( 2.067 6.529 0.044) 6.848 29.237 ( -10.922 -2.463 -1.332) 11.275 29.237 ( 10.922 -2.463 -1.332) 11.275 29.459 ( -5.031 -7.280 -7.550) 11.632 29.459 ( 5.031 -7.280 -7.550) 11.632 30.840 ( -2.563 1.195 1.351) 3.134 30.840 ( 2.563 1.195 1.351) 3.134 30.927 ( -0.821 0.798 0.126) 1.152 30.927 ( 0.821 0.798 0.126) 1.152 30.979 ( -1.049 -0.180 2.864) 3.055 30.979 ( 1.049 -0.180 2.864) 3.055 31.149 ( -5.833 -2.547 -1.003) 6.444 31.149 ( 5.833 -2.547 -1.003) 6.444 39.653 ( -1.691 1.023 0.311) 2.001 39.653 ( 1.691 1.023 0.311) 2.001 39.691 ( -2.079 0.892 -0.554) 2.330 39.691 ( 2.079 0.892 -0.554) 2.330 39.770 ( -2.034 -0.741 0.489) 2.219 39.770 ( 2.034 -0.741 0.489) 2.219 39.792 ( -2.017 -0.559 -0.087) 2.094 39.792 ( 2.017 -0.559 -0.087) 2.094 71.080 ( -30.204 1.199 2.258) 30.312 71.080 ( 30.204 1.199 2.258) 30.312 71.222 ( -30.157 5.391 2.738) 30.757 71.222 ( 30.157 5.391 2.738) 30.757 71.498 ( -26.729 4.477 1.075) 27.123 71.498 ( 26.729 4.477 1.075) 27.123 72.670 ( -17.207 -21.338 -24.335) 36.654 72.670 ( 17.207 -21.338 -24.335) 36.654 105.144 ( -1.027 0.124 0.840) 1.332 105.144 ( 1.027 0.124 0.840) 1.332 105.176 ( -0.095 -0.600 0.265) 0.663 105.176 ( 0.095 -0.600 0.265) 0.663 105.229 ( -0.350 0.506 -0.491) 0.787 105.229 ( 0.350 0.506 -0.491) 0.787 105.243 ( -1.371 0.111 -0.600) 1.501 105.243 ( 1.371 0.111 -0.600) 1.501 ======================= Grid point 49 (21/36) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.000 31.428 13.433) 34.178 1.665 ( 0.000 25.506 22.873) 34.260 2.139 ( 0.000 -22.900 13.121) 26.393 2.212 ( 0.000 -26.234 7.474) 27.278 2.636 ( 0.000 2.643 3.866) 4.684 2.657 ( 0.000 -0.791 7.467) 7.509 2.811 ( 0.000 19.725 3.734) 20.076 2.879 ( 0.000 14.077 4.237) 14.701 2.880 ( 0.000 0.959 -4.970) 5.062 2.985 ( 0.000 -1.934 -0.205) 1.945 3.059 ( 0.000 16.959 4.573) 17.565 3.102 ( 0.000 5.639 -7.669) 9.519 3.232 ( 0.000 0.919 -6.493) 6.558 3.277 ( 0.000 2.788 -4.646) 5.419 3.361 ( 0.000 -5.324 -5.659) 7.770 3.553 ( 0.000 -9.319 -10.134) 13.768 3.576 ( 0.000 6.599 -2.004) 6.897 3.710 ( 0.000 4.065 -0.101) 4.066 3.735 ( 0.000 0.732 1.960) 2.092 3.818 ( 0.000 3.979 -0.588) 4.022 3.868 ( 0.000 -3.808 -2.955) 4.820 3.935 ( 0.000 -17.218 9.217) 19.530 3.956 ( 0.000 2.659 3.950) 4.762 3.973 ( 0.000 0.933 6.736) 6.801 4.010 ( 0.000 -3.059 5.063) 5.915 4.090 ( 0.000 -17.430 13.565) 22.087 4.188 ( 0.000 8.407 3.273) 9.021 4.336 ( 0.000 -7.117 -1.233) 7.223 4.431 ( 0.000 6.414 5.477) 8.435 4.455 ( 0.000 -0.488 2.199) 2.253 4.516 ( 0.000 8.004 -2.053) 8.263 4.635 ( 0.000 1.139 -0.871) 1.434 4.703 ( 0.000 -3.603 -3.092) 4.748 4.720 ( 0.000 -7.050 2.080) 7.351 4.814 ( 0.000 2.162 -4.916) 5.370 4.910 ( 0.000 -7.273 -1.840) 7.502 5.048 ( 0.000 1.490 -8.287) 8.420 5.110 ( 0.000 -6.689 -10.207) 12.203 5.307 ( 0.000 3.682 0.547) 3.723 5.308 ( 0.000 6.727 3.134) 7.421 5.365 ( 0.000 -1.581 -1.363) 2.088 5.379 ( 0.000 1.309 6.251) 6.386 5.440 ( 0.000 0.019 2.640) 2.640 5.455 ( 0.000 -4.020 -2.592) 4.783 5.628 ( 0.000 0.614 4.464) 4.506 5.678 ( 0.000 -2.615 2.144) 3.381 5.697 ( 0.000 1.102 -2.341) 2.588 5.729 ( 0.000 0.514 -0.668) 0.843 5.793 ( 0.000 -6.938 0.960) 7.004 5.821 ( 0.000 -6.877 -1.703) 7.085 5.956 ( 0.000 0.286 -2.647) 2.662 5.999 ( 0.000 -4.992 -6.778) 8.418 6.147 ( 0.000 12.666 -9.050) 15.567 6.302 ( 0.000 3.356 -2.232) 4.030 6.372 ( 0.000 1.923 -3.171) 3.708 6.380 ( 0.000 -4.375 -14.087) 14.751 6.479 ( 0.000 4.226 -3.017) 5.193 6.549 ( 0.000 -1.915 -4.389) 4.789 6.671 ( 0.000 -0.312 1.288) 1.325 6.725 ( 0.000 -3.316 -1.827) 3.786 6.758 ( 0.000 4.614 2.153) 5.091 6.813 ( 0.000 0.035 5.699) 5.699 6.882 ( 0.000 0.984 -5.674) 5.759 6.896 ( 0.000 -2.002 -3.218) 3.790 6.949 ( 0.000 2.627 -6.557) 7.064 6.997 ( 0.000 2.742 1.737) 3.246 7.125 ( 0.000 3.491 3.105) 4.672 7.199 ( 0.000 -6.657 0.658) 6.690 7.320 ( 0.000 1.730 0.324) 1.760 7.326 ( 0.000 -0.230 -4.185) 4.191 7.392 ( 0.000 1.109 -1.353) 1.749 7.436 ( 0.000 -3.630 -3.753) 5.221 7.613 ( 0.000 6.030 2.861) 6.674 7.643 ( 0.000 -0.983 5.654) 5.738 7.730 ( 0.000 -3.501 1.436) 3.784 7.748 ( 0.000 4.824 5.322) 7.183 7.752 ( 0.000 -3.134 0.574) 3.186 7.862 ( 0.000 7.851 4.861) 9.234 7.953 ( 0.000 -3.558 3.573) 5.042 8.002 ( 0.000 1.048 5.488) 5.588 8.075 ( 0.000 -1.838 1.087) 2.136 8.194 ( 0.000 -13.890 -0.222) 13.892 8.332 ( 0.000 1.136 3.305) 3.495 8.360 ( 0.000 2.513 0.843) 2.651 8.421 ( 0.000 -1.496 1.540) 2.147 8.513 ( 0.000 -6.141 -0.965) 6.217 8.581 ( 0.000 7.422 -0.755) 7.460 8.642 ( 0.000 2.018 -0.398) 2.057 8.740 ( 0.000 -0.283 -0.593) 0.657 8.751 ( 0.000 -3.366 -1.481) 3.677 8.848 ( 0.000 1.921 0.781) 2.074 8.913 ( 0.000 -4.851 -3.079) 5.746 9.222 ( 0.000 2.858 1.245) 3.117 9.251 ( 0.000 -0.690 -0.548) 0.881 9.263 ( 0.000 -0.820 -4.561) 4.635 9.300 ( 0.000 -4.076 0.933) 4.182 9.588 ( 0.000 2.497 4.505) 5.151 9.599 ( 0.000 1.897 4.957) 5.308 9.655 ( 0.000 -0.862 -0.162) 0.877 9.656 ( 0.000 0.857 3.125) 3.240 9.693 ( 0.000 -0.429 5.698) 5.714 9.694 ( 0.000 -0.448 -3.809) 3.836 9.810 ( 0.000 1.945 -1.021) 2.197 9.831 ( 0.000 0.021 0.755) 0.755 9.979 ( 0.000 2.818 -1.643) 3.261 10.038 ( 0.000 -2.788 -5.640) 6.291 10.137 ( 0.000 0.798 -3.477) 3.568 10.156 ( 0.000 -1.386 -4.588) 4.793 10.253 ( 0.000 -1.155 3.909) 4.076 10.257 ( 0.000 -1.250 3.264) 3.495 10.394 ( 0.000 2.747 4.739) 5.478 10.412 ( 0.000 1.068 4.365) 4.494 10.690 ( 0.000 2.298 1.974) 3.030 10.721 ( 0.000 -0.357 -1.105) 1.161 10.957 ( 0.000 4.272 -1.027) 4.393 10.978 ( 0.000 1.696 3.323) 3.730 10.985 ( 0.000 4.682 -1.208) 4.835 11.107 ( 0.000 -7.785 -1.571) 7.942 11.259 ( 0.000 4.897 -12.788) 13.693 11.321 ( 0.000 -3.127 -15.129) 15.448 11.488 ( 0.000 2.011 3.747) 4.253 11.580 ( 0.000 -5.546 -2.051) 5.913 11.652 ( 0.000 4.255 2.436) 4.903 11.753 ( 0.000 -4.884 2.710) 5.586 11.764 ( 0.000 6.383 -0.766) 6.429 11.896 ( 0.000 -6.960 0.289) 6.966 11.918 ( 0.000 9.652 0.889) 9.693 12.017 ( 0.000 -1.539 4.687) 4.934 12.117 ( 0.000 2.518 -2.357) 3.450 12.256 ( 0.000 -11.977 -11.230) 16.418 12.284 ( 0.000 10.900 6.569) 12.726 12.383 ( 0.000 -0.266 -0.672) 0.723 12.421 ( 0.000 1.780 -1.183) 2.137 12.594 ( 0.000 -13.999 -1.771) 14.110 12.682 ( 0.000 3.663 -2.246) 4.296 12.757 ( 0.000 -5.194 -1.386) 5.375 13.668 ( 0.000 1.821 1.991) 2.698 13.701 ( 0.000 -1.200 -0.244) 1.224 13.805 ( 0.000 0.182 4.795) 4.799 13.825 ( 0.000 -1.731 2.404) 2.962 13.991 ( 0.000 0.624 -1.610) 1.726 13.999 ( 0.000 0.935 -4.326) 4.426 14.029 ( 0.000 1.245 -2.151) 2.485 14.059 ( 0.000 -0.192 -4.190) 4.194 14.246 ( 0.000 4.321 1.815) 4.687 14.330 ( 0.000 -4.483 3.194) 5.504 14.367 ( 0.000 3.533 -0.658) 3.594 14.418 ( 0.000 -2.289 0.548) 2.354 14.762 ( 0.000 -0.171 1.801) 1.809 14.773 ( 0.000 -0.580 1.593) 1.695 14.804 ( 0.000 4.580 -1.402) 4.790 14.856 ( 0.000 -1.549 -1.094) 1.896 14.933 ( 0.000 -1.059 -0.176) 1.073 14.951 ( 0.000 -2.783 -0.319) 2.801 15.067 ( 0.000 2.941 -5.663) 6.382 15.133 ( 0.000 -2.950 -6.060) 6.740 15.420 ( 0.000 1.379 11.538) 11.620 15.441 ( 0.000 -0.530 12.235) 12.246 15.720 ( 0.000 5.973 0.328) 5.982 15.791 ( 0.000 -1.718 -0.460) 1.779 21.735 ( 0.000 0.368 1.181) 1.237 21.736 ( 0.000 0.487 2.427) 2.475 21.787 ( 0.000 0.869 6.924) 6.978 21.836 ( 0.000 -3.972 7.654) 8.623 21.939 ( 0.000 0.012 2.688) 2.688 21.967 ( 0.000 -1.819 -2.069) 2.755 22.250 ( 0.000 2.768 -2.360) 3.637 22.300 ( 0.000 0.372 2.304) 2.334 22.303 ( 0.000 -2.655 -1.348) 2.978 22.313 ( 0.000 -1.062 1.813) 2.101 22.600 ( 0.000 -0.341 -5.379) 5.390 22.601 ( 0.000 -0.434 -6.032) 6.048 22.763 ( 0.000 1.956 2.658) 3.300 22.796 ( 0.000 -1.527 2.933) 3.307 22.905 ( 0.000 2.355 1.030) 2.571 22.929 ( 0.000 -0.072 0.870) 0.873 23.099 ( 0.000 0.329 -0.061) 0.335 23.105 ( 0.000 0.280 0.014) 0.280 23.111 ( 0.000 -0.298 -0.191) 0.354 23.121 ( 0.000 -1.769 -0.025) 1.770 23.334 ( 0.000 1.697 4.673) 4.971 23.362 ( 0.000 -1.187 3.298) 3.505 23.794 ( 0.000 3.206 -5.824) 6.648 23.854 ( 0.000 -3.016 -6.474) 7.142 24.972 ( 0.000 1.307 2.595) 2.905 24.994 ( 0.000 -0.889 2.260) 2.429 25.181 ( 0.000 1.696 -2.034) 2.648 25.208 ( 0.000 -0.781 -3.068) 3.166 25.449 ( 0.000 1.234 5.749) 5.880 25.493 ( 0.000 -3.720 8.785) 9.540 25.860 ( 0.000 5.125 -4.043) 6.528 25.950 ( 0.000 -4.235 -3.730) 5.643 26.737 ( 0.000 1.006 4.522) 4.633 26.769 ( 0.000 -2.987 7.977) 8.518 27.018 ( 0.000 4.494 -2.030) 4.931 27.088 ( 0.000 -0.473 2.028) 2.083 27.116 ( 0.000 -0.319 4.381) 4.392 27.162 ( 0.000 -7.682 0.833) 7.727 27.429 ( 0.000 4.056 -2.744) 4.897 27.509 ( 0.000 -4.077 -3.668) 5.485 28.411 ( 0.000 6.349 2.205) 6.721 28.531 ( 0.000 -6.015 2.432) 6.488 28.645 ( 0.000 5.159 -1.219) 5.301 28.748 ( 0.000 -5.411 -1.262) 5.556 29.059 ( 0.000 18.642 -0.820) 18.661 29.390 ( 0.000 -15.845 -1.747) 15.941 29.475 ( 0.000 9.633 -14.773) 17.637 29.607 ( 0.000 -5.052 -8.061) 9.513 30.778 ( 0.000 1.819 0.706) 1.951 30.812 ( 0.000 -1.751 0.952) 1.993 30.864 ( 0.000 2.470 -0.964) 2.651 30.911 ( 0.000 -2.368 -1.111) 2.616 30.984 ( 0.000 3.387 5.005) 6.044 31.078 ( 0.000 -6.953 8.380) 10.889 31.171 ( 0.000 5.814 -0.590) 5.844 31.285 ( 0.000 -5.982 -0.326) 5.991 39.619 ( 0.000 1.878 0.369) 1.914 39.650 ( 0.000 2.039 -0.360) 2.070 39.657 ( 0.000 -2.068 0.549) 2.140 39.688 ( 0.000 -1.846 -0.420) 1.893 39.749 ( 0.000 1.306 1.428) 1.936 39.779 ( 0.000 -1.677 1.095) 2.002 39.901 ( 0.000 0.758 -1.826) 1.978 39.908 ( 0.000 0.253 -3.069) 3.079 70.020 ( 0.000 5.766 1.312) 5.913 70.133 ( 0.000 -5.992 1.300) 6.132 70.338 ( 0.000 4.360 -9.170) 10.154 70.380 ( 0.000 -0.670 -5.043) 5.087 72.113 ( 0.000 0.821 4.642) 4.714 72.145 ( 0.000 -2.248 6.774) 7.137 72.597 ( 0.000 13.106 -5.791) 14.328 72.843 ( 0.000 -12.504 -8.310) 15.013 105.108 ( 0.000 0.220 0.655) 0.691 105.112 ( 0.000 -0.128 0.668) 0.680 105.158 ( 0.000 0.197 0.142) 0.243 105.165 ( 0.000 -0.552 0.794) 0.967 105.218 ( 0.000 1.290 -0.163) 1.300 105.241 ( 0.000 -1.111 0.087) 1.114 105.305 ( 0.000 0.178 -1.066) 1.081 105.307 ( 0.000 0.042 -1.656) 1.657 ======================= Grid point 50 (22/36) ======================= q-point: ( 0.17 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 2.357 26.180 13.498) 29.549 1.755 ( 8.672 22.042 21.373) 31.904 2.101 ( -7.021 -17.991 10.521) 21.992 2.176 ( 1.302 -20.942 12.016) 24.179 2.641 ( -2.048 1.607 3.938) 4.721 2.653 ( -1.689 0.314 0.882) 1.931 2.736 ( -9.566 8.111 1.771) 12.666 2.818 ( -8.380 -1.396 3.157) 9.063 2.911 ( -5.299 5.058 0.858) 7.376 2.967 ( 7.285 10.546 4.369) 13.542 3.036 ( -1.644 3.691 -6.912) 8.007 3.107 ( -2.988 -2.797 -6.512) 7.691 3.194 ( 3.643 17.780 2.028) 18.263 3.319 ( 3.129 1.703 -6.245) 7.190 3.365 ( 1.865 -2.543 -4.554) 5.539 3.497 ( -3.707 4.917 -5.517) 8.268 3.575 ( -5.482 3.596 1.276) 6.679 3.690 ( -5.107 0.970 0.039) 5.198 3.707 ( -4.199 -8.413 0.048) 9.403 3.791 ( 2.213 -4.469 0.485) 5.011 3.805 ( -0.315 2.496 2.764) 3.738 3.846 ( 1.148 3.282 6.420) 7.301 3.988 ( -2.024 -1.697 -1.839) 3.219 4.031 ( 9.184 -1.082 1.111) 9.314 4.133 ( 1.758 -9.037 5.221) 10.583 4.172 ( 15.959 -10.724 3.262) 19.502 4.339 ( 4.570 5.471 2.380) 7.515 4.404 ( 6.810 -0.482 1.333) 6.956 4.428 ( -6.459 4.634 -2.608) 8.366 4.564 ( 11.463 3.436 3.410) 12.443 4.575 ( 6.778 3.849 0.807) 7.836 4.623 ( 7.196 -5.069 3.387) 9.432 4.720 ( 4.683 -4.663 4.062) 7.758 4.752 ( 3.326 -3.638 -3.913) 6.293 4.910 ( 6.026 0.766 -2.466) 6.556 4.959 ( 4.251 -3.841 -3.043) 6.488 5.056 ( -0.848 1.791 -0.844) 2.154 5.129 ( 0.154 -5.858 -3.939) 7.061 5.197 ( -8.372 1.860 -3.820) 9.389 5.253 ( -3.186 3.279 -2.619) 5.269 5.291 ( -10.207 -5.587 -0.534) 11.649 5.325 ( -0.199 -2.875 -1.034) 3.061 5.414 ( 2.417 2.659 2.281) 4.256 5.508 ( 3.927 -4.721 -1.738) 6.382 5.619 ( -3.639 5.345 0.533) 6.488 5.671 ( -2.274 3.229 -0.625) 3.999 5.696 ( -2.224 1.276 -0.050) 2.565 5.730 ( -2.106 -5.590 0.058) 5.974 5.776 ( -2.446 2.186 1.088) 3.456 5.848 ( -0.725 0.385 -4.621) 4.693 5.898 ( 2.206 -5.783 -1.373) 6.340 5.950 ( -6.282 -9.367 -3.631) 11.849 6.073 ( -4.716 10.433 -5.664) 12.774 6.279 ( -5.533 -3.845 -1.665) 6.941 6.324 ( -3.737 0.023 -7.676) 8.537 6.360 ( -3.256 0.331 -6.750) 7.502 6.490 ( 2.496 5.832 -0.284) 6.350 6.580 ( 0.324 -1.242 -1.818) 2.225 6.608 ( -3.985 3.837 3.269) 6.425 6.679 ( -3.105 -3.207 2.619) 5.175 6.740 ( 0.403 0.744 4.615) 4.692 6.817 ( 4.882 -4.538 0.596) 6.691 6.857 ( -1.977 3.873 -8.620) 9.655 6.895 ( -3.002 -0.563 -3.714) 4.809 7.053 ( 6.126 6.293 -3.213) 9.351 7.141 ( 5.051 3.430 0.512) 6.127 7.160 ( 6.475 -2.371 -0.370) 6.905 7.231 ( 2.405 -3.231 -0.877) 4.122 7.302 ( -2.660 0.389 -1.691) 3.176 7.329 ( -2.926 2.192 -0.657) 3.715 7.371 ( 2.275 1.339 -2.219) 3.449 7.467 ( 2.190 -4.710 -1.987) 5.561 7.546 ( -3.927 6.486 1.974) 7.835 7.599 ( -4.314 -1.286 2.687) 5.243 7.663 ( -5.753 -4.199 2.698) 7.616 7.707 ( -2.915 -2.016 0.764) 3.626 7.744 ( -2.108 1.349 2.527) 3.557 7.814 ( -4.504 -2.775 3.376) 6.276 7.964 ( -2.544 2.165 1.469) 3.649 8.016 ( 0.674 -5.075 4.156) 6.594 8.074 ( 5.104 7.512 2.194) 9.343 8.222 ( 1.558 -6.154 -2.108) 6.689 8.349 ( 1.576 1.297 -0.549) 2.114 8.390 ( 0.377 2.695 1.612) 3.163 8.400 ( 1.046 -3.715 4.839) 6.190 8.494 ( -1.235 -6.831 -2.848) 7.504 8.597 ( 1.522 6.307 1.744) 6.718 8.672 ( 2.350 0.154 3.833) 4.499 8.738 ( 0.194 1.689 -1.292) 2.135 8.789 ( 3.158 -2.416 -1.365) 4.204 8.851 ( 0.651 2.281 1.629) 2.878 8.915 ( -0.304 -3.452 -2.056) 4.029 9.203 ( -2.097 -0.185 -1.068) 2.361 9.229 ( -0.289 -3.106 -2.056) 3.736 9.275 ( 0.581 0.039 -2.873) 2.932 9.303 ( 0.690 -2.672 -1.027) 2.945 9.569 ( -1.476 2.073 3.412) 4.256 9.575 ( -1.479 1.590 3.217) 3.881 9.641 ( -0.991 1.066 -0.196) 1.469 9.667 ( -0.814 -1.661 3.906) 4.322 9.711 ( 1.582 0.784 3.523) 3.940 9.727 ( 1.800 -0.250 0.251) 1.834 9.809 ( -0.177 2.506 0.431) 2.549 9.849 ( 2.498 -1.911 0.901) 3.272 9.935 ( -3.865 2.449 1.070) 4.699 9.992 ( -3.294 -3.191 -0.032) 4.587 10.131 ( -0.580 1.839 -5.374) 5.710 10.155 ( -0.492 -0.688 -0.026) 0.847 10.248 ( 1.169 1.977 1.668) 2.838 10.300 ( 4.233 -2.702 -0.957) 5.113 10.425 ( 2.545 3.713 3.081) 5.455 10.482 ( 4.132 -1.932 1.962) 4.965 10.722 ( 3.258 3.187 1.828) 4.910 10.762 ( 4.236 -0.257 -1.109) 4.386 10.946 ( -1.523 3.937 0.630) 4.269 10.949 ( -1.284 2.194 -0.533) 2.597 10.992 ( -0.570 1.164 1.163) 1.741 11.075 ( -3.064 -4.944 -3.346) 6.710 11.197 ( -5.204 8.697 -9.736) 14.054 11.322 ( -0.875 -3.966 -12.647) 13.283 11.511 ( 1.475 1.202 2.898) 3.467 11.565 ( -1.067 -3.326 1.482) 3.795 11.649 ( -0.522 3.645 1.950) 4.167 11.740 ( -0.811 -4.116 2.968) 5.138 11.778 ( 0.321 3.645 -0.245) 3.667 11.848 ( 1.722 -2.326 0.017) 2.894 11.989 ( 3.043 6.483 0.079) 7.162 12.028 ( 0.515 0.742 2.613) 2.765 12.131 ( -0.445 1.499 -0.066) 1.565 12.203 ( -3.819 5.031 1.626) 6.522 12.292 ( 1.725 -10.713 -6.548) 12.674 12.357 ( -4.783 3.249 0.863) 5.847 12.382 ( -3.282 -5.375 -0.670) 6.333 12.458 ( -10.663 -4.710 -1.710) 11.781 12.607 ( -6.858 1.735 -2.988) 7.679 12.705 ( -3.387 -8.682 -1.160) 9.391 13.647 ( -0.763 2.685 0.944) 2.946 13.691 ( 0.102 -1.382 -1.398) 1.968 13.829 ( -0.168 0.094 3.575) 3.580 13.844 ( 0.948 -1.294 4.059) 4.365 14.001 ( -0.529 2.907 -2.859) 4.111 14.034 ( 0.367 -1.289 1.614) 2.098 14.034 ( -0.367 -0.394 -0.805) 0.969 14.052 ( 0.355 -1.192 -5.242) 5.387 14.344 ( 9.503 2.748 1.260) 9.972 14.401 ( 6.770 -2.749 2.027) 7.583 14.435 ( 8.722 3.972 1.412) 9.687 14.507 ( 8.657 -3.765 -0.687) 9.465 14.751 ( -0.795 1.321 2.160) 2.654 14.772 ( -0.125 0.111 2.108) 2.115 14.854 ( 4.057 4.086 -1.998) 6.095 14.899 ( 1.806 -0.942 -0.751) 2.171 14.919 ( 0.746 0.406 -1.294) 1.547 14.979 ( 2.134 -4.145 -1.841) 5.012 15.117 ( 3.063 0.758 -5.085) 5.984 15.152 ( 1.076 -2.277 -4.810) 5.429 15.413 ( 0.095 2.496 9.818) 10.131 15.459 ( 3.010 -2.088 7.961) 8.763 15.700 ( -2.119 6.363 -0.095) 6.707 15.777 ( -1.469 -1.998 -0.995) 2.672 21.733 ( -0.102 0.551 1.943) 2.022 21.738 ( 0.099 0.242 2.130) 2.146 21.775 ( -1.131 0.498 6.349) 6.468 21.812 ( -2.308 -3.449 8.530) 9.486 21.949 ( 1.674 1.929 -0.403) 2.586 21.988 ( 2.209 -1.937 -2.197) 3.668 22.224 ( -2.655 2.698 -2.572) 4.576 22.276 ( -2.478 -2.434 -1.870) 3.944 22.304 ( 0.546 1.259 1.648) 2.144 22.340 ( 2.196 -2.293 2.030) 3.769 22.543 ( -4.430 1.755 -4.778) 6.748 22.577 ( -2.891 -1.770 -4.335) 5.503 22.687 ( -6.508 2.284 1.684) 7.100 22.710 ( -8.966 1.507 2.313) 9.381 22.756 ( -5.644 0.232 1.524) 5.851 22.809 ( -8.057 -3.709 0.479) 8.882 23.170 ( 6.180 0.884 0.568) 6.269 23.186 ( 7.110 -0.664 1.223) 7.245 23.257 ( 10.594 3.017 0.508) 11.027 23.305 ( 7.692 -1.724 3.286) 8.540 23.412 ( 6.794 1.335 1.550) 7.096 23.459 ( 11.110 -3.653 -1.541) 11.797 23.786 ( -0.953 3.502 -5.379) 6.489 23.852 ( -0.342 -3.308 -6.054) 6.908 25.012 ( 4.093 1.986 2.603) 5.242 25.056 ( 5.707 -2.687 1.559) 6.498 25.229 ( 5.076 1.758 -2.512) 5.930 25.257 ( 4.860 -0.806 -3.533) 6.063 25.439 ( -1.051 0.967 5.731) 5.906 25.480 ( -0.947 -3.651 7.620) 8.502 25.839 ( -2.297 3.939 -4.096) 6.129 25.910 ( -4.287 -3.373 -3.752) 6.621 26.752 ( 1.631 0.845 4.959) 5.288 26.784 ( 1.581 -2.820 7.418) 8.092 27.036 ( 1.247 3.948 -1.343) 4.352 27.059 ( -2.583 1.924 3.542) 4.787 27.086 ( -2.994 -1.345 4.063) 5.223 27.172 ( 1.392 -8.062 -0.867) 8.227 27.396 ( -3.477 3.827 -2.475) 5.732 27.466 ( -4.083 -3.191 -3.470) 6.236 28.455 ( 4.415 6.890 1.826) 8.384 28.573 ( 3.875 -4.467 1.625) 6.133 28.654 ( 0.926 4.635 -0.564) 4.760 28.752 ( 0.118 -4.246 -0.826) 4.327 29.061 ( 0.548 16.273 -1.177) 16.324 29.370 ( -2.118 -14.764 -2.433) 15.113 29.420 ( -5.148 7.250 -12.133) 15.042 29.540 ( -6.754 -5.194 -6.898) 10.963 30.791 ( 1.411 1.897 0.813) 2.500 30.827 ( 1.559 -1.847 0.999) 2.615 30.881 ( 1.824 2.599 -0.991) 3.327 30.929 ( 1.564 -1.948 -0.819) 2.629 30.971 ( -1.023 2.368 4.144) 4.881 31.046 ( -3.036 -5.370 7.316) 9.569 31.148 ( -2.435 5.486 -0.656) 6.038 31.255 ( -3.089 -5.645 -0.501) 6.455 39.627 ( 0.876 1.827 0.350) 2.056 39.655 ( 0.639 0.843 -0.058) 1.059 39.669 ( 1.168 -0.857 0.056) 1.450 39.695 ( 0.610 -1.480 -0.543) 1.691 39.744 ( -0.521 1.048 1.417) 1.838 39.770 ( -0.912 -1.473 1.080) 2.042 39.875 ( -2.790 0.815 -1.961) 3.506 39.881 ( -2.362 0.195 -1.708) 2.922 70.193 ( 17.244 5.334 1.944) 18.155 70.265 ( 16.615 -0.955 2.034) 16.767 70.583 ( 24.299 8.659 -6.721) 26.657 70.838 ( 40.769 -18.248 -14.763) 47.043 71.987 ( -13.296 1.748 4.880) 14.271 72.035 ( -11.947 -2.933 6.790) 14.052 72.496 ( -10.844 14.495 -6.198) 19.134 72.776 ( -7.346 -14.551 -9.180) 18.708 105.115 ( 0.695 0.354 0.571) 0.966 105.122 ( 1.017 -0.420 0.638) 1.272 105.161 ( 0.263 0.132 0.264) 0.395 105.166 ( 0.065 -0.413 0.883) 0.977 105.218 ( 0.070 1.106 -0.364) 1.167 105.238 ( -0.280 -0.970 -0.043) 1.011 105.292 ( -1.425 0.392 -1.278) 1.954 105.295 ( -1.107 0.009 -1.031) 1.512 ======================= Grid point 51 (23/36) ======================= q-point: ( 0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 5.768 14.887 13.281) 20.767 1.918 ( 5.440 11.730 17.655) 21.884 2.011 ( -0.725 -11.084 13.521) 17.498 2.162 ( -4.876 -9.041 10.877) 14.961 2.500 ( -7.799 9.205 3.101) 12.457 2.585 ( -3.007 2.451 4.657) 6.061 2.632 ( -6.209 -4.958 2.248) 8.258 2.664 ( -0.909 -3.672 0.601) 3.830 2.844 ( -3.525 7.862 4.557) 9.747 2.915 ( -9.378 4.585 -7.015) 12.577 2.989 ( -6.775 -3.275 -6.711) 10.083 3.036 ( -3.430 -10.894 5.685) 12.758 3.251 ( -5.404 7.320 -3.214) 9.650 3.273 ( -1.091 15.629 3.171) 15.985 3.359 ( -0.767 0.381 -5.558) 5.624 3.553 ( -7.616 -6.935 -5.642) 11.745 3.576 ( 5.282 6.643 3.777) 9.290 3.625 ( 13.242 3.330 -2.732) 13.924 3.662 ( 0.560 5.248 2.097) 5.679 3.802 ( -0.180 4.845 5.159) 7.080 3.862 ( 2.127 -2.844 0.283) 3.563 3.936 ( 7.577 1.082 -0.735) 7.689 4.036 ( 3.472 -2.459 -4.801) 6.415 4.177 ( 4.245 -13.587 2.384) 14.433 4.233 ( 4.236 4.588 -4.734) 7.836 4.283 ( 4.675 11.186 -2.016) 12.290 4.366 ( 6.005 -5.647 0.176) 8.245 4.494 ( 10.319 -3.315 -2.732) 11.177 4.563 ( -6.792 1.165 -4.343) 8.146 4.580 ( 10.439 -0.556 -1.979) 10.639 4.745 ( 5.519 -1.156 1.072) 5.739 4.776 ( -1.072 -0.789 3.542) 3.784 4.804 ( 5.085 0.294 1.225) 5.238 4.888 ( 4.486 -5.922 3.748) 8.321 4.971 ( 2.309 5.399 -0.510) 5.894 5.002 ( 0.486 2.350 -0.079) 2.400 5.053 ( 4.775 2.138 -0.804) 5.293 5.066 ( -2.190 -3.329 1.765) 4.358 5.117 ( 1.568 2.059 -3.538) 4.383 5.244 ( 3.148 -0.197 -1.178) 3.367 5.286 ( 3.612 -3.191 -0.268) 4.827 5.349 ( 0.825 -5.400 -0.941) 5.543 5.432 ( -2.163 4.704 0.640) 5.216 5.521 ( -0.971 4.578 2.747) 5.426 5.570 ( 2.191 -0.305 0.497) 2.267 5.611 ( -2.304 -2.584 0.730) 3.538 5.657 ( -0.604 -3.897 -3.556) 5.310 5.660 ( -8.235 0.419 -1.232) 8.337 5.723 ( 1.121 -6.229 -1.909) 6.610 5.801 ( -4.697 -11.260 0.307) 12.205 5.848 ( -4.967 2.824 -7.925) 9.770 5.906 ( 0.379 2.343 -11.661) 11.900 6.028 ( -0.608 3.994 -2.701) 4.860 6.170 ( -4.877 -2.367 -0.114) 5.422 6.224 ( -8.270 -2.095 -6.064) 10.467 6.303 ( -3.480 -4.329 -0.484) 5.576 6.464 ( -4.645 2.410 3.421) 6.252 6.526 ( -1.531 -2.815 -1.340) 3.473 6.532 ( -8.444 6.993 3.068) 11.385 6.635 ( -6.682 -2.634 2.101) 7.483 6.790 ( 1.466 2.011 -4.700) 5.319 6.819 ( 2.414 2.658 0.587) 3.638 6.837 ( 5.595 3.492 3.863) 7.643 6.966 ( 5.227 -7.960 6.731) 11.661 7.097 ( -5.573 7.712 -6.760) 11.671 7.135 ( -2.922 0.999 1.789) 3.569 7.153 ( 0.532 -0.141 -1.127) 1.254 7.270 ( -0.373 3.180 -2.507) 4.067 7.296 ( 2.113 1.394 -1.213) 2.807 7.345 ( 1.813 -7.269 0.686) 7.523 7.420 ( 1.005 4.904 -0.518) 5.033 7.462 ( -1.084 3.367 1.502) 3.843 7.484 ( -2.583 4.195 3.819) 6.233 7.535 ( -1.552 -1.949 1.873) 3.117 7.584 ( -1.564 -4.914 0.102) 5.158 7.663 ( -3.569 -9.301 2.835) 10.358 7.721 ( -1.223 1.730 -3.557) 4.140 7.766 ( 2.498 -1.319 -3.646) 4.612 7.878 ( -5.222 3.198 -5.289) 8.091 7.982 ( -4.521 -5.724 -2.325) 7.656 8.218 ( 7.889 5.637 5.153) 10.980 8.258 ( 2.985 1.508 -1.672) 3.739 8.372 ( -0.696 0.622 3.664) 3.781 8.383 ( -1.302 0.127 2.083) 2.460 8.452 ( 5.232 -0.902 -2.244) 5.764 8.512 ( 3.337 -5.665 -2.435) 7.011 8.614 ( -0.447 3.048 0.270) 3.092 8.675 ( -2.621 -2.299 1.735) 3.895 8.777 ( 3.860 2.404 0.986) 4.653 8.826 ( 1.349 -2.907 -0.602) 3.261 8.868 ( 0.413 2.297 3.204) 3.964 8.909 ( -0.278 -2.056 0.950) 2.282 9.179 ( 0.839 3.728 -1.108) 3.978 9.255 ( 0.882 -3.904 -2.472) 4.704 9.274 ( 0.567 -0.289 -3.097) 3.161 9.324 ( 0.588 -4.506 -2.092) 5.003 9.548 ( -0.990 1.442 2.837) 3.333 9.553 ( -0.618 1.215 1.258) 1.855 9.595 ( -3.857 1.379 2.255) 4.676 9.622 ( -3.599 -1.300 4.577) 5.966 9.746 ( 2.210 0.670 0.342) 2.335 9.760 ( 2.377 -0.828 -0.440) 2.555 9.820 ( 1.757 4.052 2.813) 5.236 9.871 ( -2.866 2.127 3.818) 5.226 9.905 ( 1.206 -2.395 0.836) 2.809 9.964 ( 2.931 -5.029 4.813) 7.553 10.097 ( -3.594 1.671 0.496) 3.994 10.141 ( -1.792 -2.773 1.127) 3.489 10.306 ( 4.895 4.963 -3.166) 7.656 10.386 ( 4.594 -2.770 -2.655) 5.986 10.448 ( -0.416 4.006 0.348) 4.043 10.516 ( -0.597 -2.371 -0.073) 2.447 10.792 ( 3.528 6.472 1.214) 7.471 10.851 ( 3.510 4.074 -1.050) 5.479 10.912 ( -0.352 0.103 -0.110) 0.383 10.944 ( 0.680 3.168 -1.830) 3.721 10.985 ( 1.013 -4.046 0.504) 4.202 11.014 ( -2.748 -0.901 -4.145) 5.054 11.101 ( -5.043 5.535 -3.695) 8.350 11.250 ( -7.258 -6.909 -9.830) 14.037 11.521 ( 1.320 3.901 5.210) 6.641 11.592 ( 3.173 -3.246 3.897) 5.982 11.625 ( -2.051 3.981 3.687) 5.801 11.716 ( -2.050 -4.067 3.122) 5.521 11.818 ( 4.427 5.030 0.254) 6.705 11.911 ( 2.817 -2.130 0.951) 3.658 11.990 ( -4.067 4.026 2.415) 6.211 12.046 ( 2.624 1.799 -3.440) 4.685 12.090 ( -3.034 0.524 1.143) 3.284 12.179 ( -7.114 3.162 0.292) 7.790 12.194 ( 1.065 -2.076 -1.003) 2.540 12.299 ( -1.433 -5.866 -3.324) 6.893 12.343 ( -3.347 -0.645 -0.181) 3.414 12.376 ( 1.354 -2.732 -3.035) 4.302 12.498 ( -3.860 -2.563 -4.270) 6.301 12.625 ( -5.340 -10.736 -2.458) 12.240 13.658 ( 1.877 3.696 1.080) 4.284 13.714 ( 1.832 -0.580 -0.448) 1.973 13.799 ( -2.358 -0.997 2.758) 3.763 13.835 ( -1.528 -3.327 3.078) 4.783 13.977 ( -1.476 4.098 -1.981) 4.785 13.997 ( -2.379 1.473 -1.850) 3.355 14.026 ( -0.450 -1.961 0.197) 2.022 14.050 ( -1.031 -3.192 -1.870) 3.840 14.520 ( 8.671 2.442 2.731) 9.413 14.566 ( 9.473 -2.157 2.715) 10.087 14.639 ( 11.160 2.641 1.256) 11.537 14.677 ( 5.874 -0.771 0.114) 5.926 14.744 ( 2.233 1.569 3.662) 4.567 14.774 ( 1.436 0.294 3.588) 3.876 14.902 ( 1.040 6.551 -1.127) 6.728 14.911 ( 0.317 -0.269 -1.349) 1.412 14.958 ( 2.414 -4.080 -1.489) 4.969 15.005 ( 0.111 -3.651 -1.466) 3.936 15.096 ( -5.533 0.097 1.394) 5.707 15.116 ( -5.273 -1.906 0.865) 5.673 15.462 ( 5.102 5.900 1.499) 7.943 15.562 ( 6.756 -4.421 -1.996) 8.317 15.645 ( -3.780 7.158 -1.223) 8.187 15.737 ( -2.882 -2.766 -2.403) 4.662 21.732 ( 0.079 0.558 2.694) 2.752 21.739 ( 0.074 0.224 3.003) 3.012 21.754 ( -0.860 -0.179 4.966) 5.043 21.772 ( -1.742 -1.671 6.447) 6.884 22.001 ( 3.662 2.572 -1.978) 4.892 22.044 ( 3.754 -1.910 -2.808) 5.063 22.158 ( -4.234 2.670 -2.594) 5.638 22.209 ( -4.451 -2.540 -2.846) 5.862 22.331 ( 2.442 2.439 1.046) 3.606 22.386 ( 2.679 -3.257 1.129) 4.365 22.474 ( -2.725 1.927 -2.561) 4.207 22.493 ( -5.790 0.381 -0.833) 5.862 22.586 ( -3.710 1.689 1.118) 4.227 22.602 ( -2.033 -0.549 -0.280) 2.124 22.661 ( -4.780 -1.660 0.558) 5.090 22.679 ( -6.018 -3.224 0.010) 6.827 23.290 ( 6.083 1.742 1.612) 6.530 23.319 ( 6.519 -1.163 2.357) 7.029 23.388 ( 2.110 0.809 3.393) 4.077 23.400 ( 4.027 -0.165 3.079) 5.072 23.547 ( 7.689 5.349 -2.066) 9.592 23.660 ( 8.765 -6.047 -4.475) 11.551 23.753 ( -2.756 4.228 -4.370) 6.676 23.836 ( -1.683 -4.120 -5.210) 6.852 25.109 ( 6.029 2.763 2.866) 7.225 25.168 ( 6.071 -3.337 1.604) 7.111 25.303 ( -1.094 1.539 0.916) 2.099 25.329 ( 0.898 -0.914 -0.805) 1.514 25.450 ( 5.340 1.963 2.213) 6.104 25.514 ( 6.171 -4.826 0.140) 7.836 25.771 ( -5.400 1.128 -4.092) 6.869 25.796 ( -7.827 -1.340 -3.759) 8.785 26.798 ( 3.299 0.763 5.815) 6.729 26.830 ( 3.451 -2.640 6.163) 7.541 26.968 ( -5.261 1.601 5.394) 7.703 27.007 ( -5.160 -2.601 4.488) 7.316 27.105 ( 4.424 5.148 -1.778) 7.017 27.217 ( 3.366 -6.505 -2.256) 7.663 27.309 ( -5.581 4.013 -2.056) 7.176 27.380 ( -4.866 -3.084 -3.227) 6.603 28.555 ( 6.012 7.335 1.182) 9.558 28.642 ( 3.020 1.762 0.303) 3.509 28.675 ( 1.041 2.762 0.938) 3.097 28.737 ( -2.040 0.447 -0.040) 2.089 29.097 ( 3.866 8.600 -1.955) 9.629 29.313 ( -3.911 -4.261 -6.281) 8.538 29.333 ( -3.320 -7.268 -5.605) 9.760 29.387 ( -8.869 -4.914 -4.728) 11.188 30.826 ( 2.266 1.984 1.175) 3.233 30.864 ( 2.357 -1.968 1.464) 3.401 30.918 ( -2.258 2.081 2.529) 3.978 30.925 ( 2.309 2.305 -0.704) 3.338 30.988 ( -2.245 -2.547 4.557) 5.683 31.001 ( 3.717 -2.863 -0.367) 4.707 31.087 ( -3.883 4.640 -0.726) 6.094 31.179 ( -4.883 -4.840 -0.806) 6.923 39.650 ( 1.468 1.692 0.311) 2.262 39.674 ( 1.305 0.097 0.025) 1.309 39.695 ( 1.053 0.149 -0.533) 1.189 39.702 ( 0.016 0.025 -0.400) 0.401 39.741 ( 0.694 -0.445 0.892) 1.215 39.750 ( -0.778 -0.956 1.105) 1.655 39.816 ( -3.270 0.777 -0.912) 3.483 39.829 ( -3.014 -0.479 -0.842) 3.166 70.610 ( 27.058 5.181 3.257) 27.741 70.695 ( 27.889 -2.483 4.541) 28.365 71.140 ( 33.095 17.916 -8.617) 38.607 71.578 ( 19.049 -20.019 -12.719) 30.420 71.665 ( -4.815 -6.629 -0.867) 8.239 71.715 ( -22.122 -3.753 6.977) 23.498 72.202 ( -20.881 17.704 -7.247) 28.319 72.567 ( -15.539 -19.984 -11.740) 27.904 105.132 ( 1.026 0.527 0.601) 1.301 105.144 ( 1.194 -0.753 0.592) 1.531 105.162 ( -0.340 0.135 0.984) 1.050 105.167 ( 0.089 -0.273 0.509) 0.585 105.223 ( 0.605 0.542 -0.655) 1.043 105.233 ( -0.049 -0.476 -0.424) 0.639 105.262 ( -1.590 0.664 -0.935) 1.960 105.270 ( -1.509 -0.179 -0.807) 1.721 ======================= Grid point 52 (24/36) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -8.729 7.999 14.661) 18.844 1.878 ( 8.729 7.999 14.661) 18.844 2.048 ( -5.816 -9.033 11.260) 15.563 2.048 ( 5.816 -9.033 11.260) 15.563 2.500 ( -5.956 10.686 6.945) 14.067 2.500 ( 5.956 10.686 6.945) 14.067 2.631 ( -3.279 -2.115 0.234) 3.909 2.631 ( 3.279 -2.115 0.234) 3.909 2.812 ( -1.701 3.728 -1.270) 4.290 2.812 ( 1.701 3.728 -1.270) 4.290 2.932 ( -3.676 -9.194 1.179) 9.972 2.932 ( 3.676 -9.194 1.179) 9.972 3.220 ( -2.561 11.489 1.643) 11.885 3.220 ( 2.561 11.489 1.643) 11.885 3.400 ( -6.222 -5.765 -6.622) 10.761 3.400 ( 6.222 -5.765 -6.622) 10.761 3.654 ( -2.232 7.490 3.676) 8.637 3.654 ( 2.232 7.490 3.676) 8.637 3.835 ( -0.206 -6.031 0.246) 6.040 3.835 ( 0.206 -6.031 0.246) 6.040 3.949 ( -10.622 7.496 -2.050) 13.161 3.949 ( 10.622 7.496 -2.050) 13.161 4.064 ( -7.991 -2.148 1.299) 8.376 4.064 ( 7.991 -2.148 1.299) 8.376 4.390 ( -8.076 2.130 -12.089) 14.693 4.390 ( 8.076 2.130 -12.089) 14.693 4.440 ( -6.314 -0.469 -6.220) 8.876 4.440 ( 6.314 -0.469 -6.220) 8.876 4.647 ( -2.492 4.258 -0.509) 4.960 4.647 ( 2.492 4.258 -0.509) 4.960 4.767 ( -6.544 -5.376 -1.221) 8.556 4.767 ( 6.544 -5.376 -1.221) 8.556 4.912 ( -6.789 2.843 3.194) 8.023 4.912 ( 6.789 2.843 3.194) 8.023 4.949 ( -5.113 -0.355 -0.498) 5.149 4.949 ( 5.113 -0.355 -0.498) 5.149 5.107 ( -5.656 0.560 6.970) 8.994 5.107 ( 5.656 0.560 6.970) 8.994 5.200 ( -7.952 -4.057 6.108) 10.817 5.200 ( 7.952 -4.057 6.108) 10.817 5.341 ( -7.725 7.775 -0.415) 10.968 5.341 ( 7.725 7.775 -0.415) 10.968 5.487 ( -7.822 -6.415 -3.415) 10.677 5.487 ( 7.822 -6.415 -3.415) 10.677 5.554 ( -2.390 2.265 -0.668) 3.360 5.554 ( 2.390 2.265 -0.668) 3.360 5.659 ( -0.897 -7.738 2.048) 8.055 5.659 ( 0.897 -7.738 2.048) 8.055 5.723 ( -7.230 4.374 -5.330) 9.991 5.723 ( 7.230 4.374 -5.330) 9.991 5.914 ( -9.158 -10.468 -13.347) 19.276 5.914 ( 9.158 -10.468 -13.347) 19.276 6.024 ( -8.396 6.256 -2.232) 10.706 6.024 ( 8.396 6.256 -2.232) 10.706 6.186 ( -5.691 -7.855 -1.201) 9.774 6.186 ( 5.691 -7.855 -1.201) 9.774 6.407 ( -1.783 6.661 3.065) 7.546 6.407 ( 1.783 6.661 3.065) 7.546 6.535 ( -1.847 -4.818 2.684) 5.816 6.535 ( 1.847 -4.818 2.684) 5.816 6.857 ( -3.135 4.718 -0.622) 5.699 6.857 ( 3.135 4.718 -0.622) 5.699 6.930 ( -1.892 -0.132 4.722) 5.088 6.930 ( 1.892 -0.132 4.722) 5.088 7.091 ( -3.487 2.854 2.119) 4.979 7.091 ( 3.487 2.854 2.119) 4.979 7.197 ( -4.915 -4.173 0.277) 6.453 7.197 ( 4.915 -4.173 0.277) 6.453 7.339 ( -4.331 7.925 0.778) 9.064 7.339 ( 4.331 7.925 0.778) 9.064 7.431 ( -2.243 2.239 0.792) 3.267 7.431 ( 2.243 2.239 0.792) 3.267 7.508 ( -2.668 -1.846 0.346) 3.263 7.508 ( 2.668 -1.846 0.346) 3.263 7.592 ( -1.916 -7.662 -0.113) 7.899 7.592 ( 1.916 -7.662 -0.113) 7.899 7.758 ( -3.536 5.015 -5.612) 8.315 7.758 ( 3.536 5.015 -5.612) 8.315 7.877 ( -5.432 -6.350 -5.784) 10.163 7.877 ( 5.432 -6.350 -5.784) 10.163 8.315 ( -3.354 2.943 0.895) 4.551 8.315 ( 3.354 2.943 0.895) 4.551 8.342 ( -3.195 1.346 3.567) 4.975 8.342 ( 3.195 1.346 3.567) 4.975 8.559 ( -5.062 -0.042 -3.524) 6.168 8.559 ( 5.062 -0.042 -3.524) 6.168 8.598 ( -4.740 -3.327 -1.418) 5.962 8.598 ( 4.740 -3.327 -1.418) 5.962 8.844 ( -2.914 1.972 2.773) 4.480 8.844 ( 2.914 1.972 2.773) 4.480 8.878 ( -3.172 -1.687 2.113) 4.168 8.878 ( 3.172 -1.687 2.113) 4.168 9.226 ( -3.046 3.308 0.118) 4.499 9.226 ( 3.046 3.308 0.118) 4.499 9.306 ( -1.945 -5.349 -2.957) 6.414 9.306 ( 1.945 -5.349 -2.957) 6.414 9.543 ( -1.129 1.581 2.178) 2.919 9.543 ( 1.129 1.581 2.178) 2.919 9.564 ( -1.996 -0.674 2.547) 3.306 9.564 ( 1.996 -0.674 2.547) 3.306 9.799 ( -2.571 1.009 2.103) 3.471 9.799 ( 2.571 1.009 2.103) 3.471 9.813 ( -3.410 -0.268 -0.522) 3.460 9.813 ( 3.410 -0.268 -0.522) 3.460 9.985 ( -6.599 2.979 3.309) 7.961 9.985 ( 6.599 2.979 3.309) 7.961 10.072 ( -5.250 -5.411 3.686) 8.392 10.072 ( 5.250 -5.411 3.686) 8.392 10.399 ( -4.200 4.636 -2.562) 6.760 10.399 ( 4.200 4.636 -2.562) 6.760 10.470 ( -3.771 -2.346 -1.601) 4.720 10.470 ( 3.771 -2.346 -1.601) 4.720 10.839 ( -1.997 8.630 0.210) 8.860 10.839 ( 1.997 8.630 0.210) 8.860 10.957 ( -2.108 -2.353 -2.510) 4.035 10.957 ( 2.108 -2.353 -2.510) 4.035 10.996 ( -4.986 2.489 -1.866) 5.877 10.996 ( 4.986 2.489 -1.866) 5.877 11.097 ( -7.776 -5.952 -3.496) 10.398 11.097 ( 7.776 -5.952 -3.496) 10.398 11.570 ( -3.397 4.842 4.980) 7.732 11.570 ( 3.397 4.842 4.980) 7.732 11.661 ( -3.753 -3.379 3.822) 6.334 11.661 ( 3.753 -3.379 3.822) 6.334 11.917 ( -4.758 2.327 0.858) 5.366 11.917 ( 4.758 2.327 0.858) 5.366 11.958 ( -4.543 -0.529 1.834) 4.927 11.958 ( 4.543 -0.529 1.834) 4.927 12.118 ( -2.470 4.817 -3.438) 6.413 12.118 ( 2.470 4.817 -3.438) 6.413 12.257 ( -3.621 -9.410 -2.194) 10.318 12.257 ( 3.621 -9.410 -2.194) 10.318 12.338 ( -3.210 7.149 -1.296) 7.943 12.338 ( 3.210 7.149 -1.296) 7.943 12.523 ( -4.995 -11.431 -3.752) 13.027 12.523 ( 4.995 -11.431 -3.752) 13.027 13.706 ( -2.754 4.095 2.138) 5.379 13.706 ( 2.754 4.095 2.138) 5.379 13.797 ( -2.174 -5.239 1.351) 5.831 13.797 ( 2.174 -5.239 1.351) 5.831 13.967 ( -0.598 3.485 -1.936) 4.031 13.967 ( 0.598 3.485 -1.936) 4.031 14.029 ( -0.858 -2.896 -1.150) 3.232 14.029 ( 0.858 -2.896 -1.150) 3.232 14.646 ( -4.697 3.321 2.623) 6.322 14.646 ( 4.697 3.321 2.623) 6.322 14.699 ( -3.796 -1.280 2.404) 4.672 14.699 ( 3.796 -1.280 2.404) 4.672 14.855 ( -6.277 3.023 0.568) 6.990 14.855 ( 6.277 3.023 0.568) 6.990 14.921 ( -6.156 -3.210 1.040) 7.020 14.921 ( 6.156 -3.210 1.040) 7.020 14.960 ( -1.947 2.472 2.881) 4.266 14.960 ( 1.947 2.472 2.881) 4.266 15.024 ( -2.191 -3.763 0.194) 4.359 15.024 ( 2.191 -3.763 0.194) 4.359 15.562 ( -5.134 7.395 -1.970) 9.216 15.562 ( 5.134 7.395 -1.970) 9.216 15.669 ( -4.664 -3.821 -3.799) 7.126 15.669 ( 4.664 -3.821 -3.799) 7.126 21.737 ( -0.348 0.564 3.771) 3.829 21.737 ( 0.348 0.564 3.771) 3.829 21.751 ( -0.557 -0.940 4.254) 4.392 21.751 ( 0.557 -0.940 4.254) 4.392 22.076 ( -4.230 2.742 -2.453) 5.606 22.076 ( 4.230 2.742 -2.453) 5.606 22.124 ( -4.440 -2.262 -3.047) 5.841 22.124 ( 4.440 -2.262 -3.047) 5.841 22.395 ( -4.461 2.261 0.348) 5.014 22.395 ( 4.461 2.261 0.348) 5.014 22.432 ( -2.205 -1.125 -0.342) 2.499 22.432 ( 2.205 -1.125 -0.342) 2.499 22.581 ( -2.902 -0.284 0.034) 2.916 22.581 ( 2.902 -0.284 0.034) 2.916 22.605 ( -1.896 -2.289 -0.236) 2.981 22.605 ( 1.896 -2.289 -0.236) 2.981 23.374 ( -2.469 2.108 2.281) 3.968 23.374 ( 2.469 2.108 2.281) 3.968 23.412 ( -2.137 -1.846 3.324) 4.362 23.412 ( 2.137 -1.846 3.324) 4.362 23.674 ( -5.632 5.819 -3.585) 8.856 23.674 ( 5.632 5.819 -3.585) 8.856 23.782 ( -4.406 -5.375 -4.572) 8.319 23.782 ( 4.406 -5.375 -4.572) 8.319 25.221 ( -5.570 2.745 3.185) 6.979 25.221 ( 5.570 2.745 3.185) 6.979 25.276 ( -4.690 -2.839 2.074) 5.861 25.276 ( 4.690 -2.839 2.074) 5.861 25.617 ( -10.235 1.410 -2.592) 10.652 25.617 ( 10.235 1.410 -2.592) 10.652 25.656 ( -7.786 -2.756 -3.980) 9.168 25.656 ( 7.786 -2.756 -3.980) 9.168 26.873 ( -4.749 1.147 5.998) 7.736 26.873 ( 4.749 1.147 5.998) 7.736 26.910 ( -5.057 -2.732 5.196) 7.748 26.910 ( 5.057 -2.732 5.196) 7.748 27.200 ( -5.714 4.886 -1.999) 7.779 27.200 ( 5.714 4.886 -1.999) 7.779 27.293 ( -4.476 -4.656 -2.792) 7.036 27.293 ( 4.476 -4.656 -2.792) 7.036 28.655 ( -3.716 6.125 0.895) 7.220 28.655 ( 3.716 6.125 0.895) 7.220 28.689 ( -1.793 3.347 0.413) 3.819 28.689 ( 1.793 3.347 0.413) 3.819 29.206 ( -7.466 0.692 -3.066) 8.101 29.206 ( 7.466 0.692 -3.066) 8.101 29.299 ( -0.416 -8.365 -5.420) 9.976 29.299 ( 0.416 -8.365 -5.420) 9.976 30.872 ( -2.584 2.060 1.838) 3.781 30.872 ( 2.584 2.060 1.838) 3.781 30.912 ( -2.599 -1.997 2.281) 3.993 30.912 ( 2.599 -1.997 2.281) 3.993 31.013 ( -3.818 3.420 -0.370) 5.138 31.013 ( 3.818 3.420 -0.370) 5.138 31.085 ( -5.072 -3.909 -0.902) 6.467 31.085 ( 5.072 -3.909 -0.902) 6.467 39.678 ( -1.520 1.486 0.215) 2.137 39.678 ( 1.520 1.486 0.215) 2.137 39.699 ( -1.233 -0.402 -0.235) 1.318 39.699 ( 1.233 -0.402 -0.235) 1.318 39.762 ( -2.389 0.264 0.155) 2.408 39.762 ( 2.389 0.264 0.155) 2.408 39.777 ( -2.511 -0.995 -0.165) 2.706 39.777 ( 2.511 -0.995 -0.165) 2.706 71.140 ( -28.972 4.620 4.303) 29.652 71.140 ( 28.972 4.620 4.303) 29.652 71.228 ( -28.317 -3.764 6.041) 29.198 71.228 ( 28.317 -3.764 6.041) 29.198 71.737 ( -29.100 20.140 -8.133) 36.312 71.737 ( 29.100 20.140 -8.133) 36.312 72.192 ( -25.598 -26.867 -15.500) 40.216 72.192 ( 25.598 -26.867 -15.500) 40.216 105.150 ( -0.885 0.520 0.811) 1.308 105.150 ( 0.885 0.520 0.811) 1.308 105.162 ( -0.661 -0.750 0.632) 1.182 105.162 ( 0.661 -0.750 0.632) 1.182 105.238 ( -0.951 0.437 -0.747) 1.286 105.238 ( 0.951 0.437 -0.747) 1.286 105.244 ( -1.178 -0.127 -0.728) 1.391 105.244 ( 1.178 -0.127 -0.728) 1.391 ======================= Grid point 70 (25/36) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 0.000 0.000 32.393) 32.393 1.522 ( 0.000 0.000 34.153) 34.153 2.122 ( 0.000 0.000 -21.598) 21.598 2.207 ( 0.000 0.000 -29.551) 29.551 2.663 ( 0.000 0.000 4.829) 4.829 2.666 ( 0.000 0.000 40.522) 40.522 2.772 ( 0.000 0.000 1.225) 1.225 2.784 ( 0.000 0.000 -6.495) 6.495 2.820 ( 0.000 0.000 8.202) 8.202 3.075 ( 0.000 0.000 4.462) 4.462 3.105 ( 0.000 0.000 1.644) 1.644 3.214 ( 0.000 0.000 9.490) 9.490 3.294 ( 0.000 0.000 -1.873) 1.873 3.319 ( 0.000 0.000 12.517) 12.517 3.352 ( 0.000 0.000 1.742) 1.742 3.364 ( 0.000 0.000 -11.166) 11.166 3.589 ( 0.000 0.000 -9.548) 9.548 3.687 ( 0.000 0.000 -17.798) 17.798 3.712 ( 0.000 0.000 5.115) 5.115 3.824 ( 0.000 0.000 4.147) 4.147 3.858 ( 0.000 0.000 -10.653) 10.653 3.929 ( 0.000 0.000 -9.004) 9.004 3.965 ( 0.000 0.000 5.531) 5.531 4.039 ( 0.000 0.000 5.620) 5.620 4.041 ( 0.000 0.000 2.121) 2.121 4.101 ( 0.000 0.000 -3.993) 3.993 4.163 ( 0.000 0.000 1.505) 1.505 4.260 ( 0.000 0.000 -5.592) 5.592 4.417 ( 0.000 0.000 10.965) 10.965 4.500 ( 0.000 0.000 11.084) 11.084 4.572 ( 0.000 0.000 -5.890) 5.890 4.708 ( 0.000 0.000 13.046) 13.046 4.713 ( 0.000 0.000 -5.044) 5.044 4.715 ( 0.000 0.000 -4.984) 4.984 4.846 ( 0.000 0.000 -18.009) 18.009 4.948 ( 0.000 0.000 0.119) 0.119 4.959 ( 0.000 0.000 -1.956) 1.956 5.085 ( 0.000 0.000 -18.558) 18.558 5.104 ( 0.000 0.000 0.969) 0.969 5.181 ( 0.000 0.000 -6.925) 6.925 5.240 ( 0.000 0.000 5.717) 5.717 5.393 ( 0.000 0.000 -6.780) 6.780 5.576 ( 0.000 0.000 8.426) 8.426 5.616 ( 0.000 0.000 -3.250) 3.250 5.627 ( 0.000 0.000 -3.093) 3.093 5.663 ( 0.000 0.000 4.192) 4.192 5.722 ( 0.000 0.000 4.004) 4.004 5.755 ( 0.000 0.000 2.393) 2.393 5.808 ( 0.000 0.000 6.563) 6.563 5.892 ( 0.000 0.000 -9.245) 9.245 5.913 ( 0.000 0.000 -5.089) 5.089 5.971 ( 0.000 0.000 -6.709) 6.709 6.121 ( 0.000 0.000 -0.349) 0.349 6.154 ( 0.000 0.000 -2.967) 2.967 6.301 ( 0.000 0.000 4.543) 4.543 6.331 ( 0.000 0.000 1.171) 1.171 6.541 ( 0.000 0.000 2.620) 2.620 6.595 ( 0.000 0.000 -0.251) 0.251 6.706 ( 0.000 0.000 -0.971) 0.971 6.752 ( 0.000 0.000 2.659) 2.659 6.768 ( 0.000 0.000 -7.380) 7.380 6.791 ( 0.000 0.000 0.929) 0.929 6.892 ( 0.000 0.000 2.192) 2.192 6.924 ( 0.000 0.000 0.640) 0.640 7.042 ( 0.000 0.000 4.419) 4.419 7.044 ( 0.000 0.000 5.024) 5.024 7.093 ( 0.000 0.000 10.862) 10.862 7.245 ( 0.000 0.000 -2.060) 2.060 7.247 ( 0.000 0.000 -3.130) 3.130 7.302 ( 0.000 0.000 -4.810) 4.810 7.363 ( 0.000 0.000 0.272) 0.272 7.388 ( 0.000 0.000 -4.900) 4.900 7.459 ( 0.000 0.000 7.433) 7.433 7.586 ( 0.000 0.000 -2.929) 2.929 7.626 ( 0.000 0.000 10.379) 10.379 7.811 ( 0.000 0.000 -7.135) 7.135 7.912 ( 0.000 0.000 1.996) 1.996 7.932 ( 0.000 0.000 -0.005) 0.005 7.935 ( 0.000 0.000 1.996) 1.996 8.001 ( 0.000 0.000 -2.584) 2.584 8.227 ( 0.000 0.000 3.574) 3.574 8.250 ( 0.000 0.000 0.170) 0.170 8.314 ( 0.000 0.000 4.162) 4.162 8.463 ( 0.000 0.000 4.712) 4.712 8.498 ( 0.000 0.000 -11.114) 11.114 8.499 ( 0.000 0.000 2.828) 2.828 8.569 ( 0.000 0.000 1.215) 1.215 8.615 ( 0.000 0.000 -11.304) 11.304 8.655 ( 0.000 0.000 -3.234) 3.234 8.766 ( 0.000 0.000 2.646) 2.646 8.787 ( 0.000 0.000 -7.978) 7.978 8.799 ( 0.000 0.000 -1.783) 1.783 9.239 ( 0.000 0.000 0.322) 0.322 9.248 ( 0.000 0.000 -2.667) 2.667 9.346 ( 0.000 0.000 1.487) 1.487 9.354 ( 0.000 0.000 1.345) 1.345 9.458 ( 0.000 0.000 2.404) 2.404 9.564 ( 0.000 0.000 -5.296) 5.296 9.676 ( 0.000 0.000 2.796) 2.796 9.697 ( 0.000 0.000 5.001) 5.001 9.708 ( 0.000 0.000 -0.169) 0.169 9.759 ( 0.000 0.000 -0.456) 0.456 9.939 ( 0.000 0.000 7.459) 7.459 10.018 ( 0.000 0.000 0.394) 0.394 10.024 ( 0.000 0.000 -2.101) 2.101 10.028 ( 0.000 0.000 3.056) 3.056 10.055 ( 0.000 0.000 -3.063) 3.063 10.106 ( 0.000 0.000 -3.712) 3.712 10.270 ( 0.000 0.000 1.669) 1.669 10.312 ( 0.000 0.000 0.524) 0.524 10.324 ( 0.000 0.000 -1.406) 1.406 10.325 ( 0.000 0.000 -0.540) 0.540 10.586 ( 0.000 0.000 3.574) 3.574 10.672 ( 0.000 0.000 -4.491) 4.491 10.793 ( 0.000 0.000 8.033) 8.033 10.808 ( 0.000 0.000 2.275) 2.275 10.868 ( 0.000 0.000 -2.614) 2.614 10.967 ( 0.000 0.000 -7.314) 7.314 11.437 ( 0.000 0.000 1.182) 1.182 11.444 ( 0.000 0.000 0.618) 0.618 11.529 ( 0.000 0.000 2.191) 2.191 11.578 ( 0.000 0.000 -2.040) 2.040 11.580 ( 0.000 0.000 -2.181) 2.181 11.584 ( 0.000 0.000 -2.579) 2.579 11.687 ( 0.000 0.000 2.992) 2.992 11.739 ( 0.000 0.000 -1.372) 1.372 12.083 ( 0.000 0.000 1.709) 1.709 12.132 ( 0.000 0.000 1.411) 1.411 12.163 ( 0.000 0.000 4.144) 4.144 12.194 ( 0.000 0.000 4.227) 4.227 12.321 ( 0.000 0.000 -0.067) 0.067 12.366 ( 0.000 0.000 -8.303) 8.303 12.430 ( 0.000 0.000 3.450) 3.450 12.550 ( 0.000 0.000 -4.712) 4.712 12.842 ( 0.000 0.000 5.448) 5.448 12.967 ( 0.000 0.000 -5.792) 5.792 13.743 ( 0.000 0.000 1.438) 1.438 13.791 ( 0.000 0.000 -3.139) 3.139 13.856 ( 0.000 0.000 3.483) 3.483 13.894 ( 0.000 0.000 0.369) 0.369 13.905 ( 0.000 0.000 1.606) 1.606 13.967 ( 0.000 0.000 0.873) 0.873 13.976 ( 0.000 0.000 -4.021) 4.021 13.986 ( 0.000 0.000 -0.219) 0.219 14.158 ( 0.000 0.000 0.622) 0.622 14.175 ( 0.000 0.000 -1.074) 1.074 14.508 ( 0.000 0.000 3.244) 3.244 14.537 ( 0.000 0.000 1.432) 1.432 14.619 ( 0.000 0.000 1.455) 1.455 14.666 ( 0.000 0.000 -2.940) 2.940 14.838 ( 0.000 0.000 2.380) 2.380 14.867 ( 0.000 0.000 -0.915) 0.915 15.022 ( 0.000 0.000 -0.209) 0.209 15.056 ( 0.000 0.000 -4.281) 4.281 15.153 ( 0.000 0.000 5.625) 5.625 15.261 ( 0.000 0.000 -4.204) 4.204 15.334 ( 0.000 0.000 4.296) 4.296 15.413 ( 0.000 0.000 -3.055) 3.055 15.572 ( 0.000 0.000 8.248) 8.248 15.717 ( 0.000 0.000 -5.104) 5.104 21.751 ( 0.000 0.000 1.675) 1.675 21.797 ( 0.000 0.000 -2.515) 2.515 21.802 ( 0.000 0.000 4.634) 4.634 21.908 ( 0.000 0.000 -5.046) 5.046 21.935 ( 0.000 0.000 7.567) 7.567 22.088 ( 0.000 0.000 -6.321) 6.321 22.296 ( 0.000 0.000 1.173) 1.173 22.327 ( 0.000 0.000 -1.689) 1.689 22.377 ( 0.000 0.000 4.651) 4.651 22.489 ( 0.000 0.000 -5.772) 5.772 22.550 ( 0.000 0.000 0.241) 0.241 22.564 ( 0.000 0.000 -1.059) 1.059 22.737 ( 0.000 0.000 1.008) 1.008 22.739 ( 0.000 0.000 0.736) 0.736 22.880 ( 0.000 0.000 2.001) 2.001 22.907 ( 0.000 0.000 -0.224) 0.224 23.089 ( 0.000 0.000 -0.510) 0.510 23.089 ( 0.000 0.000 -0.852) 0.852 23.123 ( 0.000 0.000 1.268) 1.268 23.155 ( 0.000 0.000 -1.380) 1.380 23.467 ( 0.000 0.000 5.670) 5.670 23.492 ( 0.000 0.000 10.714) 10.714 23.597 ( 0.000 0.000 -6.375) 6.375 23.724 ( 0.000 0.000 -10.553) 10.553 25.032 ( 0.000 0.000 4.344) 4.344 25.060 ( 0.000 0.000 2.552) 2.552 25.110 ( 0.000 0.000 -2.041) 2.041 25.117 ( 0.000 0.000 -3.481) 3.481 25.520 ( 0.000 0.000 4.764) 4.764 25.631 ( 0.000 0.000 -5.340) 5.340 25.818 ( 0.000 0.000 5.835) 5.835 25.942 ( 0.000 0.000 -5.399) 5.399 26.797 ( 0.000 0.000 4.087) 4.087 26.882 ( 0.000 0.000 -3.740) 3.740 27.183 ( 0.000 0.000 5.576) 5.576 27.215 ( 0.000 0.000 4.263) 4.263 27.295 ( 0.000 0.000 -4.466) 4.466 27.295 ( 0.000 0.000 -3.105) 3.105 27.420 ( 0.000 0.000 -0.213) 0.213 27.421 ( 0.000 0.000 -0.371) 0.371 28.309 ( 0.000 0.000 2.529) 2.529 28.373 ( 0.000 0.000 -3.403) 3.403 28.691 ( 0.000 0.000 3.667) 3.667 28.730 ( 0.000 0.000 4.050) 4.050 28.767 ( 0.000 0.000 -3.317) 3.317 28.814 ( 0.000 0.000 -3.456) 3.456 29.642 ( 0.000 0.000 -1.179) 1.179 29.657 ( 0.000 0.000 -2.338) 2.338 30.758 ( 0.000 0.000 1.342) 1.342 30.787 ( 0.000 0.000 -1.312) 1.312 30.885 ( 0.000 0.000 1.829) 1.829 30.922 ( 0.000 0.000 -1.385) 1.385 30.991 ( 0.000 0.000 1.847) 1.847 31.026 ( 0.000 0.000 -1.206) 1.206 31.432 ( 0.000 0.000 0.830) 0.830 31.452 ( 0.000 0.000 -0.968) 0.968 39.587 ( 0.000 0.000 0.431) 0.431 39.597 ( 0.000 0.000 -0.452) 0.452 39.713 ( 0.000 0.000 0.646) 0.646 39.727 ( 0.000 0.000 -0.572) 0.572 39.775 ( 0.000 0.000 0.290) 0.290 39.783 ( 0.000 0.000 -0.410) 0.410 39.838 ( 0.000 0.000 0.746) 0.746 39.855 ( 0.000 0.000 -0.844) 0.844 69.911 ( 0.000 0.000 1.071) 1.071 69.936 ( 0.000 0.000 -1.233) 1.233 70.299 ( 0.000 0.000 0.514) 0.514 70.319 ( 0.000 0.000 -1.252) 1.252 72.197 ( 0.000 0.000 0.009) 0.009 72.203 ( 0.000 0.000 -0.550) 0.550 72.463 ( 0.000 0.000 15.140) 15.140 72.811 ( 0.000 0.000 -16.514) 16.514 105.121 ( 0.000 0.000 1.003) 1.003 105.135 ( 0.000 0.000 1.115) 1.115 105.142 ( 0.000 0.000 -0.875) 0.875 105.160 ( 0.000 0.000 -1.182) 1.182 105.232 ( 0.000 0.000 0.726) 0.726 105.248 ( 0.000 0.000 -0.708) 0.708 105.273 ( 0.000 0.000 0.533) 0.533 105.286 ( 0.000 0.000 -0.697) 0.697 ======================= Grid point 71 (26/36) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 7.403 0.000 29.410) 30.328 1.613 ( 9.754 0.000 28.292) 29.926 2.151 ( 3.051 0.000 -19.836) 20.069 2.180 ( -2.706 0.000 -24.072) 24.224 2.576 ( -6.443 0.000 9.985) 11.883 2.719 ( 0.948 0.000 10.747) 10.789 2.728 ( -4.901 0.000 0.611) 4.939 2.773 ( -0.797 0.000 -7.327) 7.370 2.924 ( 14.543 0.000 30.501) 33.790 2.963 ( -8.951 0.000 5.687) 10.604 3.032 ( -3.419 0.000 0.158) 3.423 3.222 ( -3.465 0.000 10.877) 11.416 3.292 ( -2.551 0.000 7.751) 8.160 3.377 ( -1.778 0.000 -5.052) 5.356 3.486 ( 13.675 0.000 2.614) 13.922 3.525 ( 7.813 0.000 -2.411) 8.176 3.571 ( -1.788 0.000 -3.865) 4.258 3.641 ( -4.333 0.000 -4.100) 5.966 3.645 ( -9.512 0.000 -3.621) 10.178 3.669 ( -3.882 0.000 -2.280) 4.502 3.787 ( -10.039 0.000 0.609) 10.057 3.809 ( -5.598 0.000 3.916) 6.832 3.944 ( 2.405 0.000 -10.889) 11.152 3.967 ( -5.217 0.000 -5.515) 7.592 3.999 ( 3.067 0.000 -12.406) 12.779 4.025 ( 3.000 0.000 -1.913) 3.559 4.271 ( -2.609 0.000 5.823) 6.381 4.344 ( 5.460 0.000 5.219) 7.553 4.491 ( -2.990 0.000 -1.649) 3.414 4.511 ( -1.477 0.000 -3.274) 3.591 4.618 ( 12.365 0.000 11.199) 16.682 4.665 ( -4.054 0.000 -2.222) 4.623 4.725 ( 1.647 0.000 -3.639) 3.995 4.852 ( -4.919 0.000 -9.389) 10.599 4.882 ( 1.930 0.000 3.855) 4.311 4.963 ( 0.863 0.000 -4.829) 4.906 4.982 ( 19.375 0.000 -2.939) 19.597 5.009 ( 5.270 0.000 -5.375) 7.528 5.228 ( 4.223 0.000 -0.980) 4.335 5.239 ( 4.474 0.000 -4.496) 6.343 5.307 ( -13.320 0.000 -4.707) 14.127 5.329 ( 6.858 0.000 -1.221) 6.965 5.505 ( 4.643 0.000 -2.600) 5.322 5.527 ( 1.070 0.000 -5.681) 5.781 5.542 ( -13.228 0.000 4.609) 14.008 5.607 ( 2.393 0.000 6.258) 6.700 5.671 ( -13.327 0.000 -4.145) 13.957 5.720 ( 0.438 0.000 -2.435) 2.474 5.846 ( -2.673 0.000 4.180) 4.962 5.955 ( -0.894 0.000 -2.763) 2.903 5.986 ( 8.219 0.000 4.636) 9.437 6.051 ( 0.122 0.000 6.784) 6.785 6.132 ( -0.991 0.000 -4.293) 4.406 6.177 ( 6.272 0.000 -5.283) 8.200 6.222 ( -0.599 0.000 5.604) 5.635 6.364 ( 1.095 0.000 -4.193) 4.333 6.514 ( -2.347 0.000 4.187) 4.800 6.524 ( -4.298 0.000 3.845) 5.767 6.603 ( -1.924 0.000 -0.919) 2.133 6.648 ( -9.685 0.000 -3.064) 10.158 6.724 ( -3.280 0.000 -6.893) 7.633 6.744 ( -6.756 0.000 -4.754) 8.261 7.008 ( -7.975 0.000 10.133) 12.895 7.019 ( -0.147 0.000 0.973) 0.985 7.033 ( -1.031 0.000 4.469) 4.586 7.053 ( 7.250 0.000 6.000) 9.410 7.113 ( 10.470 0.000 2.673) 10.806 7.222 ( -3.382 0.000 -5.606) 6.547 7.245 ( -0.980 0.000 -0.583) 1.141 7.323 ( 1.129 0.000 -4.499) 4.639 7.356 ( 0.783 0.000 2.624) 2.739 7.457 ( 1.258 0.000 4.692) 4.858 7.459 ( 6.278 0.000 -6.297) 8.892 7.523 ( -1.215 0.000 0.419) 1.285 7.685 ( 0.444 0.000 3.305) 3.335 7.725 ( -6.586 0.000 -1.679) 6.797 7.868 ( -4.152 0.000 -0.088) 4.152 7.871 ( -4.191 0.000 -0.764) 4.260 7.918 ( -3.701 0.000 1.542) 4.009 7.954 ( -2.711 0.000 -2.026) 3.385 8.254 ( 0.335 0.000 1.487) 1.524 8.263 ( 1.496 0.000 2.273) 2.721 8.310 ( -0.615 0.000 -0.221) 0.654 8.357 ( -0.791 0.000 -2.668) 2.783 8.501 ( 1.982 0.000 5.398) 5.750 8.605 ( 1.382 0.000 -7.930) 8.050 8.640 ( 3.565 0.000 2.894) 4.592 8.669 ( 5.156 0.000 0.962) 5.245 8.741 ( 1.307 0.000 -4.300) 4.494 8.771 ( 5.841 0.000 -3.019) 6.575 8.799 ( 3.105 0.000 3.348) 4.566 8.850 ( 1.531 0.000 -3.962) 4.248 9.147 ( -2.850 0.000 1.164) 3.078 9.199 ( -7.867 0.000 -2.326) 8.204 9.323 ( 3.026 0.000 -2.348) 3.830 9.327 ( 2.195 0.000 -2.519) 3.341 9.523 ( -3.119 0.000 -1.049) 3.291 9.552 ( 2.745 0.000 -3.799) 4.687 9.630 ( -1.719 0.000 4.059) 4.408 9.695 ( -1.502 0.000 5.880) 6.069 9.701 ( 0.031 0.000 -2.089) 2.090 9.778 ( 1.161 0.000 -0.802) 1.411 9.931 ( -3.197 0.000 6.300) 7.064 9.951 ( -5.338 0.000 0.244) 5.344 9.979 ( -1.358 0.000 1.932) 2.362 10.036 ( -1.318 0.000 1.823) 2.250 10.114 ( 5.936 0.000 0.063) 5.936 10.174 ( 4.221 0.000 -2.635) 4.976 10.273 ( -2.170 0.000 2.891) 3.615 10.278 ( 2.748 0.000 2.675) 3.835 10.390 ( 4.215 0.000 -3.245) 5.320 10.399 ( 4.202 0.000 -2.462) 4.871 10.589 ( 0.219 0.000 3.599) 3.605 10.679 ( 0.774 0.000 -4.728) 4.791 10.785 ( -1.410 0.000 6.226) 6.383 10.840 ( 2.641 0.000 1.844) 3.221 10.890 ( 2.947 0.000 -2.170) 3.660 10.932 ( -2.129 0.000 -6.000) 6.366 11.388 ( -9.007 0.000 0.413) 9.017 11.402 ( -7.285 0.000 -0.182) 7.288 11.477 ( 2.926 0.000 2.054) 3.575 11.493 ( 5.276 0.000 0.459) 5.296 11.669 ( 4.089 0.000 1.908) 4.512 11.707 ( 3.304 0.000 -1.725) 3.727 11.715 ( 2.294 0.000 0.816) 2.435 11.753 ( 1.531 0.000 -1.807) 2.368 12.082 ( 0.560 0.000 1.938) 2.017 12.120 ( -0.738 0.000 3.449) 3.527 12.192 ( -3.452 0.000 1.320) 3.696 12.204 ( 0.164 0.000 2.441) 2.447 12.246 ( -4.698 0.000 0.343) 4.711 12.301 ( 0.074 0.000 -8.541) 8.541 12.471 ( 1.270 0.000 3.719) 3.930 12.591 ( -4.321 0.000 -4.659) 6.354 12.652 ( -9.212 0.000 4.226) 10.135 12.814 ( -12.653 0.000 -8.028) 14.985 13.695 ( -2.309 0.000 1.423) 2.712 13.743 ( -2.622 0.000 -3.319) 4.230 13.811 ( -1.305 0.000 4.717) 4.894 13.891 ( 0.039 0.000 -1.909) 1.909 13.968 ( 1.925 0.000 2.030) 2.797 13.974 ( -0.257 0.000 1.023) 1.055 14.123 ( 6.327 0.000 1.023) 6.409 14.156 ( 4.610 0.000 -0.919) 4.700 14.277 ( 13.537 0.000 -0.125) 13.538 14.298 ( 18.559 0.000 -2.232) 18.693 14.545 ( 3.925 0.000 3.856) 5.502 14.577 ( 2.510 0.000 1.831) 3.108 14.610 ( 2.734 0.000 -1.799) 3.273 14.635 ( -0.114 0.000 -2.900) 2.902 14.823 ( -0.991 0.000 2.897) 3.061 14.871 ( -2.137 0.000 -1.224) 2.462 15.027 ( 2.981 0.000 1.545) 3.358 15.087 ( 2.717 0.000 -4.262) 5.055 15.214 ( 4.371 0.000 4.036) 5.950 15.286 ( -5.011 0.000 4.266) 6.581 15.322 ( 5.588 0.000 -5.741) 8.011 15.366 ( -5.131 0.000 -3.183) 6.038 15.545 ( -2.887 0.000 8.417) 8.898 15.697 ( -2.119 0.000 -5.621) 6.008 21.761 ( 1.095 0.000 2.190) 2.448 21.808 ( 0.688 0.000 4.889) 4.937 21.816 ( 2.013 0.000 -2.802) 3.450 21.920 ( 1.334 0.000 -5.349) 5.513 21.922 ( -1.264 0.000 7.265) 7.374 22.069 ( -1.947 0.000 -6.002) 6.310 22.234 ( -9.901 0.000 4.790) 10.998 22.300 ( -3.774 0.000 -2.200) 4.368 22.320 ( -3.349 0.000 3.206) 4.636 22.404 ( -6.110 0.000 -4.154) 7.388 22.506 ( 0.020 0.000 3.820) 3.820 22.570 ( 1.587 0.000 -2.519) 2.977 22.615 ( -7.957 0.000 1.002) 8.020 22.633 ( -7.905 0.000 -0.422) 7.916 22.838 ( -4.072 0.000 1.797) 4.451 22.872 ( -4.471 0.000 -1.405) 4.687 23.150 ( 6.048 0.000 -0.030) 6.048 23.153 ( 8.094 0.000 -0.522) 8.110 23.255 ( 9.736 0.000 4.610) 10.772 23.391 ( 13.888 0.000 -8.085) 16.070 23.474 ( 1.323 0.000 6.886) 7.012 23.539 ( 3.667 0.000 8.179) 8.963 23.604 ( 0.975 0.000 -5.639) 5.722 23.741 ( 1.526 0.000 -9.835) 9.953 25.057 ( 3.240 0.000 4.332) 5.409 25.144 ( 3.867 0.000 -3.543) 5.245 25.146 ( 7.609 0.000 0.214) 7.612 25.164 ( 4.616 0.000 -1.220) 4.774 25.518 ( -0.332 0.000 4.528) 4.540 25.619 ( -1.429 0.000 -4.389) 4.616 25.777 ( -4.105 0.000 4.325) 5.963 25.887 ( -5.816 0.000 -5.178) 7.787 26.822 ( 2.704 0.000 3.871) 4.722 26.901 ( 2.083 0.000 -3.380) 3.970 27.155 ( -2.788 0.000 6.235) 6.830 27.193 ( -2.294 0.000 4.711) 5.240 27.256 ( -3.452 0.000 -2.802) 4.446 27.295 ( -0.601 0.000 -4.887) 4.923 27.345 ( -6.609 0.000 3.271) 7.374 27.391 ( -2.884 0.000 -1.676) 3.335 28.326 ( 2.157 0.000 2.369) 3.204 28.386 ( 1.473 0.000 -3.091) 3.424 28.658 ( -3.119 0.000 2.249) 3.846 28.663 ( -3.967 0.000 2.035) 4.458 28.891 ( 7.442 0.000 -1.043) 7.515 28.927 ( 12.010 0.000 -5.514) 13.215 29.592 ( -5.329 0.000 -0.599) 5.363 29.619 ( -3.984 0.000 -2.997) 4.985 30.771 ( 1.459 0.000 1.356) 1.992 30.801 ( 1.499 0.000 -1.322) 1.999 30.903 ( 1.825 0.000 1.801) 2.564 30.931 ( 0.305 0.000 -0.270) 0.408 30.990 ( 0.654 0.000 0.531) 0.842 31.012 ( -1.314 0.000 -0.999) 1.651 31.366 ( -8.073 0.000 1.763) 8.263 31.382 ( -5.111 0.000 -0.158) 5.114 39.596 ( 0.963 0.000 0.447) 1.062 39.606 ( 1.010 0.000 -0.474) 1.116 39.705 ( -0.855 0.000 0.685) 1.095 39.720 ( -0.692 0.000 -0.761) 1.028 39.772 ( -0.713 0.000 0.475) 0.857 39.773 ( -0.132 0.000 0.222) 0.259 39.837 ( -0.458 0.000 0.188) 0.495 39.847 ( -0.924 0.000 -0.642) 1.125 70.083 ( 18.107 0.000 1.040) 18.137 70.106 ( 17.844 0.000 -0.946) 17.869 70.572 ( 25.290 0.000 4.785) 25.739 70.790 ( 44.595 0.000 -18.325) 48.213 72.054 ( -15.002 0.000 0.019) 15.002 72.057 ( -15.178 0.000 -0.035) 15.178 72.390 ( -8.328 0.000 15.350) 17.464 72.760 ( -5.889 0.000 -18.085) 19.020 105.123 ( 0.459 0.000 1.000) 1.100 105.145 ( 0.400 0.000 -0.900) 0.985 105.151 ( 1.474 0.000 0.857) 1.705 105.171 ( 1.097 0.000 -0.941) 1.445 105.224 ( -0.884 0.000 0.467) 1.000 105.232 ( -1.475 0.000 -0.277) 1.501 105.267 ( -0.663 0.000 0.416) 0.783 105.279 ( -0.807 0.000 -0.640) 1.030 ======================= Grid point 72 (27/36) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 13.037 0.000 18.413) 22.561 1.850 ( 14.969 0.000 17.998) 23.409 2.136 ( -1.170 0.000 -11.351) 11.411 2.228 ( 3.456 0.000 -13.349) 13.789 2.457 ( -6.505 0.000 13.078) 14.606 2.587 ( -10.191 0.000 1.836) 10.355 2.683 ( -5.603 0.000 0.748) 5.653 2.718 ( -12.937 0.000 -1.717) 13.051 2.798 ( 0.525 0.000 7.621) 7.639 2.999 ( 1.715 0.000 -5.714) 5.965 3.121 ( -4.641 0.000 6.299) 7.824 3.158 ( -12.620 0.000 6.944) 14.404 3.219 ( 5.399 0.000 22.719) 23.352 3.325 ( 0.031 0.000 -1.172) 1.173 3.369 ( -2.134 0.000 4.989) 5.427 3.532 ( -5.178 0.000 1.920) 5.522 3.541 ( -1.509 0.000 -1.056) 1.842 3.584 ( 0.282 0.000 4.706) 4.714 3.658 ( -1.137 0.000 -4.495) 4.636 3.665 ( 1.791 0.000 5.216) 5.515 3.834 ( 5.584 0.000 -9.804) 11.283 3.860 ( 6.281 0.000 -5.744) 8.511 3.914 ( 13.539 0.000 -5.886) 14.764 3.961 ( -15.818 0.000 2.489) 16.013 4.016 ( 5.837 0.000 -7.454) 9.468 4.225 ( 10.968 0.000 -5.472) 12.258 4.247 ( 9.303 0.000 -4.976) 10.550 4.306 ( -13.035 0.000 -18.059) 22.272 4.489 ( 3.874 0.000 -1.031) 4.009 4.509 ( -5.160 0.000 -1.824) 5.473 4.654 ( 7.269 0.000 1.439) 7.410 4.681 ( -7.680 0.000 -1.602) 7.845 4.714 ( -4.876 0.000 -4.066) 6.349 4.754 ( 6.421 0.000 -5.544) 8.483 4.960 ( 4.322 0.000 9.601) 10.530 5.084 ( 9.959 0.000 5.930) 11.591 5.091 ( -6.902 0.000 8.140) 10.672 5.127 ( 5.022 0.000 -3.851) 6.328 5.213 ( -9.754 0.000 -1.071) 9.813 5.305 ( -12.277 0.000 -7.535) 14.404 5.354 ( 3.902 0.000 -0.350) 3.917 5.355 ( 14.090 0.000 -1.034) 14.128 5.453 ( 11.267 0.000 1.419) 11.356 5.535 ( 8.667 0.000 -3.592) 9.382 5.570 ( -2.669 0.000 1.137) 2.901 5.573 ( 0.346 0.000 -0.285) 0.448 5.721 ( 6.964 0.000 0.943) 7.028 5.776 ( -3.273 0.000 5.879) 6.728 5.792 ( 8.888 0.000 -4.131) 9.802 5.920 ( -6.856 0.000 2.378) 7.257 5.961 ( -0.962 0.000 -7.371) 7.434 5.985 ( -6.877 0.000 6.196) 9.257 6.007 ( -1.561 0.000 2.117) 2.630 6.305 ( -5.982 0.000 -15.267) 16.397 6.310 ( 1.501 0.000 4.224) 4.483 6.362 ( -1.726 0.000 1.178) 2.090 6.446 ( -4.197 0.000 5.895) 7.236 6.477 ( 6.893 0.000 3.914) 7.926 6.544 ( -0.306 0.000 -1.842) 1.868 6.589 ( -1.037 0.000 -1.185) 1.574 6.638 ( -3.228 0.000 -4.049) 5.178 6.689 ( -1.252 0.000 -7.206) 7.314 6.780 ( -13.623 0.000 4.321) 14.292 6.888 ( -13.604 0.000 -3.695) 14.097 6.987 ( -1.728 0.000 9.629) 9.783 7.150 ( -0.019 0.000 -3.411) 3.411 7.162 ( -6.050 0.000 3.588) 7.034 7.205 ( -1.682 0.000 -0.242) 1.699 7.220 ( 7.374 0.000 4.203) 8.488 7.371 ( 5.889 0.000 -8.310) 10.185 7.435 ( 4.214 0.000 5.734) 7.116 7.487 ( -2.640 0.000 2.576) 3.688 7.496 ( 1.774 0.000 2.005) 2.677 7.569 ( 2.091 0.000 -5.551) 5.931 7.615 ( -5.306 0.000 -0.328) 5.316 7.638 ( -3.019 0.000 -1.454) 3.351 7.797 ( -2.017 0.000 0.037) 2.017 7.822 ( 0.490 0.000 -1.750) 1.817 7.885 ( -4.055 0.000 -1.882) 4.471 7.913 ( 0.346 0.000 -2.735) 2.757 8.248 ( -1.128 0.000 6.697) 6.791 8.266 ( 1.425 0.000 1.864) 2.347 8.310 ( -0.210 0.000 -0.895) 0.919 8.375 ( -0.814 0.000 -3.799) 3.886 8.528 ( 1.464 0.000 3.549) 3.839 8.593 ( -0.493 0.000 -1.297) 1.388 8.639 ( -2.784 0.000 -0.493) 2.828 8.695 ( -3.292 0.000 -5.132) 6.098 8.786 ( 4.464 0.000 4.036) 6.018 8.851 ( 4.033 0.000 -2.472) 4.731 8.854 ( 1.991 0.000 4.686) 5.092 8.914 ( 4.283 0.000 -0.693) 4.339 9.131 ( 3.955 0.000 4.194) 5.765 9.249 ( 8.563 0.000 -7.722) 11.531 9.374 ( 0.341 0.000 -1.998) 2.027 9.382 ( 1.815 0.000 -3.077) 3.573 9.487 ( -0.458 0.000 2.122) 2.171 9.567 ( 1.014 0.000 -5.888) 5.975 9.591 ( -5.834 0.000 7.024) 9.130 9.658 ( 1.966 0.000 6.342) 6.639 9.726 ( 0.178 0.000 -5.119) 5.122 9.785 ( 0.660 0.000 -3.415) 3.478 9.858 ( -4.920 0.000 8.708) 10.001 9.888 ( 0.276 0.000 3.101) 3.113 9.985 ( -3.482 0.000 2.384) 4.220 9.998 ( 3.983 0.000 -2.356) 4.628 10.138 ( -5.310 0.000 0.243) 5.316 10.194 ( -1.990 0.000 -3.779) 4.271 10.295 ( 5.300 0.000 6.188) 8.147 10.349 ( 3.846 0.000 2.640) 4.665 10.433 ( -0.691 0.000 -1.040) 1.249 10.440 ( 0.651 0.000 -3.334) 3.397 10.601 ( 1.656 0.000 3.462) 3.837 10.704 ( 1.976 0.000 -5.728) 6.060 10.734 ( -3.857 0.000 2.912) 4.833 10.819 ( -3.656 0.000 -3.979) 5.404 10.984 ( 7.017 0.000 -0.001) 7.017 10.995 ( 7.455 0.000 -1.398) 7.585 11.258 ( -5.941 0.000 0.480) 5.961 11.272 ( -7.103 0.000 0.333) 7.111 11.548 ( 4.407 0.000 3.912) 5.893 11.600 ( 5.610 0.000 -0.208) 5.614 11.710 ( -3.003 0.000 2.497) 3.906 11.729 ( -0.599 0.000 0.452) 0.750 11.757 ( 6.397 0.000 1.821) 6.651 11.803 ( 4.315 0.000 -1.122) 4.459 12.067 ( -5.551 0.000 4.449) 7.114 12.092 ( -8.491 0.000 0.729) 8.522 12.105 ( -2.490 0.000 -0.122) 2.493 12.135 ( 4.166 0.000 -2.871) 5.060 12.234 ( -10.917 0.000 3.065) 11.339 12.264 ( 2.262 0.000 0.143) 2.266 12.440 ( -2.678 0.000 1.404) 3.024 12.471 ( 3.134 0.000 -5.373) 6.221 12.620 ( -7.781 0.000 -6.181) 9.937 12.633 ( -1.850 0.000 -7.313) 7.544 13.688 ( 1.227 0.000 1.468) 1.913 13.728 ( 0.973 0.000 -2.600) 2.776 13.781 ( -2.414 0.000 4.091) 4.750 13.855 ( -4.284 0.000 -2.622) 5.022 13.982 ( 2.666 0.000 2.137) 3.416 13.997 ( 2.231 0.000 1.421) 2.645 14.136 ( -3.200 0.000 0.915) 3.328 14.143 ( -3.844 0.000 1.298) 4.058 14.584 ( 16.249 0.000 2.862) 16.499 14.585 ( 3.542 0.000 2.320) 4.234 14.608 ( 3.157 0.000 0.876) 3.277 14.658 ( 9.005 0.000 -2.800) 9.430 14.690 ( 7.281 0.000 0.696) 7.314 14.719 ( 4.173 0.000 -1.661) 4.492 14.849 ( 4.350 0.000 3.022) 5.297 14.885 ( 8.428 0.000 -1.338) 8.534 15.069 ( -1.563 0.000 1.151) 1.941 15.115 ( -0.602 0.000 -3.143) 3.200 15.151 ( -8.193 0.000 3.147) 8.777 15.226 ( -9.902 0.000 -3.557) 10.522 15.294 ( 4.169 0.000 4.802) 6.359 15.437 ( 6.485 0.000 -8.390) 10.604 15.472 ( -4.759 0.000 8.404) 9.658 15.640 ( -4.017 0.000 -7.010) 8.080 21.790 ( 1.956 0.000 3.572) 4.072 21.826 ( 1.056 0.000 5.588) 5.687 21.867 ( 3.442 0.000 -3.499) 4.908 21.896 ( -1.151 0.000 6.497) 6.598 21.952 ( 1.578 0.000 -5.897) 6.104 22.028 ( -1.819 0.000 -5.374) 5.673 22.030 ( -9.150 0.000 8.205) 12.290 22.175 ( -7.842 0.000 -5.444) 9.547 22.310 ( 1.288 0.000 1.606) 2.059 22.356 ( 0.251 0.000 -2.625) 2.637 22.472 ( -6.915 0.000 1.023) 6.991 22.494 ( -6.708 0.000 -0.886) 6.766 22.561 ( 4.352 0.000 2.513) 5.025 22.610 ( 2.660 0.000 -1.914) 3.277 22.753 ( -4.799 0.000 1.089) 4.921 22.770 ( -6.114 0.000 -0.730) 6.158 23.271 ( 6.391 0.000 1.825) 6.646 23.315 ( 8.606 0.000 -2.148) 8.870 23.383 ( 2.766 0.000 4.870) 5.601 23.515 ( -0.384 0.000 -6.877) 6.888 23.521 ( 3.935 0.000 6.994) 8.025 23.594 ( 1.742 0.000 6.969) 7.183 23.669 ( 5.720 0.000 -6.965) 9.013 23.764 ( 0.577 0.000 -8.475) 8.495 25.145 ( 5.969 0.000 4.653) 7.569 25.238 ( 5.646 0.000 -3.483) 6.634 25.271 ( 6.116 0.000 -0.473) 6.134 25.273 ( 4.153 0.000 -0.017) 4.153 25.510 ( 0.070 0.000 3.627) 3.628 25.585 ( -1.267 0.000 -2.860) 3.128 25.691 ( -4.654 0.000 -0.785) 4.720 25.742 ( -9.336 0.000 -3.955) 10.139 26.893 ( 4.923 0.000 3.630) 6.116 26.961 ( 4.389 0.000 -2.570) 5.086 27.089 ( -4.433 0.000 5.858) 7.346 27.150 ( -1.569 0.000 6.814) 6.993 27.170 ( -5.668 0.000 -2.043) 6.025 27.228 ( -5.444 0.000 6.033) 8.126 27.285 ( -0.262 0.000 -5.658) 5.664 27.334 ( -2.886 0.000 -3.991) 4.925 28.389 ( 4.476 0.000 1.687) 4.784 28.430 ( 3.300 0.000 -1.994) 3.855 28.580 ( -5.039 0.000 1.512) 5.261 28.587 ( -4.444 0.000 0.878) 4.529 29.062 ( 10.587 0.000 1.198) 10.654 29.153 ( 11.837 0.000 -8.002) 14.288 29.455 ( -9.244 0.000 0.678) 9.269 29.514 ( -7.361 0.000 -4.735) 8.752 30.809 ( 2.508 0.000 1.444) 2.895 30.840 ( 2.610 0.000 -1.369) 2.947 30.910 ( -2.329 0.000 1.553) 2.799 30.930 ( -0.342 0.000 -0.017) 0.342 31.001 ( 1.599 0.000 1.461) 2.165 31.039 ( 4.379 0.000 -1.798) 4.734 31.207 ( -8.268 0.000 4.081) 9.220 31.265 ( -7.015 0.000 -1.682) 7.213 39.621 ( 1.634 0.000 0.501) 1.709 39.632 ( 1.743 0.000 -0.550) 1.827 39.684 ( -1.432 0.000 0.679) 1.585 39.700 ( -1.508 0.000 -0.852) 1.732 39.769 ( 0.502 0.000 0.738) 0.893 39.776 ( 0.598 0.000 0.017) 0.598 39.818 ( -1.474 0.000 0.136) 1.481 39.823 ( -1.516 0.000 -0.357) 1.558 70.536 ( 29.616 0.000 0.770) 29.626 70.553 ( 29.220 0.000 -0.503) 29.225 71.135 ( 32.629 0.000 13.946) 35.485 71.597 ( 23.135 0.000 -24.860) 33.959 71.673 ( -25.614 0.000 0.271) 25.616 71.688 ( -9.060 0.000 -7.596) 11.823 72.145 ( -18.402 0.000 16.782) 24.905 72.580 ( -14.000 0.000 -22.805) 26.759 105.138 ( 1.135 0.000 0.917) 1.459 105.157 ( 0.928 0.000 -0.747) 1.191 105.179 ( 0.950 0.000 1.013) 1.389 105.196 ( 1.198 0.000 -0.239) 1.222 105.203 ( -0.891 0.000 -0.434) 0.991 105.204 ( -0.938 0.000 -0.196) 0.958 105.249 ( -1.309 0.000 0.281) 1.339 105.258 ( -1.424 0.000 -0.557) 1.529 ======================= Grid point 73 (28/36) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -16.971 0.000 7.957) 18.744 2.071 ( 16.971 0.000 7.957) 18.744 2.091 ( -7.884 0.000 4.424) 9.040 2.091 ( 7.884 0.000 4.424) 9.040 2.490 ( -5.342 0.000 1.868) 5.659 2.490 ( 5.342 0.000 1.868) 5.659 2.514 ( -10.404 0.000 -1.310) 10.486 2.514 ( 10.404 0.000 -1.310) 10.486 2.919 ( -11.024 0.000 10.028) 14.902 2.919 ( 11.024 0.000 10.028) 14.902 3.067 ( -2.153 0.000 0.440) 2.198 3.067 ( 2.153 0.000 0.440) 2.198 3.259 ( -8.317 0.000 4.145) 9.292 3.259 ( 8.317 0.000 4.145) 9.292 3.404 ( -7.149 0.000 -3.187) 7.828 3.404 ( 7.149 0.000 -3.187) 7.828 3.627 ( -1.787 0.000 3.499) 3.929 3.627 ( 1.787 0.000 3.499) 3.929 3.659 ( -12.378 0.000 8.652) 15.102 3.659 ( 12.378 0.000 8.652) 15.102 3.859 ( -6.950 0.000 -5.550) 8.894 3.859 ( 6.950 0.000 -5.550) 8.894 4.008 ( -13.139 0.000 -14.938) 19.895 4.008 ( 13.139 0.000 -14.938) 19.895 4.147 ( -11.756 0.000 -1.449) 11.845 4.147 ( 11.756 0.000 -1.449) 11.845 4.258 ( -15.826 0.000 -5.664) 16.809 4.258 ( 15.826 0.000 -5.664) 16.809 4.541 ( -10.655 0.000 -4.471) 11.555 4.541 ( 10.655 0.000 -4.471) 11.555 4.558 ( -9.480 0.000 -3.651) 10.158 4.558 ( 9.480 0.000 -3.651) 10.158 4.898 ( -12.376 0.000 2.669) 12.660 4.898 ( 12.376 0.000 2.669) 12.660 4.985 ( -14.859 0.000 -4.560) 15.543 4.985 ( 14.859 0.000 -4.560) 15.543 5.072 ( -5.900 0.000 8.065) 9.993 5.072 ( 5.900 0.000 8.065) 9.993 5.209 ( -2.425 0.000 -2.364) 3.387 5.209 ( 2.425 0.000 -2.364) 3.387 5.462 ( -6.794 0.000 4.641) 8.228 5.462 ( 6.794 0.000 4.641) 8.228 5.518 ( -5.530 0.000 -1.150) 5.648 5.518 ( 5.530 0.000 -1.150) 5.648 5.687 ( -4.450 0.000 7.696) 8.890 5.687 ( 4.450 0.000 7.696) 8.890 5.715 ( -13.317 0.000 3.960) 13.893 5.715 ( 13.317 0.000 3.960) 13.893 5.839 ( -7.983 0.000 -3.390) 8.673 5.839 ( 7.983 0.000 -3.390) 8.673 5.969 ( -3.993 0.000 -9.930) 10.703 5.969 ( 3.993 0.000 -9.930) 10.703 6.174 ( -13.993 0.000 0.996) 14.028 6.174 ( 13.993 0.000 0.996) 14.028 6.236 ( -4.918 0.000 -4.485) 6.657 6.236 ( 4.918 0.000 -4.485) 6.657 6.474 ( -6.474 0.000 6.140) 8.922 6.474 ( 6.474 0.000 6.140) 8.922 6.585 ( -5.486 0.000 0.466) 5.506 6.585 ( 5.486 0.000 0.466) 5.506 6.647 ( -4.549 0.000 -6.569) 7.990 6.647 ( 4.549 0.000 -6.569) 7.990 6.686 ( -6.603 0.000 -2.985) 7.246 6.686 ( 6.603 0.000 -2.985) 7.246 7.020 ( -6.137 0.000 8.996) 10.890 7.020 ( 6.137 0.000 8.996) 10.890 7.171 ( -1.650 0.000 -3.310) 3.699 7.171 ( 1.650 0.000 -3.310) 3.699 7.376 ( -8.224 0.000 5.093) 9.673 7.376 ( 8.224 0.000 5.093) 9.673 7.464 ( -2.455 0.000 -0.809) 2.585 7.464 ( 2.455 0.000 -0.809) 2.585 7.526 ( -3.710 0.000 -0.224) 3.717 7.526 ( 3.710 0.000 -0.224) 3.717 7.597 ( -1.715 0.000 -4.093) 4.438 7.597 ( 1.715 0.000 -4.093) 4.438 7.814 ( -3.101 0.000 -0.358) 3.121 7.814 ( 3.101 0.000 -0.358) 3.121 7.872 ( -3.807 0.000 -4.183) 5.656 7.872 ( 3.807 0.000 -4.183) 5.656 8.276 ( -3.061 0.000 3.510) 4.658 8.276 ( 3.061 0.000 3.510) 4.658 8.317 ( -3.818 0.000 -0.248) 3.826 8.317 ( 3.818 0.000 -0.248) 3.826 8.570 ( -3.321 0.000 1.475) 3.634 8.570 ( 3.321 0.000 1.475) 3.634 8.632 ( -3.438 0.000 -4.117) 5.364 8.632 ( 3.438 0.000 -4.117) 5.364 8.851 ( -2.298 0.000 4.198) 4.786 8.851 ( 2.298 0.000 4.198) 4.786 8.929 ( -2.726 0.000 -2.201) 3.504 8.929 ( 2.726 0.000 -2.201) 3.504 9.281 ( -9.259 0.000 5.102) 10.571 9.281 ( 9.259 0.000 5.102) 10.571 9.364 ( -3.567 0.000 -4.639) 5.852 9.364 ( 3.567 0.000 -4.639) 5.852 9.506 ( -2.365 0.000 3.690) 4.383 9.506 ( 2.365 0.000 3.690) 4.383 9.639 ( -6.166 0.000 -7.919) 10.037 9.639 ( 6.166 0.000 -7.919) 10.037 9.747 ( -6.407 0.000 8.320) 10.501 9.747 ( 6.407 0.000 8.320) 10.501 9.865 ( -5.062 0.000 0.071) 5.063 9.865 ( 5.062 0.000 0.071) 5.063 10.007 ( -6.914 0.000 2.937) 7.512 10.007 ( 6.914 0.000 2.937) 7.512 10.108 ( -6.586 0.000 -4.831) 8.168 10.108 ( 6.586 0.000 -4.831) 8.168 10.387 ( -3.989 0.000 2.585) 4.753 10.387 ( 3.989 0.000 2.585) 4.753 10.413 ( -2.947 0.000 0.329) 2.965 10.413 ( 2.947 0.000 0.329) 2.965 10.657 ( -4.040 0.000 2.198) 4.599 10.657 ( 4.040 0.000 2.198) 4.599 10.752 ( -3.289 0.000 -6.083) 6.915 10.752 ( 3.289 0.000 -6.083) 6.915 11.130 ( -8.235 0.000 1.027) 8.298 11.130 ( 8.235 0.000 1.027) 8.298 11.139 ( -7.387 0.000 -0.268) 7.392 11.139 ( 7.387 0.000 -0.268) 7.392 11.633 ( -4.674 0.000 4.035) 6.174 11.633 ( 4.674 0.000 4.035) 6.174 11.687 ( -3.748 0.000 0.159) 3.752 11.687 ( 3.748 0.000 0.159) 3.752 11.911 ( -9.869 0.000 1.147) 9.935 11.911 ( 9.869 0.000 1.147) 9.935 11.926 ( -8.813 0.000 0.187) 8.815 11.926 ( 8.813 0.000 0.187) 8.815 12.103 ( -3.059 0.000 5.396) 6.203 12.103 ( 3.059 0.000 5.396) 6.203 12.229 ( -4.938 0.000 -4.574) 6.731 12.229 ( 4.938 0.000 -4.574) 6.731 12.489 ( -6.670 0.000 -0.951) 6.737 12.489 ( 6.670 0.000 -0.951) 6.737 12.563 ( -5.177 0.000 -8.124) 9.633 12.563 ( 5.177 0.000 -8.124) 9.633 13.728 ( -2.879 0.000 2.470) 3.793 13.728 ( 2.879 0.000 2.470) 3.793 13.774 ( -3.794 0.000 -1.822) 4.209 13.774 ( 3.794 0.000 -1.822) 4.209 14.056 ( -4.743 0.000 1.006) 4.849 14.056 ( 4.743 0.000 1.006) 4.849 14.061 ( -4.387 0.000 1.444) 4.619 14.061 ( 4.387 0.000 1.444) 4.619 14.635 ( -2.747 0.000 2.294) 3.579 14.635 ( 2.747 0.000 2.294) 3.579 14.669 ( -3.219 0.000 -0.480) 3.255 14.669 ( 3.219 0.000 -0.480) 3.255 14.892 ( -12.967 0.000 4.705) 13.795 14.892 ( 12.967 0.000 4.705) 13.795 14.961 ( -10.420 0.000 -0.758) 10.448 14.961 ( 10.420 0.000 -0.758) 10.448 15.020 ( -8.045 0.000 1.024) 8.110 15.020 ( 8.045 0.000 1.024) 8.110 15.069 ( -2.731 0.000 -4.513) 5.276 15.069 ( 2.731 0.000 -4.513) 5.276 15.380 ( -4.996 0.000 6.830) 8.462 15.380 ( 4.996 0.000 6.830) 8.462 15.551 ( -5.650 0.000 -8.501) 10.207 15.551 ( 5.650 0.000 -8.501) 10.207 21.825 ( -1.454 0.000 5.271) 5.468 21.825 ( 1.454 0.000 5.271) 5.468 21.913 ( -3.682 0.000 6.822) 7.752 21.913 ( 3.682 0.000 6.822) 7.752 21.933 ( -3.239 0.000 -4.488) 5.535 21.933 ( 3.239 0.000 -4.488) 5.535 22.055 ( -4.700 0.000 -6.279) 7.843 22.055 ( 4.700 0.000 -6.279) 7.843 22.364 ( -4.525 0.000 1.144) 4.667 22.364 ( 4.525 0.000 1.144) 4.667 22.395 ( -3.902 0.000 -1.651) 4.237 22.395 ( 3.902 0.000 -1.651) 4.237 22.658 ( -5.877 0.000 0.825) 5.934 22.658 ( 5.877 0.000 0.825) 5.934 22.671 ( -3.944 0.000 -0.225) 3.950 22.671 ( 3.944 0.000 -0.225) 3.950 23.367 ( -3.608 0.000 3.359) 4.929 23.367 ( 3.608 0.000 3.359) 4.929 23.450 ( -5.784 0.000 -4.126) 7.105 23.450 ( 5.784 0.000 -4.126) 7.105 23.589 ( -2.393 0.000 6.935) 7.337 23.589 ( 2.393 0.000 6.935) 7.337 23.749 ( -2.503 0.000 -7.747) 8.142 23.749 ( 2.503 0.000 -7.747) 8.142 25.256 ( -5.063 0.000 4.188) 6.571 25.256 ( 5.063 0.000 4.188) 6.571 25.320 ( -1.999 0.000 -1.604) 2.563 25.320 ( 1.999 0.000 -1.604) 2.563 25.574 ( -7.597 0.000 -0.348) 7.605 25.574 ( 7.597 0.000 -0.348) 7.605 25.612 ( -3.729 0.000 -4.152) 5.581 25.612 ( 3.729 0.000 -4.152) 5.581 26.994 ( -5.635 0.000 4.226) 7.044 26.994 ( 5.635 0.000 4.226) 7.044 27.059 ( -6.006 0.000 -1.954) 6.316 27.059 ( 6.006 0.000 -1.954) 6.316 27.155 ( -2.248 0.000 7.451) 7.783 27.155 ( 2.248 0.000 7.451) 7.783 27.294 ( -1.358 0.000 -5.436) 5.603 27.294 ( 1.358 0.000 -5.436) 5.603 28.482 ( -5.368 0.000 1.329) 5.530 28.482 ( 5.368 0.000 1.329) 5.530 28.503 ( -4.436 0.000 -0.532) 4.467 28.503 ( 4.436 0.000 -0.532) 4.467 29.264 ( -11.032 0.000 1.617) 11.149 29.264 ( 11.032 0.000 1.617) 11.149 29.354 ( -9.886 0.000 -6.878) 12.043 29.354 ( 9.886 0.000 -6.878) 12.043 30.860 ( -2.891 0.000 1.597) 3.303 30.860 ( 2.891 0.000 1.597) 3.303 30.892 ( -2.855 0.000 -1.333) 3.151 30.892 ( 2.855 0.000 -1.333) 3.151 31.076 ( -5.815 0.000 3.736) 6.912 31.076 ( 5.815 0.000 3.736) 6.912 31.139 ( -6.317 0.000 -2.238) 6.702 31.139 ( 6.317 0.000 -2.238) 6.702 39.653 ( -1.797 0.000 0.592) 1.892 39.653 ( 1.797 0.000 0.592) 1.892 39.667 ( -1.955 0.000 -0.694) 2.075 39.667 ( 1.955 0.000 -0.694) 2.075 39.789 ( -1.492 0.000 0.438) 1.555 39.789 ( 1.492 0.000 0.438) 1.555 39.795 ( -1.388 0.000 -0.185) 1.400 39.795 ( 1.388 0.000 -0.185) 1.400 71.116 ( -31.882 0.000 0.364) 31.884 71.116 ( 31.882 0.000 0.364) 31.884 71.124 ( -31.153 0.000 -0.030) 31.153 71.124 ( 31.153 0.000 -0.030) 31.153 71.717 ( -27.584 0.000 17.543) 32.690 71.717 ( 27.584 0.000 17.543) 32.690 72.225 ( -25.277 0.000 -29.489) 38.840 72.225 ( 25.277 0.000 -29.489) 38.840 105.163 ( -1.506 0.000 0.920) 1.764 105.163 ( 1.506 0.000 0.920) 1.764 105.178 ( -1.270 0.000 -0.396) 1.330 105.178 ( 1.270 0.000 -0.396) 1.330 105.221 ( -1.621 0.000 0.079) 1.623 105.221 ( 1.621 0.000 0.079) 1.623 105.228 ( -1.704 0.000 -0.583) 1.801 105.228 ( 1.704 0.000 -0.583) 1.801 ======================= Grid point 77 (29/36) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 0.000 14.571 29.579) 32.974 1.791 ( 0.000 23.249 27.295) 35.855 2.269 ( 0.000 6.042 -24.959) 25.680 2.290 ( 0.000 15.565 -17.153) 23.163 2.696 ( 0.000 2.664 5.459) 6.074 2.699 ( 0.000 -7.269 5.189) 8.931 2.753 ( 0.000 3.518 7.601) 8.376 2.825 ( 0.000 4.088 -4.850) 6.343 2.869 ( 0.000 8.197 23.974) 25.337 2.981 ( 0.000 -9.353 6.210) 11.227 3.057 ( 0.000 -2.532 1.180) 2.794 3.145 ( 0.000 -6.505 5.185) 8.318 3.167 ( 0.000 -6.239 1.057) 6.328 3.290 ( 0.000 -4.203 5.562) 6.972 3.300 ( 0.000 -3.966 -9.349) 10.155 3.489 ( 0.000 -9.177 -11.190) 14.472 3.492 ( 0.000 8.995 4.811) 10.200 3.705 ( 0.000 0.337 4.787) 4.799 3.786 ( 0.000 1.845 -1.261) 2.235 3.815 ( 0.000 -0.710 0.487) 0.860 3.829 ( 0.000 -2.457 -7.221) 7.627 3.929 ( 0.000 3.186 -12.504) 12.904 3.992 ( 0.000 4.900 -3.781) 6.189 4.043 ( 0.000 6.596 6.764) 9.448 4.045 ( 0.000 0.188 -3.352) 3.357 4.170 ( 0.000 5.143 -3.188) 6.051 4.231 ( 0.000 6.762 9.639) 11.775 4.366 ( 0.000 -4.150 8.449) 9.413 4.397 ( 0.000 9.828 -2.324) 10.099 4.440 ( 0.000 -5.034 0.507) 5.060 4.640 ( 0.000 2.851 6.057) 6.694 4.684 ( 0.000 -1.289 -2.476) 2.791 4.694 ( 0.000 -1.423 11.167) 11.257 4.726 ( 0.000 -1.606 -5.990) 6.201 4.873 ( 0.000 -1.491 -6.745) 6.908 4.913 ( 0.000 -1.554 -4.568) 4.825 4.994 ( 0.000 1.826 -5.173) 5.486 5.035 ( 0.000 -4.592 2.939) 5.452 5.066 ( 0.000 -1.440 -16.162) 16.226 5.186 ( 0.000 0.732 -10.646) 10.671 5.285 ( 0.000 4.121 5.572) 6.930 5.413 ( 0.000 1.592 -4.615) 4.881 5.519 ( 0.000 -3.477 7.498) 8.265 5.582 ( 0.000 -7.351 1.720) 7.549 5.664 ( 0.000 4.134 1.045) 4.264 5.697 ( 0.000 3.871 2.228) 4.467 5.718 ( 0.000 -0.489 5.428) 5.450 5.772 ( 0.000 7.955 -6.286) 10.139 5.830 ( 0.000 -6.253 -5.293) 8.192 5.842 ( 0.000 -3.369 -5.409) 6.373 5.882 ( 0.000 1.971 -0.838) 2.142 5.889 ( 0.000 -4.055 -0.457) 4.081 6.113 ( 0.000 -5.634 1.505) 5.832 6.186 ( 0.000 3.820 -4.205) 5.681 6.226 ( 0.000 -10.819 4.816) 11.842 6.330 ( 0.000 -0.610 -0.173) 0.634 6.490 ( 0.000 -6.597 0.987) 6.670 6.579 ( 0.000 4.008 -3.667) 5.433 6.668 ( 0.000 -8.334 2.761) 8.779 6.712 ( 0.000 -3.770 -4.605) 5.951 6.719 ( 0.000 -7.103 -1.191) 7.202 6.740 ( 0.000 2.125 -4.524) 4.998 6.870 ( 0.000 -0.606 2.164) 2.247 6.922 ( 0.000 -0.692 -0.786) 1.047 7.019 ( 0.000 -0.309 8.500) 8.505 7.060 ( 0.000 1.166 9.038) 9.113 7.113 ( 0.000 4.005 1.642) 4.329 7.234 ( 0.000 -2.967 -7.180) 7.769 7.268 ( 0.000 2.200 -1.193) 2.503 7.309 ( 0.000 -3.652 0.410) 3.675 7.328 ( 0.000 1.653 -3.599) 3.961 7.374 ( 0.000 -2.439 -4.998) 5.561 7.585 ( 0.000 8.933 6.004) 10.763 7.653 ( 0.000 6.775 -0.017) 6.775 7.722 ( 0.000 8.594 5.473) 10.189 7.819 ( 0.000 -1.331 -1.878) 2.302 7.864 ( 0.000 -4.637 0.992) 4.741 7.883 ( 0.000 -0.700 -1.165) 1.359 7.908 ( 0.000 -2.700 3.794) 4.657 8.004 ( 0.000 0.386 -3.088) 3.112 8.194 ( 0.000 -0.834 5.350) 5.415 8.341 ( 0.000 5.734 0.763) 5.784 8.374 ( 0.000 4.164 -0.465) 4.190 8.406 ( 0.000 -5.105 2.289) 5.595 8.421 ( 0.000 -8.554 0.069) 8.554 8.508 ( 0.000 0.764 -7.393) 7.433 8.584 ( 0.000 6.236 3.331) 7.070 8.622 ( 0.000 -2.983 0.793) 3.086 8.719 ( 0.000 2.995 -5.167) 5.972 8.764 ( 0.000 -0.095 2.733) 2.735 8.792 ( 0.000 1.875 -9.169) 9.359 8.800 ( 0.000 0.429 -1.603) 1.659 9.210 ( 0.000 -1.979 -0.005) 1.979 9.238 ( 0.000 0.147 -0.175) 0.228 9.333 ( 0.000 -1.323 3.175) 3.440 9.363 ( 0.000 0.187 0.530) 0.562 9.487 ( 0.000 2.725 0.042) 2.725 9.576 ( 0.000 1.291 -5.641) 5.787 9.681 ( 0.000 1.218 3.448) 3.657 9.683 ( 0.000 -1.520 4.471) 4.722 9.739 ( 0.000 -3.190 -0.285) 3.203 9.742 ( 0.000 1.955 -1.870) 2.705 9.851 ( 0.000 -6.202 1.724) 6.437 9.871 ( 0.000 -6.172 0.381) 6.183 10.026 ( 0.000 -0.319 3.723) 3.736 10.035 ( 0.000 -0.872 2.322) 2.480 10.095 ( 0.000 0.237 -1.875) 1.890 10.106 ( 0.000 -0.660 -3.625) 3.685 10.320 ( 0.000 1.101 2.118) 2.387 10.331 ( 0.000 3.081 2.750) 4.130 10.365 ( 0.000 4.046 -1.524) 4.323 10.373 ( 0.000 4.614 -0.063) 4.614 10.661 ( 0.000 5.264 1.328) 5.429 10.751 ( 0.000 8.684 -6.810) 11.036 10.768 ( 0.000 -0.925 4.972) 5.057 10.847 ( 0.000 0.669 -2.241) 2.339 10.886 ( 0.000 4.117 2.897) 5.034 11.011 ( 0.000 3.468 -6.949) 7.766 11.260 ( 0.000 -10.888 0.724) 10.912 11.296 ( 0.000 -12.370 -3.113) 12.755 11.558 ( 0.000 3.131 3.979) 5.063 11.634 ( 0.000 4.624 -2.241) 5.138 11.637 ( 0.000 4.305 4.132) 5.967 11.699 ( 0.000 -1.188 1.636) 2.022 11.722 ( 0.000 2.221 -1.071) 2.465 11.729 ( 0.000 6.320 -3.694) 7.320 12.016 ( 0.000 -6.596 0.879) 6.654 12.109 ( 0.000 -3.320 -3.772) 5.024 12.171 ( 0.000 0.812 5.237) 5.300 12.250 ( 0.000 5.123 1.161) 5.253 12.270 ( 0.000 -5.513 1.638) 5.751 12.347 ( 0.000 -0.338 -2.904) 2.924 12.423 ( 0.000 -0.549 4.010) 4.047 12.555 ( 0.000 0.583 -5.530) 5.561 12.754 ( 0.000 -7.724 2.661) 8.169 12.851 ( 0.000 -10.695 -5.806) 12.169 13.742 ( 0.000 0.171 2.607) 2.613 13.800 ( 0.000 -2.950 6.141) 6.813 13.820 ( 0.000 2.602 -3.943) 4.724 13.901 ( 0.000 -0.325 1.947) 1.974 13.906 ( 0.000 0.156 -2.107) 2.113 13.940 ( 0.000 -2.169 1.556) 2.669 13.975 ( 0.000 -0.057 -3.857) 3.857 13.991 ( 0.000 0.034 -1.928) 1.928 14.211 ( 0.000 4.672 2.209) 5.168 14.251 ( 0.000 6.595 -1.157) 6.696 14.480 ( 0.000 -2.959 3.216) 4.370 14.508 ( 0.000 -2.841 1.218) 3.091 14.685 ( 0.000 5.923 0.705) 5.965 14.720 ( 0.000 4.781 -2.431) 5.363 14.826 ( 0.000 -1.209 1.964) 2.306 14.858 ( 0.000 -0.708 -0.926) 1.166 15.000 ( 0.000 -2.335 0.037) 2.335 15.014 ( 0.000 -8.698 3.017) 9.207 15.045 ( 0.000 -1.396 -4.612) 4.818 15.072 ( 0.000 -9.723 -2.136) 9.954 15.520 ( 0.000 9.546 3.102) 10.037 15.565 ( 0.000 9.976 -1.236) 10.053 15.596 ( 0.000 2.263 8.467) 8.764 15.736 ( 0.000 1.654 -4.593) 4.881 21.757 ( 0.000 0.602 1.856) 1.952 21.801 ( 0.000 -0.180 4.109) 4.113 21.806 ( 0.000 0.978 -2.684) 2.856 21.886 ( 0.000 -1.502 -2.126) 2.603 21.961 ( 0.000 2.037 5.534) 5.897 22.107 ( 0.000 2.077 -6.264) 6.599 22.249 ( 0.000 -5.489 3.589) 6.558 22.307 ( 0.000 -2.231 -2.238) 3.160 22.374 ( 0.000 -0.305 4.502) 4.512 22.438 ( 0.000 -5.911 4.649) 7.520 22.483 ( 0.000 -0.541 -5.706) 5.731 22.528 ( 0.000 -3.301 -4.010) 5.194 22.772 ( 0.000 3.172 2.489) 4.032 22.820 ( 0.000 4.872 -1.786) 5.189 22.876 ( 0.000 -0.443 2.505) 2.544 22.916 ( 0.000 0.697 -0.869) 1.114 23.087 ( 0.000 0.073 -0.294) 0.303 23.094 ( 0.000 0.424 -0.654) 0.779 23.122 ( 0.000 -0.153 1.108) 1.118 23.146 ( 0.000 -0.935 -0.828) 1.249 23.469 ( 0.000 0.196 5.835) 5.838 23.489 ( 0.000 -0.324 10.140) 10.146 23.608 ( 0.000 1.148 -6.890) 6.984 23.711 ( 0.000 -1.275 -10.242) 10.322 25.036 ( 0.000 0.466 4.438) 4.463 25.059 ( 0.000 -0.091 2.721) 2.722 25.114 ( 0.000 0.458 -2.317) 2.361 25.127 ( 0.000 0.709 -3.886) 3.950 25.539 ( 0.000 2.007 5.602) 5.950 25.664 ( 0.000 3.305 -5.799) 6.675 25.773 ( 0.000 -4.321 7.210) 8.406 25.914 ( 0.000 -2.921 -5.823) 6.515 26.809 ( 0.000 1.343 4.407) 4.607 26.898 ( 0.000 1.762 -3.752) 4.145 27.109 ( 0.000 -10.493 5.587) 11.888 27.166 ( 0.000 -4.965 1.064) 5.078 27.218 ( 0.000 0.345 4.664) 4.676 27.308 ( 0.000 1.389 -3.568) 3.829 27.341 ( 0.000 -5.994 2.592) 6.530 27.441 ( 0.000 -0.769 -5.827) 5.878 28.366 ( 0.000 5.355 3.838) 6.588 28.467 ( 0.000 6.649 -5.402) 8.567 28.696 ( 0.000 -3.517 4.121) 5.417 28.782 ( 0.000 -3.348 -3.487) 4.834 28.794 ( 0.000 11.680 5.006) 12.708 28.929 ( 0.000 14.255 -8.025) 16.359 29.577 ( 0.000 -7.487 -1.155) 7.575 29.596 ( 0.000 -5.719 -2.815) 6.374 30.770 ( 0.000 1.305 1.371) 1.893 30.801 ( 0.000 1.420 -1.371) 1.974 30.873 ( 0.000 -1.235 1.842) 2.218 30.913 ( 0.000 -1.145 -1.754) 2.094 31.011 ( 0.000 2.390 2.795) 3.678 31.058 ( 0.000 3.343 -1.561) 3.689 31.367 ( 0.000 -7.573 1.790) 7.782 31.384 ( 0.000 -5.058 -0.134) 5.060 39.598 ( 0.000 1.185 0.463) 1.272 39.609 ( 0.000 1.241 -0.479) 1.330 39.705 ( 0.000 -1.282 0.327) 1.323 39.709 ( 0.000 -1.324 -0.111) 1.328 39.772 ( 0.000 0.383 1.624) 1.669 39.812 ( 0.000 1.891 -2.304) 2.981 39.829 ( 0.000 -0.791 1.198) 1.436 39.857 ( 0.000 0.096 -1.369) 1.373 69.958 ( 0.000 4.697 2.015) 5.111 70.022 ( 0.000 7.636 -4.332) 8.779 70.262 ( 0.000 -3.413 1.794) 3.856 70.312 ( 0.000 -1.231 -2.844) 3.099 72.192 ( 0.000 1.579 3.962) 4.265 72.285 ( 0.000 6.505 -4.541) 7.934 72.430 ( 0.000 -3.420 14.176) 14.583 72.755 ( 0.000 -5.738 -15.428) 16.460 105.123 ( 0.000 0.230 1.033) 1.058 105.135 ( 0.000 -0.025 1.230) 1.230 105.144 ( 0.000 0.265 -0.845) 0.885 105.163 ( 0.000 0.149 -1.385) 1.393 105.225 ( 0.000 -0.161 1.595) 1.603 105.258 ( 0.000 0.674 -1.567) 1.705 105.267 ( 0.000 -0.609 0.650) 0.891 105.284 ( 0.000 -0.236 -0.891) 0.921 ======================= Grid point 78 (30/36) ======================= q-point: ( 0.17 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 4.981 12.728 26.095) 29.458 1.866 ( 7.791 21.579 24.147) 33.308 2.234 ( -3.457 5.576 -20.463) 21.489 2.302 ( 0.717 13.129 -13.985) 19.196 2.603 ( -5.041 0.793 9.335) 10.639 2.695 ( -3.970 -1.403 4.517) 6.175 2.748 ( -0.966 0.886 -0.321) 1.349 2.787 ( -3.462 1.658 -5.220) 6.479 2.926 ( -7.864 -4.685 3.328) 9.740 2.944 ( -0.420 -5.355 1.624) 5.612 3.018 ( 13.525 8.018 24.993) 29.528 3.186 ( -2.954 -5.847 4.258) 7.813 3.206 ( -1.967 -5.962 6.690) 9.175 3.331 ( 5.667 -5.291 -0.346) 7.761 3.358 ( -4.140 -7.787 -4.611) 9.951 3.397 ( 4.136 -4.703 -4.199) 7.540 3.586 ( -2.511 1.702 3.026) 4.284 3.700 ( 5.903 3.153 -1.766) 6.922 3.710 ( -5.254 2.530 -0.945) 5.907 3.780 ( -0.719 3.838 -1.458) 4.169 3.790 ( -9.400 0.017 2.928) 9.846 3.907 ( -4.979 4.344 3.430) 7.445 3.931 ( -7.671 6.223 -0.453) 9.888 3.958 ( 6.134 -0.715 -5.663) 8.379 4.043 ( 9.182 7.716 -13.653) 18.173 4.100 ( -3.181 8.009 -6.916) 11.050 4.285 ( -5.847 0.804 4.840) 7.633 4.398 ( 2.530 0.346 -2.211) 3.377 4.482 ( -1.199 0.069 1.893) 2.242 4.509 ( 6.925 0.965 2.044) 7.285 4.608 ( -2.916 -2.103 1.367) 3.847 4.682 ( 8.050 5.883 9.742) 13.940 4.753 ( 4.799 -0.613 -3.893) 6.210 4.876 ( 0.383 -2.659 -0.779) 2.797 4.916 ( 6.543 -0.427 -2.287) 6.945 4.938 ( 0.723 2.667 -0.677) 2.845 4.964 ( 6.871 1.519 -8.426) 10.978 5.031 ( 6.150 1.133 -6.078) 8.720 5.152 ( 4.019 -4.931 -0.836) 6.416 5.248 ( 0.694 -3.387 -5.784) 6.739 5.297 ( -0.032 -0.260 0.430) 0.503 5.367 ( -5.064 1.945 -2.159) 5.838 5.451 ( 2.475 -2.048 1.922) 3.743 5.498 ( -7.650 -6.020 -1.101) 9.797 5.537 ( -5.575 1.587 -2.085) 6.160 5.594 ( -5.518 -2.246 -1.776) 6.216 5.658 ( -2.720 2.863 2.098) 4.471 5.722 ( -4.137 -0.889 -2.972) 5.171 5.856 ( -2.585 -1.341 3.183) 4.314 5.902 ( 2.665 -1.960 2.172) 3.958 5.956 ( 2.912 -0.939 -0.162) 3.064 6.049 ( 0.268 -3.778 -3.070) 4.876 6.121 ( 2.732 -12.122 2.001) 12.586 6.133 ( 5.652 0.077 0.984) 5.737 6.264 ( -5.661 5.899 5.803) 10.026 6.324 ( 3.211 -2.419 -1.763) 4.390 6.411 ( -1.038 -8.841 -2.437) 9.229 6.480 ( -4.834 0.461 -9.280) 10.474 6.626 ( -4.647 -0.821 2.478) 5.331 6.657 ( -5.954 0.021 -2.222) 6.355 6.713 ( -1.013 4.723 -0.659) 4.875 6.749 ( -5.980 -0.806 -4.256) 7.384 6.953 ( 6.352 -6.749 7.399) 11.859 6.994 ( 0.297 -2.855 5.956) 6.611 7.019 ( 0.674 1.022 3.549) 3.754 7.078 ( 5.928 1.852 -1.035) 6.296 7.144 ( 3.876 2.366 0.245) 4.548 7.197 ( -2.002 0.101 -5.297) 5.663 7.281 ( -0.910 -1.465 -1.691) 2.415 7.328 ( 2.020 -0.015 -0.547) 2.093 7.353 ( 2.132 -0.892 -0.410) 2.347 7.432 ( 4.905 -1.702 -3.906) 6.497 7.496 ( -5.828 7.235 6.328) 11.241 7.601 ( -2.910 5.333 -2.216) 6.467 7.729 ( -4.486 0.283 0.692) 4.548 7.743 ( -4.446 3.216 0.675) 5.529 7.810 ( -4.381 -5.102 1.087) 6.813 7.837 ( -4.545 -1.702 -1.245) 5.010 7.942 ( -0.708 -0.917 0.012) 1.159 7.962 ( -1.045 3.925 -0.274) 4.071 8.214 ( 1.143 -1.097 4.312) 4.594 8.291 ( -4.180 -1.608 2.095) 4.945 8.333 ( -0.263 2.803 -1.002) 2.988 8.417 ( -2.246 2.214 -3.829) 4.961 8.448 ( 2.031 -2.827 2.354) 4.202 8.510 ( 5.062 -2.624 -1.264) 5.840 8.616 ( -0.133 -3.296 2.996) 4.456 8.721 ( 3.148 1.909 1.718) 4.063 8.733 ( 3.198 -0.894 -3.472) 4.804 8.796 ( 3.975 0.578 0.674) 4.073 8.806 ( 2.750 1.656 -1.767) 3.664 8.845 ( 2.286 -0.223 -3.808) 4.447 9.183 ( -1.646 3.359 0.924) 3.853 9.203 ( -3.872 0.500 -1.058) 4.045 9.303 ( 0.477 -1.632 -0.366) 1.739 9.322 ( 0.903 -0.632 -2.234) 2.491 9.547 ( -1.808 2.210 -1.001) 3.025 9.577 ( 2.720 1.923 -3.803) 5.056 9.634 ( -1.646 0.177 4.055) 4.380 9.674 ( -3.143 -2.492 2.845) 4.918 9.722 ( 1.057 1.908 -0.240) 2.194 9.775 ( 1.804 0.044 -1.166) 2.149 9.867 ( 1.074 -4.293 3.673) 5.751 9.915 ( 2.964 -4.063 -0.459) 5.050 9.972 ( -4.153 0.683 4.835) 6.410 10.031 ( -1.491 -0.713 0.799) 1.836 10.081 ( 0.972 -1.877 1.617) 2.662 10.164 ( 3.141 -1.978 -3.995) 5.453 10.305 ( 0.098 2.538 2.541) 3.593 10.327 ( -0.058 1.747 5.224) 5.508 10.366 ( 0.989 2.064 -2.290) 3.238 10.442 ( 3.137 2.357 -4.105) 5.678 10.678 ( 1.486 6.269 1.227) 6.559 10.744 ( -0.247 6.046 -3.390) 6.936 10.799 ( 1.943 1.955 3.067) 4.124 10.872 ( 2.459 1.349 0.524) 2.854 10.879 ( 0.007 2.043 -0.839) 2.208 10.976 ( -2.471 3.314 -5.283) 6.708 11.248 ( -4.158 -9.977 -0.045) 10.809 11.268 ( -0.477 -9.560 -2.086) 9.796 11.548 ( -0.018 5.126 4.306) 6.695 11.592 ( 1.528 5.083 0.752) 5.360 11.707 ( 1.054 -1.697 2.489) 3.192 11.717 ( 0.819 2.781 1.033) 3.078 11.733 ( 3.945 3.348 -0.949) 5.261 11.771 ( 2.640 3.301 -3.074) 5.227 12.019 ( 1.085 -6.452 2.034) 6.851 12.116 ( 0.624 -2.894 -3.437) 4.536 12.159 ( -6.456 -1.315 3.892) 7.652 12.199 ( -1.760 -0.051 0.644) 1.875 12.281 ( -1.799 3.263 0.112) 3.728 12.299 ( 1.552 -0.138 -3.149) 3.513 12.452 ( -0.118 -1.911 3.279) 3.797 12.550 ( -4.896 -4.505 -4.524) 8.046 12.575 ( -11.939 -5.869 4.361) 14.000 12.738 ( -8.833 -7.062 -8.742) 14.294 13.704 ( -1.579 0.851 1.709) 2.478 13.728 ( -3.128 -0.435 2.356) 3.940 13.823 ( 0.355 0.760 0.378) 0.920 13.897 ( 0.346 0.325 -3.313) 3.347 13.959 ( 1.389 -0.973 2.662) 3.156 13.972 ( -0.376 0.003 0.082) 0.385 14.075 ( 4.484 -3.861 0.283) 5.924 14.105 ( 5.208 -4.789 -1.751) 7.288 14.312 ( 12.216 3.443 1.150) 12.744 14.344 ( 11.710 5.208 -0.984) 12.854 14.530 ( 5.713 -1.925 3.709) 7.078 14.565 ( 6.474 -2.141 0.514) 6.839 14.684 ( 0.090 7.217 -0.316) 7.224 14.711 ( 1.672 6.046 -2.635) 6.804 14.818 ( -0.475 -0.353 2.428) 2.499 14.861 ( -1.888 -0.667 -1.306) 2.390 14.991 ( 3.562 -3.718 2.645) 5.789 15.066 ( 1.970 -3.293 -2.901) 4.810 15.081 ( 2.574 -6.470 -0.861) 7.016 15.109 ( 2.889 -8.082 -2.448) 8.925 15.499 ( -1.820 8.651 1.641) 8.991 15.527 ( -3.789 9.126 -0.242) 9.885 15.574 ( -2.456 3.274 7.433) 8.486 15.715 ( -2.249 1.503 -5.035) 5.715 21.766 ( 1.015 0.530 2.337) 2.603 21.806 ( 0.662 -0.163 4.070) 4.126 21.824 ( 1.811 0.762 -2.541) 3.212 21.890 ( 0.262 -1.453 -0.319) 1.510 21.954 ( -0.294 1.807 3.011) 3.523 22.085 ( -2.197 1.782 -5.869) 6.515 22.175 ( -8.176 -5.292 6.613) 11.772 22.272 ( -4.183 -2.705 -2.961) 5.795 22.331 ( -2.195 0.931 2.973) 3.812 22.412 ( -4.050 0.837 -4.034) 5.777 22.460 ( 1.101 -3.292 3.266) 4.766 22.535 ( 0.303 -2.687 -3.441) 4.376 22.661 ( -7.877 3.392 1.213) 8.661 22.677 ( -8.716 3.491 0.040) 9.390 22.822 ( -4.886 -1.611 1.730) 5.428 22.853 ( -5.864 -1.868 -1.200) 6.270 23.163 ( 6.999 1.515 0.676) 7.193 23.180 ( 8.722 2.508 -0.976) 9.128 23.252 ( 9.880 -0.407 4.227) 10.754 23.366 ( 13.473 -2.462 -5.642) 14.813 23.478 ( 1.720 0.431 6.271) 6.517 23.534 ( 3.463 -0.512 7.342) 8.133 23.612 ( 0.421 0.986 -6.112) 6.206 23.726 ( 1.332 -1.480 -9.475) 9.682 25.065 ( 3.446 0.835 4.280) 5.557 25.126 ( 5.759 -1.052 1.006) 5.940 25.154 ( 4.588 0.535 -2.600) 5.300 25.176 ( 5.138 0.660 -2.845) 5.910 25.533 ( -0.719 1.629 5.337) 5.627 25.644 ( -2.288 2.386 -3.814) 5.047 25.740 ( -3.226 -3.332 4.615) 6.543 25.863 ( -5.365 -2.455 -5.607) 8.139 26.832 ( 2.498 1.150 4.306) 5.110 26.918 ( 2.129 1.802 -3.495) 4.471 27.099 ( -0.996 -8.777 5.955) 10.653 27.148 ( -1.948 -2.906 3.144) 4.704 27.201 ( -1.841 -0.630 4.004) 4.452 27.280 ( -2.802 -0.372 -2.465) 3.751 27.321 ( -1.966 -4.590 0.053) 4.994 27.388 ( -4.938 0.147 -5.087) 7.091 28.388 ( 2.469 5.766 3.188) 7.036 28.468 ( 0.678 6.636 -3.976) 7.765 28.702 ( -0.936 0.738 2.640) 2.897 28.726 ( -3.545 5.418 1.070) 6.563 28.886 ( 7.064 1.649 0.695) 7.288 28.981 ( 5.975 7.334 -8.341) 12.612 29.535 ( -4.725 -6.510 -1.290) 8.146 29.553 ( -4.330 -6.437 -2.667) 8.203 30.785 ( 1.493 1.345 1.404) 2.451 30.815 ( 1.564 1.486 -1.389) 2.566 30.892 ( 1.898 -1.246 1.906) 2.964 30.930 ( 1.439 -0.735 -1.365) 2.115 31.000 ( -0.802 1.641 2.173) 2.838 31.041 ( -1.726 3.012 -1.461) 3.767 31.300 ( -6.417 -6.106 3.145) 9.399 31.338 ( -4.631 -4.416 -0.804) 6.449 39.607 ( 0.941 1.160 0.474) 1.567 39.618 ( 0.979 1.205 -0.499) 1.631 39.702 ( -0.302 -0.608 0.376) 0.776 39.709 ( -0.057 -1.085 -0.225) 1.109 39.767 ( -0.352 0.115 1.255) 1.308 39.791 ( -1.552 1.232 -0.718) 2.107 39.829 ( -0.543 -0.648 0.209) 0.871 39.847 ( -1.098 -0.086 -1.146) 1.589 70.134 ( 18.129 5.182 1.996) 18.960 70.177 ( 17.960 6.871 -1.725) 19.307 70.533 ( 24.110 -3.922 3.584) 24.688 70.717 ( 39.595 -7.200 -15.070) 42.973 72.055 ( -14.417 2.230 4.090) 15.151 72.146 ( -14.567 7.001 -3.752) 16.591 72.351 ( -8.921 -3.914 13.847) 16.930 72.693 ( -6.984 -6.802 -16.778) 19.405 105.126 ( 0.494 0.315 1.040) 1.194 105.147 ( 0.760 0.049 0.033) 0.763 105.149 ( 0.934 0.003 0.140) 0.944 105.173 ( 0.930 -0.043 -1.198) 1.517 105.217 ( -0.866 -0.015 1.448) 1.688 105.245 ( -1.219 0.773 -1.169) 1.857 105.262 ( -0.646 -0.563 0.431) 0.959 105.276 ( -0.818 -0.254 -0.827) 1.191 ======================= Grid point 79 (31/36) ======================= q-point: ( 0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 9.983 8.282 18.289) 22.422 2.050 ( 10.922 16.217 15.206) 24.769 2.177 ( -1.724 4.299 -9.335) 10.421 2.309 ( -1.206 6.001 -6.078) 8.626 2.501 ( -5.971 3.866 10.712) 12.858 2.578 ( -7.620 -0.121 3.377) 8.336 2.698 ( -6.356 2.179 0.386) 6.730 2.737 ( -5.317 -0.576 -4.112) 6.746 2.779 ( -3.876 -0.661 4.529) 5.998 2.910 ( -0.674 -5.705 -1.213) 5.871 3.078 ( -5.471 -4.222 3.813) 7.893 3.170 ( -0.627 -2.505 9.101) 9.460 3.264 ( -6.203 0.477 -1.154) 6.328 3.284 ( 8.378 0.421 7.380) 11.173 3.302 ( -4.592 -3.819 1.060) 6.066 3.410 ( -4.373 -6.763 0.674) 8.082 3.573 ( 2.237 2.995 3.978) 5.459 3.632 ( -0.377 2.462 -2.384) 3.448 3.734 ( 4.907 2.622 5.390) 7.747 3.763 ( -1.854 9.766 3.200) 10.443 3.860 ( 1.104 -0.321 -5.243) 5.367 3.872 ( 8.564 -2.133 -6.004) 10.674 3.914 ( 0.758 4.429 2.151) 4.982 3.989 ( -3.018 3.296 -3.503) 5.678 4.030 ( 2.990 4.993 -4.222) 7.190 4.251 ( -1.362 1.917 -2.603) 3.508 4.285 ( 1.116 0.787 -11.810) 11.888 4.337 ( 3.438 6.236 -11.454) 13.487 4.492 ( 4.300 0.806 0.637) 4.421 4.536 ( 1.515 2.660 -4.062) 5.086 4.684 ( 3.181 2.102 1.455) 4.081 4.736 ( -1.929 4.585 -1.199) 5.116 4.786 ( -3.786 6.200 -1.525) 7.423 4.818 ( 1.250 4.350 -5.161) 6.864 4.960 ( 4.013 1.261 5.949) 7.286 5.025 ( -0.030 -3.613 2.678) 4.498 5.089 ( 5.036 0.196 5.316) 7.325 5.137 ( 2.954 0.412 5.063) 5.876 5.207 ( -2.764 -2.068 -3.321) 4.790 5.289 ( 3.109 -2.877 2.774) 5.063 5.319 ( -3.613 -0.653 -4.632) 5.910 5.366 ( 11.327 -3.837 -3.592) 12.487 5.397 ( 2.699 -2.366 0.229) 3.597 5.495 ( 7.253 -6.317 -5.798) 11.231 5.532 ( 0.212 -1.400 1.109) 1.799 5.580 ( 2.205 -0.319 -4.097) 4.664 5.667 ( -2.916 -2.409 6.121) 7.195 5.704 ( 6.345 -3.842 1.221) 7.517 5.805 ( -1.583 -1.482 0.206) 2.178 5.864 ( -5.992 -5.051 -2.272) 8.160 5.915 ( -5.740 -4.562 -2.164) 7.645 5.938 ( -4.745 -3.790 -2.600) 6.606 6.140 ( -2.307 -1.358 3.847) 4.687 6.187 ( -1.418 -2.641 4.096) 5.076 6.234 ( -1.145 -12.317 4.851) 13.287 6.349 ( -0.994 -0.784 -4.513) 4.687 6.409 ( 0.505 -0.221 0.995) 1.137 6.431 ( -4.625 3.603 -6.254) 8.572 6.497 ( -7.729 -6.923 -4.749) 11.411 6.545 ( -5.983 0.719 -7.853) 9.899 6.691 ( 5.040 8.750 4.162) 10.922 6.727 ( 2.258 4.939 0.636) 5.467 6.909 ( -5.835 5.773 5.563) 9.916 6.962 ( -1.908 3.339 6.822) 7.831 7.060 ( -2.738 5.216 -3.323) 6.763 7.111 ( 1.832 -1.714 -2.625) 3.631 7.167 ( -2.979 1.214 1.710) 3.643 7.220 ( 0.689 -1.947 -2.667) 3.373 7.314 ( 3.528 5.562 1.109) 6.679 7.357 ( 3.714 -1.723 -2.532) 4.814 7.413 ( 3.192 -0.006 3.304) 4.594 7.435 ( 0.341 -0.840 5.889) 5.958 7.496 ( 0.314 -1.441 -2.038) 2.516 7.563 ( -0.822 0.166 -4.533) 4.610 7.624 ( -6.299 0.889 0.919) 6.428 7.652 ( -4.271 0.577 -1.609) 4.601 7.744 ( -2.322 -3.969 0.579) 4.634 7.776 ( 0.250 -4.273 -2.603) 5.010 7.871 ( -6.174 -1.963 0.668) 6.512 7.936 ( -3.829 0.664 -4.451) 5.909 8.241 ( -0.361 -1.550 3.738) 4.063 8.253 ( 3.388 1.031 3.355) 4.878 8.328 ( -1.096 1.876 -1.305) 2.534 8.382 ( -1.870 0.324 -3.827) 4.272 8.509 ( 4.242 -1.500 1.920) 4.892 8.563 ( 0.542 -1.644 -1.853) 2.536 8.592 ( -1.743 -3.551 3.444) 5.245 8.706 ( -4.052 -0.838 -3.984) 5.744 8.802 ( 4.039 0.940 2.699) 4.947 8.861 ( 3.477 0.995 -2.033) 4.149 8.878 ( 3.097 1.293 1.814) 3.815 8.892 ( 3.240 -1.054 0.339) 3.424 9.174 ( 2.843 3.506 3.544) 5.739 9.237 ( 5.335 -1.182 -3.898) 6.713 9.330 ( -0.665 -3.906 -0.396) 3.982 9.345 ( 0.777 -3.107 -2.370) 3.984 9.524 ( -0.214 2.842 1.425) 3.187 9.584 ( 0.749 1.266 -1.739) 2.278 9.607 ( -4.124 1.218 4.730) 6.392 9.652 ( 1.902 -0.653 0.542) 2.083 9.743 ( 0.451 1.876 -1.520) 2.456 9.786 ( 0.486 0.635 -2.741) 2.855 9.861 ( -3.369 -0.053 8.019) 8.698 9.910 ( 0.206 2.273 3.312) 4.022 9.970 ( -1.959 -1.633 1.436) 2.927 10.001 ( 4.220 0.728 -3.462) 5.507 10.127 ( 0.550 -2.032 1.287) 2.468 10.170 ( -1.157 -1.309 0.086) 1.749 10.317 ( -0.048 2.147 0.470) 2.198 10.334 ( 0.766 -1.367 5.228) 5.457 10.383 ( 1.529 -2.007 -3.825) 4.582 10.460 ( -1.033 0.460 -5.081) 5.206 10.702 ( 1.120 7.934 2.068) 8.275 10.742 ( -0.044 4.915 -0.349) 4.928 10.801 ( -0.921 5.319 0.091) 5.399 10.861 ( -2.243 3.732 -2.332) 4.939 10.956 ( 5.659 -1.766 0.235) 5.933 10.994 ( 5.183 -0.493 -3.233) 6.129 11.162 ( -4.862 -7.093 2.157) 8.866 11.225 ( -4.363 -6.057 -3.431) 8.216 11.583 ( 3.278 4.118 6.374) 8.266 11.656 ( 4.059 3.046 0.598) 5.110 11.702 ( -1.598 -0.147 3.342) 3.708 11.740 ( 0.555 1.426 0.168) 1.539 11.805 ( 5.032 2.988 0.983) 5.934 11.834 ( 4.798 4.020 -1.677) 6.480 12.037 ( -3.064 -3.452 3.803) 5.980 12.064 ( -0.498 -3.671 0.096) 3.706 12.108 ( -5.594 0.249 -0.910) 5.673 12.136 ( 0.993 -0.174 -3.772) 3.904 12.210 ( -10.750 -1.286 4.221) 11.620 12.270 ( -4.441 2.339 -0.955) 5.109 12.387 ( -0.841 -5.928 -1.096) 6.087 12.432 ( 1.074 -3.910 -3.263) 5.204 12.499 ( -3.425 -8.016 -1.051) 8.781 12.621 ( -4.843 -3.825 -8.941) 10.864 13.705 ( 0.956 1.344 2.700) 3.164 13.714 ( 1.748 0.563 1.294) 2.247 13.824 ( -1.018 2.602 -0.102) 2.796 13.876 ( -3.364 1.783 -3.322) 5.052 13.951 ( 0.454 -2.510 2.777) 3.771 13.972 ( 0.915 -2.917 1.334) 3.336 14.080 ( -2.512 -4.366 0.399) 5.052 14.104 ( -3.000 -4.244 -0.891) 5.273 14.547 ( 9.590 0.659 2.513) 9.936 14.596 ( 10.500 1.591 -1.459) 10.720 14.666 ( 8.514 -0.578 3.057) 9.064 14.685 ( 2.360 1.008 1.983) 3.244 14.722 ( 3.882 6.614 0.476) 7.684 14.776 ( 6.661 4.022 -2.130) 8.067 14.845 ( 3.711 0.147 2.806) 4.655 14.881 ( 7.344 -0.145 -1.662) 7.531 15.048 ( -0.610 -2.057 0.975) 2.357 15.078 ( -0.494 -6.810 1.955) 7.102 15.096 ( -1.274 -2.958 -2.839) 4.293 15.121 ( -2.583 -2.461 -1.335) 3.809 15.447 ( -3.561 8.210 1.297) 9.042 15.492 ( 1.873 4.350 -4.008) 6.204 15.509 ( -4.184 3.886 6.124) 8.374 15.655 ( -4.218 1.116 -6.280) 7.647 21.793 ( 1.831 0.329 3.599) 4.051 21.824 ( 1.159 -0.149 4.933) 5.069 21.864 ( 1.774 -0.462 -0.799) 2.000 21.885 ( -0.340 -0.668 2.185) 2.310 21.967 ( 1.357 1.038 -2.204) 2.789 22.022 ( -6.223 -0.725 6.469) 9.005 22.038 ( -2.588 1.258 -5.097) 5.853 22.159 ( -6.824 -1.568 -5.433) 8.863 22.324 ( 1.253 1.465 1.748) 2.602 22.372 ( -0.016 1.663 -2.670) 3.145 22.471 ( -3.301 -1.278 0.893) 3.651 22.482 ( -5.082 -0.557 0.038) 5.113 22.571 ( -0.586 1.229 1.143) 1.778 22.598 ( 1.109 -0.792 -1.369) 1.932 22.726 ( -5.100 -2.599 0.812) 5.782 22.739 ( -6.240 -3.016 -0.484) 6.947 23.294 ( 6.684 2.304 2.350) 7.450 23.348 ( 8.581 3.225 -2.430) 9.484 23.397 ( 4.108 1.071 4.966) 6.534 23.492 ( 2.550 -1.412 3.065) 4.229 23.548 ( 2.068 1.741 -3.502) 4.424 23.582 ( 1.434 -1.035 6.008) 6.263 23.646 ( 4.455 -2.038 -5.884) 7.656 23.745 ( 0.288 -1.940 -8.119) 8.352 25.157 ( 6.148 1.229 4.559) 7.752 25.233 ( 5.736 -0.434 -0.737) 5.800 25.269 ( 6.543 0.041 -1.739) 6.770 25.283 ( 4.467 0.547 -1.281) 4.679 25.515 ( -0.622 0.602 4.220) 4.307 25.587 ( -2.666 0.013 -0.829) 2.792 25.672 ( -4.011 -1.546 -1.689) 4.619 25.728 ( -8.764 -1.415 -4.487) 9.947 26.899 ( 4.602 0.659 4.288) 6.324 26.977 ( 4.297 1.758 -2.852) 5.448 27.074 ( -2.337 -2.968 5.245) 6.464 27.103 ( -2.122 -2.796 6.198) 7.123 27.156 ( -2.674 -1.340 4.338) 5.269 27.209 ( -5.037 0.033 -0.385) 5.052 27.280 ( -1.913 -4.762 -3.314) 6.109 27.304 ( -3.243 0.024 -5.806) 6.650 28.455 ( 4.599 6.274 2.001) 8.032 28.501 ( 2.913 6.536 -2.154) 7.473 28.645 ( -4.679 6.054 1.421) 7.782 28.653 ( -4.343 5.744 0.632) 7.229 29.041 ( 9.548 -1.503 1.082) 9.726 29.130 ( 9.221 -1.650 -7.695) 12.122 29.406 ( -8.779 -5.057 -0.283) 10.136 29.448 ( -7.003 -6.780 -3.941) 10.514 30.823 ( 2.572 1.448 1.547) 3.333 30.856 ( 2.727 1.665 -1.458) 3.512 30.924 ( -1.373 1.103 1.612) 2.387 30.934 ( 0.724 0.100 1.011) 1.247 31.006 ( -0.485 1.085 0.007) 1.189 31.024 ( 3.433 -1.261 -1.363) 3.903 31.169 ( -7.105 -3.696 4.202) 9.044 31.231 ( -6.449 -3.392 -1.884) 7.526 39.631 ( 1.600 1.097 0.515) 2.007 39.643 ( 1.695 1.112 -0.567) 2.105 39.690 ( -1.096 0.530 0.542) 1.332 39.703 ( -0.807 0.028 -0.649) 1.036 39.766 ( 0.256 -0.302 0.625) 0.740 39.772 ( -0.073 -0.207 0.074) 0.231 39.809 ( -1.481 -0.837 0.231) 1.717 39.820 ( -1.749 -0.448 -0.681) 1.930 70.580 ( 28.962 5.158 2.885) 29.559 70.641 ( 30.355 8.425 -2.156) 31.576 71.075 ( 31.941 -5.962 11.442) 34.448 71.476 ( 35.662 -12.467 -25.684) 45.683 71.691 ( -21.810 2.987 2.695) 22.178 71.773 ( -25.180 8.286 -3.277) 26.710 72.093 ( -19.145 -5.247 14.739) 24.724 72.487 ( -15.693 -9.435 -20.707) 27.642 105.141 ( 1.100 0.331 0.980) 1.510 105.161 ( 0.915 0.333 -0.654) 1.173 105.173 ( 1.165 -0.513 0.843) 1.526 105.189 ( -0.241 -0.678 0.010) 0.719 105.202 ( 0.383 0.574 0.223) 0.725 105.221 ( -1.105 0.891 -0.974) 1.722 105.244 ( -1.212 -0.480 0.275) 1.332 105.256 ( -1.391 -0.247 -0.719) 1.585 ======================= Grid point 80 (32/36) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -13.103 3.892 11.384) 17.788 2.084 ( 13.103 3.892 11.384) 17.788 2.202 ( -4.846 6.553 0.802) 8.190 2.202 ( 4.846 6.553 0.802) 8.190 2.517 ( -2.909 4.201 3.775) 6.353 2.517 ( 2.909 4.201 3.775) 6.353 2.568 ( -5.019 2.911 -2.263) 6.228 2.568 ( 5.019 2.911 -2.263) 6.228 2.857 ( -7.129 -3.017 10.511) 13.054 2.857 ( 7.129 -3.017 10.511) 13.054 3.088 ( -7.325 -0.057 -6.193) 9.592 3.088 ( 7.325 -0.057 -6.193) 9.592 3.245 ( -5.311 -0.895 7.371) 9.129 3.245 ( 5.311 -0.895 7.371) 9.129 3.323 ( -5.065 -6.677 -1.230) 8.471 3.323 ( 5.065 -6.677 -1.230) 8.471 3.647 ( -7.037 4.697 3.252) 9.064 3.647 ( 7.037 4.697 3.252) 9.064 3.764 ( -8.798 5.911 3.490) 11.159 3.764 ( 8.798 5.911 3.490) 11.159 3.866 ( -3.695 0.618 -4.364) 5.752 3.866 ( 3.695 0.618 -4.364) 5.752 4.029 ( -9.457 0.552 -11.389) 14.813 4.029 ( 9.457 0.552 -11.389) 14.813 4.131 ( -10.305 1.013 1.731) 10.498 4.131 ( 10.305 1.013 1.731) 10.498 4.286 ( -7.987 3.459 -7.615) 11.565 4.286 ( 7.987 3.459 -7.615) 11.565 4.587 ( -6.724 4.403 -0.374) 8.046 4.587 ( 6.724 4.403 -0.374) 8.046 4.642 ( -5.685 5.867 -5.664) 9.941 4.642 ( 5.685 5.867 -5.664) 9.941 4.904 ( -7.721 1.039 1.917) 8.023 4.904 ( 7.721 1.039 1.917) 8.023 4.974 ( -6.390 0.362 -2.385) 6.831 4.974 ( 6.390 0.362 -2.385) 6.831 5.119 ( -5.734 4.011 4.440) 8.287 5.119 ( 5.734 4.011 4.440) 8.287 5.214 ( -1.583 1.080 -2.241) 2.948 5.214 ( 1.583 1.080 -2.241) 2.948 5.430 ( -5.571 -3.199 8.318) 10.510 5.430 ( 5.571 -3.199 8.318) 10.510 5.505 ( -4.786 -3.210 2.479) 6.273 5.505 ( 4.786 -3.210 2.479) 6.273 5.601 ( -4.269 -5.534 0.337) 6.998 5.601 ( 4.269 -5.534 0.337) 6.998 5.712 ( -5.513 -2.839 -2.378) 6.641 5.712 ( 5.513 -2.839 -2.378) 6.641 5.770 ( -5.466 -6.715 -3.647) 9.396 5.770 ( 5.466 -6.715 -3.647) 9.396 5.892 ( -3.955 -5.569 -7.020) 9.795 5.892 ( 3.955 -5.569 -7.020) 9.795 6.138 ( -2.957 -10.050 6.933) 12.562 6.138 ( 2.957 -10.050 6.933) 12.562 6.252 ( -9.054 -0.681 -1.130) 9.150 6.252 ( 9.054 -0.681 -1.130) 9.150 6.370 ( -1.793 1.596 -1.412) 2.785 6.370 ( 1.793 1.596 -1.412) 2.785 6.459 ( -1.321 -2.118 -6.428) 6.896 6.459 ( 1.321 -2.118 -6.428) 6.896 6.797 ( -5.787 8.349 4.412) 11.075 6.797 ( 5.787 8.349 4.412) 11.075 6.873 ( -9.129 9.545 -0.494) 13.217 6.873 ( 9.129 9.545 -0.494) 13.217 7.066 ( -5.174 5.449 4.136) 8.577 7.066 ( 5.174 5.449 4.136) 8.577 7.176 ( -4.188 -1.376 -3.924) 5.901 7.176 ( 4.188 -1.376 -3.924) 5.901 7.374 ( -2.537 0.645 4.954) 5.603 7.374 ( 2.537 0.645 4.954) 5.603 7.457 ( -1.160 -0.439 0.096) 1.244 7.457 ( 1.160 -0.439 0.096) 1.244 7.519 ( -4.780 -0.312 0.060) 4.791 7.519 ( 4.780 -0.312 0.060) 4.791 7.584 ( -2.737 -0.888 -3.890) 4.839 7.584 ( 2.737 -0.888 -3.890) 4.839 7.761 ( -3.940 -5.097 1.133) 6.542 7.761 ( 3.940 -5.097 1.133) 6.542 7.838 ( -5.213 -3.684 -5.245) 8.262 7.838 ( 5.213 -3.684 -5.245) 8.262 8.272 ( -2.537 0.488 2.434) 3.550 8.272 ( 2.537 0.488 2.434) 3.550 8.336 ( -3.097 1.597 -1.596) 3.832 8.336 ( 3.097 1.597 -1.596) 3.832 8.556 ( -0.793 -1.706 1.387) 2.338 8.556 ( 0.793 -1.706 1.387) 2.338 8.617 ( -4.552 -1.593 -3.146) 5.758 8.617 ( 4.552 -1.593 -3.146) 5.758 8.871 ( -2.644 1.828 3.509) 4.759 8.871 ( 2.644 1.828 3.509) 4.759 8.923 ( -1.482 -0.367 -0.753) 1.702 8.923 ( 1.482 -0.367 -0.753) 1.702 9.266 ( -5.567 -1.543 3.147) 6.579 9.266 ( 5.567 -1.543 3.147) 6.579 9.322 ( -3.168 -3.782 -3.493) 6.045 9.322 ( 3.168 -3.782 -3.493) 6.045 9.542 ( -2.280 3.050 3.493) 5.168 9.542 ( 2.280 3.050 3.493) 5.168 9.635 ( -3.962 -0.176 -2.823) 4.868 9.635 ( 3.962 -0.176 -2.823) 4.868 9.767 ( -4.677 1.709 4.525) 6.728 9.767 ( 4.677 1.709 4.525) 6.728 9.860 ( -5.414 -0.613 -0.580) 5.479 9.860 ( 5.414 -0.613 -0.580) 5.479 10.021 ( -6.194 1.643 4.112) 7.614 10.021 ( 6.194 1.643 4.112) 7.614 10.130 ( -4.922 1.716 -4.729) 7.038 10.130 ( 4.922 1.716 -4.729) 7.038 10.330 ( -1.230 -2.781 3.461) 4.607 10.330 ( 1.230 -2.781 3.461) 4.607 10.423 ( -2.407 -1.153 -4.108) 4.899 10.423 ( 2.407 -1.153 -4.108) 4.899 10.727 ( -1.499 6.733 3.108) 7.565 10.727 ( 1.499 6.733 3.108) 7.565 10.813 ( -2.271 5.321 -4.638) 7.415 10.813 ( 2.271 5.321 -4.638) 7.415 11.065 ( -5.716 -4.694 2.058) 7.677 11.065 ( 5.716 -4.694 2.058) 7.677 11.116 ( -6.935 -3.516 -2.526) 8.175 11.116 ( 6.935 -3.516 -2.526) 8.175 11.648 ( -3.489 1.864 5.839) 7.053 11.648 ( 3.489 1.864 5.839) 7.053 11.721 ( -2.429 2.480 -0.001) 3.471 11.721 ( 2.429 2.480 -0.001) 3.471 11.927 ( -5.019 1.505 2.025) 5.617 11.927 ( 5.019 1.505 2.025) 5.617 11.969 ( -5.308 3.843 -0.907) 6.616 11.969 ( 5.308 3.843 -0.907) 6.616 12.065 ( -1.862 -3.308 4.126) 5.607 12.065 ( 1.862 -3.308 4.126) 5.607 12.197 ( -4.075 -2.849 -6.541) 8.216 12.197 ( 4.075 -2.849 -6.541) 8.216 12.417 ( -4.205 -5.843 1.944) 7.457 12.417 ( 4.205 -5.843 1.944) 7.457 12.524 ( -5.580 -4.374 -7.827) 10.561 12.524 ( 5.580 -4.374 -7.827) 10.561 13.736 ( -1.202 1.305 3.782) 4.177 13.736 ( 1.202 1.305 3.782) 4.177 13.811 ( -1.943 3.098 -3.058) 4.767 13.811 ( 1.943 3.098 -3.058) 4.767 13.985 ( -1.457 -5.251 3.300) 6.371 13.985 ( 1.457 -5.251 3.300) 6.371 14.049 ( -1.396 -2.729 -1.929) 3.622 14.049 ( 1.396 -2.729 -1.929) 3.622 14.654 ( -3.523 2.026 2.465) 4.753 14.654 ( 3.523 2.026 2.465) 4.753 14.693 ( -2.881 2.600 -0.733) 3.950 14.693 ( 2.881 2.600 -0.733) 3.950 14.884 ( -8.378 -1.199 3.897) 9.317 14.884 ( 8.378 -1.199 3.897) 9.317 14.957 ( -7.105 -1.415 -1.692) 7.440 14.957 ( 7.105 -1.415 -1.692) 7.440 15.017 ( -3.901 0.325 2.199) 4.490 15.017 ( 3.901 0.325 2.199) 4.490 15.058 ( -2.307 -0.315 -1.607) 2.829 15.058 ( 2.307 -0.315 -1.607) 2.829 15.437 ( -2.533 5.054 4.034) 6.945 15.437 ( 2.533 5.054 4.034) 6.945 15.566 ( -5.049 1.249 -7.231) 8.907 15.566 ( 5.049 1.249 -7.231) 8.907 21.826 ( -1.415 0.184 5.033) 5.232 21.826 ( 1.415 0.184 5.033) 5.232 21.881 ( -1.581 -1.883 3.452) 4.237 21.881 ( 1.581 -1.883 3.452) 4.237 21.970 ( -1.651 2.385 -1.413) 3.227 21.970 ( 1.651 2.385 -1.413) 3.227 22.053 ( -4.290 -0.358 -5.705) 7.147 22.053 ( 4.290 -0.358 -5.705) 7.147 22.376 ( -4.346 1.266 1.088) 4.655 22.376 ( 4.346 1.266 1.088) 4.655 22.405 ( -3.397 0.957 -1.478) 3.826 22.405 ( 3.397 0.957 -1.478) 3.826 22.630 ( -4.849 -2.563 0.892) 5.557 22.630 ( 4.849 -2.563 0.892) 5.557 22.646 ( -3.388 -2.409 -0.471) 4.184 22.646 ( 3.388 -2.409 -0.471) 4.184 23.392 ( -3.489 2.450 3.655) 5.615 23.392 ( 3.489 2.450 3.655) 5.615 23.477 ( -4.929 2.380 -3.509) 6.502 23.477 ( 4.929 2.380 -3.509) 6.502 23.577 ( -2.016 -0.977 5.648) 6.076 23.577 ( 2.016 -0.977 5.648) 6.076 23.724 ( -2.812 -2.534 -7.348) 8.266 23.724 ( 2.812 -2.534 -7.348) 8.266 25.268 ( -4.704 1.261 4.019) 6.314 25.268 ( 4.704 1.261 4.019) 6.314 25.323 ( -1.808 0.197 -0.808) 1.990 25.323 ( 1.808 0.197 -0.808) 1.990 25.567 ( -7.102 -0.582 -0.757) 7.166 25.567 ( 7.102 -0.582 -0.757) 7.166 25.599 ( -3.591 -1.267 -3.808) 5.386 25.599 ( 3.591 -1.267 -3.808) 5.386 26.992 ( -5.131 0.082 4.799) 7.026 26.992 ( 5.131 0.082 4.799) 7.026 27.068 ( -3.895 0.408 -1.394) 4.157 27.068 ( 3.895 0.408 -1.394) 4.157 27.130 ( -1.357 -1.685 6.287) 6.648 27.130 ( 1.357 -1.685 6.287) 6.648 27.269 ( -0.711 -2.571 -5.676) 6.272 27.269 ( 0.711 -2.571 -5.676) 6.272 28.549 ( -5.162 6.417 1.326) 8.341 28.549 ( 5.162 6.417 1.326) 8.341 28.571 ( -4.096 6.518 -0.601) 7.722 28.571 ( 4.096 6.518 -0.601) 7.722 29.226 ( -9.972 -3.819 1.000) 10.725 29.226 ( 9.972 -3.819 1.000) 10.725 29.301 ( -8.560 -5.294 -6.082) 11.760 29.301 ( 8.560 -5.294 -6.082) 11.760 30.875 ( -2.981 1.610 1.773) 3.824 30.875 ( 2.981 1.610 1.773) 3.824 30.910 ( -2.858 1.802 -1.366) 3.644 30.910 ( 2.858 1.802 -1.366) 3.644 31.055 ( -5.039 -2.070 3.460) 6.453 31.055 ( 5.039 -2.070 3.460) 6.453 31.115 ( -5.874 -2.463 -2.183) 6.733 31.115 ( 5.874 -2.463 -2.183) 6.733 39.663 ( -1.718 0.978 0.580) 2.060 39.663 ( 1.718 0.978 0.580) 2.060 39.677 ( -1.822 0.915 -0.701) 2.156 39.677 ( 1.822 0.915 -0.701) 2.156 39.780 ( -1.362 -0.782 0.468) 1.639 39.780 ( 1.362 -0.782 0.468) 1.639 39.788 ( -1.486 -0.709 -0.266) 1.668 39.788 ( 1.486 -0.709 -0.266) 1.668 71.145 ( -30.854 4.516 3.724) 31.404 71.145 ( 30.854 4.516 3.724) 31.404 71.224 ( -30.895 8.770 -2.878) 32.244 71.224 ( 30.895 8.770 -2.878) 32.244 71.657 ( -27.290 -5.985 14.886) 31.657 71.657 ( 27.290 -5.985 14.886) 31.657 72.101 ( -26.615 -12.312 -25.775) 39.042 72.101 ( 26.615 -12.312 -25.775) 39.042 105.165 ( -1.366 0.188 0.986) 1.695 105.165 ( 1.366 0.188 0.986) 1.695 105.179 ( -0.842 0.040 -0.173) 0.861 105.179 ( 0.842 0.040 -0.173) 0.861 105.220 ( -0.890 -0.061 -0.099) 0.898 105.220 ( 0.890 -0.061 -0.099) 0.898 105.228 ( -1.369 -0.078 -0.710) 1.544 105.228 ( 1.369 -0.078 -0.710) 1.544 ======================= Grid point 84 (33/36) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 0.000 20.837 20.272) 29.072 2.192 ( 0.000 16.259 23.480) 28.559 2.375 ( 0.000 1.825 -3.773) 4.191 2.410 ( 0.000 -15.078 8.563) 17.340 2.613 ( 0.000 7.449 -4.688) 8.801 2.682 ( 0.000 -4.617 2.954) 5.482 2.773 ( 0.000 1.809 -10.784) 10.935 2.845 ( 0.000 -2.641 6.287) 6.819 2.941 ( 0.000 6.490 -4.937) 8.154 3.006 ( 0.000 0.476 4.471) 4.496 3.018 ( 0.000 -0.739 -7.215) 7.252 3.074 ( 0.000 -3.398 -4.542) 5.673 3.104 ( 0.000 0.394 1.323) 1.380 3.178 ( 0.000 -6.532 0.495) 6.551 3.230 ( 0.000 -0.138 -5.659) 5.661 3.311 ( 0.000 -8.001 -10.200) 12.964 3.727 ( 0.000 1.581 1.828) 2.417 3.734 ( 0.000 9.324 8.290) 12.476 3.764 ( 0.000 -0.706 2.055) 2.173 3.786 ( 0.000 -1.841 -3.628) 4.068 3.828 ( 0.000 12.143 8.610) 14.885 4.044 ( 0.000 7.036 4.146) 8.166 4.098 ( 0.000 6.534 -0.092) 6.535 4.119 ( 0.000 -2.263 8.006) 8.320 4.177 ( 0.000 -5.045 7.460) 9.006 4.247 ( 0.000 14.588 -15.054) 20.962 4.288 ( 0.000 -14.005 4.179) 14.615 4.348 ( 0.000 0.923 -0.148) 0.935 4.379 ( 0.000 10.242 11.420) 15.340 4.541 ( 0.000 -3.260 3.927) 5.104 4.584 ( 0.000 6.324 3.053) 7.022 4.615 ( 0.000 -1.954 -4.988) 5.357 4.646 ( 0.000 -11.770 2.492) 12.031 4.700 ( 0.000 0.369 -6.598) 6.608 4.770 ( 0.000 -7.794 1.209) 7.887 4.818 ( 0.000 -11.468 -9.287) 14.757 4.932 ( 0.000 2.052 3.421) 3.989 4.982 ( 0.000 -1.851 4.909) 5.246 5.156 ( 0.000 5.664 -12.571) 13.788 5.201 ( 0.000 0.234 -12.463) 12.466 5.371 ( 0.000 4.507 3.647) 5.797 5.456 ( 0.000 3.299 -3.119) 4.540 5.460 ( 0.000 -5.354 2.779) 6.032 5.504 ( 0.000 -0.261 1.402) 1.427 5.709 ( 0.000 0.207 2.765) 2.773 5.719 ( 0.000 0.032 5.230) 5.230 5.773 ( 0.000 6.720 8.036) 10.476 5.781 ( 0.000 2.544 3.303) 4.169 5.814 ( 0.000 0.184 -1.528) 1.539 5.834 ( 0.000 -1.382 -2.313) 2.694 5.913 ( 0.000 -2.547 0.407) 2.579 5.927 ( 0.000 -4.073 0.811) 4.153 5.978 ( 0.000 -1.039 -0.048) 1.040 6.042 ( 0.000 2.559 -10.486) 10.794 6.168 ( 0.000 -11.589 -11.494) 16.323 6.207 ( 0.000 -3.553 -11.883) 12.402 6.468 ( 0.000 1.648 3.431) 3.806 6.526 ( 0.000 -5.400 1.106) 5.513 6.596 ( 0.000 -2.506 -8.062) 8.443 6.597 ( 0.000 -4.185 -5.716) 7.085 6.723 ( 0.000 4.910 1.472) 5.126 6.812 ( 0.000 5.516 -5.814) 8.015 6.821 ( 0.000 -4.534 1.043) 4.653 6.895 ( 0.000 -2.672 -3.575) 4.463 7.030 ( 0.000 1.698 10.830) 10.962 7.082 ( 0.000 -2.490 8.758) 9.105 7.185 ( 0.000 3.858 -0.327) 3.872 7.214 ( 0.000 3.416 1.796) 3.859 7.264 ( 0.000 -2.315 -3.454) 4.158 7.292 ( 0.000 -1.034 -1.931) 2.190 7.326 ( 0.000 -0.761 -5.641) 5.692 7.337 ( 0.000 -0.702 -2.999) 3.080 7.708 ( 0.000 4.241 4.692) 6.324 7.758 ( 0.000 -1.496 4.064) 4.330 7.768 ( 0.000 1.421 -0.178) 1.432 7.779 ( 0.000 -3.525 2.561) 4.357 7.881 ( 0.000 2.784 6.025) 6.637 7.885 ( 0.000 5.641 -0.430) 5.657 7.952 ( 0.000 4.980 -4.946) 7.019 8.003 ( 0.000 -1.148 -4.927) 5.059 8.163 ( 0.000 -1.609 9.555) 9.689 8.239 ( 0.000 -8.754 4.602) 9.890 8.344 ( 0.000 -1.059 -3.143) 3.317 8.380 ( 0.000 -3.172 -7.284) 7.945 8.452 ( 0.000 5.649 5.597) 7.952 8.549 ( 0.000 -4.560 4.940) 6.723 8.559 ( 0.000 4.977 -2.366) 5.511 8.648 ( 0.000 -2.820 -2.777) 3.958 8.740 ( 0.000 2.847 3.322) 4.375 8.765 ( 0.000 0.022 2.868) 2.868 8.820 ( 0.000 1.387 -2.164) 2.571 8.833 ( 0.000 0.537 -4.010) 4.046 9.221 ( 0.000 2.688 1.234) 2.958 9.268 ( 0.000 3.439 -0.111) 3.441 9.286 ( 0.000 -3.558 3.768) 5.183 9.339 ( 0.000 -3.017 0.420) 3.047 9.558 ( 0.000 4.459 -2.055) 4.910 9.615 ( 0.000 2.939 -4.862) 5.681 9.629 ( 0.000 -3.509 1.263) 3.729 9.676 ( 0.000 -2.748 -0.767) 2.853 9.712 ( 0.000 1.767 2.977) 3.462 9.762 ( 0.000 -4.221 -0.014) 4.221 9.768 ( 0.000 1.265 -2.394) 2.708 9.799 ( 0.000 -1.993 -2.762) 3.406 10.014 ( 0.000 -0.740 3.717) 3.790 10.015 ( 0.000 -0.630 3.635) 3.689 10.085 ( 0.000 -0.917 -2.762) 2.910 10.085 ( 0.000 -0.732 -2.205) 2.324 10.349 ( 0.000 1.476 5.173) 5.380 10.360 ( 0.000 0.416 5.788) 5.803 10.442 ( 0.000 2.828 -2.160) 3.558 10.447 ( 0.000 2.254 -0.824) 2.400 10.740 ( 0.000 2.746 3.939) 4.802 10.761 ( 0.000 -0.100 4.630) 4.632 10.888 ( 0.000 4.496 -6.971) 8.295 10.917 ( 0.000 6.056 -11.608) 13.092 10.970 ( 0.000 4.067 2.225) 4.636 11.052 ( 0.000 0.165 -5.687) 5.690 11.072 ( 0.000 -9.273 -0.261) 9.276 11.091 ( 0.000 -6.918 -1.445) 7.067 11.625 ( 0.000 2.813 8.849) 9.285 11.664 ( 0.000 -1.086 7.459) 7.538 11.696 ( 0.000 4.017 1.442) 4.268 11.730 ( 0.000 5.103 -1.605) 5.349 11.777 ( 0.000 -1.654 -1.013) 1.940 11.832 ( 0.000 7.936 -8.719) 11.790 11.860 ( 0.000 -8.862 -0.673) 8.888 11.989 ( 0.000 -8.393 -11.903) 14.564 12.185 ( 0.000 0.494 7.879) 7.894 12.198 ( 0.000 -1.517 9.998) 10.112 12.346 ( 0.000 3.237 -5.746) 6.595 12.354 ( 0.000 0.730 -3.651) 3.723 12.434 ( 0.000 3.566 6.858) 7.730 12.580 ( 0.000 -10.249 1.516) 10.361 12.582 ( 0.000 2.707 -6.598) 7.132 12.669 ( 0.000 -6.880 -5.761) 8.974 13.751 ( 0.000 0.640 4.708) 4.751 13.765 ( 0.000 -1.054 6.341) 6.428 13.872 ( 0.000 2.502 -5.217) 5.786 13.897 ( 0.000 0.015 2.826) 2.826 13.902 ( 0.000 -0.672 -3.861) 3.919 13.906 ( 0.000 -1.152 2.259) 2.535 13.976 ( 0.000 0.331 -3.411) 3.427 13.986 ( 0.000 -0.536 -3.256) 3.299 14.308 ( 0.000 5.299 3.722) 6.475 14.365 ( 0.000 4.936 -1.012) 5.039 14.404 ( 0.000 -4.799 3.527) 5.956 14.443 ( 0.000 -3.778 0.325) 3.792 14.784 ( 0.000 2.956 0.657) 3.028 14.803 ( 0.000 3.600 -0.148) 3.603 14.805 ( 0.000 -0.745 1.558) 1.727 14.844 ( 0.000 -0.952 -1.103) 1.458 14.915 ( 0.000 -1.616 0.060) 1.617 14.942 ( 0.000 -3.413 0.482) 3.447 14.962 ( 0.000 -1.006 -3.755) 3.887 15.001 ( 0.000 -3.091 -5.038) 5.911 15.635 ( 0.000 2.697 5.973) 6.554 15.639 ( 0.000 1.701 8.103) 8.279 15.711 ( 0.000 5.106 -1.566) 5.341 15.757 ( 0.000 -0.111 -3.197) 3.199 21.772 ( 0.000 1.025 2.331) 2.547 21.791 ( 0.000 -0.853 3.071) 3.188 21.830 ( 0.000 1.483 -2.869) 3.229 21.858 ( 0.000 -1.452 -2.453) 2.850 22.014 ( 0.000 3.947 7.593) 8.557 22.117 ( 0.000 -6.989 8.142) 10.730 22.165 ( 0.000 3.879 -5.737) 6.926 22.244 ( 0.000 -4.225 -4.133) 5.910 22.370 ( 0.000 -0.015 4.191) 4.191 22.379 ( 0.000 -1.247 4.161) 4.344 22.475 ( 0.000 -0.223 -5.585) 5.590 22.483 ( 0.000 -1.312 -5.376) 5.534 22.826 ( 0.000 2.408 3.247) 4.042 22.861 ( 0.000 -1.274 3.168) 3.415 22.891 ( 0.000 2.630 -2.344) 3.523 22.920 ( 0.000 -0.536 -1.947) 2.020 23.096 ( 0.000 0.930 0.309) 0.980 23.105 ( 0.000 0.734 -0.263) 0.780 23.115 ( 0.000 -0.664 0.606) 0.898 23.123 ( 0.000 -1.299 -0.034) 1.299 23.474 ( 0.000 0.317 6.894) 6.901 23.481 ( 0.000 -0.444 8.641) 8.653 23.639 ( 0.000 2.023 -8.101) 8.350 23.679 ( 0.000 -2.082 -9.363) 9.592 25.047 ( 0.000 0.579 4.079) 4.119 25.056 ( 0.000 -0.313 3.299) 3.314 25.125 ( 0.000 0.667 -3.084) 3.156 25.134 ( 0.000 -0.087 -3.873) 3.874 25.595 ( 0.000 3.847 7.319) 8.269 25.680 ( 0.000 -5.092 8.328) 9.761 25.745 ( 0.000 4.991 -6.497) 8.193 25.839 ( 0.000 -4.786 -6.500) 8.072 26.850 ( 0.000 3.176 5.467) 6.323 26.939 ( 0.000 -6.667 7.024) 9.684 26.953 ( 0.000 4.224 -4.032) 5.840 27.057 ( 0.000 -6.452 -3.998) 7.591 27.230 ( 0.000 0.949 5.822) 5.898 27.260 ( 0.000 -2.521 6.680) 7.140 27.347 ( 0.000 2.638 -4.873) 5.541 27.401 ( 0.000 -2.931 -6.167) 6.828 28.483 ( 0.000 6.696 4.447) 8.038 28.584 ( 0.000 6.117 -4.430) 7.552 28.605 ( 0.000 -5.986 4.316) 7.379 28.696 ( 0.000 -5.547 -3.699) 6.667 29.077 ( 0.000 16.624 3.308) 16.950 29.210 ( 0.000 14.342 -9.304) 17.096 29.371 ( 0.000 -13.898 0.843) 13.924 29.445 ( 0.000 -10.402 -6.026) 12.021 30.803 ( 0.000 2.023 1.504) 2.520 30.836 ( 0.000 2.253 -1.539) 2.729 30.842 ( 0.000 -1.997 1.712) 2.631 30.880 ( 0.000 -2.214 -1.751) 2.822 31.085 ( 0.000 5.454 3.934) 6.725 31.146 ( 0.000 5.856 -1.897) 6.156 31.212 ( 0.000 -7.968 4.128) 8.973 31.268 ( 0.000 -6.796 -1.454) 6.949 39.629 ( 0.000 1.989 0.525) 2.057 39.640 ( 0.000 2.010 -0.513) 2.075 39.669 ( 0.000 -2.155 0.526) 2.218 39.679 ( 0.000 -1.968 -0.437) 2.016 39.788 ( 0.000 1.182 2.168) 2.469 39.811 ( 0.000 -1.149 1.861) 2.187 39.842 ( 0.000 1.155 -2.872) 3.096 39.855 ( 0.000 -0.365 -2.260) 2.289 70.067 ( 0.000 6.277 3.214) 7.052 70.166 ( 0.000 6.810 -6.347) 9.309 70.178 ( 0.000 -5.377 3.069) 6.192 70.266 ( 0.000 -3.841 -5.065) 6.357 72.251 ( 0.000 4.460 8.015) 9.172 72.346 ( 0.000 -5.177 11.597) 12.700 72.435 ( 0.000 9.132 -8.732) 12.635 72.611 ( 0.000 -9.079 -12.570) 15.506 105.128 ( 0.000 0.307 1.135) 1.176 105.133 ( 0.000 -0.175 1.262) 1.274 105.151 ( 0.000 0.473 -0.836) 0.961 105.160 ( 0.000 -0.426 -1.090) 1.171 105.233 ( 0.000 0.870 1.484) 1.720 105.252 ( 0.000 -0.997 0.970) 1.391 105.269 ( 0.000 0.510 -1.807) 1.877 105.278 ( 0.000 -0.416 -1.367) 1.429 ======================= Grid point 85 (34/36) ======================= q-point: ( 0.17 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 0.629 18.245 18.666) 26.109 2.235 ( 3.586 13.010 19.756) 23.926 2.337 ( -4.379 -1.156 0.452) 4.552 2.371 ( -2.677 -5.226 4.373) 7.321 2.625 ( 0.875 3.543 -1.728) 4.038 2.708 ( 2.517 -3.362 5.875) 7.222 2.755 ( -5.016 -1.145 1.915) 5.490 2.777 ( -3.299 1.728 -6.103) 7.149 2.855 ( -9.925 4.350 -4.037) 11.564 2.944 ( -1.519 3.546 -5.918) 7.064 2.995 ( -5.911 -8.589 -0.965) 10.471 3.092 ( 2.082 -6.931 -4.581) 8.565 3.170 ( 4.497 0.237 2.311) 5.062 3.219 ( 7.623 -4.677 2.169) 9.203 3.293 ( 4.452 2.982 -3.766) 6.549 3.355 ( 2.710 -2.626 -7.212) 8.140 3.650 ( -4.752 5.403 5.148) 8.848 3.715 ( -5.521 -0.383 -0.201) 5.538 3.717 ( -3.949 -0.457 2.298) 4.592 3.765 ( -2.220 -3.736 -1.137) 4.492 3.933 ( 1.040 15.060 7.930) 17.052 3.970 ( -2.416 3.911 1.937) 4.988 4.017 ( 1.587 3.270 3.328) 4.928 4.059 ( 0.983 6.464 7.063) 9.625 4.149 ( -0.155 -3.637 -4.259) 5.602 4.253 ( -1.119 -4.990 5.620) 7.598 4.321 ( 2.882 10.733 -8.002) 13.694 4.379 ( 0.437 4.753 -8.103) 9.405 4.489 ( 3.794 0.066 5.664) 6.818 4.560 ( -0.266 1.849 5.234) 5.557 4.622 ( -1.804 1.157 -2.695) 3.443 4.648 ( 3.067 -8.074 -2.552) 9.006 4.728 ( 17.189 -0.035 6.641) 18.428 4.790 ( 7.374 -6.113 3.731) 10.279 4.851 ( 11.251 -3.138 -5.506) 12.913 4.913 ( 8.376 -9.390 -5.704) 13.815 4.993 ( 4.876 4.055 1.999) 6.649 5.067 ( 5.562 -3.278 3.389) 7.291 5.125 ( -1.280 6.902 -7.509) 10.279 5.210 ( -2.551 0.115 -6.302) 6.800 5.279 ( -8.815 0.614 4.089) 9.736 5.366 ( -11.624 -3.920 5.480) 13.436 5.437 ( -1.668 1.675 -3.398) 4.139 5.458 ( -2.219 0.413 -2.953) 3.717 5.580 ( -2.636 2.972 0.138) 3.975 5.597 ( -6.255 3.742 -1.686) 7.482 5.698 ( -2.024 -2.443 -3.610) 4.806 5.708 ( -7.986 2.029 -4.795) 9.533 5.794 ( -1.241 -3.571 3.094) 4.885 5.838 ( -2.555 -8.446 5.853) 10.589 5.867 ( -4.003 -3.499 -2.894) 6.053 5.935 ( -4.820 -9.206 -0.163) 10.392 6.022 ( 5.489 6.200 1.998) 8.518 6.123 ( 2.714 0.937 -5.918) 6.578 6.219 ( -0.243 -6.632 -4.242) 7.877 6.255 ( -1.108 -5.304 -5.269) 7.558 6.448 ( 3.697 9.388 0.053) 10.090 6.525 ( 1.829 4.877 -6.474) 8.309 6.595 ( -0.612 -4.316 1.496) 4.609 6.676 ( 5.221 -7.457 -3.219) 9.656 6.740 ( -0.398 6.077 -0.697) 6.130 6.777 ( -1.943 3.866 -0.319) 4.338 6.867 ( 4.367 -2.933 1.219) 5.400 6.905 ( 0.682 -5.487 0.519) 5.553 7.056 ( 1.228 2.664 5.269) 6.031 7.099 ( 2.639 -0.528 3.010) 4.038 7.176 ( -0.713 2.666 -1.340) 3.068 7.232 ( -3.806 0.560 -5.110) 6.396 7.274 ( 4.222 2.145 0.785) 4.800 7.302 ( 1.536 -0.676 0.164) 1.686 7.322 ( 1.447 -2.252 -2.125) 3.418 7.377 ( 4.035 -4.042 -4.631) 7.353 7.631 ( -6.655 4.268 4.883) 9.292 7.671 ( -6.550 -0.038 3.299) 7.334 7.709 ( -4.832 -0.097 -0.535) 4.863 7.726 ( -4.223 -2.842 1.448) 5.292 7.811 ( -6.605 4.778 2.068) 8.410 7.860 ( -3.459 3.380 0.985) 4.936 7.926 ( -3.551 -0.480 -1.871) 4.042 7.994 ( -2.446 -2.840 -4.627) 5.955 8.211 ( 4.204 0.800 6.601) 7.867 8.238 ( -0.363 -2.846 5.090) 5.843 8.327 ( 0.796 0.404 -2.575) 2.726 8.385 ( -0.346 -3.961 -5.030) 6.412 8.472 ( 0.989 3.403 4.526) 5.749 8.546 ( -0.624 -3.446 6.283) 7.193 8.574 ( 1.021 5.933 -3.535) 6.982 8.681 ( 1.276 -4.440 -4.574) 6.501 8.755 ( 2.436 1.853 3.372) 4.554 8.785 ( 2.293 -1.183 2.076) 3.311 8.839 ( 1.749 1.019 -2.620) 3.311 8.845 ( 2.035 0.103 -3.529) 4.075 9.219 ( -1.099 1.500 2.567) 3.170 9.249 ( -2.019 1.684 1.725) 3.145 9.266 ( 0.058 -0.869 1.804) 2.003 9.303 ( -1.747 -1.619 -0.543) 2.443 9.590 ( -1.637 2.177 -1.086) 2.933 9.602 ( 2.107 0.846 -1.829) 2.915 9.621 ( -2.434 -1.198 0.199) 2.720 9.630 ( -0.229 -1.897 -0.930) 2.126 9.771 ( 2.815 2.807 0.907) 4.078 9.789 ( 2.521 1.625 -0.903) 3.132 9.812 ( 4.786 -1.642 1.825) 5.379 9.848 ( 4.368 -3.314 -0.720) 5.530 9.992 ( -1.520 1.441 3.925) 4.449 10.015 ( -0.854 -0.863 1.409) 1.860 10.057 ( -1.602 0.101 -0.681) 1.744 10.105 ( 1.524 -3.850 -3.823) 5.636 10.339 ( -0.965 0.918 4.430) 4.626 10.344 ( -1.155 0.651 6.380) 6.516 10.433 ( -0.459 3.536 -2.696) 4.470 10.472 ( 0.723 -0.095 -3.758) 3.828 10.771 ( 2.984 3.388 2.978) 5.408 10.796 ( 3.676 0.556 4.183) 5.597 10.883 ( -0.716 4.668 -6.280) 7.858 10.918 ( 0.223 3.446 -7.222) 8.005 10.956 ( -1.414 3.995 1.327) 4.441 11.021 ( -1.687 1.049 -1.707) 2.619 11.068 ( -1.514 -7.950 -1.941) 8.323 11.106 ( 0.828 -6.586 -3.819) 7.658 11.639 ( 1.398 3.022 7.642) 8.335 11.652 ( 0.028 1.108 5.328) 5.442 11.696 ( 0.360 3.080 1.394) 3.400 11.755 ( 1.014 0.935 -1.035) 1.725 11.790 ( 1.491 0.867 0.707) 1.864 11.841 ( 2.586 -1.117 -1.488) 3.186 11.894 ( 2.712 -0.047 -4.414) 5.181 12.005 ( 1.267 -6.968 -10.128) 12.359 12.169 ( -2.697 1.669 7.312) 7.971 12.201 ( -0.394 -0.628 4.067) 4.134 12.295 ( -3.629 0.817 -0.304) 3.733 12.328 ( -1.882 -0.134 -3.700) 4.153 12.422 ( -2.617 -0.801 3.219) 4.225 12.447 ( -10.725 -4.689 3.029) 12.091 12.516 ( -7.834 1.442 -4.466) 9.132 12.604 ( -4.666 -6.448 -7.455) 10.905 13.722 ( -0.974 1.007 4.411) 4.628 13.732 ( -1.184 0.158 5.689) 5.813 13.844 ( -0.918 1.818 -3.811) 4.321 13.886 ( -0.340 -1.929 -5.848) 6.167 13.945 ( 1.243 0.344 3.440) 3.674 13.968 ( 1.378 -1.010 0.705) 1.848 14.018 ( 1.388 -1.345 -1.537) 2.470 14.032 ( 2.115 -2.320 -2.017) 3.732 14.394 ( 9.455 4.605 3.207) 10.995 14.439 ( 8.767 3.718 -0.026) 9.523 14.478 ( 7.891 -2.905 2.730) 8.841 14.513 ( 7.839 -3.131 -0.033) 8.441 14.792 ( 0.874 3.167 1.490) 3.607 14.815 ( 1.872 0.567 1.346) 2.375 14.824 ( 1.410 4.625 -0.820) 4.904 14.866 ( 0.621 0.824 -2.996) 3.168 14.918 ( 2.592 -2.257 3.005) 4.565 14.960 ( 1.597 -4.597 0.638) 4.908 15.011 ( 3.664 -2.294 -4.424) 6.185 15.025 ( 2.702 -2.692 -5.688) 6.848 15.604 ( -2.975 2.623 5.895) 7.105 15.610 ( -2.996 1.848 6.911) 7.756 15.682 ( -3.051 5.053 -1.798) 6.170 15.731 ( -2.736 -0.413 -3.647) 4.578 21.780 ( 0.841 0.939 2.734) 3.010 21.798 ( 0.705 -0.795 3.380) 3.543 21.843 ( 1.199 1.189 -2.618) 3.115 21.866 ( 0.679 -1.241 -1.787) 2.278 21.996 ( -1.437 2.938 6.087) 6.910 22.071 ( -4.197 -4.934 7.890) 10.208 22.137 ( -2.794 3.303 -5.652) 7.118 22.207 ( -3.800 -3.893 -4.708) 7.194 22.357 ( -0.417 1.825 3.236) 3.739 22.400 ( 1.330 -2.648 3.471) 4.563 22.441 ( -2.310 1.805 -4.503) 5.374 22.484 ( -0.431 -2.630 -4.263) 5.027 22.723 ( -7.895 3.135 1.647) 8.653 22.743 ( -9.307 3.112 0.294) 9.818 22.782 ( -6.465 -2.301 1.209) 6.968 22.807 ( -8.024 -2.893 -0.766) 8.564 23.199 ( 8.180 2.096 1.876) 8.650 23.232 ( 9.773 -0.435 2.324) 10.055 23.242 ( 10.382 2.521 -0.857) 10.718 23.308 ( 12.408 -3.496 -3.063) 13.250 23.493 ( 2.101 1.146 6.240) 6.683 23.517 ( 2.912 -1.268 6.622) 7.344 23.643 ( 0.279 2.241 -7.414) 7.750 23.689 ( 0.835 -2.394 -8.606) 8.971 25.085 ( 4.100 1.190 3.933) 5.804 25.107 ( 5.027 -1.072 2.977) 5.940 25.167 ( 4.466 0.772 -3.343) 5.631 25.179 ( 4.757 -0.341 -3.663) 6.014 25.578 ( -1.762 3.152 6.949) 7.831 25.646 ( -3.474 -3.549 7.402) 8.914 25.726 ( -2.154 3.397 -6.025) 7.244 25.801 ( -4.116 -3.960 -6.317) 8.516 26.869 ( 2.025 2.900 5.557) 6.587 26.949 ( 1.184 -5.408 6.607) 8.620 26.975 ( 2.209 3.483 -3.585) 5.465 27.068 ( 1.133 -5.482 -3.718) 6.720 27.202 ( -2.849 0.559 6.178) 6.827 27.226 ( -3.307 -2.348 5.823) 7.096 27.320 ( -2.848 1.935 -4.550) 5.706 27.362 ( -3.839 -2.275 -6.005) 7.482 28.515 ( 3.285 7.196 3.705) 8.735 28.592 ( 1.453 5.808 -2.313) 6.418 28.648 ( 3.468 -4.841 2.240) 6.362 28.714 ( 1.598 -5.052 -2.833) 6.009 29.067 ( -0.763 14.717 2.607) 14.966 29.185 ( -2.350 12.368 -8.468) 15.172 29.341 ( -3.190 -13.279 0.246) 13.659 29.400 ( -4.600 -9.988 -5.219) 12.172 30.818 ( 1.622 2.117 1.572) 3.096 30.853 ( 1.753 2.294 -1.493) 3.251 30.859 ( 1.820 -2.015 1.724) 3.216 30.899 ( 1.962 -2.298 -1.784) 3.509 31.061 ( -2.327 4.794 3.734) 6.507 31.121 ( -2.535 5.392 -1.927) 6.262 31.172 ( -3.946 -6.800 4.255) 8.940 31.233 ( -3.547 -6.197 -1.728) 7.347 39.637 ( 0.846 1.905 0.517) 2.148 39.648 ( 0.834 1.877 -0.496) 2.113 39.675 ( 0.619 -1.918 0.411) 2.057 39.684 ( 0.502 -1.700 -0.450) 1.829 39.780 ( -0.850 1.073 1.901) 2.342 39.800 ( -1.150 -0.749 1.539) 2.062 39.827 ( -1.470 0.759 -2.158) 2.719 39.841 ( -1.477 -0.571 -1.931) 2.497 70.257 ( 19.091 7.164 4.076) 20.794 70.318 ( 20.156 5.397 1.283) 20.906 70.448 ( 22.502 -2.706 -3.041) 22.867 70.553 ( 29.617 -9.314 -10.467) 32.764 72.130 ( -12.907 5.412 8.266) 16.254 72.238 ( -11.695 -4.596 11.172) 16.814 72.328 ( -11.561 8.797 -8.293) 16.728 72.524 ( -9.541 -10.538 -13.471) 19.584 105.134 ( 0.625 0.448 1.114) 1.353 105.142 ( 0.876 -0.384 1.148) 1.494 105.156 ( 0.520 0.504 -0.767) 1.055 105.166 ( 0.599 -0.533 -0.903) 1.208 105.227 ( -0.604 0.928 1.269) 1.684 105.246 ( -0.641 -0.922 0.814) 1.387 105.260 ( -0.969 0.566 -1.592) 1.948 105.270 ( -0.866 -0.468 -1.263) 1.601 ======================= Grid point 86 (35/36) ======================= q-point: ( 0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 4.082 12.368 15.244) 20.050 2.243 ( -1.450 -2.084 9.482) 9.816 2.295 ( -2.297 5.172 -0.524) 5.683 2.325 ( -1.882 0.015 8.163) 8.377 2.598 ( -6.464 5.543 4.011) 9.412 2.616 ( -5.520 2.254 2.617) 6.512 2.706 ( -1.313 -0.869 0.905) 1.816 2.718 ( -5.191 -0.706 1.874) 5.564 2.762 ( -2.692 1.114 -2.649) 3.937 2.909 ( 2.545 -9.837 5.423) 11.518 2.945 ( 2.787 6.898 -3.567) 8.250 3.106 ( -1.681 -6.688 -3.064) 7.546 3.191 ( -0.973 1.360 1.626) 2.333 3.266 ( -5.461 -5.325 4.033) 8.628 3.347 ( -3.699 2.127 -4.236) 6.012 3.362 ( -1.530 1.446 -6.667) 6.992 3.633 ( 2.999 4.061 2.314) 5.553 3.675 ( 3.642 2.004 -0.608) 4.201 3.691 ( 4.898 -3.817 3.784) 7.272 3.784 ( 3.957 -6.419 -4.092) 8.579 3.899 ( -0.955 4.997 1.142) 5.214 3.967 ( -1.737 2.396 2.218) 3.699 3.968 ( -0.777 5.932 -1.166) 6.095 4.079 ( -2.364 -0.101 -6.313) 6.741 4.177 ( -2.177 10.533 2.666) 11.081 4.298 ( 5.040 7.811 0.663) 9.319 4.357 ( 2.081 0.734 -0.198) 2.215 4.468 ( -4.341 5.188 -4.789) 8.288 4.498 ( 4.921 -0.389 2.355) 5.469 4.592 ( 6.787 5.781 -7.777) 11.830 4.643 ( 5.660 -6.872 4.671) 10.054 4.774 ( -0.333 -8.512 -5.214) 9.988 4.848 ( 6.417 7.763 2.935) 10.490 4.889 ( -4.777 3.824 -1.104) 6.218 5.003 ( 4.933 -1.309 1.635) 5.359 5.053 ( 2.062 6.936 3.593) 8.079 5.090 ( 7.139 -5.500 0.581) 9.030 5.142 ( 5.329 3.726 4.393) 7.847 5.155 ( 7.070 -3.540 5.861) 9.842 5.199 ( 5.566 -4.100 -5.094) 8.587 5.227 ( 4.996 -4.149 -0.273) 6.500 5.306 ( 3.263 -6.719 -0.892) 7.523 5.372 ( 1.190 1.356 -11.007) 11.154 5.402 ( -3.272 1.056 -7.174) 7.955 5.562 ( -2.725 -0.412 -0.036) 2.756 5.577 ( -4.032 4.457 -0.472) 6.029 5.600 ( -1.685 -3.113 2.590) 4.386 5.702 ( -1.496 -2.988 -2.904) 4.427 5.738 ( -6.389 -2.379 -0.071) 6.818 5.762 ( -2.732 -1.794 1.250) 3.500 5.796 ( -2.218 -6.132 3.255) 7.288 5.831 ( -4.690 -7.185 1.082) 8.648 6.026 ( -3.774 -0.076 2.390) 4.468 6.099 ( -5.405 -0.332 -3.921) 6.686 6.108 ( -4.710 -7.804 -4.188) 10.031 6.207 ( -5.222 -9.854 -8.029) 13.742 6.511 ( -0.595 5.058 1.672) 5.360 6.539 ( -3.697 5.834 4.081) 8.023 6.557 ( -0.027 9.340 -1.852) 9.522 6.637 ( -5.600 2.155 -3.041) 6.727 6.783 ( 3.503 4.609 4.307) 7.215 6.831 ( 6.933 3.695 -0.262) 7.860 6.936 ( 0.212 -1.550 0.193) 1.576 6.962 ( 6.402 -5.485 0.468) 8.444 7.088 ( 2.853 -0.197 2.138) 3.571 7.103 ( -3.989 2.121 -1.999) 4.940 7.167 ( -0.323 -1.663 -0.150) 1.701 7.181 ( 3.367 -1.787 -1.992) 4.301 7.337 ( 3.093 0.857 3.222) 4.547 7.363 ( 4.180 -2.221 1.716) 5.034 7.387 ( 3.398 2.747 -2.055) 4.828 7.448 ( 2.425 -3.276 -4.149) 5.816 7.532 ( -2.899 4.717 2.875) 6.239 7.582 ( -2.700 0.774 1.323) 3.104 7.631 ( -2.585 -1.103 -1.345) 3.116 7.665 ( -7.644 3.905 4.812) 9.841 7.682 ( -0.883 -3.880 -3.543) 5.328 7.762 ( -6.536 4.145 -2.803) 8.231 7.793 ( -10.334 -4.563 2.903) 11.664 7.893 ( -7.948 -5.330 -4.879) 10.742 8.251 ( 2.308 2.808 2.507) 4.416 8.295 ( 4.074 0.957 1.679) 4.509 8.351 ( 1.054 0.047 -3.781) 3.925 8.368 ( -1.870 -0.302 -3.068) 3.605 8.500 ( 2.278 -0.193 2.693) 3.532 8.523 ( -0.486 -2.991 5.496) 6.276 8.569 ( -1.876 2.938 -3.249) 4.765 8.650 ( -4.120 -4.519 -4.331) 7.494 8.826 ( 4.866 1.660 3.058) 5.982 8.856 ( 4.789 -1.387 2.735) 5.687 8.889 ( 3.318 1.191 -2.390) 4.259 8.902 ( 2.764 0.081 -0.669) 2.845 9.216 ( 1.090 0.026 1.977) 2.257 9.227 ( -0.072 0.603 1.641) 1.749 9.261 ( -1.090 -1.822 0.487) 2.178 9.287 ( -0.806 -2.738 -1.525) 3.236 9.571 ( 0.008 2.152 1.419) 2.578 9.597 ( 0.388 -0.189 1.491) 1.553 9.625 ( -0.223 0.488 0.344) 0.638 9.635 ( 0.748 -0.852 -2.256) 2.525 9.788 ( 0.522 2.747 2.492) 3.745 9.831 ( 0.012 3.820 -1.239) 4.016 9.840 ( -2.287 -1.938 6.083) 6.781 9.916 ( -1.382 -4.083 -0.276) 4.319 9.972 ( 2.821 4.240 3.814) 6.363 10.043 ( 4.542 0.757 0.381) 4.621 10.070 ( 4.305 -0.583 -0.408) 4.364 10.138 ( 0.834 -3.134 -1.931) 3.775 10.316 ( -1.321 -0.010 4.098) 4.305 10.330 ( 0.250 -1.006 0.384) 1.106 10.401 ( -3.330 3.285 -4.556) 6.530 10.452 ( -2.921 -1.632 -6.004) 6.873 10.832 ( 3.167 5.351 1.356) 6.364 10.866 ( 0.169 7.110 -1.207) 7.213 10.879 ( 3.133 1.322 2.367) 4.143 10.924 ( -0.009 1.488 0.498) 1.569 10.939 ( 0.973 0.482 -2.428) 2.659 10.999 ( -0.662 1.598 -3.089) 3.540 11.026 ( -2.812 -6.543 0.433) 7.135 11.094 ( -2.336 -6.702 -4.332) 8.315 11.665 ( 1.634 3.074 7.034) 7.848 11.685 ( 2.801 0.929 3.881) 4.876 11.711 ( 0.810 1.388 3.051) 3.448 11.760 ( -0.113 -0.852 -0.402) 0.949 11.843 ( 4.359 2.423 2.654) 5.649 11.914 ( 4.396 -2.093 -0.212) 4.873 11.954 ( 3.564 1.000 -4.393) 5.745 12.009 ( -1.469 -2.832 -3.814) 4.973 12.104 ( -4.151 2.104 1.836) 5.003 12.149 ( -2.580 2.345 -1.047) 3.640 12.206 ( -8.793 -2.905 0.682) 9.286 12.241 ( -7.096 -5.659 0.387) 9.085 12.336 ( 2.563 -1.656 -1.507) 3.404 12.372 ( -3.268 1.021 0.700) 3.495 12.390 ( -4.126 0.137 -1.604) 4.429 12.514 ( -5.261 -6.967 -7.148) 11.283 13.733 ( 1.974 2.020 5.062) 5.797 13.749 ( 2.677 1.354 3.460) 4.580 13.845 ( 0.329 0.074 -0.742) 0.815 13.885 ( 0.010 -3.057 -4.003) 5.037 13.922 ( -2.442 0.977 1.644) 3.102 13.937 ( -3.254 1.100 0.380) 3.456 14.004 ( -2.294 -3.268 -1.923) 4.432 14.017 ( -2.615 -3.870 -2.295) 5.204 14.591 ( 9.537 3.128 3.540) 10.643 14.637 ( 10.053 -0.689 2.440) 10.367 14.651 ( 8.985 1.568 -0.001) 9.121 14.684 ( 7.875 -1.049 -0.196) 7.947 14.817 ( 2.106 2.757 2.264) 4.143 14.833 ( 0.945 2.260 1.074) 2.674 14.873 ( 1.546 1.377 -1.213) 2.399 14.883 ( 2.529 0.070 -1.433) 2.908 14.970 ( 2.462 -2.578 3.883) 5.271 15.000 ( 2.700 -3.067 1.698) 4.425 15.064 ( 1.770 -0.325 -3.837) 4.238 15.082 ( 1.710 -1.768 -3.918) 4.627 15.542 ( -3.170 2.591 5.142) 6.573 15.554 ( -1.708 1.502 1.472) 2.709 15.606 ( -4.822 4.851 -2.133) 7.165 15.661 ( -4.662 -0.994 -4.672) 6.675 21.803 ( 1.561 0.707 3.718) 4.094 21.817 ( 1.374 -0.686 4.093) 4.371 21.859 ( -0.128 0.271 1.278) 1.313 21.872 ( -0.271 -0.835 0.534) 1.027 21.985 ( 0.596 1.052 1.226) 1.722 22.006 ( -1.504 -1.040 3.168) 3.658 22.075 ( -3.603 2.403 -5.063) 6.663 22.121 ( -4.975 -2.372 -5.317) 7.658 22.364 ( 1.305 2.683 1.999) 3.591 22.412 ( -0.292 1.405 -1.338) 1.962 22.424 ( 0.753 -1.942 0.550) 2.155 22.463 ( -2.163 -2.079 -1.874) 3.538 22.604 ( -4.030 1.992 0.668) 4.545 22.610 ( -4.595 2.357 0.356) 5.176 22.666 ( -5.717 -3.297 0.208) 6.603 22.675 ( -6.003 -3.367 -0.425) 6.896 23.347 ( 7.245 3.080 3.539) 8.631 23.396 ( 7.305 -1.634 4.733) 8.856 23.420 ( 8.051 3.970 -2.361) 9.282 23.472 ( 3.507 -1.116 1.742) 4.072 23.549 ( 3.670 -0.630 1.487) 4.010 23.567 ( 3.062 -1.774 0.804) 3.628 23.638 ( -1.040 2.307 -5.883) 6.404 23.696 ( -0.477 -3.158 -7.250) 7.922 25.187 ( 6.533 1.840 4.142) 7.951 25.218 ( 6.492 -1.285 2.823) 7.194 25.275 ( 6.179 0.597 -3.217) 6.992 25.286 ( 5.439 -0.350 -2.776) 6.116 25.536 ( -2.217 1.579 5.242) 5.906 25.571 ( -3.667 -1.815 4.600) 6.156 25.663 ( -4.660 0.902 -5.444) 7.223 25.694 ( -7.166 -2.039 -5.479) 9.248 26.924 ( 3.885 2.162 5.786) 7.297 26.983 ( 2.557 -4.044 6.833) 8.342 27.030 ( 3.429 2.988 -3.399) 5.678 27.080 ( -1.221 -1.410 0.778) 2.021 27.138 ( -3.522 -0.246 6.474) 7.374 27.169 ( -1.186 -3.829 0.290) 4.018 27.244 ( -5.125 1.441 -3.953) 6.631 27.281 ( -4.483 -2.022 -5.928) 7.702 28.593 ( 4.922 7.591 2.257) 9.324 28.636 ( 3.102 6.875 -1.267) 7.648 28.701 ( 1.575 -1.627 1.551) 2.745 28.730 ( -0.590 -0.527 -0.825) 1.143 29.073 ( 2.149 6.947 0.657) 7.301 29.150 ( -0.634 4.986 -6.454) 8.180 29.261 ( -5.196 -10.518 -1.231) 11.796 29.290 ( -6.798 -8.607 -3.596) 11.542 30.860 ( 2.786 2.345 1.822) 4.072 30.898 ( 2.970 2.607 -1.629) 4.275 30.905 ( 2.935 -2.184 2.037) 4.187 30.941 ( 1.697 -1.227 -0.984) 2.313 31.016 ( -1.460 2.099 2.202) 3.375 31.062 ( -3.607 4.132 -1.733) 5.752 31.086 ( -4.865 -4.586 3.928) 7.755 31.150 ( -5.154 -4.892 -2.082) 7.405 39.659 ( 1.422 1.674 0.502) 2.253 39.669 ( 1.387 1.460 -0.441) 2.061 39.689 ( 0.761 -1.070 0.063) 1.314 39.694 ( 0.361 -0.746 -0.306) 0.884 39.764 ( -0.556 0.387 1.108) 1.299 39.774 ( -1.309 -0.103 0.894) 1.589 39.794 ( -1.877 -0.148 -0.834) 2.059 39.807 ( -2.090 -0.896 -1.184) 2.564 70.716 ( 29.270 8.659 6.608) 31.231 70.822 ( 31.764 5.430 3.715) 32.438 70.961 ( 31.103 -0.532 -2.998) 31.251 71.188 ( 35.432 -16.478 -17.407) 42.778 71.792 ( -23.045 7.190 8.503) 25.594 71.920 ( -22.480 -1.751 9.359) 24.413 72.019 ( -21.645 6.644 -6.487) 23.553 72.258 ( -19.380 -13.954 -15.834) 28.654 105.150 ( 1.077 0.568 1.042) 1.603 105.162 ( 1.130 -0.597 0.968) 1.603 105.169 ( 0.772 0.419 -0.434) 0.980 105.178 ( 0.373 -0.515 -0.120) 0.647 105.216 ( -0.341 0.812 0.396) 0.965 105.230 ( -0.880 -0.599 0.298) 1.105 105.238 ( -1.239 0.525 -1.172) 1.785 105.249 ( -1.321 -0.492 -1.056) 1.762 ======================= Grid point 87 (36/36) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -8.717 5.925 11.531) 15.622 2.187 ( 8.717 5.925 11.531) 15.622 2.262 ( -1.706 -0.859 5.711) 6.022 2.262 ( 1.706 -0.859 5.711) 6.022 2.584 ( -3.959 0.573 -2.498) 4.716 2.584 ( 3.959 0.573 -2.498) 4.716 2.592 ( -4.764 0.962 -1.290) 5.028 2.592 ( 4.764 0.962 -1.290) 5.028 2.892 ( -9.830 6.727 10.155) 15.652 2.892 ( 9.830 6.727 10.155) 15.652 3.036 ( -7.150 -6.320 3.920) 10.317 3.036 ( 7.150 -6.320 3.920) 10.317 3.216 ( -6.709 0.500 -3.602) 7.631 3.216 ( 6.709 0.500 -3.602) 7.631 3.255 ( -5.846 -2.054 -3.202) 6.975 3.255 ( 5.846 -2.054 -3.202) 6.975 3.725 ( -3.602 3.278 2.903) 5.670 3.725 ( 3.602 3.278 2.903) 5.670 3.796 ( -4.810 -3.544 -3.610) 6.980 3.796 ( 4.810 -3.544 -3.610) 6.980 3.919 ( -2.945 5.921 -0.089) 6.613 3.919 ( 2.945 5.921 -0.089) 6.613 4.005 ( -5.622 -2.787 -7.800) 10.011 4.005 ( 5.622 -2.787 -7.800) 10.011 4.253 ( -9.653 10.082 3.575) 14.409 4.253 ( 9.654 10.082 3.575) 14.409 4.364 ( -1.404 1.550 -3.832) 4.366 4.364 ( 1.404 1.550 -3.832) 4.366 4.624 ( -5.109 0.661 -0.114) 5.153 4.624 ( 5.109 0.661 -0.114) 5.153 4.685 ( -3.880 -2.791 -4.953) 6.883 4.685 ( 3.880 -2.791 -4.953) 6.883 4.967 ( -9.072 5.935 4.269) 11.651 4.967 ( 9.072 5.935 4.269) 11.651 5.030 ( -2.468 2.314 3.562) 4.912 5.030 ( 2.468 2.314 3.562) 4.912 5.194 ( -6.776 4.491 0.361) 8.137 5.194 ( 6.776 4.491 0.361) 8.137 5.256 ( -2.154 1.289 -1.421) 2.884 5.256 ( 2.154 1.289 -1.421) 2.884 5.338 ( -5.150 -1.659 1.774) 5.694 5.338 ( 5.150 -1.659 1.774) 5.694 5.430 ( -7.177 -7.676 -1.661) 10.639 5.430 ( 7.177 -7.676 -1.661) 10.639 5.506 ( -1.909 -2.286 -2.121) 3.656 5.506 ( 1.909 -2.286 -2.121) 3.656 5.553 ( -12.111 -8.206 -11.004) 18.306 5.553 ( 12.111 -8.206 -11.004) 18.306 5.721 ( -2.560 0.508 5.360) 5.962 5.721 ( 2.560 0.508 5.360) 5.962 5.790 ( -0.747 -6.090 1.926) 6.431 5.790 ( 0.747 -6.090 1.926) 6.431 5.999 ( -2.443 -0.166 0.584) 2.518 5.999 ( 2.443 -0.166 0.584) 2.518 6.104 ( -3.777 -9.820 -6.427) 12.329 6.104 ( 3.777 -9.820 -6.427) 12.329 6.489 ( -0.663 8.874 4.092) 9.795 6.489 ( 0.663 8.874 4.092) 9.795 6.565 ( -1.689 3.744 -2.047) 4.589 6.565 ( 1.689 3.744 -2.047) 4.589 6.864 ( -4.818 2.872 3.957) 6.865 6.864 ( 4.818 2.872 3.957) 6.865 6.966 ( -6.054 -3.335 -2.899) 7.495 6.966 ( 6.054 -3.335 -2.899) 7.495 7.145 ( -6.578 2.183 2.355) 7.320 7.145 ( 6.578 2.183 2.355) 7.320 7.171 ( -2.239 2.335 -0.357) 3.254 7.171 ( 2.239 2.335 -0.357) 3.254 7.405 ( -3.423 1.841 2.643) 4.701 7.405 ( 3.423 1.841 2.643) 4.701 7.435 ( -3.188 -1.780 -0.189) 3.656 7.435 ( 3.188 -1.780 -0.189) 3.656 7.537 ( -3.266 2.652 2.126) 4.714 7.537 ( 3.266 2.652 2.126) 4.714 7.600 ( -3.059 0.604 -1.214) 3.346 7.600 ( 3.059 0.604 -1.214) 3.346 7.661 ( -1.496 -2.156 -0.678) 2.711 7.661 ( 1.496 -2.156 -0.678) 2.711 7.744 ( -6.549 -5.999 -6.033) 10.737 7.744 ( 6.549 -5.999 -6.033) 10.737 8.307 ( -3.227 3.010 0.562) 4.449 8.307 ( 3.227 3.010 0.562) 4.449 8.354 ( -1.185 -0.747 -2.626) 2.976 8.354 ( 1.185 -0.747 -2.626) 2.976 8.528 ( -1.883 0.103 1.146) 2.207 8.528 ( 1.883 0.103 1.146) 2.207 8.569 ( -4.112 -3.205 -1.847) 5.531 8.569 ( 4.112 -3.205 -1.847) 5.531 8.905 ( -2.556 1.432 2.256) 3.697 8.905 ( 2.556 1.432 2.256) 3.697 8.919 ( -1.062 -0.206 0.990) 1.466 8.919 ( 1.062 -0.206 0.990) 1.466 9.238 ( -1.235 -0.834 0.590) 1.603 9.238 ( 1.235 -0.834 0.590) 1.603 9.254 ( -2.450 -2.669 -1.427) 3.894 9.254 ( 2.450 -2.669 -1.427) 3.894 9.596 ( -2.330 2.371 3.028) 4.496 9.596 ( 2.330 2.371 3.028) 4.496 9.627 ( -1.942 -0.952 1.304) 2.526 9.627 ( 1.942 -0.952 1.304) 2.526 9.805 ( -1.015 2.227 1.473) 2.857 9.805 ( 1.015 2.227 1.473) 2.857 9.841 ( -3.956 -1.470 -0.298) 4.231 9.841 ( 3.956 -1.470 -0.298) 4.231 10.070 ( -4.649 3.445 4.416) 7.279 10.070 ( 4.649 3.445 4.416) 7.279 10.132 ( -0.686 -2.185 0.575) 2.361 10.132 ( 0.686 -2.185 0.575) 2.361 10.323 ( -2.922 2.199 -2.291) 4.315 10.323 ( 2.922 2.199 -2.291) 4.315 10.380 ( -3.967 -3.064 -5.685) 7.579 10.380 ( 3.967 -3.064 -5.685) 7.579 10.864 ( -0.711 6.804 2.222) 7.193 10.864 ( 0.711 6.804 2.222) 7.193 10.917 ( -1.873 4.870 -2.073) 5.614 10.917 ( 1.873 4.870 -2.073) 5.614 10.978 ( -1.888 -4.062 1.096) 4.612 10.978 ( 1.888 -4.062 1.096) 4.612 11.028 ( -4.035 -5.288 -2.908) 7.260 11.028 ( 4.035 -5.288 -2.908) 7.260 11.697 ( -1.424 3.073 5.629) 6.570 11.697 ( 1.424 3.073 5.629) 6.570 11.743 ( -1.989 -0.856 2.127) 3.035 11.743 ( 1.989 -0.856 2.127) 3.035 11.938 ( -4.918 0.493 1.686) 5.222 11.938 ( 4.918 0.493 1.686) 5.222 11.986 ( -2.092 -3.838 -0.909) 4.465 11.986 ( 2.092 -3.838 -0.909) 4.465 12.070 ( -3.676 5.479 0.730) 6.638 12.070 ( 3.676 5.479 0.730) 6.638 12.156 ( -2.344 -2.360 -5.720) 6.617 12.156 ( 2.344 -2.360 -5.720) 6.617 12.341 ( -0.780 -0.187 1.570) 1.763 12.341 ( 0.780 -0.187 1.570) 1.763 12.416 ( -4.924 -6.258 -5.224) 9.523 12.416 ( 4.924 -6.258 -5.224) 9.523 13.780 ( -1.757 3.354 4.465) 5.855 13.780 ( 1.757 3.354 4.465) 5.855 13.848 ( -2.529 -1.966 1.288) 3.453 13.848 ( 2.529 -1.966 1.288) 3.453 13.911 ( -0.519 0.603 -1.167) 1.412 13.911 ( 0.519 0.603 -1.167) 1.412 13.976 ( -0.640 -4.387 -3.836) 5.863 13.976 ( 0.640 -4.387 -3.836) 5.863 14.709 ( -3.142 3.455 2.949) 5.523 14.709 ( 3.142 3.455 2.949) 5.523 14.744 ( -0.354 1.256 0.586) 1.431 14.744 ( 0.354 1.256 0.586) 1.431 14.854 ( -2.474 -0.513 0.650) 2.609 14.854 ( 2.474 -0.513 0.650) 2.609 14.900 ( -2.459 -3.889 -2.563) 5.267 14.900 ( 2.459 -3.889 -2.563) 5.267 15.041 ( -2.344 1.545 3.245) 4.290 15.041 ( 2.344 1.545 3.245) 4.290 15.058 ( -0.815 -0.209 1.635) 1.839 15.058 ( 0.815 -0.209 1.635) 1.839 15.530 ( -2.358 4.087 -0.180) 4.722 15.530 ( 2.358 4.087 -0.180) 4.722 15.576 ( -3.764 -0.725 -4.107) 5.618 15.576 ( 3.764 -0.725 -4.107) 5.618 21.834 ( -1.385 0.616 4.475) 4.725 21.834 ( 1.385 0.616 4.475) 4.725 21.851 ( -1.438 -1.249 3.838) 4.285 21.851 ( 1.438 -1.249 3.838) 4.285 22.012 ( -2.385 1.902 -2.604) 4.010 22.012 ( 2.385 1.902 -2.604) 4.010 22.040 ( -3.364 -1.073 -4.280) 5.549 22.040 ( 3.364 -1.073 -4.280) 5.549 22.406 ( -3.174 1.663 0.689) 3.649 22.406 ( 3.174 1.663 0.689) 3.649 22.421 ( -0.997 0.361 -0.626) 1.231 22.421 ( 0.997 0.361 -0.626) 1.231 22.586 ( -2.207 -1.360 0.405) 2.624 22.586 ( 2.207 -1.360 0.405) 2.624 22.597 ( -2.190 -2.240 -0.529) 3.177 22.597 ( 2.190 -2.240 -0.529) 3.177 23.447 ( -3.008 3.171 4.302) 6.133 23.447 ( 3.008 3.171 4.302) 6.133 23.497 ( -0.843 -1.420 3.124) 3.533 23.497 ( 0.843 -1.420 3.124) 3.533 23.587 ( -2.572 2.998 -2.771) 4.825 23.587 ( 2.572 2.998 -2.771) 4.825 23.660 ( -3.427 -4.032 -6.181) 8.137 23.660 ( 3.427 -4.032 -6.181) 8.137 25.298 ( -3.651 1.634 3.207) 5.127 25.298 ( 3.651 1.634 3.207) 5.127 25.320 ( -2.290 -0.626 1.279) 2.697 25.320 ( 2.290 -0.626 1.279) 2.697 25.560 ( -5.634 -0.003 -1.912) 5.950 25.560 ( 5.634 -0.003 -1.912) 5.950 25.572 ( -4.064 -1.265 -3.053) 5.238 25.572 ( 4.064 -1.265 -3.053) 5.238 27.005 ( -4.328 1.353 5.753) 7.326 27.005 ( 4.328 1.353 5.753) 7.326 27.043 ( -2.649 -2.437 5.455) 6.535 27.043 ( 2.649 -2.437 5.455) 6.535 27.142 ( -4.454 2.711 -2.499) 5.782 27.142 ( 4.454 2.711 -2.499) 5.782 27.206 ( -3.304 -3.730 -5.158) 7.172 27.206 ( 3.304 -3.730 -5.158) 7.172 28.679 ( -3.149 5.787 1.205) 6.697 28.679 ( 3.149 5.787 1.205) 6.697 28.695 ( -1.562 4.612 -0.131) 4.871 28.695 ( 1.562 4.612 -0.131) 4.871 29.151 ( -5.356 -2.567 -1.072) 6.035 29.151 ( 5.356 -2.567 -1.072) 6.035 29.185 ( -3.440 -5.680 -4.162) 7.837 29.185 ( 3.440 -5.680 -4.162) 7.837 30.916 ( -3.070 2.495 2.031) 4.447 30.916 ( 3.070 2.495 2.031) 4.447 30.944 ( -0.539 0.712 -0.090) 0.898 30.944 ( 0.539 0.712 -0.090) 0.898 31.019 ( -0.950 -0.526 1.353) 1.735 31.019 ( 0.950 -0.526 1.353) 1.735 31.057 ( -4.546 -3.347 -1.746) 5.909 31.057 ( 4.546 -3.347 -1.746) 5.909 39.685 ( -1.181 1.101 0.363) 1.655 39.685 ( 1.181 1.101 0.363) 1.655 39.693 ( -0.814 0.418 -0.374) 0.989 39.693 ( 0.814 0.418 -0.374) 0.989 39.766 ( -0.813 -0.421 0.255) 0.950 39.766 ( 0.813 -0.421 0.255) 0.950 39.772 ( -1.388 -0.858 -0.263) 1.652 39.772 ( 1.388 -0.858 -0.263) 1.652 71.273 ( -29.288 8.410 7.917) 31.483 71.273 ( 29.288 8.410 7.917) 31.483 71.389 ( -21.164 2.239 4.486) 21.750 71.389 ( 21.164 2.239 4.486) 21.750 71.566 ( -19.962 3.153 -2.226) 20.331 71.566 ( 19.962 3.153 -2.226) 20.331 71.813 ( -28.417 -16.793 -17.866) 37.533 71.813 ( 28.417 -16.793 -17.866) 37.533 105.170 ( -0.968 0.366 0.931) 1.392 105.170 ( 0.968 0.366 0.931) 1.392 105.177 ( -0.217 -0.259 0.474) 0.582 105.177 ( 0.217 -0.259 0.474) 0.582 105.221 ( -0.352 0.168 -0.594) 0.711 105.221 ( 0.352 0.168 -0.594) 0.711 105.225 ( -0.987 -0.222 -0.830) 1.309 105.225 ( 0.987 -0.222 -0.830) 1.309 =================== 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 3/36000 10.0 800.382 605.645 457.681 0.000 0.000 -0.000 3/36000 20.0 72.523 101.676 90.611 0.000 0.000 -0.000 3/36000 30.0 23.262 38.081 34.343 0.000 0.000 -0.000 3/36000 40.0 11.965 19.411 17.698 0.000 0.000 -0.000 3/36000 50.0 7.733 12.053 11.083 0.000 0.000 -0.000 3/36000 60.0 5.650 8.460 7.827 0.000 0.000 -0.000 3/36000 70.0 4.439 6.428 5.972 0.000 0.000 -0.000 3/36000 80.0 3.654 5.154 4.802 0.000 0.000 -0.000 3/36000 90.0 3.107 4.293 4.006 0.000 0.000 -0.000 3/36000 100.0 2.705 3.678 3.435 0.000 0.000 -0.000 3/36000 110.0 2.397 3.219 3.007 0.000 0.000 -0.000 3/36000 120.0 2.155 2.864 2.676 0.000 0.000 -0.000 3/36000 130.0 1.960 2.582 2.412 0.000 0.000 -0.000 3/36000 140.0 1.799 2.353 2.196 0.000 0.000 -0.000 3/36000 150.0 1.664 2.162 2.018 0.000 0.000 -0.000 3/36000 160.0 1.549 2.002 1.867 0.000 0.000 -0.000 3/36000 170.0 1.450 1.865 1.738 0.000 0.000 -0.000 3/36000 180.0 1.364 1.746 1.627 0.000 0.000 -0.000 3/36000 190.0 1.289 1.643 1.529 0.000 0.000 -0.000 3/36000 200.0 1.222 1.552 1.444 0.000 0.000 -0.000 3/36000 210.0 1.162 1.470 1.367 0.000 0.000 -0.000 3/36000 220.0 1.109 1.398 1.299 0.000 0.000 -0.000 3/36000 230.0 1.060 1.332 1.238 0.000 0.000 -0.000 3/36000 240.0 1.016 1.273 1.182 0.000 0.000 -0.000 3/36000 250.0 0.976 1.219 1.132 0.000 0.000 -0.000 3/36000 260.0 0.939 1.170 1.086 0.000 0.000 -0.000 3/36000 270.0 0.905 1.125 1.043 0.000 0.000 -0.000 3/36000 280.0 0.873 1.084 1.004 0.000 0.000 -0.000 3/36000 290.0 0.844 1.045 0.968 0.000 0.000 -0.000 3/36000 300.0 0.817 1.010 0.935 0.000 0.000 -0.000 3/36000 310.0 0.792 0.977 0.904 0.000 0.000 -0.000 3/36000 320.0 0.768 0.946 0.875 0.000 0.000 -0.000 3/36000 330.0 0.746 0.917 0.848 0.000 0.000 -0.000 3/36000 340.0 0.725 0.890 0.822 0.000 0.000 -0.000 3/36000 350.0 0.706 0.864 0.798 0.000 0.000 -0.000 3/36000 360.0 0.687 0.840 0.776 0.000 0.000 -0.000 3/36000 370.0 0.670 0.818 0.755 0.000 0.000 -0.000 3/36000 380.0 0.653 0.796 0.735 0.000 0.000 -0.000 3/36000 390.0 0.637 0.776 0.716 0.000 0.000 -0.000 3/36000 400.0 0.623 0.757 0.698 0.000 0.000 -0.000 3/36000 410.0 0.608 0.739 0.681 0.000 0.000 -0.000 3/36000 420.0 0.595 0.721 0.665 0.000 0.000 -0.000 3/36000 430.0 0.582 0.705 0.649 0.000 0.000 -0.000 3/36000 440.0 0.570 0.689 0.635 0.000 0.000 -0.000 3/36000 450.0 0.558 0.674 0.621 0.000 0.000 -0.000 3/36000 460.0 0.546 0.660 0.607 0.000 0.000 -0.000 3/36000 470.0 0.536 0.646 0.594 0.000 0.000 -0.000 3/36000 480.0 0.525 0.633 0.582 0.000 0.000 -0.000 3/36000 490.0 0.515 0.620 0.570 0.000 0.000 -0.000 3/36000 500.0 0.506 0.608 0.559 0.000 0.000 -0.000 3/36000 510.0 0.497 0.597 0.548 0.000 0.000 -0.000 3/36000 520.0 0.488 0.586 0.538 0.000 0.000 -0.000 3/36000 530.0 0.479 0.575 0.528 0.000 0.000 -0.000 3/36000 540.0 0.471 0.564 0.518 0.000 0.000 -0.000 3/36000 550.0 0.463 0.554 0.509 0.000 0.000 -0.000 3/36000 560.0 0.456 0.545 0.500 0.000 0.000 -0.000 3/36000 570.0 0.448 0.536 0.491 0.000 0.000 -0.000 3/36000 580.0 0.441 0.527 0.483 0.000 0.000 -0.000 3/36000 590.0 0.434 0.518 0.475 0.000 0.000 -0.000 3/36000 600.0 0.427 0.509 0.467 0.000 0.000 -0.000 3/36000 610.0 0.421 0.501 0.459 0.000 0.000 -0.000 3/36000 620.0 0.415 0.493 0.452 0.000 0.000 -0.000 3/36000 630.0 0.409 0.486 0.445 0.000 0.000 -0.000 3/36000 640.0 0.403 0.478 0.438 0.000 0.000 -0.000 3/36000 650.0 0.397 0.471 0.431 0.000 0.000 -0.000 3/36000 660.0 0.392 0.464 0.425 0.000 0.000 -0.000 3/36000 670.0 0.386 0.458 0.419 0.000 0.000 -0.000 3/36000 680.0 0.381 0.451 0.413 0.000 0.000 -0.000 3/36000 690.0 0.376 0.445 0.407 0.000 0.000 -0.000 3/36000 700.0 0.371 0.439 0.401 0.000 0.000 -0.000 3/36000 710.0 0.366 0.433 0.395 0.000 0.000 -0.000 3/36000 720.0 0.362 0.427 0.390 0.000 0.000 -0.000 3/36000 730.0 0.357 0.421 0.385 0.000 0.000 -0.000 3/36000 740.0 0.353 0.415 0.380 0.000 0.000 -0.000 3/36000 750.0 0.348 0.410 0.375 0.000 0.000 -0.000 3/36000 760.0 0.344 0.405 0.370 0.000 0.000 -0.000 3/36000 770.0 0.340 0.400 0.365 0.000 0.000 -0.000 3/36000 780.0 0.336 0.395 0.360 0.000 0.000 -0.000 3/36000 790.0 0.332 0.390 0.356 0.000 0.000 -0.000 3/36000 800.0 0.328 0.385 0.352 0.000 0.000 -0.000 3/36000 810.0 0.325 0.380 0.347 0.000 0.000 -0.000 3/36000 820.0 0.321 0.376 0.343 0.000 0.000 -0.000 3/36000 830.0 0.317 0.371 0.339 0.000 0.000 -0.000 3/36000 840.0 0.314 0.367 0.335 0.000 0.000 -0.000 3/36000 850.0 0.311 0.363 0.331 0.000 0.000 -0.000 3/36000 860.0 0.307 0.359 0.327 0.000 0.000 -0.000 3/36000 870.0 0.304 0.355 0.324 0.000 0.000 -0.000 3/36000 880.0 0.301 0.351 0.320 0.000 0.000 -0.000 3/36000 890.0 0.298 0.347 0.316 0.000 0.000 -0.000 3/36000 900.0 0.295 0.343 0.313 0.000 0.000 -0.000 3/36000 910.0 0.292 0.340 0.310 0.000 0.000 -0.000 3/36000 920.0 0.289 0.336 0.306 0.000 0.000 -0.000 3/36000 930.0 0.286 0.332 0.303 0.000 0.000 -0.000 3/36000 940.0 0.283 0.329 0.300 0.000 0.000 -0.000 3/36000 950.0 0.280 0.326 0.297 0.000 0.000 -0.000 3/36000 960.0 0.278 0.322 0.294 0.000 0.000 -0.000 3/36000 970.0 0.275 0.319 0.291 0.000 0.000 -0.000 3/36000 980.0 0.272 0.316 0.288 0.000 0.000 -0.000 3/36000 990.0 0.270 0.313 0.285 0.000 0.000 -0.000 3/36000 1000.0 0.267 0.310 0.282 0.000 0.000 -0.000 3/36000 Thermal conductivity related properties were written into "kappa-m655.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:04:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|