----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:39:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.705167000478199 0.000000000000000 0.000000000000000 b 0.000000000000000 9.941568200000001 0.000000000000000 c -3.973851399314530 0.000000000000000 6.124155980256933 Atomic positions (fractional): *1 K 0.31477772663636 0.48518818192121 0.06933392035830 39.098 *2 K 0.50258360474553 0.32256363098613 0.51727846522306 39.098 3 K 0.68522227336364 0.98518818192121 0.43066607964170 39.098 4 K 0.49741639525447 0.67743636901387 0.48272153477694 39.098 5 K 0.50258360474553 0.17743636901387 0.01727846522306 39.098 6 K 0.31477772663636 0.01481181807879 0.56933392035830 39.098 7 K 0.49741639525447 0.82256363098613 0.98272153477694 39.098 8 K 0.68522227336364 0.51481181807879 0.93066607964170 39.098 *9 Na 0.98597544295279 0.26037699842685 0.20660901054145 22.990 10 Na 0.01402455704721 0.73962300157315 0.79339098945855 22.990 11 Na 0.01402455704721 0.76037699842685 0.29339098945855 22.990 12 Na 0.98597544295279 0.23962300157315 0.70660901054145 22.990 *13 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 14 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 *15 O 0.78094579163639 0.15270998693128 0.84602652006420 15.999 *16 O 0.25358641891667 0.12753150242447 0.20172680443989 15.999 17 O 0.25358641891667 0.37246849757554 0.70172680443989 15.999 *18 O 0.88644034482434 0.99069147017605 0.19905223599632 15.999 19 O 0.88644034482434 0.50930852982395 0.69905223599632 15.999 20 O 0.78094579163639 0.34729001306872 0.34602652006420 15.999 21 O 0.11355965517566 0.00930852982395 0.80094776400368 15.999 22 O 0.74641358108333 0.62753150242446 0.29827319556011 15.999 23 O 0.21905420836361 0.84729001306872 0.15397347993580 15.999 24 O 0.21905420836361 0.65270998693128 0.65397347993580 15.999 25 O 0.11355965517566 0.49069147017605 0.30094776400368 15.999 26 O 0.74641358108333 0.87246849757554 0.79827319556011 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.705167000478199 0.000000000000000 0.000000000000000 b 0.000000000000000 9.941568200000001 0.000000000000000 c -3.973851399314530 0.000000000000000 6.124155980256933 Atomic positions (fractional): *1 K 0.31477772663636 0.48518818192121 0.06933392035830 39.098 > 1 *2 K 0.50258360474553 0.32256363098613 0.51727846522306 39.098 > 2 3 K 0.68522227336364 0.98518818192121 0.43066607964170 39.098 > 3 4 K 0.49741639525447 0.67743636901387 0.48272153477694 39.098 > 4 5 K 0.50258360474553 0.17743636901387 0.01727846522306 39.098 > 5 6 K 0.31477772663636 0.01481181807879 0.56933392035830 39.098 > 6 7 K 0.49741639525447 0.82256363098613 0.98272153477694 39.098 > 7 8 K 0.68522227336364 0.51481181807879 0.93066607964170 39.098 > 8 *9 Na 0.98597544295279 0.26037699842685 0.20660901054145 22.990 > 9 10 Na 0.01402455704721 0.73962300157315 0.79339098945855 22.990 > 10 11 Na 0.01402455704721 0.76037699842685 0.29339098945855 22.990 > 11 12 Na 0.98597544295279 0.23962300157315 0.70660901054145 22.990 > 12 *13 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 13 14 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 14 *15 O 0.78094579163639 0.15270998693128 0.84602652006420 15.999 > 15 *16 O 0.25358641891667 0.12753150242447 0.20172680443989 15.999 > 16 17 O 0.25358641891667 0.37246849757554 0.70172680443989 15.999 > 17 *18 O 0.88644034482434 0.99069147017605 0.19905223599632 15.999 > 18 19 O 0.88644034482434 0.50930852982395 0.69905223599632 15.999 > 19 20 O 0.78094579163639 0.34729001306872 0.34602652006420 15.999 > 20 21 O 0.11355965517566 0.00930852982395 0.80094776400368 15.999 > 21 22 O 0.74641358108333 0.62753150242446 0.29827319556011 15.999 > 22 23 O 0.21905420836361 0.84729001306872 0.15397347993580 15.999 > 23 24 O 0.21905420836361 0.65270998693128 0.65397347993580 15.999 > 24 25 O 0.11355965517566 0.49069147017605 0.30094776400368 15.999 > 25 26 O 0.74641358108333 0.87246849757554 0.79827319556011 15.999 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.410334000956398 0.000000000000000 0.000000000000000 b 0.000000000000000 9.941568200000001 0.000000000000000 c -7.947702798629060 0.000000000000000 12.248311960513867 Atomic positions (fractional): *1 K 0.15738886331818 0.48518818192121 0.03466696017915 39.098 > 1 2 K 0.65738886331818 0.48518818192121 0.03466696017915 39.098 > 1 3 K 0.15738886331818 0.48518818192121 0.53466696017915 39.098 > 1 4 K 0.65738886331818 0.48518818192121 0.53466696017915 39.098 > 1 *5 K 0.25129180237276 0.32256363098613 0.25863923261153 39.098 > 2 6 K 0.75129180237276 0.32256363098613 0.25863923261153 39.098 > 2 7 K 0.25129180237276 0.32256363098613 0.75863923261153 39.098 > 2 8 K 0.75129180237276 0.32256363098613 0.75863923261153 39.098 > 2 9 K 0.34261113668182 0.98518818192121 0.21533303982085 39.098 > 3 10 K 0.84261113668182 0.98518818192121 0.21533303982085 39.098 > 3 11 K 0.34261113668182 0.98518818192121 0.71533303982085 39.098 > 3 12 K 0.84261113668182 0.98518818192121 0.71533303982085 39.098 > 3 13 K 0.24870819762724 0.67743636901387 0.24136076738847 39.098 > 4 14 K 0.74870819762724 0.67743636901387 0.24136076738847 39.098 > 4 15 K 0.24870819762724 0.67743636901387 0.74136076738847 39.098 > 4 16 K 0.74870819762724 0.67743636901387 0.74136076738847 39.098 > 4 17 K 0.25129180237276 0.17743636901387 0.00863923261153 39.098 > 5 18 K 0.75129180237276 0.17743636901387 0.00863923261153 39.098 > 5 19 K 0.25129180237276 0.17743636901387 0.50863923261153 39.098 > 5 20 K 0.75129180237276 0.17743636901387 0.50863923261153 39.098 > 5 21 K 0.15738886331818 0.01481181807879 0.28466696017915 39.098 > 6 22 K 0.65738886331818 0.01481181807879 0.28466696017915 39.098 > 6 23 K 0.15738886331818 0.01481181807879 0.78466696017915 39.098 > 6 24 K 0.65738886331818 0.01481181807879 0.78466696017915 39.098 > 6 25 K 0.24870819762724 0.82256363098613 0.49136076738847 39.098 > 7 26 K 0.74870819762724 0.82256363098613 0.49136076738847 39.098 > 7 27 K 0.24870819762724 0.82256363098613 0.99136076738847 39.098 > 7 28 K 0.74870819762724 0.82256363098613 0.99136076738847 39.098 > 7 29 K 0.34261113668182 0.51481181807879 0.46533303982085 39.098 > 8 30 K 0.84261113668182 0.51481181807879 0.46533303982085 39.098 > 8 31 K 0.34261113668182 0.51481181807879 0.96533303982085 39.098 > 8 32 K 0.84261113668182 0.51481181807879 0.96533303982085 39.098 > 8 *33 Na 0.49298772147639 0.26037699842685 0.10330450527072 22.990 > 9 34 Na 0.99298772147639 0.26037699842685 0.10330450527072 22.990 > 9 35 Na 0.49298772147639 0.26037699842685 0.60330450527072 22.990 > 9 36 Na 0.99298772147639 0.26037699842685 0.60330450527072 22.990 > 9 37 Na 0.00701227852361 0.73962300157315 0.39669549472928 22.990 > 10 38 Na 0.50701227852361 0.73962300157315 0.39669549472928 22.990 > 10 39 Na 0.00701227852361 0.73962300157315 0.89669549472928 22.990 > 10 40 Na 0.50701227852361 0.73962300157315 0.89669549472928 22.990 > 10 41 Na 0.00701227852361 0.76037699842685 0.14669549472928 22.990 > 11 42 Na 0.50701227852361 0.76037699842685 0.14669549472928 22.990 > 11 43 Na 0.00701227852361 0.76037699842685 0.64669549472928 22.990 > 11 44 Na 0.50701227852361 0.76037699842685 0.64669549472928 22.990 > 11 45 Na 0.49298772147639 0.23962300157315 0.35330450527072 22.990 > 12 46 Na 0.99298772147639 0.23962300157315 0.35330450527072 22.990 > 12 47 Na 0.49298772147639 0.23962300157315 0.85330450527072 22.990 > 12 48 Na 0.99298772147639 0.23962300157315 0.85330450527072 22.990 > 12 *49 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 13 50 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 13 51 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 13 52 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 13 53 Te 0.00000000000000 0.50000000000000 0.25000000000000 127.600 > 14 54 Te 0.50000000000000 0.50000000000000 0.25000000000000 127.600 > 14 55 Te 0.00000000000000 0.50000000000000 0.75000000000000 127.600 > 14 56 Te 0.50000000000000 0.50000000000000 0.75000000000000 127.600 > 14 *57 O 0.39047289581820 0.15270998693128 0.42301326003210 15.999 > 15 58 O 0.89047289581820 0.15270998693128 0.42301326003210 15.999 > 15 59 O 0.39047289581820 0.15270998693128 0.92301326003210 15.999 > 15 60 O 0.89047289581820 0.15270998693128 0.92301326003210 15.999 > 15 *61 O 0.12679320945833 0.12753150242447 0.10086340221995 15.999 > 16 62 O 0.62679320945833 0.12753150242447 0.10086340221995 15.999 > 16 63 O 0.12679320945833 0.12753150242447 0.60086340221995 15.999 > 16 64 O 0.62679320945833 0.12753150242447 0.60086340221995 15.999 > 16 65 O 0.12679320945833 0.37246849757554 0.35086340221995 15.999 > 17 66 O 0.62679320945833 0.37246849757554 0.35086340221995 15.999 > 17 67 O 0.12679320945833 0.37246849757554 0.85086340221995 15.999 > 17 68 O 0.62679320945833 0.37246849757554 0.85086340221995 15.999 > 17 *69 O 0.44322017241217 0.99069147017605 0.09952611799816 15.999 > 18 70 O 0.94322017241217 0.99069147017605 0.09952611799816 15.999 > 18 71 O 0.44322017241217 0.99069147017605 0.59952611799816 15.999 > 18 72 O 0.94322017241217 0.99069147017605 0.59952611799816 15.999 > 18 73 O 0.44322017241217 0.50930852982395 0.34952611799816 15.999 > 19 74 O 0.94322017241217 0.50930852982395 0.34952611799816 15.999 > 19 75 O 0.44322017241217 0.50930852982395 0.84952611799816 15.999 > 19 76 O 0.94322017241217 0.50930852982395 0.84952611799816 15.999 > 19 77 O 0.39047289581820 0.34729001306872 0.17301326003210 15.999 > 20 78 O 0.89047289581820 0.34729001306872 0.17301326003210 15.999 > 20 79 O 0.39047289581820 0.34729001306872 0.67301326003210 15.999 > 20 80 O 0.89047289581820 0.34729001306872 0.67301326003210 15.999 > 20 81 O 0.05677982758783 0.00930852982395 0.40047388200184 15.999 > 21 82 O 0.55677982758783 0.00930852982395 0.40047388200184 15.999 > 21 83 O 0.05677982758783 0.00930852982395 0.90047388200184 15.999 > 21 84 O 0.55677982758783 0.00930852982395 0.90047388200184 15.999 > 21 85 O 0.37320679054167 0.62753150242446 0.14913659778005 15.999 > 22 86 O 0.87320679054167 0.62753150242446 0.14913659778005 15.999 > 22 87 O 0.37320679054167 0.62753150242446 0.64913659778005 15.999 > 22 88 O 0.87320679054167 0.62753150242446 0.64913659778005 15.999 > 22 89 O 0.10952710418180 0.84729001306872 0.07698673996790 15.999 > 23 90 O 0.60952710418180 0.84729001306872 0.07698673996790 15.999 > 23 91 O 0.10952710418180 0.84729001306872 0.57698673996790 15.999 > 23 92 O 0.60952710418180 0.84729001306872 0.57698673996790 15.999 > 23 93 O 0.10952710418180 0.65270998693128 0.32698673996790 15.999 > 24 94 O 0.60952710418180 0.65270998693128 0.32698673996790 15.999 > 24 95 O 0.10952710418180 0.65270998693128 0.82698673996790 15.999 > 24 96 O 0.60952710418180 0.65270998693128 0.82698673996790 15.999 > 24 97 O 0.05677982758783 0.49069147017605 0.15047388200184 15.999 > 25 98 O 0.55677982758783 0.49069147017605 0.15047388200184 15.999 > 25 99 O 0.05677982758783 0.49069147017605 0.65047388200184 15.999 > 25 100 O 0.55677982758783 0.49069147017605 0.65047388200184 15.999 > 25 101 O 0.37320679054167 0.87246849757554 0.39913659778005 15.999 > 26 102 O 0.87320679054167 0.87246849757554 0.39913659778005 15.999 > 26 103 O 0.37320679054167 0.87246849757554 0.89913659778005 15.999 > 26 104 O 0.87320679054167 0.87246849757554 0.89913659778005 15.999 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0419918 0.0000000 0.0262939 0.0000000 3.0383420 0.0000000 0.0262944 0.0000000 3.0891087 -------------------------- Born effective charges -------------------------- 1 K 1.2155557 0.0006253 0.0048963 -0.0024831 0.9823014 0.0218541 0.0306758 0.0293894 1.4181651 2 K 1.3004298 -0.0187170 0.0609489 -0.0279557 1.1473778 -0.0304233 0.0199020 0.0018683 1.0540317 3 K 1.2155557 -0.0006253 0.0048963 0.0024831 0.9823014 -0.0218541 0.0306758 -0.0293894 1.4181651 4 K 1.3004298 -0.0187170 0.0609489 -0.0279557 1.1473778 -0.0304233 0.0199020 0.0018683 1.0540317 5 K 1.3004298 0.0187170 0.0609489 0.0279557 1.1473778 0.0304233 0.0199020 -0.0018683 1.0540317 6 K 1.2155557 -0.0006253 0.0048963 0.0024831 0.9823014 -0.0218541 0.0306758 -0.0293894 1.4181651 7 K 1.3004298 0.0187170 0.0609489 0.0279557 1.1473778 0.0304233 0.0199020 -0.0018683 1.0540317 8 K 1.2155557 0.0006253 0.0048963 -0.0024831 0.9823014 0.0218541 0.0306758 0.0293894 1.4181651 9 Na 0.8639263 -0.0891033 -0.0216656 -0.1141087 1.1361465 0.2194914 -0.0323999 0.1938433 0.9539881 10 Na 0.8639263 -0.0891033 -0.0216656 -0.1141087 1.1361465 0.2194914 -0.0323999 0.1938433 0.9539881 11 Na 0.8639263 0.0891033 -0.0216656 0.1141087 1.1361465 -0.2194914 -0.0323999 -0.1938433 0.9539881 12 Na 0.8639263 0.0891033 -0.0216656 0.1141087 1.1361465 -0.2194914 -0.0323999 -0.1938433 0.9539881 13 Te 4.4314208 -0.0634550 0.0775243 -0.0203553 4.3011688 0.0505790 0.0732184 -0.0119626 4.4107265 14 Te 4.4314208 0.0634550 0.0775243 0.0203553 4.3011688 -0.0505790 0.0732184 0.0119626 4.4107265 15 O -1.6707577 0.4042537 -0.2322489 0.3938843 -2.0552869 0.4422801 -0.2397457 0.4097657 -1.7716000 16 O -1.7032012 -0.3352411 -0.2889745 -0.3539131 -1.8708486 -0.4561190 -0.2912014 -0.4198278 -1.9800673 17 O -1.7032012 0.3352411 -0.2889745 0.3539131 -1.8708486 0.4561190 -0.2912014 0.4198278 -1.9800673 18 O -2.2216633 -0.0534733 0.4382817 -0.0634562 -1.4902746 0.0315279 0.4761600 0.0313581 -1.8798808 19 O -2.2216633 0.0534733 0.4382817 0.0634562 -1.4902746 -0.0315279 0.4761600 -0.0313581 -1.8798808 20 O -1.6707577 -0.4042537 -0.2322489 -0.3938843 -2.0552869 -0.4422801 -0.2397457 -0.4097657 -1.7716000 21 O -2.2216633 -0.0534733 0.4382817 -0.0634562 -1.4902746 0.0315279 0.4761600 0.0313581 -1.8798808 22 O -1.7032012 0.3352411 -0.2889745 0.3539131 -1.8708486 0.4561190 -0.2912014 0.4198278 -1.9800673 23 O -1.6707577 0.4042537 -0.2322489 0.3938843 -2.0552869 0.4422801 -0.2397457 0.4097657 -1.7716000 24 O -1.6707577 -0.4042537 -0.2322489 -0.3938843 -2.0552869 -0.4422801 -0.2397457 -0.4097657 -1.7716000 25 O -2.2216633 0.0534733 0.4382817 0.0634562 -1.4902746 -0.0315279 0.4761600 -0.0313581 -1.8798808 26 O -1.7032012 -0.3352411 -0.2889745 -0.3539131 -1.8708486 -0.4561190 -0.2912014 -0.4198278 -1.9800673 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3168 Number of blocks in projector: 3168 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: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 168 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 168 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 678 / 678 (1) 171 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3168, 3106), data: False |-- (378, 371), data: True |-- (378, 371), data: True |-- (378, 371), data: True |-- (678, 665), data: False |-- (678, 7), data: (678, 20) @ (20, 7) |-- (178, 171), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (678, 664), data: False |-- (678, 10), data: (678, 24) @ (24, 10) |-- (178, 168), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (678, 664), data: False |-- (678, 10), data: (678, 24) @ (24, 10) |-- (178, 168), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 800 - Time: 0.861 Solver_block: 200 / 800 - Time: 0.811 Solver_block: 300 / 800 - Time: 0.804 Solver_block: 400 / 800 - Time: 0.843 Solver_block: 500 / 800 - Time: 0.798 Solver_block: 600 / 800 - Time: 0.795 Solver_block: 700 / 800 - Time: 0.805 Solver_block: 800 / 800 - Time: 0.803 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.653 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3168 Number of blocks in projector: 3168 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: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 168 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 168 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 678 / 678 (1) 171 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3168, 3106), data: False |-- (378, 371), data: True |-- (378, 371), data: True |-- (378, 371), data: True |-- (678, 665), data: False |-- (678, 7), data: (678, 20) @ (20, 7) |-- (178, 171), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (678, 664), data: False |-- (678, 10), data: (678, 24) @ (24, 10) |-- (178, 168), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (678, 664), data: False |-- (678, 10), data: (678, 24) @ (24, 10) |-- (178, 168), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), 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 13:39:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:39:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.705167000478199 0.000000000000000 0.000000000000000 b 0.000000000000000 9.941568200000001 0.000000000000000 c -3.973851399314530 0.000000000000000 6.124155980256933 Atomic positions (fractional): 1 K 0.31477772663636 0.48518818192121 0.06933392035830 39.098 2 K 0.50258360474553 0.32256363098613 0.51727846522306 39.098 3 K 0.68522227336364 0.98518818192121 0.43066607964170 39.098 4 K 0.49741639525447 0.67743636901387 0.48272153477694 39.098 5 K 0.50258360474553 0.17743636901387 0.01727846522306 39.098 6 K 0.31477772663636 0.01481181807879 0.56933392035830 39.098 7 K 0.49741639525447 0.82256363098613 0.98272153477694 39.098 8 K 0.68522227336364 0.51481181807879 0.93066607964170 39.098 9 Na 0.98597544295279 0.26037699842685 0.20660901054145 22.990 10 Na 0.01402455704721 0.73962300157315 0.79339098945855 22.990 11 Na 0.01402455704721 0.76037699842685 0.29339098945855 22.990 12 Na 0.98597544295279 0.23962300157315 0.70660901054145 22.990 13 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 14 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 15 O 0.78094579163639 0.15270998693128 0.84602652006420 15.999 16 O 0.25358641891667 0.12753150242447 0.20172680443989 15.999 17 O 0.25358641891667 0.37246849757554 0.70172680443989 15.999 18 O 0.88644034482434 0.99069147017605 0.19905223599632 15.999 19 O 0.88644034482434 0.50930852982395 0.69905223599632 15.999 20 O 0.78094579163639 0.34729001306872 0.34602652006420 15.999 21 O 0.11355965517566 0.00930852982395 0.80094776400368 15.999 22 O 0.74641358108333 0.62753150242446 0.29827319556011 15.999 23 O 0.21905420836361 0.84729001306872 0.15397347993580 15.999 24 O 0.21905420836361 0.65270998693128 0.65397347993580 15.999 25 O 0.11355965517566 0.49069147017605 0.30094776400368 15.999 26 O 0.74641358108333 0.87246849757554 0.79827319556011 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.410334000956398 0.000000000000000 0.000000000000000 b 0.000000000000000 9.941568200000001 0.000000000000000 c -7.947702798629060 0.000000000000000 12.248311960513867 Atomic positions (fractional): 1 K 0.15738886331818 0.48518818192121 0.03466696017915 39.098 > 1 2 K 0.65738886331818 0.48518818192121 0.03466696017915 39.098 > 1 3 K 0.15738886331818 0.48518818192121 0.53466696017915 39.098 > 1 4 K 0.65738886331818 0.48518818192121 0.53466696017915 39.098 > 1 5 K 0.25129180237276 0.32256363098613 0.25863923261153 39.098 > 5 6 K 0.75129180237276 0.32256363098613 0.25863923261153 39.098 > 5 7 K 0.25129180237276 0.32256363098613 0.75863923261153 39.098 > 5 8 K 0.75129180237276 0.32256363098613 0.75863923261153 39.098 > 5 9 K 0.34261113668182 0.98518818192121 0.21533303982085 39.098 > 9 10 K 0.84261113668182 0.98518818192121 0.21533303982085 39.098 > 9 11 K 0.34261113668182 0.98518818192121 0.71533303982085 39.098 > 9 12 K 0.84261113668182 0.98518818192121 0.71533303982085 39.098 > 9 13 K 0.24870819762724 0.67743636901387 0.24136076738847 39.098 > 13 14 K 0.74870819762724 0.67743636901387 0.24136076738847 39.098 > 13 15 K 0.24870819762724 0.67743636901387 0.74136076738847 39.098 > 13 16 K 0.74870819762724 0.67743636901387 0.74136076738847 39.098 > 13 17 K 0.25129180237276 0.17743636901387 0.00863923261153 39.098 > 17 18 K 0.75129180237276 0.17743636901387 0.00863923261153 39.098 > 17 19 K 0.25129180237276 0.17743636901387 0.50863923261153 39.098 > 17 20 K 0.75129180237276 0.17743636901387 0.50863923261153 39.098 > 17 21 K 0.15738886331818 0.01481181807879 0.28466696017915 39.098 > 21 22 K 0.65738886331818 0.01481181807879 0.28466696017915 39.098 > 21 23 K 0.15738886331818 0.01481181807879 0.78466696017915 39.098 > 21 24 K 0.65738886331818 0.01481181807879 0.78466696017915 39.098 > 21 25 K 0.24870819762724 0.82256363098613 0.49136076738847 39.098 > 25 26 K 0.74870819762724 0.82256363098613 0.49136076738847 39.098 > 25 27 K 0.24870819762724 0.82256363098613 0.99136076738847 39.098 > 25 28 K 0.74870819762724 0.82256363098613 0.99136076738847 39.098 > 25 29 K 0.34261113668182 0.51481181807879 0.46533303982085 39.098 > 29 30 K 0.84261113668182 0.51481181807879 0.46533303982085 39.098 > 29 31 K 0.34261113668182 0.51481181807879 0.96533303982085 39.098 > 29 32 K 0.84261113668182 0.51481181807879 0.96533303982085 39.098 > 29 33 Na 0.49298772147639 0.26037699842685 0.10330450527072 22.990 > 33 34 Na 0.99298772147639 0.26037699842685 0.10330450527072 22.990 > 33 35 Na 0.49298772147639 0.26037699842685 0.60330450527072 22.990 > 33 36 Na 0.99298772147639 0.26037699842685 0.60330450527072 22.990 > 33 37 Na 0.00701227852361 0.73962300157315 0.39669549472928 22.990 > 37 38 Na 0.50701227852361 0.73962300157315 0.39669549472928 22.990 > 37 39 Na 0.00701227852361 0.73962300157315 0.89669549472928 22.990 > 37 40 Na 0.50701227852361 0.73962300157315 0.89669549472928 22.990 > 37 41 Na 0.00701227852361 0.76037699842685 0.14669549472928 22.990 > 41 42 Na 0.50701227852361 0.76037699842685 0.14669549472928 22.990 > 41 43 Na 0.00701227852361 0.76037699842685 0.64669549472928 22.990 > 41 44 Na 0.50701227852361 0.76037699842685 0.64669549472928 22.990 > 41 45 Na 0.49298772147639 0.23962300157315 0.35330450527072 22.990 > 45 46 Na 0.99298772147639 0.23962300157315 0.35330450527072 22.990 > 45 47 Na 0.49298772147639 0.23962300157315 0.85330450527072 22.990 > 45 48 Na 0.99298772147639 0.23962300157315 0.85330450527072 22.990 > 45 49 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 49 50 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 49 51 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 49 52 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 49 53 Te 0.00000000000000 0.50000000000000 0.25000000000000 127.600 > 53 54 Te 0.50000000000000 0.50000000000000 0.25000000000000 127.600 > 53 55 Te 0.00000000000000 0.50000000000000 0.75000000000000 127.600 > 53 56 Te 0.50000000000000 0.50000000000000 0.75000000000000 127.600 > 53 57 O 0.39047289581820 0.15270998693128 0.42301326003210 15.999 > 57 58 O 0.89047289581820 0.15270998693128 0.42301326003210 15.999 > 57 59 O 0.39047289581820 0.15270998693128 0.92301326003210 15.999 > 57 60 O 0.89047289581820 0.15270998693128 0.92301326003210 15.999 > 57 61 O 0.12679320945833 0.12753150242447 0.10086340221995 15.999 > 61 62 O 0.62679320945833 0.12753150242447 0.10086340221995 15.999 > 61 63 O 0.12679320945833 0.12753150242447 0.60086340221995 15.999 > 61 64 O 0.62679320945833 0.12753150242447 0.60086340221995 15.999 > 61 65 O 0.12679320945833 0.37246849757554 0.35086340221995 15.999 > 65 66 O 0.62679320945833 0.37246849757554 0.35086340221995 15.999 > 65 67 O 0.12679320945833 0.37246849757554 0.85086340221995 15.999 > 65 68 O 0.62679320945833 0.37246849757554 0.85086340221995 15.999 > 65 69 O 0.44322017241217 0.99069147017605 0.09952611799816 15.999 > 69 70 O 0.94322017241217 0.99069147017605 0.09952611799816 15.999 > 69 71 O 0.44322017241217 0.99069147017605 0.59952611799816 15.999 > 69 72 O 0.94322017241217 0.99069147017605 0.59952611799816 15.999 > 69 73 O 0.44322017241217 0.50930852982395 0.34952611799816 15.999 > 73 74 O 0.94322017241217 0.50930852982395 0.34952611799816 15.999 > 73 75 O 0.44322017241217 0.50930852982395 0.84952611799816 15.999 > 73 76 O 0.94322017241217 0.50930852982395 0.84952611799816 15.999 > 73 77 O 0.39047289581820 0.34729001306872 0.17301326003210 15.999 > 77 78 O 0.89047289581820 0.34729001306872 0.17301326003210 15.999 > 77 79 O 0.39047289581820 0.34729001306872 0.67301326003210 15.999 > 77 80 O 0.89047289581820 0.34729001306872 0.67301326003210 15.999 > 77 81 O 0.05677982758783 0.00930852982395 0.40047388200184 15.999 > 81 82 O 0.55677982758783 0.00930852982395 0.40047388200184 15.999 > 81 83 O 0.05677982758783 0.00930852982395 0.90047388200184 15.999 > 81 84 O 0.55677982758783 0.00930852982395 0.90047388200184 15.999 > 81 85 O 0.37320679054167 0.62753150242446 0.14913659778005 15.999 > 85 86 O 0.87320679054167 0.62753150242446 0.14913659778005 15.999 > 85 87 O 0.37320679054167 0.62753150242446 0.64913659778005 15.999 > 85 88 O 0.87320679054167 0.62753150242446 0.64913659778005 15.999 > 85 89 O 0.10952710418180 0.84729001306872 0.07698673996790 15.999 > 89 90 O 0.60952710418180 0.84729001306872 0.07698673996790 15.999 > 89 91 O 0.10952710418180 0.84729001306872 0.57698673996790 15.999 > 89 92 O 0.60952710418180 0.84729001306872 0.57698673996790 15.999 > 89 93 O 0.10952710418180 0.65270998693128 0.32698673996790 15.999 > 93 94 O 0.60952710418180 0.65270998693128 0.32698673996790 15.999 > 93 95 O 0.10952710418180 0.65270998693128 0.82698673996790 15.999 > 93 96 O 0.60952710418180 0.65270998693128 0.82698673996790 15.999 > 93 97 O 0.05677982758783 0.49069147017605 0.15047388200184 15.999 > 97 98 O 0.55677982758783 0.49069147017605 0.15047388200184 15.999 > 97 99 O 0.05677982758783 0.49069147017605 0.65047388200184 15.999 > 97 100 O 0.55677982758783 0.49069147017605 0.65047388200184 15.999 > 97 101 O 0.37320679054167 0.87246849757554 0.39913659778005 15.999 > 101 102 O 0.87320679054167 0.87246849757554 0.39913659778005 15.999 > 101 103 O 0.37320679054167 0.87246849757554 0.89913659778005 15.999 > 101 104 O 0.87320679054167 0.87246849757554 0.89913659778005 15.999 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0419918 0.0000000 0.0262939 0.0000000 3.0383420 0.0000000 0.0262944 0.0000000 3.0891087 -------------------------- Born effective charges -------------------------- 1 K 1.2155557 0.0006253 0.0048963 -0.0024831 0.9823014 0.0218541 0.0306758 0.0293894 1.4181651 2 K 1.3004298 -0.0187170 0.0609489 -0.0279557 1.1473778 -0.0304233 0.0199020 0.0018683 1.0540317 3 K 1.2155557 -0.0006253 0.0048963 0.0024831 0.9823014 -0.0218541 0.0306758 -0.0293894 1.4181651 4 K 1.3004298 -0.0187170 0.0609489 -0.0279557 1.1473778 -0.0304233 0.0199020 0.0018683 1.0540317 5 K 1.3004298 0.0187170 0.0609489 0.0279557 1.1473778 0.0304233 0.0199020 -0.0018683 1.0540317 6 K 1.2155557 -0.0006253 0.0048963 0.0024831 0.9823014 -0.0218541 0.0306758 -0.0293894 1.4181651 7 K 1.3004298 0.0187170 0.0609489 0.0279557 1.1473778 0.0304233 0.0199020 -0.0018683 1.0540317 8 K 1.2155557 0.0006253 0.0048963 -0.0024831 0.9823014 0.0218541 0.0306758 0.0293894 1.4181651 9 Na 0.8639263 -0.0891033 -0.0216656 -0.1141087 1.1361465 0.2194914 -0.0323999 0.1938433 0.9539881 10 Na 0.8639263 -0.0891033 -0.0216656 -0.1141087 1.1361465 0.2194914 -0.0323999 0.1938433 0.9539881 11 Na 0.8639263 0.0891033 -0.0216656 0.1141087 1.1361465 -0.2194914 -0.0323999 -0.1938433 0.9539881 12 Na 0.8639263 0.0891033 -0.0216656 0.1141087 1.1361465 -0.2194914 -0.0323999 -0.1938433 0.9539881 13 Te 4.4314208 -0.0634550 0.0775243 -0.0203553 4.3011688 0.0505790 0.0732184 -0.0119626 4.4107265 14 Te 4.4314208 0.0634550 0.0775243 0.0203553 4.3011688 -0.0505790 0.0732184 0.0119626 4.4107265 15 O -1.6707577 0.4042537 -0.2322489 0.3938843 -2.0552869 0.4422801 -0.2397457 0.4097657 -1.7716000 16 O -1.7032012 -0.3352411 -0.2889745 -0.3539131 -1.8708486 -0.4561190 -0.2912014 -0.4198278 -1.9800673 17 O -1.7032012 0.3352411 -0.2889745 0.3539131 -1.8708486 0.4561190 -0.2912014 0.4198278 -1.9800673 18 O -2.2216633 -0.0534733 0.4382817 -0.0634562 -1.4902746 0.0315279 0.4761600 0.0313581 -1.8798808 19 O -2.2216633 0.0534733 0.4382817 0.0634562 -1.4902746 -0.0315279 0.4761600 -0.0313581 -1.8798808 20 O -1.6707577 -0.4042537 -0.2322489 -0.3938843 -2.0552869 -0.4422801 -0.2397457 -0.4097657 -1.7716000 21 O -2.2216633 -0.0534733 0.4382817 -0.0634562 -1.4902746 0.0315279 0.4761600 0.0313581 -1.8798808 22 O -1.7032012 0.3352411 -0.2889745 0.3539131 -1.8708486 0.4561190 -0.2912014 0.4198278 -1.9800673 23 O -1.6707577 0.4042537 -0.2322489 0.3938843 -2.0552869 0.4422801 -0.2397457 0.4097657 -1.7716000 24 O -1.6707577 -0.4042537 -0.2322489 -0.3938843 -2.0552869 -0.4422801 -0.2397457 -0.4097657 -1.7716000 25 O -2.2216633 0.0534733 0.4382817 0.0634562 -1.4902746 -0.0315279 0.4761600 -0.0313581 -1.8798808 26 O -1.7032012 -0.3352411 -0.2889745 -0.3539131 -1.8708486 -0.4561190 -0.2912014 -0.4198278 -1.9800673 ---------------------------------------------------------------------------- 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 69, 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xy) 0.00000002 (xy) 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 13:40:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:40:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.705167000478199 0.000000000000000 0.000000000000000 b 0.000000000000000 9.941568200000001 0.000000000000000 c -3.973851399314530 0.000000000000000 6.124155980256933 Atomic positions (fractional): 1 K 0.31477772663636 0.48518818192121 0.06933392035830 39.098 2 K 0.50258360474553 0.32256363098613 0.51727846522306 39.098 3 K 0.68522227336364 0.98518818192121 0.43066607964170 39.098 4 K 0.49741639525447 0.67743636901387 0.48272153477694 39.098 5 K 0.50258360474553 0.17743636901387 0.01727846522306 39.098 6 K 0.31477772663636 0.01481181807879 0.56933392035830 39.098 7 K 0.49741639525447 0.82256363098613 0.98272153477694 39.098 8 K 0.68522227336364 0.51481181807879 0.93066607964170 39.098 9 Na 0.98597544295279 0.26037699842685 0.20660901054145 22.990 10 Na 0.01402455704721 0.73962300157315 0.79339098945855 22.990 11 Na 0.01402455704721 0.76037699842685 0.29339098945855 22.990 12 Na 0.98597544295279 0.23962300157315 0.70660901054145 22.990 13 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 14 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 15 O 0.78094579163639 0.15270998693128 0.84602652006420 15.999 16 O 0.25358641891667 0.12753150242447 0.20172680443989 15.999 17 O 0.25358641891667 0.37246849757554 0.70172680443989 15.999 18 O 0.88644034482434 0.99069147017605 0.19905223599632 15.999 19 O 0.88644034482434 0.50930852982395 0.69905223599632 15.999 20 O 0.78094579163639 0.34729001306872 0.34602652006420 15.999 21 O 0.11355965517566 0.00930852982395 0.80094776400368 15.999 22 O 0.74641358108333 0.62753150242446 0.29827319556011 15.999 23 O 0.21905420836361 0.84729001306872 0.15397347993580 15.999 24 O 0.21905420836361 0.65270998693128 0.65397347993580 15.999 25 O 0.11355965517566 0.49069147017605 0.30094776400368 15.999 26 O 0.74641358108333 0.87246849757554 0.79827319556011 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.410334000956398 0.000000000000000 0.000000000000000 b 0.000000000000000 9.941568200000001 0.000000000000000 c -7.947702798629060 0.000000000000000 12.248311960513867 Atomic positions (fractional): 1 K 0.15738886331818 0.48518818192121 0.03466696017915 39.098 > 1 2 K 0.65738886331818 0.48518818192121 0.03466696017915 39.098 > 1 3 K 0.15738886331818 0.48518818192121 0.53466696017915 39.098 > 1 4 K 0.65738886331818 0.48518818192121 0.53466696017915 39.098 > 1 5 K 0.25129180237276 0.32256363098613 0.25863923261153 39.098 > 5 6 K 0.75129180237276 0.32256363098613 0.25863923261153 39.098 > 5 7 K 0.25129180237276 0.32256363098613 0.75863923261153 39.098 > 5 8 K 0.75129180237276 0.32256363098613 0.75863923261153 39.098 > 5 9 K 0.34261113668182 0.98518818192121 0.21533303982085 39.098 > 9 10 K 0.84261113668182 0.98518818192121 0.21533303982085 39.098 > 9 11 K 0.34261113668182 0.98518818192121 0.71533303982085 39.098 > 9 12 K 0.84261113668182 0.98518818192121 0.71533303982085 39.098 > 9 13 K 0.24870819762724 0.67743636901387 0.24136076738847 39.098 > 13 14 K 0.74870819762724 0.67743636901387 0.24136076738847 39.098 > 13 15 K 0.24870819762724 0.67743636901387 0.74136076738847 39.098 > 13 16 K 0.74870819762724 0.67743636901387 0.74136076738847 39.098 > 13 17 K 0.25129180237276 0.17743636901387 0.00863923261153 39.098 > 17 18 K 0.75129180237276 0.17743636901387 0.00863923261153 39.098 > 17 19 K 0.25129180237276 0.17743636901387 0.50863923261153 39.098 > 17 20 K 0.75129180237276 0.17743636901387 0.50863923261153 39.098 > 17 21 K 0.15738886331818 0.01481181807879 0.28466696017915 39.098 > 21 22 K 0.65738886331818 0.01481181807879 0.28466696017915 39.098 > 21 23 K 0.15738886331818 0.01481181807879 0.78466696017915 39.098 > 21 24 K 0.65738886331818 0.01481181807879 0.78466696017915 39.098 > 21 25 K 0.24870819762724 0.82256363098613 0.49136076738847 39.098 > 25 26 K 0.74870819762724 0.82256363098613 0.49136076738847 39.098 > 25 27 K 0.24870819762724 0.82256363098613 0.99136076738847 39.098 > 25 28 K 0.74870819762724 0.82256363098613 0.99136076738847 39.098 > 25 29 K 0.34261113668182 0.51481181807879 0.46533303982085 39.098 > 29 30 K 0.84261113668182 0.51481181807879 0.46533303982085 39.098 > 29 31 K 0.34261113668182 0.51481181807879 0.96533303982085 39.098 > 29 32 K 0.84261113668182 0.51481181807879 0.96533303982085 39.098 > 29 33 Na 0.49298772147639 0.26037699842685 0.10330450527072 22.990 > 33 34 Na 0.99298772147639 0.26037699842685 0.10330450527072 22.990 > 33 35 Na 0.49298772147639 0.26037699842685 0.60330450527072 22.990 > 33 36 Na 0.99298772147639 0.26037699842685 0.60330450527072 22.990 > 33 37 Na 0.00701227852361 0.73962300157315 0.39669549472928 22.990 > 37 38 Na 0.50701227852361 0.73962300157315 0.39669549472928 22.990 > 37 39 Na 0.00701227852361 0.73962300157315 0.89669549472928 22.990 > 37 40 Na 0.50701227852361 0.73962300157315 0.89669549472928 22.990 > 37 41 Na 0.00701227852361 0.76037699842685 0.14669549472928 22.990 > 41 42 Na 0.50701227852361 0.76037699842685 0.14669549472928 22.990 > 41 43 Na 0.00701227852361 0.76037699842685 0.64669549472928 22.990 > 41 44 Na 0.50701227852361 0.76037699842685 0.64669549472928 22.990 > 41 45 Na 0.49298772147639 0.23962300157315 0.35330450527072 22.990 > 45 46 Na 0.99298772147639 0.23962300157315 0.35330450527072 22.990 > 45 47 Na 0.49298772147639 0.23962300157315 0.85330450527072 22.990 > 45 48 Na 0.99298772147639 0.23962300157315 0.85330450527072 22.990 > 45 49 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 49 50 Te 0.50000000000000 0.00000000000000 0.00000000000000 127.600 > 49 51 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 49 52 Te 0.50000000000000 0.00000000000000 0.50000000000000 127.600 > 49 53 Te 0.00000000000000 0.50000000000000 0.25000000000000 127.600 > 53 54 Te 0.50000000000000 0.50000000000000 0.25000000000000 127.600 > 53 55 Te 0.00000000000000 0.50000000000000 0.75000000000000 127.600 > 53 56 Te 0.50000000000000 0.50000000000000 0.75000000000000 127.600 > 53 57 O 0.39047289581820 0.15270998693128 0.42301326003210 15.999 > 57 58 O 0.89047289581820 0.15270998693128 0.42301326003210 15.999 > 57 59 O 0.39047289581820 0.15270998693128 0.92301326003210 15.999 > 57 60 O 0.89047289581820 0.15270998693128 0.92301326003210 15.999 > 57 61 O 0.12679320945833 0.12753150242447 0.10086340221995 15.999 > 61 62 O 0.62679320945833 0.12753150242447 0.10086340221995 15.999 > 61 63 O 0.12679320945833 0.12753150242447 0.60086340221995 15.999 > 61 64 O 0.62679320945833 0.12753150242447 0.60086340221995 15.999 > 61 65 O 0.12679320945833 0.37246849757554 0.35086340221995 15.999 > 65 66 O 0.62679320945833 0.37246849757554 0.35086340221995 15.999 > 65 67 O 0.12679320945833 0.37246849757554 0.85086340221995 15.999 > 65 68 O 0.62679320945833 0.37246849757554 0.85086340221995 15.999 > 65 69 O 0.44322017241217 0.99069147017605 0.09952611799816 15.999 > 69 70 O 0.94322017241217 0.99069147017605 0.09952611799816 15.999 > 69 71 O 0.44322017241217 0.99069147017605 0.59952611799816 15.999 > 69 72 O 0.94322017241217 0.99069147017605 0.59952611799816 15.999 > 69 73 O 0.44322017241217 0.50930852982395 0.34952611799816 15.999 > 73 74 O 0.94322017241217 0.50930852982395 0.34952611799816 15.999 > 73 75 O 0.44322017241217 0.50930852982395 0.84952611799816 15.999 > 73 76 O 0.94322017241217 0.50930852982395 0.84952611799816 15.999 > 73 77 O 0.39047289581820 0.34729001306872 0.17301326003210 15.999 > 77 78 O 0.89047289581820 0.34729001306872 0.17301326003210 15.999 > 77 79 O 0.39047289581820 0.34729001306872 0.67301326003210 15.999 > 77 80 O 0.89047289581820 0.34729001306872 0.67301326003210 15.999 > 77 81 O 0.05677982758783 0.00930852982395 0.40047388200184 15.999 > 81 82 O 0.55677982758783 0.00930852982395 0.40047388200184 15.999 > 81 83 O 0.05677982758783 0.00930852982395 0.90047388200184 15.999 > 81 84 O 0.55677982758783 0.00930852982395 0.90047388200184 15.999 > 81 85 O 0.37320679054167 0.62753150242446 0.14913659778005 15.999 > 85 86 O 0.87320679054167 0.62753150242446 0.14913659778005 15.999 > 85 87 O 0.37320679054167 0.62753150242446 0.64913659778005 15.999 > 85 88 O 0.87320679054167 0.62753150242446 0.64913659778005 15.999 > 85 89 O 0.10952710418180 0.84729001306872 0.07698673996790 15.999 > 89 90 O 0.60952710418180 0.84729001306872 0.07698673996790 15.999 > 89 91 O 0.10952710418180 0.84729001306872 0.57698673996790 15.999 > 89 92 O 0.60952710418180 0.84729001306872 0.57698673996790 15.999 > 89 93 O 0.10952710418180 0.65270998693128 0.32698673996790 15.999 > 93 94 O 0.60952710418180 0.65270998693128 0.32698673996790 15.999 > 93 95 O 0.10952710418180 0.65270998693128 0.82698673996790 15.999 > 93 96 O 0.60952710418180 0.65270998693128 0.82698673996790 15.999 > 93 97 O 0.05677982758783 0.49069147017605 0.15047388200184 15.999 > 97 98 O 0.55677982758783 0.49069147017605 0.15047388200184 15.999 > 97 99 O 0.05677982758783 0.49069147017605 0.65047388200184 15.999 > 97 100 O 0.55677982758783 0.49069147017605 0.65047388200184 15.999 > 97 101 O 0.37320679054167 0.87246849757554 0.39913659778005 15.999 > 101 102 O 0.87320679054167 0.87246849757554 0.39913659778005 15.999 > 101 103 O 0.37320679054167 0.87246849757554 0.89913659778005 15.999 > 101 104 O 0.87320679054167 0.87246849757554 0.89913659778005 15.999 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0419918 0.0000000 0.0262939 0.0000000 3.0383420 0.0000000 0.0262944 0.0000000 3.0891087 -------------------------- Born effective charges -------------------------- 1 K 1.2155557 0.0006253 0.0048963 -0.0024831 0.9823014 0.0218541 0.0306758 0.0293894 1.4181651 2 K 1.3004298 -0.0187170 0.0609489 -0.0279557 1.1473778 -0.0304233 0.0199020 0.0018683 1.0540317 3 K 1.2155557 -0.0006253 0.0048963 0.0024831 0.9823014 -0.0218541 0.0306758 -0.0293894 1.4181651 4 K 1.3004298 -0.0187170 0.0609489 -0.0279557 1.1473778 -0.0304233 0.0199020 0.0018683 1.0540317 5 K 1.3004298 0.0187170 0.0609489 0.0279557 1.1473778 0.0304233 0.0199020 -0.0018683 1.0540317 6 K 1.2155557 -0.0006253 0.0048963 0.0024831 0.9823014 -0.0218541 0.0306758 -0.0293894 1.4181651 7 K 1.3004298 0.0187170 0.0609489 0.0279557 1.1473778 0.0304233 0.0199020 -0.0018683 1.0540317 8 K 1.2155557 0.0006253 0.0048963 -0.0024831 0.9823014 0.0218541 0.0306758 0.0293894 1.4181651 9 Na 0.8639263 -0.0891033 -0.0216656 -0.1141087 1.1361465 0.2194914 -0.0323999 0.1938433 0.9539881 10 Na 0.8639263 -0.0891033 -0.0216656 -0.1141087 1.1361465 0.2194914 -0.0323999 0.1938433 0.9539881 11 Na 0.8639263 0.0891033 -0.0216656 0.1141087 1.1361465 -0.2194914 -0.0323999 -0.1938433 0.9539881 12 Na 0.8639263 0.0891033 -0.0216656 0.1141087 1.1361465 -0.2194914 -0.0323999 -0.1938433 0.9539881 13 Te 4.4314208 -0.0634550 0.0775243 -0.0203553 4.3011688 0.0505790 0.0732184 -0.0119626 4.4107265 14 Te 4.4314208 0.0634550 0.0775243 0.0203553 4.3011688 -0.0505790 0.0732184 0.0119626 4.4107265 15 O -1.6707577 0.4042537 -0.2322489 0.3938843 -2.0552869 0.4422801 -0.2397457 0.4097657 -1.7716000 16 O -1.7032012 -0.3352411 -0.2889745 -0.3539131 -1.8708486 -0.4561190 -0.2912014 -0.4198278 -1.9800673 17 O -1.7032012 0.3352411 -0.2889745 0.3539131 -1.8708486 0.4561190 -0.2912014 0.4198278 -1.9800673 18 O -2.2216633 -0.0534733 0.4382817 -0.0634562 -1.4902746 0.0315279 0.4761600 0.0313581 -1.8798808 19 O -2.2216633 0.0534733 0.4382817 0.0634562 -1.4902746 -0.0315279 0.4761600 -0.0313581 -1.8798808 20 O -1.6707577 -0.4042537 -0.2322489 -0.3938843 -2.0552869 -0.4422801 -0.2397457 -0.4097657 -1.7716000 21 O -2.2216633 -0.0534733 0.4382817 -0.0634562 -1.4902746 0.0315279 0.4761600 0.0313581 -1.8798808 22 O -1.7032012 0.3352411 -0.2889745 0.3539131 -1.8708486 0.4561190 -0.2912014 0.4198278 -1.9800673 23 O -1.6707577 0.4042537 -0.2322489 0.3938843 -2.0552869 0.4422801 -0.2397457 0.4097657 -1.7716000 24 O -1.6707577 -0.4042537 -0.2322489 -0.3938843 -2.0552869 -0.4422801 -0.2397457 -0.4097657 -1.7716000 25 O -2.2216633 0.0534733 0.4382817 0.0634562 -1.4902746 -0.0315279 0.4761600 -0.0313581 -1.8798808 26 O -1.7032012 -0.3352411 -0.2889745 -0.3539131 -1.8708486 -0.4561190 -0.2912014 -0.4198278 -1.9800673 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) 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 ... [ 9 5 8 ] 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: 0.56, Number of G-points: 301, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/111) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.831 ( 0.000 0.000 0.000) 0.000 1.882 ( 0.000 0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.467 ( 0.000 0.000 0.000) 0.000 2.486 ( 0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.819 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 2.871 ( 0.000 0.000 0.000) 0.000 2.948 ( 0.000 0.000 0.000) 0.000 3.386 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.585 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.719 ( 0.000 0.000 0.000) 0.000 3.836 ( 0.000 0.000 0.000) 0.000 3.892 ( 0.000 0.000 0.000) 0.000 3.942 ( 0.000 0.000 0.000) 0.000 4.348 ( 0.000 0.000 0.000) 0.000 4.461 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.589 ( 0.000 0.000 0.000) 0.000 4.741 ( 0.000 0.000 0.000) 0.000 4.822 ( 0.000 0.000 0.000) 0.000 4.876 ( 0.000 0.000 0.000) 0.000 4.969 ( 0.000 0.000 0.000) 0.000 4.988 ( 0.000 0.000 0.000) 0.000 5.381 ( 0.000 0.000 0.000) 0.000 5.649 ( 0.000 0.000 0.000) 0.000 5.662 ( 0.000 0.000 0.000) 0.000 5.673 ( 0.000 0.000 0.000) 0.000 5.767 ( 0.000 0.000 0.000) 0.000 5.892 ( 0.000 0.000 0.000) 0.000 6.065 ( 0.000 0.000 0.000) 0.000 6.107 ( 0.000 0.000 0.000) 0.000 6.196 ( 0.000 0.000 0.000) 0.000 6.357 ( 0.000 0.000 0.000) 0.000 6.742 ( 0.000 0.000 0.000) 0.000 6.924 ( 0.000 0.000 0.000) 0.000 6.939 ( 0.000 0.000 0.000) 0.000 7.066 ( 0.000 0.000 0.000) 0.000 7.512 ( 0.000 0.000 0.000) 0.000 7.944 ( 0.000 0.000 0.000) 0.000 8.207 ( 0.000 0.000 0.000) 0.000 8.443 ( 0.000 0.000 0.000) 0.000 8.665 ( 0.000 0.000 0.000) 0.000 8.792 ( 0.000 0.000 0.000) 0.000 9.107 ( 0.000 0.000 0.000) 0.000 9.496 ( 0.000 0.000 0.000) 0.000 9.973 ( 0.000 0.000 0.000) 0.000 11.104 ( 0.000 0.000 0.000) 0.000 11.270 ( 0.000 0.000 0.000) 0.000 11.364 ( 0.000 0.000 0.000) 0.000 11.500 ( 0.000 0.000 0.000) 0.000 11.660 ( 0.000 0.000 0.000) 0.000 11.924 ( 0.000 0.000 0.000) 0.000 12.211 ( 0.000 0.000 0.000) 0.000 12.262 ( 0.000 0.000 0.000) 0.000 12.392 ( 0.000 0.000 0.000) 0.000 12.528 ( 0.000 0.000 0.000) 0.000 12.548 ( 0.000 0.000 0.000) 0.000 12.899 ( 0.000 0.000 0.000) 0.000 13.038 ( 0.000 0.000 0.000) 0.000 14.400 ( 0.000 0.000 0.000) 0.000 14.727 ( 0.000 0.000 0.000) 0.000 15.164 ( 0.000 0.000 0.000) 0.000 15.379 ( 0.000 0.000 0.000) 0.000 15.409 ( 0.000 0.000 0.000) 0.000 15.905 ( 0.000 0.000 0.000) 0.000 16.111 ( 0.000 0.000 0.000) 0.000 16.131 ( 0.000 0.000 0.000) 0.000 16.147 ( 0.000 0.000 0.000) 0.000 17.084 ( 0.000 0.000 0.000) 0.000 18.065 ( 0.000 0.000 0.000) 0.000 18.114 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/111) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 20.106 0.000 17.628) 26.739 0.604 ( 23.619 0.000 18.279) 29.866 1.046 ( 47.769 0.000 18.015) 51.053 1.816 ( -1.127 0.000 -2.382) 2.635 1.932 ( 2.427 0.000 6.882) 7.297 2.076 ( 4.612 0.000 0.498) 4.639 2.303 ( -12.217 0.000 -4.499) 13.019 2.564 ( 4.186 0.000 4.605) 6.223 2.578 ( 2.289 0.000 -5.868) 6.299 2.823 ( -0.885 0.000 2.714) 2.855 2.828 ( 0.332 0.000 0.253) 0.417 2.963 ( 4.458 0.000 -0.259) 4.466 3.151 ( 12.192 0.000 11.816) 16.978 3.370 ( 0.644 0.000 -2.860) 2.931 3.551 ( -5.951 0.000 0.969) 6.030 3.609 ( 7.525 0.000 -0.522) 7.543 3.686 ( 1.288 0.000 -1.845) 2.250 3.827 ( -1.878 0.000 5.939) 6.228 3.880 ( -0.804 0.000 -1.407) 1.620 3.931 ( 3.507 0.000 7.026) 7.853 3.971 ( 6.735 0.000 -6.990) 9.706 4.290 ( -5.158 0.000 -1.176) 5.290 4.555 ( 0.316 0.000 -0.640) 0.714 4.612 ( -3.302 0.000 -1.179) 3.506 4.649 ( -6.996 0.000 -0.036) 6.996 4.651 ( -9.294 0.000 -10.452) 13.987 4.746 ( -0.640 0.000 -6.368) 6.400 4.788 ( -7.349 0.000 0.259) 7.353 5.037 ( 2.232 0.000 4.961) 5.439 5.103 ( 3.708 0.000 2.563) 4.508 5.295 ( -4.408 0.000 -2.384) 5.012 5.624 ( -4.752 0.000 0.854) 4.829 5.642 ( -1.629 0.000 -3.440) 3.806 5.761 ( -1.727 0.000 1.508) 2.293 5.865 ( -1.949 0.000 -1.993) 2.788 5.917 ( -8.304 0.000 -1.539) 8.446 6.152 ( -21.843 0.000 27.122) 34.824 6.230 ( 8.098 0.000 3.012) 8.640 6.273 ( 5.626 0.000 3.352) 6.549 6.461 ( 5.629 0.000 5.045) 7.559 6.737 ( -1.702 0.000 0.764) 1.865 6.891 ( -2.696 0.000 -3.830) 4.684 7.041 ( 7.047 0.000 -23.267) 24.310 7.101 ( 3.375 0.000 1.358) 3.638 7.556 ( -6.673 0.000 8.200) 10.572 7.910 ( -4.543 0.000 0.952) 4.642 8.202 ( -0.299 0.000 -3.784) 3.795 8.431 ( -0.759 0.000 -0.835) 1.128 8.670 ( 3.197 0.000 -3.895) 5.039 8.803 ( -1.934 0.000 4.761) 5.139 9.100 ( -0.367 0.000 -0.712) 0.801 9.556 ( -2.161 0.000 2.211) 3.092 10.000 ( -3.260 0.000 3.202) 4.570 11.116 ( 0.962 0.000 -0.281) 1.002 11.280 ( 1.927 0.000 -0.474) 1.984 11.423 ( -10.354 0.000 5.885) 11.910 11.619 ( -0.686 0.000 -5.303) 5.347 11.714 ( -11.257 0.000 25.484) 27.860 11.964 ( -0.716 0.000 6.946) 6.983 12.220 ( 0.020 0.000 1.598) 1.598 12.276 ( 1.660 0.000 0.652) 1.783 12.559 ( 4.114 0.000 -1.039) 4.243 12.578 ( 1.923 0.000 2.374) 3.055 12.740 ( 1.026 0.000 -6.229) 6.313 12.907 ( -0.349 0.000 2.064) 2.093 13.570 ( 19.508 0.000 -32.698) 38.075 14.510 ( 7.776 0.000 7.366) 10.711 14.713 ( -2.930 0.000 2.079) 3.592 15.185 ( 1.457 0.000 1.581) 2.150 15.415 ( -0.081 0.000 1.189) 1.192 15.903 ( -0.714 0.000 0.906) 1.154 15.948 ( -17.789 0.000 26.550) 31.959 16.073 ( -7.739 0.000 8.843) 11.752 16.186 ( 11.573 0.000 -11.772) 16.508 16.986 ( -4.295 0.000 -6.758) 8.007 18.025 ( 14.096 0.000 -23.253) 27.192 18.075 ( 1.404 0.000 -0.819) 1.626 18.113 ( 0.131 0.000 -0.371) 0.393 ======================= Grid point 2 (3/111) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 17.458 0.000 14.953) 22.986 1.156 ( 19.283 0.000 17.008) 25.712 1.750 ( -0.856 0.000 -4.816) 4.892 1.781 ( 17.617 0.000 6.706) 18.851 2.087 ( -7.576 0.000 -3.878) 8.511 2.188 ( 4.893 0.000 2.900) 5.688 2.257 ( 27.280 0.000 16.382) 31.821 2.497 ( -2.147 0.000 -4.385) 4.882 2.744 ( 6.574 0.000 3.373) 7.389 2.843 ( -0.418 0.000 2.598) 2.631 2.849 ( 4.300 0.000 -0.261) 4.308 3.046 ( 5.165 0.000 0.075) 5.165 3.328 ( 0.814 0.000 -1.659) 1.848 3.422 ( -9.137 0.000 0.102) 9.137 3.444 ( 6.085 0.000 5.900) 8.476 3.735 ( 4.722 0.000 -2.803) 5.492 3.738 ( 2.006 0.000 4.540) 4.963 3.797 ( -2.953 0.000 3.514) 4.590 3.922 ( 6.432 0.000 0.383) 6.444 4.020 ( -1.503 0.000 -3.023) 3.376 4.100 ( 14.326 0.000 -1.767) 14.435 4.190 ( -8.071 0.000 7.738) 11.181 4.280 ( -8.856 0.000 -12.564) 15.372 4.467 ( -8.494 0.000 -4.309) 9.525 4.548 ( -2.200 0.000 -6.524) 6.885 4.583 ( -0.255 0.000 3.021) 3.031 4.679 ( -6.438 0.000 1.867) 6.703 4.758 ( 3.074 0.000 -2.045) 3.692 5.094 ( 0.283 0.000 -5.260) 5.267 5.132 ( 1.837 0.000 6.542) 6.795 5.251 ( -3.252 0.000 2.299) 3.982 5.497 ( -6.029 0.000 -2.774) 6.637 5.589 ( -3.104 0.000 -2.398) 3.923 5.743 ( -2.390 0.000 1.045) 2.608 5.790 ( -3.422 0.000 -2.858) 4.458 5.801 ( -5.071 0.000 2.596) 5.697 6.061 ( -12.196 0.000 9.175) 15.261 6.376 ( 3.697 0.000 1.157) 3.873 6.424 ( 7.172 0.000 5.700) 9.162 6.597 ( 6.008 0.000 1.976) 6.325 6.644 ( -7.750 0.000 -5.431) 9.463 6.807 ( -4.648 0.000 -10.975) 11.919 6.851 ( -2.868 0.000 -5.734) 6.412 7.199 ( 5.428 0.000 2.573) 6.007 7.538 ( -3.196 0.000 3.724) 4.907 7.825 ( -6.931 0.000 1.744) 7.147 8.143 ( -1.940 0.000 -3.270) 3.802 8.404 ( -1.107 0.000 -1.053) 1.528 8.688 ( 5.689 0.000 -6.326) 8.508 8.823 ( -3.749 0.000 7.473) 8.361 9.081 ( -0.379 0.000 -1.375) 1.427 9.532 ( -3.202 0.000 1.664) 3.608 9.983 ( -2.306 0.000 2.545) 3.434 11.111 ( -0.752 0.000 -0.744) 1.058 11.324 ( -7.175 0.000 3.482) 7.976 11.328 ( 3.955 0.000 -0.890) 4.054 11.549 ( -0.760 0.000 -4.616) 4.678 11.787 ( -2.871 0.000 9.383) 9.812 12.026 ( -1.777 0.000 7.960) 8.156 12.243 ( 0.061 0.000 2.480) 2.481 12.331 ( 3.655 0.000 0.729) 3.727 12.632 ( 6.791 0.000 -2.642) 7.287 12.651 ( 2.781 0.000 3.281) 4.301 12.676 ( -0.582 0.000 -5.807) 5.836 12.928 ( -1.204 0.000 3.936) 4.116 13.541 ( 8.675 0.000 -15.777) 18.004 14.678 ( -4.514 0.000 3.095) 5.473 14.782 ( 12.173 0.000 10.523) 16.091 15.242 ( 2.137 0.000 3.376) 3.995 15.433 ( 0.351 0.000 1.845) 1.879 15.903 ( -0.466 0.000 0.872) 0.989 15.937 ( -8.418 0.000 11.794) 14.490 16.051 ( -6.194 0.000 8.221) 10.293 16.245 ( 10.805 0.000 -12.163) 16.269 16.784 ( -9.170 0.000 -9.218) 13.003 18.007 ( 6.535 0.000 -11.757) 13.451 18.088 ( 0.413 0.000 0.372) 0.556 18.111 ( 0.197 0.000 -0.442) 0.484 ======================= Grid point 3 (4/111) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 8.642 0.000 5.780) 10.397 1.556 ( 8.047 0.000 11.797) 14.280 1.753 ( 5.937 0.000 1.798) 6.203 1.974 ( -0.115 0.000 -2.677) 2.680 2.030 ( 7.939 0.000 9.027) 12.021 2.241 ( -1.428 0.000 -0.077) 1.431 2.435 ( -1.164 0.000 -1.453) 1.862 2.767 ( -0.782 0.000 -0.567) 0.966 2.793 ( 7.308 0.000 -0.064) 7.308 2.949 ( 16.637 0.000 4.046) 17.122 3.022 ( 11.315 0.000 0.532) 11.327 3.109 ( 3.217 0.000 0.735) 3.300 3.276 ( -7.670 0.000 -0.476) 7.685 3.323 ( -3.107 0.000 4.242) 5.258 3.541 ( 3.468 0.000 0.608) 3.521 3.677 ( -13.803 0.000 -6.553) 15.279 3.718 ( 1.141 0.000 0.104) 1.145 3.842 ( -0.526 0.000 2.875) 2.922 3.898 ( 2.446 0.000 1.575) 2.910 4.058 ( 11.289 0.000 -4.003) 11.977 4.123 ( -3.337 0.000 -2.791) 4.350 4.258 ( -0.253 0.000 8.454) 8.458 4.277 ( 7.834 0.000 -5.904) 9.810 4.305 ( -6.212 0.000 -0.014) 6.212 4.457 ( 0.131 0.000 -6.305) 6.306 4.579 ( -6.178 0.000 5.372) 8.187 4.752 ( 2.520 0.000 -4.580) 5.228 4.774 ( 12.247 0.000 10.274) 15.986 5.100 ( 2.617 0.000 0.445) 2.655 5.166 ( -8.909 0.000 1.075) 8.974 5.243 ( 2.752 0.000 7.399) 7.895 5.404 ( -0.531 0.000 -4.272) 4.305 5.484 ( -4.348 0.000 -3.662) 5.684 5.666 ( -1.417 0.000 -7.376) 7.511 5.741 ( -4.130 0.000 4.225) 5.908 5.802 ( -1.897 0.000 6.013) 6.305 5.964 ( -8.093 0.000 4.886) 9.454 6.392 ( -11.870 0.000 -10.493) 15.843 6.424 ( 1.547 0.000 0.191) 1.559 6.467 ( -13.919 0.000 -13.939) 19.698 6.550 ( 3.035 0.000 1.984) 3.626 6.708 ( 5.387 0.000 0.759) 5.440 6.853 ( 1.213 0.000 0.600) 1.353 7.317 ( 5.145 0.000 2.237) 5.610 7.529 ( -1.670 0.000 2.020) 2.621 7.733 ( -6.274 0.000 1.947) 6.569 8.078 ( -1.911 0.000 -2.516) 3.159 8.376 ( -1.017 0.000 -0.669) 1.218 8.721 ( 7.226 0.000 -7.486) 10.404 8.831 ( -5.581 0.000 8.151) 9.878 9.061 ( -0.039 0.000 -1.535) 1.536 9.489 ( -3.752 0.000 1.536) 4.054 9.981 ( -0.845 0.000 1.793) 1.982 11.088 ( -0.916 0.000 -0.587) 1.087 11.267 ( -3.575 0.000 2.336) 4.271 11.359 ( 1.270 0.000 -1.894) 2.280 11.516 ( 1.006 0.000 -1.455) 1.769 11.818 ( -1.727 0.000 3.660) 4.047 12.071 ( -1.808 0.000 5.849) 6.122 12.274 ( 0.303 0.000 2.586) 2.604 12.396 ( 3.106 0.000 0.329) 3.123 12.604 ( -0.562 0.000 -5.356) 5.386 12.723 ( 8.431 0.000 -4.107) 9.378 12.728 ( 1.835 0.000 3.209) 3.696 12.944 ( -2.905 0.000 5.064) 5.838 13.522 ( 4.665 0.000 -8.276) 9.500 14.637 ( -3.955 0.000 2.660) 4.766 15.094 ( 11.972 0.000 7.163) 13.951 15.333 ( 2.529 0.000 7.442) 7.860 15.463 ( 0.822 0.000 1.584) 1.784 15.907 ( 0.045 0.000 0.451) 0.453 15.927 ( -3.863 0.000 5.663) 6.855 16.041 ( -4.746 0.000 6.590) 8.121 16.280 ( 7.630 0.000 -9.684) 12.329 16.503 ( -11.243 0.000 -10.495) 15.380 17.990 ( 3.444 0.000 -6.730) 7.560 18.096 ( -0.112 0.000 0.580) 0.591 18.110 ( 0.166 0.000 -0.271) 0.318 ======================= Grid point 4 (5/111) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 1.187 0.000 -0.746) 1.402 1.680 ( 0.081 0.000 3.001) 3.002 1.956 ( 8.478 0.000 7.082) 11.047 1.966 ( 0.343 0.000 0.091) 0.355 2.149 ( -5.362 0.000 -4.581) 7.052 2.308 ( 9.742 0.000 8.405) 12.866 2.424 ( -0.214 0.000 0.633) 0.668 2.749 ( -4.376 0.000 -4.585) 6.338 2.763 ( 0.202 0.000 0.018) 0.203 3.024 ( 1.965 0.000 -4.962) 5.337 3.113 ( -0.854 0.000 -1.401) 1.641 3.221 ( 2.257 0.000 0.319) 2.280 3.258 ( 2.539 0.000 -0.285) 2.555 3.343 ( 0.868 0.000 7.333) 7.384 3.425 ( -6.412 0.000 -3.912) 7.511 3.576 ( 0.336 0.000 -1.437) 1.476 3.752 ( -0.801 0.000 0.233) 0.834 3.886 ( 4.023 0.000 2.446) 4.708 3.965 ( 1.010 0.000 2.249) 2.465 4.063 ( -1.662 0.000 -0.458) 1.724 4.165 ( 4.922 0.000 -2.429) 5.488 4.269 ( -3.050 0.000 4.660) 5.570 4.278 ( 3.017 0.000 -6.922) 7.551 4.291 ( -0.558 0.000 0.102) 0.567 4.442 ( 1.314 0.000 -0.190) 1.327 4.574 ( -1.045 0.000 4.423) 4.545 4.802 ( 6.302 0.000 -0.039) 6.302 4.993 ( -8.756 0.000 -1.961) 8.973 5.110 ( 10.660 0.000 7.468) 13.015 5.156 ( 0.403 0.000 1.963) 2.004 5.364 ( 2.310 0.000 3.775) 4.425 5.369 ( 0.294 0.000 -2.276) 2.295 5.405 ( -1.303 0.000 -1.505) 1.991 5.619 ( 5.318 0.000 -3.039) 6.125 5.711 ( -4.887 0.000 3.374) 5.939 5.831 ( -0.720 0.000 2.680) 2.775 5.909 ( -5.102 0.000 5.058) 7.184 6.037 ( -10.969 0.000 -12.450) 16.593 6.164 ( -7.169 0.000 -6.979) 10.005 6.440 ( 0.431 0.000 -0.051) 0.434 6.588 ( 0.907 0.000 -0.019) 0.907 6.776 ( 1.884 0.000 0.373) 1.921 6.876 ( 0.683 0.000 0.293) 0.743 7.401 ( 2.465 0.000 0.769) 2.582 7.524 ( -0.597 0.000 0.669) 0.896 7.670 ( -2.805 0.000 0.945) 2.959 8.035 ( -0.793 0.000 -0.968) 1.251 8.359 ( -0.436 0.000 -0.193) 0.477 8.763 ( 6.886 0.000 -6.881) 9.735 8.813 ( -6.274 0.000 7.014) 9.411 9.050 ( 0.098 0.000 -0.708) 0.714 9.453 ( -1.731 0.000 0.692) 1.864 9.987 ( -0.128 0.000 0.638) 0.650 11.073 ( -0.328 0.000 -0.196) 0.382 11.250 ( -0.937 0.000 0.950) 1.335 11.348 ( -0.103 0.000 -0.878) 0.884 11.529 ( 0.855 0.000 -0.156) 0.869 11.818 ( -0.797 0.000 0.855) 1.169 12.091 ( -0.856 0.000 2.089) 2.257 12.302 ( 0.264 0.000 1.333) 1.359 12.434 ( 1.145 0.000 0.041) 1.146 12.552 ( -0.317 0.000 -2.346) 2.368 12.773 ( 0.627 0.000 1.230) 1.380 12.807 ( 5.548 0.000 -3.133) 6.371 12.938 ( -3.129 0.000 3.505) 4.699 13.516 ( 1.569 0.000 -2.626) 3.059 14.610 ( -1.553 0.000 1.041) 1.869 15.258 ( 3.432 0.000 0.365) 3.451 15.487 ( 0.483 0.000 0.599) 0.770 15.501 ( 4.207 0.000 8.155) 9.177 15.912 ( 0.104 0.000 0.133) 0.169 15.941 ( 0.591 0.000 2.154) 2.234 16.034 ( -1.926 0.000 2.620) 3.252 16.226 ( -8.233 0.000 -7.367) 11.047 16.293 ( 2.761 0.000 -3.774) 4.676 17.979 ( 1.095 0.000 -2.271) 2.521 18.098 ( -0.114 0.000 0.244) 0.269 18.110 ( 0.063 0.000 -0.078) 0.101 ======================= Grid point 9 (6/111) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 0.000 25.022 0.000) 25.022 0.645 ( 0.000 31.521 0.000) 31.521 0.882 ( 0.000 41.481 0.000) 41.481 1.832 ( 0.000 -7.306 0.000) 7.306 1.999 ( 0.000 -6.281 0.000) 6.281 2.027 ( 0.000 -1.575 0.000) 1.575 2.286 ( 0.000 -16.466 0.000) 16.466 2.393 ( 0.000 -6.652 0.000) 6.652 2.760 ( 0.000 -2.517 0.000) 2.517 2.794 ( 0.000 1.761 0.000) 1.761 3.005 ( 0.000 3.294 0.000) 3.294 3.018 ( 0.000 7.994 0.000) 7.994 3.128 ( 0.000 9.711 0.000) 9.711 3.403 ( 0.000 1.884 0.000) 1.884 3.506 ( 0.000 -3.462 0.000) 3.462 3.589 ( 0.000 -9.239 0.000) 9.239 3.709 ( 0.000 -1.511 0.000) 1.511 3.767 ( 0.000 -4.303 0.000) 4.303 3.878 ( 0.000 0.302 0.000) 0.302 3.974 ( 0.000 2.604 0.000) 2.604 4.016 ( 0.000 8.334 0.000) 8.334 4.316 ( 0.000 -1.021 0.000) 1.021 4.388 ( 0.000 -3.135 0.000) 3.135 4.590 ( 0.000 -11.644 0.000) 11.644 4.607 ( 0.000 2.884 0.000) 2.884 4.679 ( 0.000 4.032 0.000) 4.032 4.785 ( 0.000 -5.413 0.000) 5.413 4.911 ( 0.000 -3.776 0.000) 3.776 4.911 ( 0.000 5.731 0.000) 5.731 5.063 ( 0.000 3.323 0.000) 3.323 5.377 ( 0.000 -1.277 0.000) 1.277 5.579 ( 0.000 -11.262 0.000) 11.262 5.647 ( 0.000 1.726 0.000) 1.726 5.740 ( 0.000 3.927 0.000) 3.927 5.772 ( 0.000 -0.762 0.000) 0.762 5.882 ( 0.000 -1.081 0.000) 1.081 6.123 ( 0.000 1.509 0.000) 1.509 6.128 ( 0.000 2.705 0.000) 2.705 6.340 ( 0.000 -1.341 0.000) 1.341 6.384 ( 0.000 -2.568 0.000) 2.568 6.817 ( 0.000 6.153 0.000) 6.153 6.931 ( 0.000 0.676 0.000) 0.676 6.946 ( 0.000 0.558 0.000) 0.558 7.045 ( 0.000 -1.433 0.000) 1.433 7.647 ( 0.000 12.023 0.000) 12.023 8.224 ( 0.000 1.636 0.000) 1.636 8.414 ( 0.000 -2.740 0.000) 2.740 8.505 ( 0.000 -3.161 0.000) 3.161 8.591 ( 0.000 -8.604 0.000) 8.604 8.725 ( 0.000 -5.545 0.000) 5.545 9.191 ( 0.000 6.682 0.000) 6.682 9.501 ( 0.000 -0.602 0.000) 0.602 10.080 ( 0.000 10.551 0.000) 10.551 11.009 ( 0.000 -10.344 0.000) 10.344 11.356 ( 0.000 -0.698 0.000) 0.698 11.380 ( 0.000 -2.876 0.000) 2.876 11.554 ( 0.000 4.406 0.000) 4.406 11.890 ( 0.000 -3.437 0.000) 3.437 12.243 ( 0.000 2.605 0.000) 2.605 12.263 ( 0.000 0.389 0.000) 0.389 12.342 ( 0.000 -0.439 0.000) 0.439 12.388 ( 0.000 -0.536 0.000) 0.536 12.605 ( 0.000 5.181 0.000) 5.181 12.881 ( 0.000 -1.758 0.000) 1.758 12.987 ( 0.000 0.473 0.000) 0.473 13.033 ( 0.000 -0.459 0.000) 0.459 14.424 ( 0.000 2.346 0.000) 2.346 14.683 ( 0.000 -3.954 0.000) 3.954 15.232 ( 0.000 6.650 0.000) 6.650 15.419 ( 0.000 3.551 0.000) 3.551 15.625 ( 0.000 -1.224 0.000) 1.224 15.978 ( 0.000 -11.668 0.000) 11.668 16.122 ( 0.000 -0.185 0.000) 0.185 16.143 ( 0.000 -0.535 0.000) 0.535 17.191 ( 0.000 9.225 0.000) 9.225 17.733 ( 0.000 -4.897 0.000) 4.897 18.073 ( 0.000 0.717 0.000) 0.717 18.111 ( 0.000 -0.294 0.000) 0.294 ======================= Grid point 10 (7/111) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 18.242 15.850 4.476) 24.576 0.891 ( 17.293 22.158 13.082) 31.002 1.335 ( 32.011 25.831 17.603) 44.741 1.854 ( 1.250 -10.140 2.264) 10.465 1.985 ( -1.216 3.808 -1.747) 4.362 1.992 ( -0.701 -3.356 -0.931) 3.553 2.352 ( 2.884 1.269 -6.924) 7.608 2.384 ( 2.089 -13.570 9.517) 16.706 2.638 ( 0.066 4.036 -6.081) 7.299 2.795 ( -2.833 0.369 2.236) 3.628 2.957 ( -2.520 7.201 1.053) 7.702 3.050 ( 3.394 6.953 -0.305) 7.743 3.267 ( 9.631 7.648 7.625) 14.470 3.393 ( -0.282 3.149 -1.929) 3.704 3.508 ( -3.056 -2.869 0.617) 4.237 3.601 ( 1.542 -2.742 -1.488) 3.480 3.689 ( 1.259 -10.727 1.910) 10.968 3.709 ( -0.075 -0.058 0.371) 0.383 3.819 ( 0.477 -2.050 -1.263) 2.454 3.994 ( -2.429 3.357 4.547) 6.151 4.052 ( 6.433 6.493 -5.499) 10.667 4.254 ( -5.342 -1.242 0.577) 5.515 4.519 ( -4.362 -10.510 -5.576) 12.672 4.559 ( -1.986 -1.056 -1.435) 2.668 4.599 ( -2.974 -9.380 -2.930) 10.267 4.639 ( -1.704 2.306 2.020) 3.507 4.733 ( -5.300 1.995 -6.093) 8.318 4.823 ( -1.370 5.358 4.523) 7.145 4.993 ( 5.574 -2.669 -0.353) 6.190 5.086 ( 0.604 -0.916 3.267) 3.446 5.291 ( -5.015 -1.112 -2.927) 5.912 5.502 ( -6.913 -11.749 -0.931) 13.664 5.641 ( -2.199 0.931 0.407) 2.422 5.744 ( 0.488 1.015 -1.808) 2.130 5.830 ( -0.322 -2.283 -1.291) 2.642 5.883 ( -1.393 -7.077 6.476) 9.693 5.990 ( -5.877 4.747 1.138) 7.640 6.276 ( 5.605 0.402 3.001) 6.371 6.343 ( -2.478 -1.536 7.493) 8.041 6.460 ( 5.396 -0.815 1.789) 5.743 6.766 ( -6.087 4.441 4.674) 8.867 6.888 ( -3.794 0.009 -3.728) 5.319 6.971 ( 5.351 -0.402 -9.334) 10.767 7.088 ( 3.501 -0.999 1.983) 4.146 7.647 ( -0.017 11.057 -0.209) 11.059 8.200 ( -1.810 2.593 -1.590) 3.539 8.288 ( -13.940 13.345 -5.871) 20.172 8.402 ( -0.827 -2.724 -0.760) 2.946 8.552 ( 1.920 -10.596 -2.949) 11.165 8.726 ( -2.156 -6.365 3.183) 7.436 9.191 ( 0.548 7.331 -0.749) 7.390 9.547 ( 1.310 -1.595 1.755) 2.709 10.077 ( -2.305 9.164 2.034) 9.665 11.000 ( -1.077 -11.630 0.057) 11.680 11.266 ( 0.671 1.754 -3.626) 4.084 11.417 ( -2.204 -2.772 0.582) 3.589 11.634 ( 3.095 2.736 4.233) 5.915 11.895 ( -6.571 -0.114 5.171) 8.362 11.993 ( -16.583 10.636 8.891) 21.614 12.243 ( -0.949 1.063 2.106) 2.543 12.293 ( 2.958 2.251 0.264) 3.726 12.517 ( 4.551 -3.001 -0.063) 5.452 12.641 ( 0.772 4.516 3.481) 5.754 12.802 ( -0.539 5.523 -7.136) 9.040 12.891 ( -0.126 -1.680 2.007) 2.620 13.337 ( 19.336 -14.736 -16.254) 29.244 14.536 ( 7.527 2.445 7.725) 11.059 14.755 ( 0.091 0.090 5.150) 5.152 15.236 ( 0.339 5.637 0.914) 5.721 15.426 ( 0.916 2.253 0.677) 2.524 15.706 ( -0.514 -7.090 9.471) 11.842 15.966 ( -3.247 -10.103 3.476) 11.167 16.091 ( -7.549 3.075 5.705) 9.949 16.148 ( 4.732 -1.787 -3.571) 6.192 17.116 ( -3.752 10.653 -6.654) 13.109 17.818 ( 12.366 -12.938 -11.795) 21.434 18.075 ( 0.462 0.567 -0.232) 0.767 18.110 ( 0.189 -0.292 -0.405) 0.534 ======================= Grid point 11 (8/111) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 17.675 6.654 8.620) 20.761 1.351 ( 16.003 15.684 17.908) 28.684 1.790 ( -1.684 0.404 -4.590) 4.906 1.864 ( 5.738 1.169 1.586) 6.067 1.992 ( 3.122 5.933 3.081) 7.378 2.275 ( 29.389 2.356 12.780) 32.134 2.364 ( 3.309 10.152 1.673) 10.808 2.580 ( -3.459 4.793 1.396) 6.073 2.606 ( 13.139 -10.167 2.225) 16.762 2.797 ( 0.932 -0.841 1.007) 1.609 2.942 ( -2.296 6.264 1.806) 6.912 3.112 ( 4.095 5.020 -0.730) 6.519 3.336 ( -4.059 0.896 -0.996) 4.275 3.411 ( -3.241 0.178 -1.643) 3.638 3.482 ( 3.769 1.878 3.862) 5.714 3.680 ( 3.508 -5.005 1.242) 6.237 3.747 ( 0.252 -2.921 6.492) 7.124 3.786 ( 0.067 0.783 -2.762) 2.871 3.817 ( 10.278 -9.780 -3.271) 14.560 3.991 ( -2.142 0.302 0.813) 2.311 4.058 ( -2.041 -5.977 -0.986) 6.393 4.234 ( -0.424 5.037 7.382) 8.946 4.280 ( -5.608 -2.325 -14.149) 15.397 4.374 ( -7.013 -6.045 -5.285) 10.661 4.572 ( -0.929 1.728 -1.312) 2.360 4.586 ( -1.651 -0.277 -2.944) 3.387 4.671 ( -2.767 1.637 2.012) 3.793 4.839 ( -2.307 6.582 2.578) 7.435 5.050 ( 1.005 -4.824 -4.590) 6.734 5.120 ( 3.253 -1.112 4.591) 5.736 5.227 ( -4.255 -2.402 2.789) 5.626 5.403 ( -3.454 -9.899 1.382) 10.575 5.576 ( -4.513 0.273 -0.753) 4.584 5.662 ( -4.194 -0.815 -5.666) 7.097 5.756 ( -2.960 -2.055 -4.900) 6.083 5.896 ( -4.424 -8.234 4.330) 10.301 5.989 ( -1.389 6.999 6.248) 9.484 6.363 ( 1.340 -1.950 3.529) 4.248 6.423 ( 2.206 -1.493 3.920) 4.739 6.542 ( 1.738 -3.747 -0.490) 4.159 6.677 ( -6.563 2.722 -3.592) 7.962 6.759 ( -4.241 -1.951 -7.323) 8.684 6.923 ( 0.067 6.054 -2.864) 6.698 7.190 ( 4.781 -1.045 3.381) 5.948 7.642 ( 0.178 10.522 -0.703) 10.547 8.041 ( -11.508 14.936 -0.052) 18.855 8.155 ( -1.601 1.238 -2.779) 3.438 8.374 ( -1.166 -2.827 -1.082) 3.244 8.556 ( 3.734 -11.093 -5.307) 12.851 8.718 ( -4.715 -8.561 5.825) 11.378 9.194 ( 1.044 8.691 -1.162) 8.830 9.569 ( -0.281 1.085 1.302) 1.718 10.052 ( -2.988 8.155 2.108) 8.937 10.978 ( -1.491 -12.382 0.052) 12.471 11.266 ( 0.172 0.051 -0.105) 0.208 11.379 ( -0.625 -0.704 -2.081) 2.284 11.662 ( -0.644 8.365 -2.517) 8.759 11.816 ( -6.927 3.356 9.394) 12.144 11.984 ( -1.957 -2.557 6.111) 6.907 12.264 ( 0.101 0.145 3.105) 3.110 12.359 ( 3.948 3.159 0.596) 5.091 12.576 ( 2.744 -3.729 -1.424) 4.844 12.690 ( 0.850 2.794 2.468) 3.824 12.755 ( 3.913 6.648 -5.751) 9.622 12.918 ( -0.654 -1.059 3.884) 4.079 13.400 ( 9.018 -11.767 -12.098) 19.135 14.767 ( -3.755 6.447 4.130) 8.528 14.798 ( 10.871 1.595 10.740) 15.365 15.263 ( 0.118 2.391 3.096) 3.913 15.465 ( 2.269 3.198 1.395) 4.162 15.770 ( 0.510 -7.714 2.991) 8.289 15.955 ( -2.717 -7.913 3.996) 9.272 16.040 ( -6.241 3.908 5.923) 9.451 16.189 ( 4.306 -3.298 -3.277) 6.337 16.940 ( -5.851 12.782 -10.522) 17.559 17.852 ( 6.747 -13.781 -10.238) 18.446 18.084 ( 0.562 0.202 0.211) 0.633 18.109 ( 0.266 -0.231 -0.452) 0.573 ======================= Grid point 12 (9/111) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 10.665 0.847 6.619) 12.580 1.702 ( -0.480 -0.520 -3.911) 3.975 1.751 ( 8.154 15.711 15.841) 23.754 1.954 ( 6.618 3.672 -0.339) 7.577 2.122 ( 5.667 6.766 7.803) 11.780 2.396 ( -1.045 11.593 -1.113) 11.693 2.520 ( -0.158 7.709 -0.509) 7.728 2.740 ( 3.939 -3.978 2.255) 6.036 2.812 ( 3.300 2.471 -0.790) 4.197 2.953 ( 18.289 -1.548 1.618) 18.426 2.994 ( 10.648 0.407 5.951) 12.205 3.120 ( -2.108 1.587 -1.707) 3.143 3.282 ( -5.033 0.219 -2.508) 5.628 3.337 ( 0.188 0.691 2.966) 3.051 3.531 ( -0.453 -1.024 0.792) 1.371 3.603 ( -9.879 -5.067 -6.617) 12.925 3.737 ( -4.595 -0.118 -1.342) 4.789 3.767 ( -0.190 -7.877 0.512) 7.896 3.906 ( 4.642 0.626 4.678) 6.620 3.926 ( -0.370 -7.852 -6.047) 9.917 4.129 ( 3.850 -7.575 1.860) 8.698 4.206 ( 5.372 0.234 -7.610) 9.318 4.256 ( 1.284 -2.785 -0.275) 3.079 4.310 ( -0.871 1.875 6.447) 6.771 4.489 ( -0.878 2.939 -4.993) 5.860 4.618 ( -6.082 3.226 4.167) 8.048 4.706 ( 8.719 -2.395 3.128) 9.568 4.788 ( -1.181 -0.620 1.438) 1.961 5.093 ( 3.940 -0.100 1.624) 4.263 5.150 ( -5.187 -1.351 2.904) 6.096 5.246 ( 2.975 -0.428 6.031) 6.738 5.391 ( 0.086 -2.321 -1.203) 2.616 5.497 ( -3.821 0.132 -1.338) 4.050 5.544 ( -3.221 -5.839 -2.061) 6.980 5.652 ( -1.904 -1.936 -5.617) 6.239 5.855 ( -5.035 -7.431 3.790) 9.743 6.027 ( -2.033 9.687 4.605) 10.917 6.357 ( -8.881 -2.123 -7.307) 11.695 6.375 ( -10.528 -5.347 -5.383) 12.977 6.425 ( -1.616 -1.288 -2.002) 2.876 6.583 ( 0.638 2.328 -1.172) 2.684 6.689 ( 2.455 -2.322 -2.447) 4.172 6.941 ( 1.711 7.885 1.559) 8.217 7.301 ( 4.220 -1.774 2.772) 5.351 7.642 ( 0.851 10.647 -0.997) 10.727 7.882 ( -8.886 12.266 1.765) 15.249 8.102 ( -1.479 2.385 -2.081) 3.493 8.346 ( -0.999 -2.927 -0.681) 3.167 8.564 ( 5.455 -12.575 -7.069) 15.423 8.690 ( -6.991 -11.121 6.967) 14.870 9.200 ( 1.184 10.062 -1.131) 10.194 9.571 ( -1.044 4.195 1.171) 4.479 10.032 ( -1.789 6.739 1.632) 7.161 10.957 ( -1.074 -12.204 0.047) 12.251 11.258 ( -1.398 0.164 1.211) 1.857 11.354 ( 0.210 -1.097 -2.294) 2.552 11.628 ( -0.282 9.649 -1.070) 9.712 11.819 ( -2.788 0.301 4.305) 5.138 12.009 ( -1.694 -4.173 3.940) 5.984 12.310 ( 1.059 -0.535 3.524) 3.718 12.421 ( 2.594 3.404 0.034) 4.280 12.560 ( -0.555 -2.625 -3.330) 4.277 12.745 ( 4.960 1.983 -0.960) 5.427 12.792 ( 4.003 5.162 -1.710) 6.752 12.944 ( -2.177 0.091 5.004) 5.458 13.410 ( 4.864 -9.808 -6.882) 12.931 14.740 ( -3.817 8.780 3.112) 10.067 15.084 ( 9.894 -1.084 8.118) 12.844 15.305 ( -0.035 -1.147 4.915) 5.047 15.516 ( 0.440 2.662 2.602) 3.748 15.805 ( 4.703 -5.686 -3.609) 8.214 15.967 ( -0.193 -5.012 2.343) 5.536 16.009 ( -5.217 4.204 6.332) 9.219 16.213 ( 0.394 -3.624 0.289) 3.656 16.715 ( -5.840 16.056 -12.176) 20.980 17.841 ( 3.169 -14.035 -6.455) 15.769 18.094 ( 0.328 0.106 0.214) 0.406 18.109 ( 0.201 -0.138 -0.259) 0.355 ======================= Grid point 13 (10/111) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 4.207 0.403 1.320) 4.428 1.664 ( -2.329 4.385 -0.269) 4.973 1.942 ( 3.264 9.187 2.908) 10.175 2.111 ( 6.779 9.515 6.746) 13.490 2.282 ( -1.737 6.650 -0.173) 6.876 2.306 ( -0.366 6.773 -0.625) 6.812 2.584 ( 5.350 11.766 5.411) 14.012 2.743 ( -2.128 1.312 -2.114) 3.274 2.838 ( 0.852 5.183 -1.269) 5.404 3.023 ( 0.013 0.766 -4.645) 4.708 3.103 ( -2.935 -1.026 -3.341) 4.564 3.148 ( 3.385 -4.339 1.397) 5.678 3.254 ( 3.953 -3.188 1.314) 5.246 3.378 ( -5.353 -3.484 -3.055) 7.080 3.425 ( 0.487 4.657 3.248) 5.699 3.519 ( -0.209 -3.504 -0.528) 3.550 3.703 ( -1.982 -4.340 0.708) 4.823 3.790 ( 2.280 -9.597 2.085) 10.082 3.841 ( -1.723 -13.834 -3.790) 14.446 3.979 ( 0.387 -0.818 0.627) 1.100 4.173 ( 2.666 -4.837 -0.863) 5.590 4.242 ( 1.461 2.557 -0.938) 3.091 4.326 ( 6.282 2.615 -2.444) 7.230 4.355 ( -2.478 2.756 5.245) 6.423 4.448 ( 0.549 1.052 -1.672) 2.050 4.579 ( -2.872 1.208 3.323) 4.555 4.768 ( 4.353 -3.563 -0.533) 5.651 4.886 ( -1.917 -8.350 1.336) 8.671 5.095 ( 0.356 0.480 2.267) 2.344 5.242 ( 4.476 4.932 5.602) 8.703 5.332 ( 1.758 -2.180 -1.089) 3.005 5.392 ( 0.877 1.585 1.476) 2.337 5.433 ( -0.880 2.306 -1.584) 2.933 5.508 ( -1.283 -8.734 -0.023) 8.828 5.634 ( 5.189 -1.246 1.357) 5.506 5.836 ( -3.051 -6.561 3.931) 8.234 5.945 ( -9.027 2.742 -3.516) 10.068 6.046 ( -9.159 -0.611 -9.756) 13.396 6.185 ( -3.602 4.834 -1.696) 6.263 6.431 ( 0.284 -0.930 0.215) 0.995 6.591 ( 0.661 0.356 -0.526) 0.917 6.709 ( 1.083 -4.235 -0.413) 4.390 6.981 ( 1.022 7.971 0.760) 8.072 7.376 ( 1.846 -2.532 1.053) 3.306 7.648 ( 0.874 11.312 -0.758) 11.371 7.789 ( -4.002 10.530 1.251) 11.334 8.068 ( -0.636 3.137 -0.788) 3.296 8.329 ( -0.427 -2.869 -0.158) 2.905 8.591 ( 7.320 -13.642 -7.595) 17.245 8.640 ( -8.062 -13.032 7.352) 16.996 9.207 ( 0.559 10.825 -0.494) 10.851 9.565 ( -0.595 6.410 0.514) 6.458 10.026 ( -0.516 5.632 0.602) 5.687 10.945 ( -0.374 -12.015 0.022) 12.021 11.253 ( -0.502 0.568 0.687) 1.023 11.337 ( -0.052 -1.047 -0.801) 1.319 11.624 ( 0.240 8.589 -0.258) 8.596 11.813 ( -1.097 -0.280 1.083) 1.567 12.015 ( -0.796 -4.941 1.333) 5.179 12.370 ( 1.461 -2.346 3.244) 4.262 12.427 ( -0.584 3.444 -2.012) 4.031 12.527 ( 0.228 0.148 -1.461) 1.486 12.803 ( 1.178 2.042 0.982) 2.553 12.835 ( 4.087 2.275 -3.111) 5.618 12.949 ( -2.377 1.579 3.298) 4.361 13.415 ( 1.636 -8.872 -2.216) 9.290 14.717 ( -1.536 9.493 1.184) 9.689 15.245 ( 3.071 -1.144 1.042) 3.439 15.388 ( 2.925 -6.169 5.392) 8.700 15.510 ( -3.185 -3.222 0.676) 4.581 15.855 ( 5.467 -0.471 -4.018) 6.801 15.965 ( -2.397 0.368 1.894) 3.077 16.037 ( 1.739 1.736 2.841) 3.756 16.203 ( -3.509 -2.403 2.796) 5.090 16.525 ( -2.346 18.767 -7.636) 20.397 17.827 ( 0.913 -14.481 -2.223) 14.679 18.099 ( 0.094 0.149 0.075) 0.191 18.110 ( 0.066 -0.085 -0.073) 0.130 ======================= Grid point 18 (11/111) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 0.000 24.962 0.000) 24.962 1.257 ( 0.000 28.942 0.000) 28.942 1.441 ( 0.000 -10.286 0.000) 10.286 1.689 ( 0.000 15.419 0.000) 15.419 1.791 ( 0.000 -19.283 0.000) 19.283 1.970 ( 0.000 -5.013 0.000) 5.013 2.051 ( 0.000 0.379 0.000) 0.379 2.215 ( 0.000 -11.327 0.000) 11.327 2.778 ( 0.000 4.348 0.000) 4.348 2.850 ( 0.000 1.250 0.000) 1.250 3.026 ( 0.000 -0.981 0.000) 0.981 3.054 ( 0.000 -5.020 0.000) 5.020 3.307 ( 0.000 7.513 0.000) 7.513 3.401 ( 0.000 -2.473 0.000) 2.473 3.452 ( 0.000 1.990 0.000) 1.990 3.481 ( 0.000 -2.748 0.000) 2.748 3.664 ( 0.000 -2.006 0.000) 2.006 3.678 ( 0.000 -3.607 0.000) 3.607 3.917 ( 0.000 3.635 0.000) 3.635 3.989 ( 0.000 -2.072 0.000) 2.072 4.162 ( 0.000 5.827 0.000) 5.827 4.308 ( 0.000 -8.770 0.000) 8.770 4.383 ( 0.000 8.102 0.000) 8.102 4.456 ( 0.000 3.892 0.000) 3.892 4.590 ( 0.000 -5.057 0.000) 5.057 4.591 ( 0.000 -9.772 0.000) 9.772 4.789 ( 0.000 3.688 0.000) 3.688 4.849 ( 0.000 -2.384 0.000) 2.384 5.054 ( 0.000 7.175 0.000) 7.175 5.123 ( 0.000 1.546 0.000) 1.546 5.325 ( 0.000 -2.881 0.000) 2.881 5.361 ( 0.000 -8.269 0.000) 8.269 5.702 ( 0.000 2.964 0.000) 2.964 5.748 ( 0.000 -1.577 0.000) 1.577 5.802 ( 0.000 2.373 0.000) 2.373 5.848 ( 0.000 -2.158 0.000) 2.158 6.156 ( 0.000 1.420 0.000) 1.420 6.165 ( 0.000 0.768 0.000) 0.768 6.320 ( 0.000 -0.256 0.000) 0.256 6.336 ( 0.000 -1.827 0.000) 1.827 6.939 ( 0.000 5.097 0.000) 5.097 6.947 ( 0.000 0.736 0.000) 0.736 6.954 ( 0.000 0.118 0.000) 0.118 7.012 ( 0.000 -2.270 0.000) 2.270 7.942 ( 0.000 16.350 0.000) 16.350 8.272 ( 0.000 3.090 0.000) 3.090 8.272 ( 0.000 -15.718 0.000) 15.718 8.344 ( 0.000 -3.896 0.000) 3.896 8.552 ( 0.000 1.531 0.000) 1.531 8.615 ( 0.000 -4.658 0.000) 4.658 9.332 ( 0.000 6.772 0.000) 6.772 9.449 ( 0.000 -4.505 0.000) 4.505 10.368 ( 0.000 17.005 0.000) 17.005 10.721 ( 0.000 -17.047 0.000) 17.047 11.343 ( 0.000 -0.393 0.000) 0.393 11.345 ( 0.000 -0.752 0.000) 0.752 11.664 ( 0.000 6.253 0.000) 6.253 11.791 ( 0.000 -6.011 0.000) 6.011 12.280 ( 0.000 1.066 0.000) 1.066 12.288 ( 0.000 1.040 0.000) 1.040 12.337 ( 0.000 0.529 0.000) 0.529 12.366 ( 0.000 -1.623 0.000) 1.623 12.725 ( 0.000 5.928 0.000) 5.928 12.825 ( 0.000 -3.888 0.000) 3.888 13.001 ( 0.000 0.860 0.000) 0.860 13.019 ( 0.000 -0.887 0.000) 0.887 14.492 ( 0.000 4.219 0.000) 4.219 14.587 ( 0.000 -5.085 0.000) 5.085 15.420 ( 0.000 11.388 0.000) 11.388 15.499 ( 0.000 3.751 0.000) 3.751 15.587 ( 0.000 -2.312 0.000) 2.312 15.706 ( 0.000 -13.940 0.000) 13.940 16.121 ( 0.000 0.169 0.000) 0.169 16.130 ( 0.000 -0.631 0.000) 0.631 17.400 ( 0.000 10.622 0.000) 10.622 17.596 ( 0.000 -8.545 0.000) 8.545 18.089 ( 0.000 0.749 0.000) 0.749 18.102 ( 0.000 -0.550 0.000) 0.550 ======================= Grid point 19 (12/111) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 8.928 19.357 0.325) 21.320 1.379 ( 11.642 22.193 3.539) 25.309 1.501 ( 3.055 -15.670 2.646) 16.183 1.834 ( 8.260 -13.543 3.086) 16.160 1.924 ( 12.962 18.851 13.456) 26.542 2.051 ( 7.705 2.776 -0.210) 8.193 2.105 ( 3.684 -5.309 6.420) 9.109 2.304 ( 9.049 -8.707 2.577) 12.819 2.740 ( -0.164 6.452 -4.576) 7.912 2.826 ( -2.758 0.434 0.305) 2.809 3.032 ( -0.322 1.597 3.049) 3.457 3.126 ( 3.758 -5.225 4.874) 8.073 3.343 ( 1.551 4.050 2.832) 5.180 3.447 ( 5.281 -0.825 -3.458) 6.366 3.467 ( 0.437 -3.146 -0.356) 3.196 3.493 ( 4.393 -0.100 1.247) 4.568 3.608 ( -6.811 1.966 -2.778) 7.614 3.674 ( 0.208 -2.901 1.631) 3.335 3.833 ( -4.409 3.797 -0.103) 5.820 3.961 ( -7.228 -6.690 5.175) 11.126 4.186 ( 3.931 6.592 -9.588) 12.282 4.313 ( 1.766 -5.728 -7.680) 9.742 4.330 ( -2.323 4.357 0.009) 4.938 4.441 ( -5.735 -5.570 -3.196) 8.609 4.530 ( -1.259 0.313 4.956) 5.123 4.614 ( -0.752 -5.172 3.320) 6.192 4.803 ( 0.223 5.011 -1.772) 5.320 4.899 ( 4.119 -3.823 -0.733) 5.667 4.989 ( -2.624 7.682 -1.782) 8.311 5.106 ( -2.200 0.144 2.295) 3.182 5.235 ( -5.775 -3.612 -4.899) 8.390 5.281 ( -7.451 -7.630 0.086) 10.665 5.685 ( -1.534 3.442 -1.638) 4.109 5.765 ( 0.084 -4.126 -1.473) 4.382 5.781 ( -1.771 1.751 -2.108) 3.262 5.812 ( -2.597 -1.585 -1.846) 3.559 6.093 ( -3.215 5.474 4.110) 7.563 6.208 ( -1.702 -5.682 6.494) 8.795 6.360 ( 4.292 2.846 1.260) 5.302 6.420 ( 4.925 -2.763 0.947) 5.726 6.855 ( -7.547 3.107 2.114) 8.431 6.888 ( -5.477 -0.462 -2.111) 5.888 7.007 ( 4.861 3.033 -2.908) 6.425 7.061 ( 4.018 -1.928 0.917) 4.550 7.932 ( 0.467 15.904 -2.348) 16.083 8.211 ( -0.877 -5.382 -4.017) 6.772 8.311 ( 0.757 -7.026 -0.109) 7.068 8.336 ( -1.131 -4.013 0.156) 4.172 8.468 ( -7.623 6.269 -0.948) 9.915 8.591 ( -3.599 -6.434 1.281) 7.483 9.345 ( 1.834 7.437 -0.594) 7.683 9.476 ( 2.609 -5.291 0.074) 5.900 10.351 ( -2.691 16.695 1.248) 16.957 10.701 ( -2.450 -17.079 0.697) 17.268 11.312 ( 1.047 2.326 -3.711) 4.503 11.360 ( 0.851 -2.585 -1.876) 3.305 11.710 ( 1.249 4.680 4.805) 6.823 11.814 ( -0.705 -5.286 4.412) 6.921 12.177 ( -11.639 5.866 3.006) 13.376 12.242 ( -3.617 -1.210 1.878) 4.251 12.360 ( 3.346 3.915 1.100) 5.266 12.444 ( 3.533 -4.177 1.096) 5.580 12.740 ( -0.032 5.052 2.263) 5.536 12.832 ( -0.352 -3.820 1.967) 4.311 12.937 ( 2.184 7.245 -6.635) 10.064 13.099 ( 9.432 -9.291 -8.224) 15.586 14.605 ( 6.669 4.274 8.578) 11.676 14.698 ( 4.741 -4.550 8.884) 11.050 15.407 ( -0.910 10.302 -1.677) 10.477 15.503 ( 0.129 4.133 1.711) 4.475 15.600 ( -0.431 -3.896 2.632) 4.722 15.716 ( 0.884 -12.736 1.192) 12.822 16.119 ( -3.105 0.464 3.192) 4.477 16.127 ( -0.333 -0.528 1.393) 1.527 17.350 ( -1.039 11.905 -7.093) 13.897 17.582 ( 3.518 -11.214 -8.015) 14.225 18.089 ( 0.343 0.715 -0.453) 0.913 18.101 ( 0.244 -0.547 -0.437) 0.741 ======================= Grid point 20 (13/111) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 10.622 9.733 2.660) 14.651 1.512 ( 3.582 -11.794 -0.881) 12.357 1.734 ( 13.640 15.967 11.302) 23.848 2.015 ( 6.430 -6.269 7.318) 11.584 2.123 ( 3.420 9.308 4.799) 11.017 2.289 ( 9.253 -7.830 8.999) 15.096 2.461 ( 25.309 7.516 7.767) 27.520 2.527 ( 12.916 3.669 2.988) 13.756 2.708 ( 1.626 5.506 -2.190) 6.144 2.794 ( -0.570 -0.967 0.588) 1.267 3.069 ( -0.470 7.175 2.423) 7.588 3.227 ( 0.376 2.065 4.358) 4.837 3.369 ( -3.265 0.777 -1.799) 3.808 3.420 ( -3.116 -1.178 -0.187) 3.336 3.437 ( -1.049 -5.658 -5.766) 8.146 3.482 ( -0.329 -6.552 -0.461) 6.576 3.675 ( 10.868 -0.203 0.662) 10.890 3.738 ( 4.505 -1.127 2.580) 5.313 3.782 ( -1.352 -0.830 -3.948) 4.255 3.863 ( -7.457 -8.995 3.586) 12.223 4.075 ( -5.565 5.669 -3.669) 8.750 4.192 ( -3.138 -5.328 -9.716) 11.517 4.292 ( -4.209 0.258 -1.356) 4.429 4.318 ( 0.268 -0.658 -4.081) 4.142 4.583 ( 0.200 3.348 6.852) 7.629 4.642 ( -5.509 0.346 6.084) 8.215 4.730 ( -0.336 5.357 -6.308) 8.282 4.884 ( -2.683 -8.037 -6.575) 10.724 5.010 ( 1.140 7.333 5.267) 9.100 5.110 ( 1.633 1.024 -0.028) 1.927 5.156 ( -3.685 -5.046 4.372) 7.626 5.197 ( 0.167 -8.529 2.095) 8.784 5.610 ( -4.256 3.091 -2.607) 5.871 5.667 ( -4.790 -0.489 -4.799) 6.798 5.723 ( -3.453 -1.037 -4.581) 5.830 5.742 ( -2.094 -4.865 -1.507) 5.506 6.142 ( -0.007 7.023 7.242) 10.088 6.273 ( -0.533 -6.021 7.668) 9.764 6.422 ( 1.330 1.594 -0.687) 2.186 6.472 ( 0.232 -3.112 -1.392) 3.417 6.725 ( -6.457 1.663 -3.867) 7.708 6.744 ( -5.857 -0.380 -5.512) 8.052 7.053 ( 2.482 6.102 0.846) 6.641 7.149 ( 3.803 -3.279 2.839) 5.769 7.916 ( 1.632 15.322 -3.530) 15.807 8.166 ( 0.379 -3.588 -3.489) 5.019 8.269 ( -6.151 0.482 -1.539) 6.359 8.298 ( -1.759 -3.264 -1.665) 4.065 8.358 ( -3.721 1.491 0.574) 4.050 8.530 ( -6.464 -9.620 3.152) 12.011 9.374 ( 2.362 8.571 -0.785) 8.926 9.521 ( 2.469 -5.521 0.063) 6.049 10.315 ( -3.345 16.619 1.696) 17.037 10.668 ( -2.510 -17.427 1.079) 17.640 11.294 ( 0.281 2.201 -1.976) 2.971 11.342 ( 0.341 -2.369 -2.753) 3.648 11.773 ( 1.136 3.648 2.470) 4.550 11.842 ( -2.444 -2.773 5.038) 6.249 12.048 ( -7.626 8.943 3.437) 12.245 12.210 ( -3.010 -5.761 2.269) 6.884 12.434 ( 3.731 3.588 1.314) 5.341 12.501 ( 2.487 -3.412 0.398) 4.241 12.766 ( 1.188 4.667 0.985) 4.916 12.848 ( 0.264 -2.025 0.847) 2.211 12.944 ( 4.528 7.836 -3.142) 9.580 13.150 ( 7.420 -11.897 -7.665) 15.979 14.836 ( 6.906 1.906 10.982) 13.112 14.852 ( 1.260 1.208 8.946) 9.115 15.363 ( -2.523 7.641 -0.307) 8.052 15.513 ( -2.370 -3.145 1.414) 4.184 15.650 ( 6.522 0.291 -0.933) 6.595 15.773 ( 3.952 -8.724 1.884) 9.761 16.101 ( -4.786 2.166 5.716) 7.763 16.139 ( -1.605 -1.905 3.588) 4.368 17.228 ( -1.637 15.137 -10.870) 18.708 17.541 ( 3.282 -15.921 -10.018) 19.094 18.092 ( 0.531 0.507 -0.236) 0.771 18.102 ( 0.381 -0.436 -0.393) 0.700 ======================= Grid point 21 (14/111) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 7.365 2.600 3.629) 8.612 1.570 ( 4.146 -7.183 0.192) 8.295 2.059 ( 10.924 10.612 8.833) 17.606 2.197 ( 6.180 -1.429 6.116) 8.811 2.241 ( 2.464 18.085 8.130) 19.980 2.513 ( 2.806 -8.284 10.128) 13.382 2.678 ( 8.045 10.434 -2.190) 13.356 2.752 ( 9.081 9.770 -3.835) 13.879 2.851 ( 3.932 -1.647 4.426) 6.145 2.928 ( 13.519 -3.305 3.016) 14.240 3.013 ( -2.358 5.681 -0.843) 6.208 3.203 ( -4.636 1.985 -0.560) 5.074 3.259 ( -2.596 -1.010 -6.893) 7.435 3.360 ( -2.078 2.377 1.110) 3.347 3.425 ( -0.703 -8.841 -1.796) 9.049 3.488 ( 0.300 -11.298 0.607) 11.318 3.572 ( -7.549 0.666 -6.974) 10.299 3.697 ( -2.136 -9.151 -8.100) 12.407 3.835 ( -3.924 3.096 -0.528) 5.027 3.901 ( 2.226 -1.947 3.605) 4.663 4.047 ( 5.251 2.148 3.093) 6.461 4.150 ( 6.415 -5.962 -0.039) 8.757 4.250 ( 2.163 2.067 -1.207) 3.226 4.304 ( 0.275 -2.573 0.764) 2.698 4.572 ( -3.604 5.015 -1.150) 6.282 4.656 ( -3.393 -1.616 4.414) 5.797 4.696 ( 1.149 1.957 2.427) 3.323 4.743 ( -5.604 -2.696 -2.654) 6.761 5.110 ( 2.056 1.245 0.487) 2.452 5.133 ( 2.864 -0.300 5.886) 6.553 5.221 ( 4.460 -0.362 4.326) 6.224 5.288 ( 2.838 -5.713 6.132) 8.848 5.508 ( -4.039 2.976 -2.605) 5.653 5.542 ( -3.723 0.573 -4.166) 5.617 5.622 ( -1.965 -0.308 -4.485) 4.906 5.690 ( -1.990 -7.184 -0.836) 7.501 6.187 ( -4.322 5.887 2.373) 7.679 6.277 ( -9.305 -3.897 -2.637) 10.427 6.347 ( -5.869 0.761 -2.981) 6.626 6.385 ( -2.293 -2.453 0.273) 3.369 6.622 ( -0.346 1.487 -3.334) 3.667 6.648 ( 0.616 -1.418 -3.678) 3.990 7.109 ( 2.086 7.846 1.961) 8.352 7.237 ( 3.016 -4.761 2.584) 6.200 7.915 ( 3.108 15.352 -3.853) 16.131 8.131 ( -7.490 10.084 1.689) 12.675 8.155 ( -0.128 -0.275 -2.015) 2.038 8.258 ( 0.073 -6.349 -2.591) 6.858 8.313 ( -1.147 -6.621 -2.172) 7.062 8.448 ( -8.218 -12.131 4.347) 15.284 9.402 ( 1.892 9.410 -0.618) 9.618 9.557 ( 1.672 -5.189 0.153) 5.454 10.283 ( -2.408 16.824 1.406) 17.053 10.644 ( -1.647 -17.801 0.879) 17.898 11.279 ( -0.445 1.740 -0.247) 1.813 11.320 ( -0.065 -2.051 -1.569) 2.583 11.798 ( 1.042 4.224 -0.772) 4.419 11.839 ( -3.720 0.404 4.185) 5.614 11.992 ( -3.288 6.122 2.251) 7.304 12.191 ( -1.755 -9.895 1.507) 10.162 12.502 ( 2.816 3.157 0.921) 4.329 12.535 ( 1.992 -0.527 -0.773) 2.201 12.802 ( 2.568 3.632 -0.289) 4.457 12.859 ( 0.364 -0.681 0.122) 0.782 12.995 ( 2.807 6.829 0.372) 7.393 13.187 ( 4.785 -11.231 -4.356) 12.961 14.923 ( -1.823 8.136 6.203) 10.392 15.041 ( 4.054 -3.610 9.056) 10.558 15.330 ( -1.647 4.182 0.693) 4.548 15.462 ( -3.695 -7.387 -0.428) 8.271 15.783 ( 11.379 3.666 -3.808) 12.546 15.875 ( 7.046 -4.567 -0.880) 8.443 16.085 ( -5.779 3.340 7.680) 10.176 16.147 ( -3.919 -3.035 6.361) 8.065 17.078 ( -2.029 19.549 -10.452) 22.261 17.483 ( 1.572 -20.054 -7.695) 21.537 18.099 ( 0.401 0.301 -0.071) 0.506 18.105 ( 0.300 -0.272 -0.200) 0.451 ======================= Grid point 22 (15/111) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 2.624 0.572 1.662) 3.159 1.633 ( 1.948 -4.144 0.569) 4.614 2.238 ( 3.823 8.827 0.349) 9.626 2.306 ( 2.424 2.678 2.682) 4.499 2.405 ( 4.493 14.372 9.445) 17.775 2.553 ( -4.251 6.835 -0.312) 8.055 2.725 ( -1.524 8.133 -0.830) 8.316 2.881 ( 11.727 9.841 4.188) 15.872 2.961 ( 1.285 7.013 3.735) 8.049 3.021 ( -1.779 -7.227 -2.690) 7.914 3.057 ( 7.160 -4.707 -0.626) 8.591 3.128 ( -6.636 0.090 2.138) 6.973 3.146 ( 1.113 0.967 -10.358) 10.462 3.292 ( -4.653 -3.622 -3.751) 6.988 3.361 ( 0.327 -7.818 0.060) 7.825 3.461 ( -3.601 -13.876 -0.086) 14.336 3.500 ( -1.846 -2.232 -1.478) 3.251 3.598 ( 0.659 -9.463 -1.685) 9.634 3.767 ( -2.022 8.662 -0.057) 8.895 3.922 ( -0.172 -5.246 0.153) 5.251 4.155 ( 3.566 3.370 -0.066) 4.907 4.262 ( 3.455 -3.727 -1.653) 5.344 4.321 ( 4.222 -0.321 1.947) 4.660 4.349 ( 0.119 -1.621 5.059) 5.313 4.524 ( -0.659 5.870 -1.064) 6.002 4.629 ( -1.818 1.774 0.749) 2.648 4.666 ( -1.130 -4.625 -0.299) 4.771 4.732 ( -0.979 -5.847 1.170) 6.043 5.141 ( 0.770 4.114 1.318) 4.388 5.243 ( 1.904 -5.019 2.437) 5.895 5.343 ( 3.983 3.084 3.287) 6.015 5.394 ( 1.941 -2.503 2.868) 4.273 5.440 ( -1.314 2.788 -0.939) 3.222 5.472 ( -0.777 0.681 -1.595) 1.901 5.614 ( 4.977 0.151 1.469) 5.192 5.689 ( 1.585 -6.803 2.098) 7.293 5.970 ( -11.980 1.136 -6.802) 13.824 6.005 ( -10.693 -2.307 -7.232) 13.113 6.315 ( -0.421 5.880 1.694) 6.134 6.398 ( 0.007 -2.571 1.329) 2.894 6.605 ( 0.494 1.043 -1.342) 1.770 6.639 ( 0.778 -2.544 -1.316) 2.968 7.152 ( 0.931 8.284 0.885) 8.383 7.295 ( 1.239 -5.621 1.030) 5.848 7.933 ( 3.005 15.829 -2.761) 16.346 8.036 ( -5.079 12.488 2.132) 13.649 8.149 ( -0.044 4.221 -0.202) 4.226 8.250 ( -0.126 -4.934 -0.008) 4.935 8.291 ( 4.634 -14.572 -5.647) 16.300 8.359 ( -7.953 -13.816 4.805) 16.650 9.420 ( 0.731 9.822 -0.240) 9.852 9.577 ( 0.596 -4.880 0.081) 4.917 10.266 ( -0.864 16.944 0.536) 16.975 10.632 ( -0.575 -18.001 0.326) 18.013 11.275 ( -0.159 1.519 0.200) 1.541 11.309 ( -0.038 -1.674 -0.369) 1.715 11.802 ( 1.198 4.901 -1.617) 5.299 11.819 ( -2.572 1.145 2.422) 3.714 11.974 ( -0.973 4.355 0.715) 4.519 12.183 ( -0.521 -12.120 0.454) 12.140 12.538 ( 0.564 3.778 0.383) 3.839 12.556 ( 1.339 1.320 -0.602) 1.974 12.837 ( 1.478 1.560 -0.040) 2.149 12.861 ( -0.094 -0.311 -0.164) 0.364 13.032 ( 0.857 6.878 0.529) 6.951 13.211 ( 1.687 -10.356 -1.334) 10.577 14.941 ( -1.118 11.783 2.211) 12.041 15.159 ( 1.444 -8.856 3.978) 9.816 15.321 ( -0.517 1.301 0.823) 1.624 15.401 ( -1.861 -5.794 -1.323) 6.228 15.905 ( 7.471 3.713 -4.160) 9.322 15.960 ( 3.610 -1.285 -1.476) 4.106 16.082 ( -2.326 2.583 4.595) 5.762 16.142 ( -4.274 -3.281 5.399) 7.628 16.962 ( -1.131 23.656 -4.800) 24.164 17.439 ( 0.345 -22.739 -2.906) 22.927 18.103 ( 0.139 0.207 -0.018) 0.250 18.107 ( 0.102 -0.175 -0.057) 0.211 ======================= Grid point 45 (16/111) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 1.022 0.000 28.988) 29.006 0.638 ( -0.752 0.000 30.908) 30.917 0.958 ( -2.364 0.000 45.381) 45.442 1.834 ( -3.594 0.000 -1.112) 3.762 1.970 ( 2.683 0.000 8.288) 8.712 2.033 ( 0.785 0.000 0.614) 0.997 2.361 ( -3.720 0.000 -12.005) 12.568 2.524 ( -2.189 0.000 -0.279) 2.206 2.613 ( -1.306 0.000 6.160) 6.297 2.809 ( 2.074 0.000 -0.426) 2.117 2.907 ( -2.965 0.000 6.536) 7.177 2.918 ( 4.679 0.000 5.968) 7.584 3.151 ( 2.153 0.000 12.431) 12.616 3.372 ( -3.252 0.000 -1.051) 3.418 3.536 ( 0.117 0.000 -0.442) 0.458 3.564 ( 7.725 0.000 -6.010) 9.788 3.627 ( -3.025 0.000 -2.036) 3.646 3.734 ( 7.119 0.000 -4.596) 8.474 3.902 ( -2.245 0.000 2.877) 3.650 3.928 ( 3.788 0.000 5.460) 6.645 4.041 ( -9.072 0.000 0.477) 9.085 4.283 ( 2.058 0.000 -4.552) 4.996 4.583 ( -1.747 0.000 3.192) 3.639 4.620 ( 1.459 0.000 1.118) 1.838 4.649 ( 1.806 0.000 -7.177) 7.401 4.679 ( -4.031 0.000 -12.528) 13.160 4.768 ( -9.590 0.000 -5.067) 10.846 4.915 ( 12.888 0.000 1.045) 12.931 4.950 ( -5.672 0.000 2.080) 6.042 5.033 ( 3.596 0.000 -1.411) 3.863 5.380 ( -5.568 0.000 0.283) 5.575 5.600 ( 2.001 0.000 -3.209) 3.782 5.658 ( -0.076 0.000 -2.230) 2.232 5.798 ( -0.069 0.000 -0.807) 0.810 5.825 ( 3.176 0.000 -1.961) 3.733 6.035 ( -4.965 0.000 -3.022) 5.812 6.135 ( 4.996 0.000 4.616) 6.802 6.211 ( 4.382 0.000 1.724) 4.709 6.214 ( 21.131 0.000 -1.117) 21.161 6.406 ( 5.578 0.000 2.696) 6.195 6.738 ( 3.522 0.000 -0.754) 3.602 6.890 ( -3.250 0.000 -3.775) 4.981 7.035 ( 3.776 0.000 -2.601) 4.585 7.060 ( -19.559 0.000 1.984) 19.660 7.770 ( -5.302 0.000 0.151) 5.305 7.985 ( -1.410 0.000 3.769) 4.024 8.210 ( -4.807 0.000 -0.948) 4.900 8.421 ( 0.167 0.000 -2.202) 2.208 8.552 ( 3.516 0.000 -7.282) 8.087 8.914 ( -2.946 0.000 8.384) 8.886 9.036 ( 3.276 0.000 -6.320) 7.119 9.564 ( 3.163 0.000 0.571) 3.214 10.062 ( -0.628 0.000 4.164) 4.212 11.058 ( 2.962 0.000 -4.229) 5.164 11.248 ( 0.811 0.000 -2.108) 2.258 11.494 ( -0.462 0.000 -0.706) 0.844 11.599 ( -2.012 0.000 -3.031) 3.638 12.036 ( 0.298 0.000 7.905) 7.910 12.153 ( 12.679 0.000 -4.801) 13.558 12.300 ( -1.452 0.000 3.587) 3.870 12.331 ( 27.889 0.000 2.142) 27.971 12.545 ( -1.816 0.000 1.549) 2.387 12.578 ( 2.225 0.000 2.645) 3.457 12.747 ( -24.635 0.000 -0.450) 24.639 12.916 ( 1.186 0.000 1.504) 1.915 13.026 ( -22.259 0.000 -2.563) 22.407 14.465 ( 5.417 0.000 5.901) 8.010 14.797 ( -2.102 0.000 6.412) 6.747 15.102 ( 2.080 0.000 -5.173) 5.575 15.414 ( 1.771 0.000 0.270) 1.792 15.787 ( 7.542 0.000 -11.698) 13.919 16.014 ( 34.239 0.000 4.334) 34.512 16.028 ( -1.433 0.000 3.031) 3.353 16.365 ( -10.966 0.000 12.260) 16.448 16.976 ( -3.527 0.000 -7.689) 8.459 17.836 ( -19.878 0.000 -3.004) 20.104 18.068 ( -0.255 0.000 0.337) 0.422 18.118 ( -0.704 0.000 0.353) 0.788 ======================= Grid point 46 (17/111) ======================= q-point: ( 0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 7.407 0.000 27.590) 28.567 1.075 ( 15.317 0.000 25.030) 29.344 1.565 ( 18.001 0.000 26.318) 31.886 1.727 ( -3.265 0.000 -5.604) 6.486 2.120 ( 5.791 0.000 3.012) 6.528 2.135 ( -5.411 0.000 -9.043) 10.538 2.178 ( 7.225 0.000 16.404) 17.925 2.474 ( -0.677 0.000 -3.563) 3.626 2.725 ( 2.621 0.000 10.597) 10.917 2.868 ( 2.334 0.000 3.470) 4.182 2.890 ( -5.018 0.000 2.674) 5.686 3.039 ( 0.551 0.000 7.268) 7.288 3.305 ( 0.468 0.000 -3.389) 3.421 3.397 ( 6.852 0.000 10.666) 12.677 3.512 ( -3.170 0.000 -6.760) 7.467 3.568 ( 5.998 0.000 -3.330) 6.860 3.688 ( 6.827 0.000 2.750) 7.359 3.821 ( 10.734 0.000 -4.833) 11.772 3.887 ( -2.038 0.000 1.426) 2.487 3.969 ( -4.211 0.000 3.732) 5.627 4.015 ( 1.246 0.000 1.720) 2.124 4.239 ( -3.251 0.000 -7.069) 7.781 4.422 ( -12.656 0.000 -5.652) 13.861 4.516 ( -2.646 0.000 -8.848) 9.235 4.531 ( -4.498 0.000 -5.248) 6.912 4.601 ( 0.010 0.000 2.525) 2.526 4.695 ( 1.743 0.000 -0.949) 1.984 4.855 ( -9.302 0.000 5.131) 10.623 5.014 ( 1.191 0.000 -6.866) 6.969 5.101 ( 8.179 0.000 1.721) 8.358 5.312 ( -2.454 0.000 0.773) 2.573 5.516 ( -4.014 0.000 -9.035) 9.886 5.632 ( -1.770 0.000 0.374) 1.810 5.738 ( -1.128 0.000 -7.575) 7.659 5.849 ( -1.825 0.000 4.471) 4.829 5.923 ( -6.123 0.000 2.125) 6.481 6.256 ( -3.566 0.000 -5.180) 6.289 6.284 ( 6.603 0.000 1.020) 6.681 6.367 ( 7.706 0.000 5.968) 9.746 6.516 ( 5.328 0.000 0.436) 5.346 6.723 ( -6.618 0.000 -4.871) 8.217 6.765 ( -3.556 0.000 -8.021) 8.774 6.866 ( -5.983 0.000 2.551) 6.504 7.112 ( 6.681 0.000 0.138) 6.682 7.677 ( -6.880 0.000 3.779) 7.849 7.968 ( -5.801 0.000 4.441) 7.305 8.148 ( -2.121 0.000 -1.900) 2.847 8.396 ( 0.202 0.000 -2.637) 2.644 8.540 ( 4.141 0.000 -6.804) 7.965 8.958 ( -2.988 0.000 8.507) 9.017 9.012 ( 2.555 0.000 -7.115) 7.560 9.595 ( -0.026 0.000 1.401) 1.401 10.067 ( -3.660 0.000 4.330) 5.670 11.065 ( 2.841 0.000 -4.524) 5.342 11.259 ( 3.042 0.000 -1.098) 3.234 11.447 ( -4.080 0.000 -1.141) 4.237 11.538 ( -2.016 0.000 -1.801) 2.703 12.114 ( -0.596 0.000 6.475) 6.502 12.150 ( -25.356 0.000 13.360) 28.661 12.212 ( 3.484 0.000 -2.451) 4.260 12.321 ( -0.165 0.000 3.522) 3.526 12.559 ( 1.212 0.000 0.976) 1.556 12.569 ( 3.426 0.000 -2.659) 4.337 12.704 ( -0.560 0.000 3.004) 3.056 12.961 ( 1.391 0.000 2.913) 3.228 13.149 ( 19.589 0.000 -11.566) 22.749 14.687 ( 10.438 0.000 8.841) 13.679 14.800 ( -5.204 0.000 5.444) 7.531 15.134 ( 7.202 0.000 -4.489) 8.486 15.447 ( 0.524 0.000 2.252) 2.312 15.801 ( 10.264 0.000 -13.380) 16.864 16.012 ( -2.730 0.000 0.979) 2.901 16.251 ( -4.713 0.000 8.794) 9.977 16.357 ( -8.225 0.000 15.412) 17.469 16.793 ( -5.655 0.000 -11.735) 13.027 17.726 ( 6.827 0.000 -9.081) 11.361 18.079 ( 0.776 0.000 0.374) 0.861 18.111 ( -0.381 0.000 0.229) 0.445 ======================= Grid point 47 (18/111) ======================= q-point: ( 0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 2.711 0.000 17.424) 17.634 1.564 ( 11.257 0.000 21.351) 24.137 1.676 ( 4.545 0.000 0.571) 4.580 1.908 ( 2.637 0.000 0.973) 2.811 2.002 ( 3.900 0.000 -0.718) 3.966 2.228 ( 3.291 0.000 0.026) 3.291 2.446 ( -0.189 0.000 0.176) 0.258 2.611 ( 15.289 0.000 15.393) 21.696 2.805 ( -4.504 0.000 -0.116) 4.506 2.911 ( 5.666 0.000 8.531) 10.241 2.952 ( -1.874 0.000 7.300) 7.537 3.102 ( 0.357 0.000 6.653) 6.663 3.315 ( 5.990 0.000 1.487) 6.172 3.361 ( -5.679 0.000 -7.143) 9.126 3.542 ( 0.784 0.000 2.419) 2.543 3.639 ( 6.984 0.000 -5.397) 8.826 3.835 ( 0.594 0.000 2.454) 2.524 3.858 ( -0.700 0.000 0.066) 0.703 3.871 ( -10.460 0.000 -7.993) 13.165 3.947 ( -0.078 0.000 3.777) 3.778 4.023 ( 13.346 0.000 -5.291) 14.357 4.072 ( 2.219 0.000 -6.252) 6.634 4.315 ( -1.940 0.000 -3.284) 3.814 4.408 ( -5.474 0.000 -0.777) 5.529 4.436 ( -1.022 0.000 -0.119) 1.029 4.673 ( 1.218 0.000 -4.830) 4.981 4.704 ( 6.684 0.000 8.455) 10.778 4.763 ( -8.424 0.000 5.633) 10.134 5.007 ( 4.402 0.000 -2.984) 5.318 5.244 ( 5.458 0.000 4.265) 6.927 5.283 ( -4.636 0.000 -0.944) 4.731 5.351 ( -0.504 0.000 -8.481) 8.496 5.558 ( -6.441 0.000 -0.762) 6.486 5.615 ( -2.218 0.000 -8.991) 9.261 5.861 ( -3.684 0.000 6.180) 7.195 5.896 ( -2.541 0.000 4.613) 5.266 6.125 ( -7.091 0.000 -0.725) 7.128 6.364 ( 3.974 0.000 -1.394) 4.211 6.489 ( -11.295 0.000 -9.065) 14.483 6.503 ( 3.782 0.000 -0.443) 3.808 6.542 ( -10.650 0.000 -10.966) 15.286 6.636 ( 6.616 0.000 4.261) 7.870 6.840 ( -0.325 0.000 -0.093) 0.338 7.236 ( 6.595 0.000 1.240) 6.710 7.624 ( -5.074 0.000 4.226) 6.604 7.898 ( -8.433 0.000 5.052) 9.831 8.091 ( -2.213 0.000 -1.632) 2.750 8.377 ( 0.194 0.000 -1.564) 1.576 8.543 ( 5.405 0.000 -7.233) 9.029 8.973 ( 2.842 0.000 -8.134) 8.616 8.990 ( -4.123 0.000 8.145) 9.129 9.599 ( -2.694 0.000 3.392) 4.331 10.046 ( -4.013 0.000 4.027) 5.685 11.049 ( 1.893 0.000 -5.167) 5.503 11.311 ( 3.050 0.000 -0.355) 3.070 11.355 ( -4.956 0.000 -0.735) 5.010 11.502 ( -0.654 0.000 -0.192) 0.681 11.979 ( -11.851 0.000 8.704) 14.704 12.150 ( -1.787 0.000 3.814) 4.212 12.244 ( 3.541 0.000 -2.871) 4.559 12.375 ( 1.709 0.000 3.472) 3.869 12.552 ( 0.218 0.000 -4.032) 4.037 12.593 ( 3.135 0.000 -1.143) 3.337 12.750 ( 0.616 0.000 4.477) 4.520 13.020 ( 0.382 0.000 4.892) 4.907 13.300 ( 12.252 0.000 -7.943) 14.601 14.746 ( -6.163 0.000 2.469) 6.639 14.947 ( 11.130 0.000 3.169) 11.573 15.251 ( 9.711 0.000 1.511) 9.828 15.477 ( -0.112 0.000 2.605) 2.607 15.828 ( 9.721 0.000 -13.064) 16.284 15.977 ( -1.777 0.000 0.224) 1.791 16.218 ( -13.057 0.000 14.756) 19.704 16.408 ( -7.588 0.000 17.835) 19.382 16.537 ( -7.603 0.000 -14.640) 16.497 17.758 ( 10.599 0.000 -12.811) 16.627 18.097 ( 0.611 0.000 0.508) 0.794 18.110 ( -0.143 0.000 0.349) 0.378 ======================= Grid point 48 (19/111) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -1.280 0.000 3.854) 4.061 1.771 ( -5.260 0.000 6.436) 8.312 1.892 ( 4.450 0.000 -3.736) 5.810 1.907 ( 8.503 0.000 12.429) 15.060 2.198 ( -3.972 0.000 -3.637) 5.386 2.250 ( 13.043 0.000 11.846) 17.620 2.454 ( -1.495 0.000 2.667) 3.057 2.762 ( -0.187 0.000 -0.460) 0.497 2.851 ( -10.036 0.000 -2.083) 10.250 2.856 ( 6.155 0.000 0.889) 6.219 3.081 ( 3.718 0.000 4.866) 6.124 3.196 ( -2.549 0.000 -6.853) 7.312 3.250 ( 2.901 0.000 8.557) 9.036 3.506 ( -0.207 0.000 8.902) 8.905 3.528 ( 0.875 0.000 -2.112) 2.286 3.535 ( -10.966 0.000 -5.133) 12.108 3.708 ( 7.415 0.000 0.762) 7.454 3.855 ( 1.283 0.000 -1.001) 1.628 3.946 ( 2.300 0.000 -0.255) 2.314 4.011 ( 6.460 0.000 -1.224) 6.574 4.061 ( 1.367 0.000 -2.808) 3.123 4.146 ( 6.887 0.000 -3.014) 7.518 4.240 ( 1.243 0.000 -6.441) 6.560 4.347 ( -2.894 0.000 2.517) 3.836 4.449 ( 0.471 0.000 1.864) 1.923 4.690 ( -6.947 0.000 4.138) 8.086 4.698 ( 5.485 0.000 -0.622) 5.520 4.993 ( 12.606 0.000 9.922) 16.042 5.045 ( 5.209 0.000 -6.833) 8.592 5.116 ( -7.682 0.000 -4.904) 9.114 5.348 ( 2.046 0.000 -0.380) 2.081 5.374 ( 2.967 0.000 5.350) 6.118 5.445 ( -5.001 0.000 -0.356) 5.014 5.512 ( 2.076 0.000 -5.828) 6.187 5.852 ( -5.858 0.000 5.814) 8.254 5.892 ( -2.939 0.000 1.994) 3.552 6.025 ( -5.115 0.000 1.685) 5.386 6.153 ( -15.706 0.000 -11.642) 19.550 6.235 ( -10.426 0.000 -8.385) 13.379 6.396 ( 2.560 0.000 -2.462) 3.552 6.541 ( 3.319 0.000 -1.642) 3.703 6.771 ( 2.860 0.000 4.882) 5.658 6.842 ( 1.683 0.000 -1.875) 2.519 7.339 ( 4.616 0.000 0.128) 4.618 7.592 ( -4.172 0.000 3.822) 5.658 7.808 ( -8.715 0.000 5.198) 10.148 8.048 ( -1.542 0.000 -0.217) 1.557 8.366 ( -0.352 0.000 -0.284) 0.453 8.567 ( 7.164 0.000 -7.665) 10.492 8.939 ( 4.339 0.000 -8.904) 9.905 8.992 ( -5.844 0.000 7.608) 9.593 9.579 ( -5.198 0.000 5.236) 7.378 10.025 ( -2.986 0.000 2.819) 4.107 11.027 ( 2.368 0.000 -5.233) 5.744 11.280 ( -2.717 0.000 -1.410) 3.061 11.334 ( 0.695 0.000 -0.579) 0.905 11.515 ( 1.150 0.000 1.107) 1.596 11.899 ( -6.704 0.000 4.328) 7.979 12.135 ( -2.692 0.000 0.402) 2.722 12.263 ( 2.994 0.000 -4.056) 5.041 12.436 ( 0.849 0.000 3.568) 3.668 12.526 ( 0.776 0.000 -1.509) 1.697 12.647 ( 6.216 0.000 -3.169) 6.977 12.793 ( -0.379 0.000 2.594) 2.621 13.065 ( -2.820 0.000 6.438) 7.029 13.407 ( 8.108 0.000 -3.001) 8.646 14.663 ( -4.598 0.000 -0.684) 4.648 15.091 ( 8.979 0.000 -6.255) 10.943 15.478 ( 9.047 0.000 7.527) 11.768 15.496 ( -0.251 0.000 1.382) 1.404 15.835 ( 7.697 0.000 -12.389) 14.585 15.962 ( -1.209 0.000 1.515) 1.939 16.147 ( -12.646 0.000 11.437) 17.050 16.259 ( -7.504 0.000 -10.704) 13.072 16.479 ( -7.884 0.000 18.881) 20.461 17.801 ( 10.687 0.000 -11.761) 15.891 18.109 ( 0.007 0.000 0.762) 0.762 18.113 ( -0.127 0.000 0.495) 0.510 ======================= Grid point 49 (20/111) ======================= q-point: (-0.56 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -0.713 0.000 5.402) 5.449 1.706 ( -4.438 0.000 -0.812) 4.512 1.906 ( 2.641 0.000 -4.641) 5.340 2.043 ( -7.450 0.000 -3.366) 8.175 2.136 ( 3.159 0.000 7.598) 8.229 2.438 ( -2.314 0.000 0.883) 2.476 2.459 ( -9.746 0.000 3.358) 10.308 2.747 ( 7.105 0.000 4.392) 8.352 2.762 ( 0.660 0.000 -0.854) 1.080 2.921 ( 2.804 0.000 -1.618) 3.237 3.087 ( 0.977 0.000 -0.227) 1.003 3.211 ( 3.069 0.000 -0.876) 3.192 3.329 ( -3.305 0.000 6.277) 7.094 3.427 ( -1.421 0.000 3.720) 3.982 3.491 ( -7.265 0.000 1.714) 7.465 3.542 ( 4.440 0.000 0.744) 4.502 3.757 ( -1.806 0.000 0.462) 1.865 3.901 ( 0.018 0.000 -0.552) 0.553 3.929 ( 0.760 0.000 -5.531) 5.583 4.046 ( -0.064 0.000 -1.345) 1.347 4.119 ( 8.367 0.000 -2.575) 8.754 4.205 ( 2.079 0.000 0.682) 2.188 4.227 ( 3.042 0.000 -5.538) 6.318 4.362 ( -0.344 0.000 4.569) 4.582 4.481 ( 0.186 0.000 3.545) 3.550 4.596 ( -6.754 0.000 -1.531) 6.925 4.812 ( 6.786 0.000 -0.272) 6.792 4.960 ( -3.673 0.000 -2.543) 4.467 5.030 ( 3.448 0.000 -9.367) 9.982 5.166 ( -1.321 0.000 -2.118) 2.496 5.383 ( 1.666 0.000 1.655) 2.348 5.390 ( -3.600 0.000 -1.298) 3.827 5.411 ( -0.037 0.000 0.885) 0.886 5.620 ( 7.476 0.000 1.867) 7.706 5.757 ( -8.274 0.000 0.959) 8.329 5.816 ( -6.234 0.000 -8.468) 10.515 5.840 ( -3.647 0.000 -1.081) 3.804 6.034 ( 2.541 0.000 8.383) 8.760 6.135 ( 2.560 0.000 4.092) 4.827 6.400 ( 2.364 0.000 -4.097) 4.730 6.578 ( 1.642 0.000 0.100) 1.646 6.827 ( -1.490 0.000 3.542) 3.842 6.847 ( 1.914 0.000 -3.051) 3.602 7.383 ( 1.840 0.000 -2.295) 2.942 7.566 ( -3.559 0.000 3.231) 4.807 7.730 ( -6.783 0.000 4.698) 8.251 8.041 ( -0.123 0.000 1.600) 1.605 8.360 ( -0.224 0.000 0.130) 0.259 8.611 ( 7.813 0.000 -7.707) 10.975 8.930 ( 6.290 0.000 -9.099) 11.061 8.964 ( -7.212 0.000 7.467) 10.381 9.547 ( -5.766 0.000 6.190) 8.460 10.005 ( -2.214 0.000 1.481) 2.664 11.018 ( 3.237 0.000 -5.089) 6.032 11.231 ( -0.651 0.000 -2.532) 2.614 11.344 ( 1.055 0.000 0.544) 1.187 11.542 ( 0.185 0.000 1.270) 1.283 11.846 ( -3.787 0.000 1.856) 4.217 12.075 ( -2.272 0.000 -3.422) 4.108 12.253 ( 2.061 0.000 -5.374) 5.756 12.473 ( -1.226 0.000 3.543) 3.749 12.551 ( 2.018 0.000 1.544) 2.541 12.721 ( 6.999 0.000 -4.063) 8.093 12.792 ( -1.650 0.000 0.425) 1.704 13.055 ( -6.988 0.000 6.810) 9.758 13.508 ( 4.988 0.000 1.500) 5.209 14.592 ( -1.506 0.000 -2.656) 3.053 15.136 ( 7.060 0.000 -9.350) 11.717 15.497 ( -0.685 0.000 -0.016) 0.685 15.549 ( -6.421 0.000 -4.497) 7.839 15.821 ( 6.488 0.000 -11.554) 13.251 15.963 ( -1.712 0.000 2.775) 3.261 16.108 ( -11.484 0.000 8.909) 14.534 16.128 ( 7.424 0.000 1.315) 7.539 16.547 ( -8.629 0.000 18.924) 20.799 17.863 ( 10.062 0.000 -8.621) 13.250 18.113 ( -0.611 0.000 1.044) 1.209 18.116 ( -0.207 0.000 0.617) 0.651 ======================= Grid point 50 (21/111) ======================= q-point: (-0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -6.973 0.000 4.549) 8.326 1.599 ( -6.200 0.000 -4.597) 7.718 1.842 ( -8.815 0.000 -4.208) 9.768 1.904 ( 3.698 0.000 -4.463) 5.796 2.190 ( -16.044 0.000 -3.091) 16.340 2.227 ( 0.848 0.000 2.744) 2.872 2.444 ( 0.636 0.000 3.705) 3.759 2.768 ( 0.888 0.000 0.222) 0.916 2.872 ( -3.541 0.000 3.988) 5.334 3.050 ( 12.622 0.000 1.160) 12.675 3.149 ( 4.053 0.000 2.022) 4.530 3.201 ( -4.698 0.000 -0.270) 4.706 3.296 ( -11.408 0.000 2.716) 11.727 3.312 ( -12.431 0.000 2.179) 12.620 3.542 ( 8.460 0.000 5.358) 10.014 3.606 ( -1.679 0.000 1.663) 2.363 3.735 ( -1.609 0.000 -1.957) 2.534 3.808 ( -3.193 0.000 -4.424) 5.456 3.889 ( 1.536 0.000 -4.403) 4.663 4.027 ( 2.225 0.000 -5.810) 6.221 4.176 ( 5.128 0.000 -4.169) 6.608 4.205 ( 1.073 0.000 -2.803) 3.001 4.257 ( -3.008 0.000 6.133) 6.831 4.408 ( -1.347 0.000 5.060) 5.236 4.480 ( -0.961 0.000 -2.231) 2.429 4.532 ( -0.913 0.000 6.079) 6.147 4.830 ( -1.550 0.000 2.085) 2.598 4.917 ( -16.108 0.000 -10.330) 19.136 4.979 ( 5.136 0.000 -9.018) 10.378 5.041 ( 9.369 0.000 -0.712) 9.396 5.229 ( -5.605 0.000 -8.458) 10.146 5.406 ( 1.352 0.000 -2.469) 2.814 5.473 ( 2.977 0.000 5.331) 6.106 5.664 ( 1.514 0.000 -0.191) 1.526 5.720 ( -0.781 0.000 3.336) 3.426 5.762 ( -2.962 0.000 -2.456) 3.848 5.798 ( 5.470 0.000 -4.311) 6.964 6.304 ( 11.606 0.000 12.390) 16.977 6.354 ( 13.333 0.000 10.799) 17.157 6.390 ( 2.212 0.000 -4.998) 5.466 6.578 ( -1.754 0.000 -0.676) 1.880 6.799 ( -5.030 0.000 1.167) 5.163 6.838 ( 1.146 0.000 -3.231) 3.428 7.345 ( -1.831 0.000 -4.695) 5.039 7.545 ( -2.797 0.000 2.812) 3.967 7.699 ( -2.104 0.000 3.738) 4.290 8.077 ( 1.309 0.000 3.041) 3.311 8.365 ( 0.748 0.000 0.235) 0.784 8.648 ( 6.773 0.000 -8.330) 10.736 8.921 ( -7.668 0.000 7.804) 10.941 8.949 ( 7.421 0.000 -8.626) 11.379 9.529 ( -4.095 0.000 5.853) 7.144 9.982 ( -1.900 0.000 0.574) 1.985 11.025 ( 4.064 0.000 -4.763) 6.261 11.207 ( 1.115 0.000 -2.477) 2.716 11.384 ( 1.151 0.000 2.755) 2.986 11.549 ( -0.805 0.000 1.700) 1.881 11.807 ( -2.269 0.000 -0.447) 2.313 11.995 ( -0.611 0.000 -6.904) 6.931 12.222 ( 1.490 0.000 -5.584) 5.779 12.468 ( -3.683 0.000 3.039) 4.775 12.612 ( 2.346 0.000 1.901) 3.019 12.757 ( -2.501 0.000 0.273) 2.516 12.777 ( 4.618 0.000 -3.944) 6.073 12.985 ( -9.424 0.000 6.013) 11.179 13.607 ( 2.568 0.000 5.593) 6.155 14.564 ( 1.752 0.000 -2.761) 3.270 15.123 ( 2.497 0.000 -9.553) 9.873 15.275 ( -10.163 0.000 -13.024) 16.520 15.470 ( -1.591 0.000 -1.312) 2.062 15.813 ( 6.466 0.000 -9.700) 11.658 15.961 ( -2.204 0.000 2.765) 3.536 16.011 ( -9.793 0.000 5.780) 11.372 16.375 ( 13.646 0.000 6.522) 15.125 16.592 ( -10.109 0.000 17.976) 20.624 17.948 ( 8.762 0.000 -4.735) 9.960 18.111 ( -1.082 0.000 1.265) 1.665 18.120 ( -0.285 0.000 0.827) 0.875 ======================= Grid point 51 (22/111) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -21.039 0.000 -2.708) 21.213 1.353 ( -16.509 0.000 -7.057) 17.954 1.770 ( 0.626 0.000 1.295) 1.438 1.902 ( -4.026 0.000 -3.036) 5.042 2.002 ( 1.204 0.000 0.718) 1.402 2.231 ( -2.640 0.000 0.692) 2.730 2.510 ( 1.083 0.000 5.216) 5.328 2.744 ( -32.153 0.000 -8.948) 33.374 2.797 ( -0.479 0.000 2.530) 2.575 2.856 ( -8.627 0.000 4.228) 9.607 3.047 ( -13.490 0.000 2.373) 13.697 3.190 ( -8.316 0.000 4.575) 9.491 3.256 ( 8.169 0.000 -1.137) 8.248 3.308 ( 5.955 0.000 0.458) 5.973 3.504 ( -7.543 0.000 -4.028) 8.551 3.680 ( 3.707 0.000 -4.062) 5.499 3.713 ( 3.125 0.000 -0.122) 3.128 3.746 ( 0.036 0.000 -4.478) 4.478 3.940 ( 9.523 0.000 -9.894) 13.733 4.012 ( 3.233 0.000 2.979) 4.396 4.147 ( -13.171 0.000 3.951) 13.750 4.268 ( 5.416 0.000 7.646) 9.370 4.298 ( 0.418 0.000 -0.612) 0.741 4.369 ( -3.023 0.000 0.959) 3.172 4.527 ( 4.920 0.000 1.861) 5.261 4.579 ( 0.234 0.000 4.336) 4.342 4.628 ( -3.209 0.000 -3.532) 4.773 4.818 ( -2.624 0.000 0.015) 2.624 5.032 ( 9.106 0.000 -3.269) 9.675 5.083 ( -1.706 0.000 -7.786) 7.970 5.187 ( 5.909 0.000 2.410) 6.382 5.400 ( 3.993 0.000 -5.054) 6.441 5.576 ( 1.780 0.000 3.806) 4.201 5.690 ( 2.132 0.000 -0.706) 2.246 5.726 ( 2.017 0.000 0.240) 2.031 5.768 ( 2.754 0.000 1.185) 2.998 5.828 ( 4.563 0.000 -6.139) 7.649 6.359 ( 0.712 0.000 -5.643) 5.688 6.499 ( -5.523 0.000 -2.742) 6.167 6.573 ( 8.183 0.000 7.116) 10.844 6.686 ( -7.519 0.000 -2.628) 7.965 6.740 ( 14.555 0.000 9.364) 17.307 6.837 ( 2.887 0.000 1.461) 3.235 7.237 ( -3.700 0.000 -5.754) 6.841 7.535 ( -2.266 0.000 3.179) 3.904 7.742 ( 2.656 0.000 2.950) 3.969 8.143 ( 2.032 0.000 3.663) 4.188 8.387 ( 1.517 0.000 0.168) 1.527 8.651 ( 4.879 0.000 -9.035) 10.268 8.884 ( -6.922 0.000 8.170) 10.708 8.984 ( 7.167 0.000 -7.656) 10.487 9.535 ( -1.893 0.000 4.206) 4.613 9.960 ( -1.194 0.000 0.506) 1.297 11.049 ( 4.557 0.000 -4.392) 6.330 11.221 ( 2.881 0.000 -0.983) 3.044 11.400 ( -3.069 0.000 1.510) 3.420 11.586 ( 1.220 0.000 5.623) 5.754 11.745 ( -2.896 0.000 -3.590) 4.613 11.913 ( 1.307 0.000 -8.760) 8.857 12.188 ( 1.638 0.000 -5.221) 5.472 12.417 ( -5.564 0.000 2.115) 5.952 12.627 ( -0.331 0.000 -3.163) 3.180 12.754 ( -0.781 0.000 5.438) 5.493 12.774 ( -2.477 0.000 -0.856) 2.620 12.900 ( -5.133 0.000 2.612) 5.760 13.720 ( 1.469 0.000 9.502) 9.615 14.590 ( 3.766 0.000 -0.995) 3.895 14.883 ( -12.718 0.000 -11.576) 17.198 15.131 ( 3.846 0.000 -10.006) 10.719 15.424 ( -1.104 0.000 -2.603) 2.827 15.824 ( 5.294 0.000 -6.971) 8.753 15.899 ( -7.628 0.000 -0.441) 7.641 15.953 ( -1.454 0.000 1.818) 2.328 16.592 ( -12.082 0.000 15.977) 20.031 16.666 ( 13.067 0.000 5.132) 14.039 18.044 ( 6.447 0.000 -1.916) 6.726 18.111 ( -0.591 0.000 2.404) 2.476 18.124 ( -0.423 0.000 1.074) 1.154 ======================= Grid point 52 (23/111) ======================= q-point: (-0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -25.202 0.000 0.139) 25.202 0.935 ( -25.367 0.000 -2.985) 25.542 1.745 ( -24.869 0.000 4.747) 25.318 1.815 ( 1.955 0.000 1.375) 2.390 2.019 ( -28.859 0.000 -6.153) 29.508 2.132 ( 10.156 0.000 1.314) 10.241 2.166 ( -5.906 0.000 1.522) 6.099 2.577 ( 0.008 0.000 2.695) 2.695 2.766 ( -8.291 0.000 5.981) 10.223 2.826 ( -0.658 0.000 -0.060) 0.661 2.861 ( -8.655 0.000 0.973) 8.709 3.088 ( -7.657 0.000 2.275) 7.988 3.271 ( -11.091 0.000 -5.324) 12.303 3.381 ( 1.395 0.000 -1.247) 1.871 3.399 ( 10.071 0.000 -2.053) 10.278 3.680 ( 1.907 0.000 -0.742) 2.047 3.701 ( -1.682 0.000 -1.287) 2.118 3.823 ( 5.013 0.000 -2.313) 5.521 3.867 ( 1.218 0.000 -12.153) 12.214 3.882 ( -13.707 0.000 1.031) 13.745 4.159 ( -6.966 0.000 4.511) 8.299 4.177 ( 7.520 0.000 1.363) 7.642 4.501 ( 6.970 0.000 -3.173) 7.658 4.544 ( 10.254 0.000 10.146) 14.425 4.609 ( -1.236 0.000 2.380) 2.682 4.630 ( 3.128 0.000 2.808) 4.203 4.655 ( 7.730 0.000 1.243) 7.830 4.791 ( -0.517 0.000 2.827) 2.874 4.993 ( -0.553 0.000 -5.468) 5.496 5.069 ( 1.012 0.000 -8.739) 8.798 5.296 ( 2.200 0.000 5.826) 6.227 5.483 ( 9.698 0.000 -1.361) 9.793 5.618 ( 3.001 0.000 0.057) 3.001 5.725 ( 2.348 0.000 -0.220) 2.358 5.784 ( 1.811 0.000 -10.318) 10.476 5.828 ( 5.449 0.000 3.220) 6.329 5.829 ( 2.485 0.000 -0.201) 2.493 6.279 ( -2.940 0.000 -5.710) 6.422 6.357 ( -7.091 0.000 -2.732) 7.599 6.507 ( -7.343 0.000 -6.453) 9.775 6.700 ( 2.858 0.000 -0.072) 2.859 6.866 ( 4.073 0.000 1.948) 4.515 7.117 ( 11.398 0.000 9.973) 15.145 7.119 ( -2.702 0.000 -5.485) 6.115 7.545 ( -1.929 0.000 6.262) 6.552 7.837 ( 4.508 0.000 2.879) 5.349 8.217 ( 2.043 0.000 3.726) 4.249 8.414 ( 1.591 0.000 -0.217) 1.606 8.621 ( 3.344 0.000 -8.782) 9.397 8.870 ( -5.335 0.000 8.086) 9.687 9.017 ( 6.006 0.000 -6.634) 8.949 9.543 ( -1.304 0.000 1.439) 1.942 9.960 ( -0.108 0.000 1.676) 1.679 11.073 ( 3.802 0.000 -4.489) 5.882 11.277 ( 3.395 0.000 1.450) 3.692 11.332 ( -4.345 0.000 -0.880) 4.433 11.629 ( -4.656 0.000 -5.804) 7.441 11.668 ( -0.370 0.000 5.060) 5.073 11.875 ( 3.481 0.000 -3.917) 5.240 12.167 ( 2.210 0.000 -4.455) 4.973 12.342 ( -5.341 0.000 1.619) 5.581 12.571 ( -1.241 0.000 -3.197) 3.429 12.688 ( -7.638 0.000 2.187) 7.945 12.811 ( -0.465 0.000 5.591) 5.610 12.878 ( 0.148 0.000 -0.237) 0.280 13.867 ( 2.906 0.000 10.822) 11.205 14.580 ( -9.594 0.000 -8.408) 12.757 14.659 ( 3.614 0.000 1.923) 4.093 15.104 ( 3.012 0.000 -4.932) 5.779 15.389 ( 0.782 0.000 -3.006) 3.106 15.723 ( -7.703 0.000 -10.910) 13.355 15.825 ( 2.986 0.000 -5.924) 6.634 15.963 ( 0.572 0.000 1.572) 1.673 16.536 ( -13.544 0.000 13.472) 19.103 16.899 ( 10.141 0.000 1.724) 10.286 18.072 ( 0.282 0.000 -1.188) 1.221 18.127 ( -0.656 0.000 1.082) 1.266 18.197 ( 5.351 0.000 4.303) 6.866 ======================= Grid point 53 (24/111) ======================= q-point: (-0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -21.183 0.000 17.253) 27.320 0.551 ( -23.659 0.000 15.348) 28.201 1.073 ( -51.499 0.000 20.514) 55.434 1.850 ( -0.113 0.000 2.120) 2.123 1.887 ( 0.550 0.000 1.882) 1.961 2.081 ( -5.052 0.000 -0.103) 5.053 2.336 ( 12.016 0.000 0.643) 12.033 2.550 ( -4.521 0.000 3.388) 5.650 2.659 ( -7.454 0.000 1.273) 7.562 2.826 ( 1.023 0.000 -0.321) 1.073 2.855 ( -0.218 0.000 6.748) 6.751 2.929 ( -7.973 0.000 -8.344) 11.541 3.089 ( -8.903 0.000 7.917) 11.914 3.402 ( 0.250 0.000 2.450) 2.462 3.505 ( 6.964 0.000 -4.626) 8.361 3.619 ( -7.702 0.000 -3.243) 8.357 3.676 ( 0.348 0.000 -1.693) 1.728 3.701 ( -0.643 0.000 -3.462) 3.521 3.811 ( 3.659 0.000 0.525) 3.696 3.916 ( -0.963 0.000 0.994) 1.384 4.236 ( 5.017 0.000 -0.699) 5.065 4.271 ( 5.426 0.000 -3.830) 6.641 4.446 ( 0.576 0.000 -1.350) 1.467 4.594 ( -0.022 0.000 0.022) 0.031 4.612 ( -0.936 0.000 2.402) 2.578 4.770 ( 4.249 0.000 -1.416) 4.479 4.828 ( 1.215 0.000 1.049) 1.605 4.851 ( 2.858 0.000 -0.366) 2.881 4.963 ( 0.747 0.000 -2.330) 2.447 4.970 ( 0.270 0.000 2.182) 2.199 5.388 ( 2.026 0.000 4.334) 4.784 5.579 ( 4.153 0.000 -2.712) 4.960 5.678 ( 0.765 0.000 -1.057) 1.305 5.689 ( 1.125 0.000 4.099) 4.250 5.779 ( 1.089 0.000 2.616) 2.833 5.876 ( 2.731 0.000 2.773) 3.892 5.950 ( 8.017 0.000 1.783) 8.213 6.187 ( -3.583 0.000 -4.320) 5.612 6.224 ( -5.206 0.000 0.734) 5.257 6.352 ( -1.888 0.000 -3.859) 4.296 6.718 ( 1.668 0.000 -2.037) 2.633 6.928 ( 1.100 0.000 0.017) 1.100 7.042 ( 0.162 0.000 -4.468) 4.471 7.282 ( -0.555 0.000 -2.184) 2.253 7.673 ( 6.291 0.000 12.605) 14.088 7.934 ( 2.762 0.000 3.216) 4.239 8.283 ( 1.065 0.000 1.412) 1.768 8.430 ( 0.916 0.000 -0.964) 1.330 8.581 ( 3.043 0.000 -8.172) 8.720 8.881 ( -3.856 0.000 8.100) 8.970 9.038 ( 4.599 0.000 -6.057) 7.605 9.518 ( -1.805 0.000 0.621) 1.909 9.995 ( 0.336 0.000 5.192) 5.203 11.069 ( 1.976 0.000 -4.818) 5.208 11.269 ( -1.178 0.000 -1.714) 2.079 11.436 ( 12.878 0.000 19.354) 23.247 11.515 ( -2.344 0.000 -1.647) 2.865 11.660 ( -1.543 0.000 -2.148) 2.645 11.942 ( 1.751 0.000 6.084) 6.331 12.170 ( 2.930 0.000 -2.783) 4.041 12.296 ( -2.554 0.000 2.389) 3.497 12.538 ( 0.288 0.000 -0.862) 0.909 12.593 ( -6.051 0.000 1.991) 6.370 12.842 ( -1.371 0.000 2.491) 2.844 12.888 ( 0.920 0.000 0.400) 1.003 13.914 ( -7.869 0.000 -20.151) 21.633 14.416 ( -2.810 0.000 -1.769) 3.320 14.740 ( 1.350 0.000 4.858) 5.042 15.181 ( 2.822 0.000 7.884) 8.374 15.388 ( 2.230 0.000 -1.985) 2.986 15.405 ( -6.142 0.000 -5.196) 8.045 15.802 ( 3.856 0.000 -8.275) 9.129 15.999 ( 0.518 0.000 2.939) 2.984 16.444 ( -13.360 0.000 11.641) 17.720 17.023 ( 5.266 0.000 -3.379) 6.257 18.061 ( 0.030 0.000 -1.130) 1.130 18.125 ( -0.819 0.000 0.745) 1.107 18.279 ( -0.505 0.000 -9.828) 9.841 ======================= Grid point 54 (25/111) ======================= q-point: ( 0.00 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 4.223 14.306 15.874) 21.782 0.782 ( 1.216 16.158 20.740) 26.320 1.428 ( -2.397 29.792 34.669) 45.774 1.896 ( -0.845 -7.334 6.388) 9.763 1.981 ( -2.246 3.038 -2.366) 4.458 2.030 ( -2.951 -3.640 1.642) 4.966 2.176 ( 3.736 -12.311 -7.518) 14.901 2.485 ( -3.242 -1.867 -3.493) 5.118 2.566 ( 4.559 -0.889 3.938) 6.090 2.891 ( 1.840 1.726 5.321) 5.889 2.985 ( -5.239 10.440 -1.095) 11.732 3.051 ( -1.481 6.155 4.369) 7.692 3.202 ( 5.840 4.106 6.861) 9.902 3.361 ( 0.401 -1.489 -1.475) 2.134 3.493 ( 1.207 -2.294 -2.216) 3.410 3.591 ( -0.322 -4.472 -0.887) 4.571 3.625 ( 4.540 2.268 -5.856) 7.749 3.724 ( -0.792 -1.242 -3.010) 3.351 3.857 ( -1.995 -1.701 2.195) 3.419 3.934 ( 2.663 1.472 -2.018) 3.651 4.066 ( -2.181 2.258 4.011) 5.093 4.251 ( 3.544 -1.247 -3.428) 5.086 4.480 ( -1.233 -11.810 -5.750) 13.193 4.572 ( 2.189 -2.610 2.109) 4.006 4.603 ( -4.735 -4.465 -8.505) 10.709 4.697 ( -0.484 1.480 2.900) 3.292 4.787 ( 2.958 -4.104 -1.556) 5.293 4.850 ( -1.208 5.534 -1.801) 5.944 4.939 ( -3.107 -0.609 4.030) 5.125 5.094 ( -0.672 4.718 0.516) 4.793 5.361 ( -4.023 -2.671 -0.406) 4.846 5.589 ( -2.897 -5.234 -0.534) 6.006 5.646 ( 0.309 -0.370 -2.121) 2.175 5.721 ( 1.076 -0.823 1.451) 1.985 5.789 ( 1.601 -1.711 -3.398) 4.127 5.915 ( 1.993 -8.961 2.317) 9.468 6.073 ( -1.912 2.789 -1.633) 3.755 6.191 ( 4.850 3.213 3.982) 7.050 6.358 ( 6.270 0.647 -0.416) 6.317 6.431 ( 3.374 -0.752 4.168) 5.415 6.769 ( 6.803 3.509 -2.044) 7.923 6.912 ( -3.031 1.588 -3.016) 4.561 6.997 ( -2.886 -0.267 1.530) 3.278 7.108 ( -10.159 -1.166 3.270) 10.736 7.652 ( -0.302 5.656 1.029) 5.757 8.207 ( -1.428 1.665 -1.398) 2.601 8.346 ( -1.232 11.524 -9.847) 15.208 8.395 ( -0.029 -2.816 -2.708) 3.907 8.446 ( 3.318 -7.958 -5.579) 10.269 8.826 ( -2.622 -7.309 7.166) 10.566 9.133 ( 2.434 7.587 -5.027) 9.421 9.520 ( 2.661 -3.779 0.070) 4.623 10.143 ( -1.329 9.165 5.171) 10.607 10.976 ( 2.143 -8.724 -3.075) 9.495 11.230 ( -0.332 0.224 -3.161) 3.186 11.429 ( -0.140 -6.350 -1.370) 6.498 11.623 ( 2.144 4.171 2.696) 5.409 11.964 ( 2.076 -5.093 4.731) 7.255 12.210 ( 7.151 3.519 -1.949) 8.204 12.270 ( -0.792 0.288 1.597) 1.806 12.370 ( 16.456 0.574 2.130) 16.604 12.434 ( -10.318 -4.784 2.923) 11.742 12.635 ( 3.447 4.824 2.641) 6.490 12.868 ( -1.898 2.250 -2.616) 3.938 12.920 ( -4.181 1.981 -0.531) 4.656 13.020 ( -17.296 -0.541 -1.998) 17.420 14.496 ( 5.468 3.038 6.542) 9.051 14.800 ( 2.142 -2.299 8.663) 9.215 15.164 ( 3.084 5.989 -5.718) 8.836 15.423 ( 0.865 2.211 -0.506) 2.427 15.691 ( 7.387 -5.497 -2.636) 9.577 15.872 ( 5.514 -7.434 1.014) 9.311 16.139 ( 8.166 2.725 0.851) 8.651 16.291 ( -7.690 -5.299 10.010) 13.690 17.109 ( -3.467 10.647 -6.763) 13.082 17.726 ( -12.321 -7.929 -1.575) 14.737 18.075 ( -0.535 0.596 0.240) 0.836 18.114 ( -0.673 -0.370 0.293) 0.822 ======================= Grid point 55 (26/111) ======================= q-point: ( 0.11 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 12.316 3.381 19.099) 22.976 1.210 ( 19.324 9.562 17.540) 27.794 1.833 ( -3.590 -2.182 -4.844) 6.412 1.853 ( 2.856 23.644 23.504) 33.460 1.939 ( 0.528 -3.031 0.272) 3.088 2.132 ( 10.192 -3.745 12.102) 16.259 2.221 ( 7.751 1.512 -1.315) 8.006 2.474 ( 4.031 -1.077 0.122) 4.174 2.705 ( 1.385 -1.395 11.029) 11.203 2.870 ( -6.773 2.544 5.211) 8.916 3.009 ( 0.414 8.717 2.093) 8.974 3.065 ( 0.068 2.648 2.216) 3.454 3.322 ( 1.393 1.413 -3.178) 3.746 3.429 ( 6.145 2.448 6.720) 9.429 3.500 ( -1.263 -0.442 -2.512) 2.847 3.551 ( 3.511 -3.086 -3.622) 5.913 3.666 ( 4.296 -12.385 -3.976) 13.699 3.689 ( 4.848 -0.548 -1.076) 4.996 3.847 ( -2.984 -2.273 3.822) 5.355 3.968 ( 2.349 3.059 -0.620) 3.906 4.103 ( 1.642 1.867 0.067) 2.487 4.258 ( -6.144 0.592 -5.413) 8.210 4.308 ( -4.943 -8.254 -3.808) 10.348 4.426 ( -3.881 -4.964 -6.490) 9.046 4.560 ( -2.012 -2.271 -3.400) 4.557 4.609 ( -6.471 5.929 -2.949) 9.258 4.765 ( -0.271 4.870 6.388) 8.037 4.910 ( 0.205 -0.433 -0.229) 0.531 4.964 ( 0.250 -2.045 -1.318) 2.446 5.074 ( 2.986 -0.007 -1.034) 3.160 5.314 ( -2.075 -1.015 2.780) 3.615 5.477 ( -6.127 -5.646 -4.663) 9.548 5.620 ( -1.438 -2.122 -0.736) 2.667 5.702 ( -4.411 -3.702 -0.800) 5.813 5.733 ( -1.311 -0.884 -6.622) 6.808 5.950 ( 0.529 -12.114 0.659) 12.143 6.067 ( -1.112 4.969 4.740) 6.956 6.303 ( 5.017 1.670 0.540) 5.315 6.463 ( 4.302 -0.963 3.575) 5.676 6.504 ( 0.935 -2.059 1.495) 2.711 6.762 ( -6.143 3.043 -5.708) 8.921 6.785 ( -5.863 1.810 -5.919) 8.526 6.913 ( -3.197 4.483 2.820) 6.187 7.124 ( 5.628 -0.051 0.619) 5.662 7.648 ( -1.201 4.199 0.750) 4.431 8.157 ( -1.778 0.710 -2.278) 2.976 8.203 ( -7.336 13.835 -1.514) 15.733 8.362 ( 0.513 -3.770 -3.768) 5.354 8.441 ( 2.633 -7.040 -4.875) 8.959 8.856 ( -3.426 -8.229 7.405) 11.589 9.117 ( 2.749 8.055 -5.763) 10.278 9.565 ( 2.581 -3.799 -0.303) 4.603 10.152 ( -4.178 9.039 5.202) 11.235 10.969 ( 0.880 -9.389 -3.014) 9.900 11.235 ( 2.484 -0.082 -0.126) 2.488 11.392 ( -2.137 -3.935 -1.174) 4.629 11.646 ( 0.041 6.816 -1.321) 6.943 12.021 ( -0.659 -6.343 3.468) 7.259 12.185 ( -17.403 2.741 7.931) 19.320 12.291 ( 3.970 4.979 0.646) 6.401 12.294 ( -1.228 -1.159 2.172) 2.751 12.536 ( 2.415 -1.638 1.733) 3.394 12.674 ( -3.209 6.176 -4.329) 8.197 12.726 ( 1.054 3.362 4.431) 5.661 12.940 ( 1.689 -2.181 2.409) 3.663 13.083 ( 14.386 -5.378 -8.151) 17.387 14.722 ( 9.935 3.399 9.436) 14.117 14.875 ( -3.066 4.898 6.330) 8.571 15.192 ( 6.349 5.334 -4.118) 9.259 15.441 ( 0.927 0.568 1.018) 1.489 15.721 ( 7.158 -7.215 -10.614) 14.695 15.921 ( -1.621 -7.965 2.313) 8.450 16.250 ( -1.784 -0.320 7.645) 7.857 16.295 ( -5.710 -3.664 11.524) 13.373 16.936 ( -6.217 11.311 -9.397) 15.966 17.620 ( 3.730 -9.016 -7.655) 12.401 18.080 ( 0.452 0.215 0.525) 0.726 18.108 ( -0.297 -0.310 0.224) 0.484 ======================= Grid point 56 (27/111) ======================= q-point: ( 0.22 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 10.064 -0.240 14.743) 17.852 1.632 ( 7.821 -0.869 1.908) 8.097 1.769 ( 7.340 4.572 7.372) 11.363 1.918 ( -2.957 10.738 5.291) 12.331 2.088 ( 6.208 8.601 5.613) 12.001 2.328 ( 5.464 5.962 -1.763) 8.277 2.440 ( 8.533 -1.795 1.688) 8.882 2.691 ( 11.884 7.706 11.680) 18.358 2.816 ( -4.059 -1.415 3.713) 5.680 2.855 ( 0.391 -0.107 9.318) 9.327 2.999 ( -2.067 2.146 4.813) 5.661 3.111 ( 1.922 1.438 3.054) 3.884 3.304 ( -0.023 0.027 -1.565) 1.565 3.382 ( -3.079 1.351 -2.242) 4.041 3.543 ( 0.632 -0.782 1.033) 1.441 3.619 ( 4.931 -3.401 -4.787) 7.668 3.703 ( 2.459 -9.654 -4.924) 11.113 3.753 ( 1.282 -6.835 -1.302) 7.075 3.876 ( 1.619 -1.011 2.938) 3.503 3.936 ( -5.813 -4.000 -12.574) 14.419 3.998 ( 2.026 0.912 0.652) 2.316 4.153 ( 0.760 1.687 3.483) 3.944 4.229 ( -2.227 -3.163 -4.880) 6.227 4.424 ( 0.378 -0.783 6.128) 6.189 4.466 ( -2.928 3.436 -3.154) 5.507 4.598 ( 4.878 -0.344 -0.596) 4.926 4.776 ( -4.892 2.439 6.675) 8.628 4.851 ( -5.616 5.132 0.532) 7.627 4.989 ( 6.798 -0.367 -1.205) 6.914 5.172 ( 6.180 -5.313 0.172) 8.151 5.287 ( -5.614 -1.393 -1.553) 5.989 5.368 ( 0.897 0.764 -1.343) 1.787 5.564 ( -5.543 0.923 -1.617) 5.847 5.592 ( -4.016 -4.521 -3.590) 7.032 5.649 ( -2.518 -7.101 -0.445) 7.548 5.942 ( -2.104 -12.085 0.433) 12.275 6.101 ( -1.600 8.561 4.227) 9.680 6.360 ( 2.308 -0.237 -1.409) 2.714 6.470 ( -6.185 -3.941 -5.510) 9.173 6.485 ( -8.393 -0.088 -3.600) 9.133 6.586 ( -5.273 3.483 -4.384) 7.691 6.645 ( 1.960 -0.311 0.426) 2.030 6.927 ( 1.214 7.338 0.895) 7.491 7.236 ( 6.014 -0.577 1.095) 6.140 7.636 ( -1.037 4.483 0.536) 4.633 8.070 ( -9.191 12.265 2.676) 15.559 8.111 ( -1.677 1.927 -1.343) 2.886 8.338 ( 1.057 -4.466 -2.884) 5.420 8.425 ( 2.411 -8.094 -5.714) 10.197 8.864 ( -5.171 -9.832 7.127) 13.198 9.103 ( 3.680 9.391 -6.638) 12.075 9.597 ( 1.191 -2.159 0.490) 2.514 10.126 ( -5.321 8.777 5.183) 11.499 10.945 ( 0.485 -9.711 -3.222) 10.243 11.278 ( 1.155 -0.858 0.958) 1.729 11.344 ( -1.839 -1.532 -0.945) 2.573 11.618 ( -0.445 8.359 -1.920) 8.588 11.996 ( -9.182 -0.860 6.595) 11.338 12.062 ( -3.459 -2.214 1.975) 4.557 12.318 ( 0.844 -0.997 2.574) 2.886 12.370 ( 4.126 4.861 0.110) 6.377 12.560 ( -1.487 -1.377 -0.374) 2.060 12.608 ( 2.841 2.388 -4.632) 5.936 12.790 ( 1.010 3.679 3.447) 5.142 13.006 ( 1.275 -1.456 4.522) 4.919 13.216 ( 10.644 -7.195 -5.623) 14.024 14.846 ( -5.480 8.550 2.575) 10.477 14.975 ( 9.863 2.644 4.249) 11.060 15.284 ( 6.320 2.547 1.756) 7.037 15.481 ( 2.882 1.166 0.925) 3.244 15.711 ( 4.937 -9.988 -10.293) 15.168 15.905 ( -0.634 -6.306 -0.669) 6.373 16.260 ( -9.729 3.030 13.769) 17.129 16.352 ( -2.813 -2.210 11.560) 12.101 16.714 ( -8.208 13.005 -8.991) 17.814 17.627 ( 8.939 -12.036 -11.722) 19.030 18.095 ( 0.398 -0.013 0.704) 0.809 18.109 ( -0.064 -0.172 0.374) 0.416 ======================= Grid point 57 (28/111) ======================= q-point: ( 0.33 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 2.577 3.438 3.329) 5.435 1.698 ( 0.849 -3.879 3.897) 5.564 1.884 ( 3.998 5.390 -3.295) 7.476 2.084 ( 4.235 13.031 11.673) 18.000 2.285 ( 7.347 5.268 6.296) 11.017 2.332 ( -1.758 8.771 -1.476) 9.066 2.542 ( 4.723 7.295 2.620) 9.076 2.787 ( 1.553 1.843 -2.903) 3.773 2.834 ( -4.969 -1.445 6.195) 8.072 2.900 ( 1.168 4.629 -5.304) 7.136 3.072 ( 3.953 -1.776 5.034) 6.643 3.163 ( -3.859 -1.820 -2.219) 4.809 3.260 ( 1.772 -0.255 4.492) 4.836 3.459 ( -7.090 -4.001 -3.887) 9.022 3.466 ( 3.193 -4.246 4.199) 6.772 3.576 ( -4.725 1.083 3.453) 5.952 3.687 ( 3.667 -0.664 -2.432) 4.450 3.750 ( 2.993 -9.396 -3.286) 10.395 3.823 ( 0.165 -12.789 -1.962) 12.940 3.948 ( 2.375 -1.536 -1.661) 3.280 4.050 ( 4.965 -0.026 -2.400) 5.515 4.201 ( 5.436 -1.164 -2.534) 6.110 4.220 ( 1.429 3.422 2.947) 4.737 4.398 ( -2.006 4.199 -1.640) 4.933 4.492 ( -1.001 1.201 6.128) 6.324 4.674 ( 5.355 -1.733 -0.919) 5.703 4.716 ( -7.601 2.492 3.301) 8.654 4.911 ( 3.225 -5.864 3.601) 7.600 5.053 ( 2.943 0.493 -3.964) 4.962 5.192 ( 1.033 5.465 -1.367) 5.728 5.275 ( 5.736 -4.834 -0.200) 7.504 5.412 ( 0.449 1.443 3.647) 3.948 5.450 ( -3.920 0.608 -1.737) 4.330 5.518 ( 0.316 0.080 -1.768) 1.798 5.635 ( -2.202 -9.840 4.296) 10.960 5.913 ( -2.310 -9.747 2.114) 10.238 6.063 ( -6.589 5.796 -1.792) 8.956 6.147 ( -15.245 -0.684 -10.657) 18.613 6.254 ( -8.086 3.016 -4.272) 9.630 6.397 ( 1.501 0.010 -2.339) 2.779 6.552 ( 2.186 0.962 -1.430) 2.784 6.719 ( 1.265 -3.242 3.878) 5.211 6.961 ( 1.809 8.492 0.276) 8.687 7.330 ( 4.184 -1.345 0.075) 4.395 7.625 ( -0.611 5.216 0.010) 5.252 7.955 ( -9.416 11.808 4.840) 15.859 8.079 ( -1.161 2.885 -0.066) 3.111 8.335 ( 0.386 -3.490 -0.456) 3.540 8.408 ( 4.745 -11.541 -7.588) 14.604 8.838 ( -6.932 -11.642 6.926) 15.217 9.098 ( 4.864 10.801 -7.406) 13.971 9.613 ( -0.593 0.009 1.481) 1.595 10.093 ( -4.861 8.117 4.461) 10.460 10.921 ( 1.041 -9.846 -3.449) 10.484 11.274 ( -1.630 -0.072 -0.215) 1.646 11.325 ( 0.326 -0.851 -0.594) 1.088 11.607 ( 0.869 7.558 -0.734) 7.643 11.915 ( -7.430 1.139 4.658) 8.843 12.034 ( -1.210 -5.278 -1.239) 5.555 12.369 ( 1.821 -1.054 2.581) 3.330 12.403 ( 0.540 4.522 -2.694) 5.291 12.524 ( -0.447 -0.767 0.490) 1.014 12.657 ( 7.309 1.228 -4.324) 8.580 12.822 ( -0.263 2.271 1.278) 2.619 13.063 ( -1.916 -0.090 6.272) 6.559 13.323 ( 7.092 -7.354 -1.641) 10.347 14.768 ( -4.397 9.394 -0.978) 10.418 15.114 ( 7.776 2.115 -4.879) 9.421 15.401 ( 1.924 -4.298 4.521) 6.528 15.546 ( 0.320 -0.956 0.254) 1.040 15.690 ( 8.059 -7.418 -7.433) 13.237 15.896 ( 1.488 -4.508 -2.353) 5.298 16.236 ( -11.698 5.464 14.565) 19.464 16.442 ( 2.050 7.644 3.355) 8.595 16.490 ( -12.537 8.329 3.488) 15.450 17.660 ( 9.993 -13.465 -11.215) 20.173 18.106 ( -0.048 -0.076 0.848) 0.852 18.113 ( -0.097 -0.075 0.545) 0.558 ======================= Grid point 58 (29/111) ======================= q-point: (-0.56 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 1.713 2.557 1.935) 3.636 1.678 ( -3.890 2.410 0.639) 4.620 1.919 ( 2.633 5.367 -3.483) 6.919 2.147 ( -5.522 9.703 -5.488) 12.440 2.269 ( 1.012 10.156 4.376) 11.105 2.371 ( -4.083 0.693 2.510) 4.843 2.658 ( -9.153 9.061 -3.289) 13.293 2.753 ( 5.145 4.201 5.030) 8.332 2.820 ( 7.578 3.847 -1.165) 8.578 2.913 ( 1.790 -0.695 -0.030) 1.920 3.075 ( -1.001 -0.756 -0.479) 1.343 3.173 ( 3.062 -2.572 0.914) 4.102 3.368 ( 0.148 -0.040 8.017) 8.018 3.383 ( -1.845 -3.817 4.123) 5.914 3.478 ( -1.123 -2.249 -1.112) 2.749 3.537 ( -3.687 2.182 2.793) 5.114 3.658 ( -0.752 -8.898 -3.606) 9.630 3.809 ( -2.037 -9.575 0.679) 9.813 3.823 ( 3.924 -10.050 -0.704) 10.811 3.959 ( 1.384 -2.060 -0.912) 2.644 4.123 ( 4.778 0.269 -1.457) 5.002 4.227 ( 2.447 1.996 -4.107) 5.180 4.281 ( 2.016 2.010 -0.497) 2.890 4.382 ( 1.053 2.695 0.701) 2.977 4.520 ( -3.569 0.738 5.372) 6.491 4.616 ( -6.531 2.884 1.069) 7.219 4.762 ( 4.223 -5.446 -1.086) 6.976 4.900 ( -1.857 -5.089 0.516) 5.442 5.014 ( 2.008 0.048 -8.945) 9.167 5.221 ( -0.707 3.422 -4.106) 5.391 5.345 ( 1.345 -2.595 -0.914) 3.062 5.411 ( -1.714 0.605 -1.005) 2.077 5.428 ( 0.649 2.056 0.515) 2.217 5.543 ( -2.630 -5.903 3.779) 7.486 5.693 ( 2.650 -1.850 1.169) 3.436 5.794 ( -8.626 -1.827 -4.623) 9.956 5.895 ( -1.702 0.473 -0.869) 1.968 6.011 ( 4.675 -3.929 6.334) 8.799 6.171 ( -0.675 5.603 0.488) 5.665 6.391 ( 1.961 -1.002 -3.916) 4.493 6.588 ( 1.535 1.079 1.095) 2.172 6.758 ( -1.064 -3.277 3.309) 4.778 6.978 ( 0.283 8.301 -0.856) 8.349 7.367 ( 1.220 -2.011 -1.895) 3.021 7.617 ( 0.494 6.589 -1.163) 6.709 7.870 ( -7.379 11.685 5.666) 14.936 8.074 ( -0.177 3.133 1.399) 3.436 8.331 ( -0.398 -2.836 0.045) 2.864 8.433 ( 7.752 -13.187 -7.503) 17.038 8.792 ( -7.616 -13.015 7.274) 16.742 9.105 ( 5.740 11.593 -7.882) 15.148 9.610 ( -1.934 1.940 2.081) 3.441 10.063 ( -3.781 7.452 3.358) 9.005 10.907 ( 1.881 -10.222 -3.647) 11.014 11.244 ( -0.601 1.054 -1.524) 1.948 11.334 ( 0.980 -1.012 0.450) 1.479 11.619 ( 0.709 6.678 -0.080) 6.716 11.853 ( -4.595 0.644 2.362) 5.207 11.993 ( -0.852 -4.681 -3.063) 5.659 12.349 ( -0.927 3.109 -5.078) 6.026 12.428 ( 1.629 -1.483 2.637) 3.436 12.549 ( 0.410 0.229 2.714) 2.754 12.734 ( 7.378 1.129 -4.860) 8.907 12.811 ( -1.234 1.394 -0.672) 1.979 13.067 ( -6.039 1.317 6.776) 9.172 13.417 ( 3.980 -7.936 2.045) 9.111 14.694 ( -1.367 9.132 -3.272) 9.796 15.153 ( 5.755 1.598 -7.930) 9.928 15.408 ( -5.166 -8.898 -5.305) 11.575 15.473 ( 0.536 -5.193 -2.357) 5.728 15.819 ( 8.787 0.138 -2.693) 9.191 15.897 ( 1.050 -2.712 -1.220) 3.153 16.169 ( -13.016 5.294 10.041) 17.270 16.320 ( -4.930 10.442 -0.295) 11.551 16.587 ( -0.785 6.692 16.036) 17.394 17.721 ( 9.711 -13.583 -7.675) 18.377 18.112 ( -0.484 -0.030 0.986) 1.099 18.116 ( -0.267 -0.039 0.695) 0.746 ======================= Grid point 59 (30/111) ======================= q-point: (-0.44 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -7.055 -1.637 -2.688) 7.725 1.704 ( 0.683 9.695 2.311) 9.990 1.827 ( -10.012 2.591 -5.231) 11.590 1.976 ( -1.407 7.782 -6.802) 10.431 2.228 ( -11.739 3.757 -1.533) 12.420 2.341 ( 2.103 8.537 -1.669) 8.949 2.542 ( -1.305 8.472 1.335) 8.676 2.750 ( -0.683 -0.681 -0.609) 1.140 2.899 ( -3.262 0.932 1.683) 3.788 3.044 ( 7.719 0.075 2.182) 8.022 3.112 ( 1.868 -3.596 -1.747) 4.412 3.199 ( -2.364 2.706 5.841) 6.858 3.314 ( -13.816 0.480 2.953) 14.136 3.417 ( -8.317 7.395 1.827) 11.278 3.464 ( 6.276 -6.799 3.216) 9.795 3.557 ( 1.515 -3.783 3.661) 5.478 3.660 ( 3.612 -7.653 -2.134) 8.727 3.757 ( -0.929 -4.101 -0.766) 4.274 3.871 ( 4.182 -4.791 -4.266) 7.658 3.956 ( -1.081 -3.005 -0.285) 3.206 4.114 ( 1.290 -2.792 -5.620) 6.406 4.193 ( -0.968 0.728 -2.433) 2.718 4.342 ( 0.384 2.410 6.295) 6.751 4.412 ( -4.616 1.515 3.897) 6.228 4.461 ( 0.584 -1.630 -1.023) 2.011 4.591 ( -1.779 4.729 5.019) 7.122 4.763 ( -0.628 -7.958 -4.349) 9.091 4.835 ( -8.185 -3.322 -0.873) 8.877 5.035 ( 7.446 0.403 -2.064) 7.737 5.058 ( -2.712 3.788 -10.000) 11.032 5.238 ( -5.086 0.488 -8.184) 9.648 5.366 ( 1.331 -4.177 -4.876) 6.557 5.475 ( 1.807 -0.366 2.224) 2.889 5.548 ( 0.087 -3.618 4.776) 5.992 5.688 ( -0.637 -2.024 3.965) 4.497 5.745 ( 2.829 -2.609 -3.436) 5.159 5.952 ( 2.281 8.563 -2.581) 9.230 6.245 ( 10.580 -6.287 5.437) 13.455 6.282 ( 8.528 -1.446 8.157) 11.890 6.393 ( 3.321 -1.647 -0.797) 3.792 6.610 ( -0.568 2.438 1.419) 2.877 6.760 ( -2.255 -2.208 2.638) 4.114 6.950 ( -1.501 8.009 -1.905) 8.368 7.325 ( -2.336 -2.256 -3.863) 5.047 7.621 ( 2.162 8.726 -2.258) 9.269 7.844 ( -2.727 11.876 5.560) 13.394 8.103 ( 1.025 2.429 2.465) 3.610 8.333 ( 0.931 -3.341 -0.271) 3.479 8.485 ( 7.535 -11.842 -7.246) 15.796 8.752 ( -6.780 -13.147 7.869) 16.755 9.117 ( 5.827 11.426 -7.807) 15.015 9.597 ( -2.133 2.439 1.841) 3.727 10.041 ( -2.641 7.535 2.506) 8.368 10.905 ( 2.755 -10.811 -3.675) 11.746 11.229 ( 0.768 1.807 -1.094) 2.247 11.371 ( 1.328 -1.468 2.605) 3.272 11.626 ( 0.395 6.739 -0.051) 6.751 11.807 ( -2.772 0.195 -0.013) 2.779 11.943 ( 0.167 -2.933 -4.962) 5.767 12.279 ( -0.528 2.110 -5.493) 5.907 12.463 ( -1.059 0.108 1.972) 2.241 12.587 ( 0.372 -1.484 3.232) 3.576 12.759 ( -0.442 1.284 -3.332) 3.598 12.800 ( 3.764 0.633 -3.198) 4.980 13.014 ( -8.617 3.082 6.607) 11.287 13.500 ( 1.318 -9.311 5.455) 10.871 14.659 ( 1.861 8.181 -3.868) 9.239 15.121 ( -2.217 -1.629 -8.844) 9.262 15.214 ( -2.142 -2.844 -10.593) 11.175 15.480 ( 0.843 -1.175 -1.575) 2.138 15.835 ( 3.662 1.833 -9.612) 10.448 15.927 ( -0.976 -2.193 3.278) 4.063 16.042 ( -11.177 3.029 5.507) 12.823 16.310 ( -1.414 -4.149 5.897) 7.347 16.765 ( 1.972 13.944 14.727) 20.377 17.813 ( 8.106 -12.705 -2.970) 15.361 18.111 ( -0.935 0.071 1.122) 1.462 18.120 ( -0.336 -0.060 0.866) 0.931 ======================= Grid point 60 (31/111) ======================= q-point: (-0.33 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -15.102 3.360 -3.014) 15.762 1.468 ( -15.861 12.377 -10.505) 22.696 1.811 ( 2.291 -3.525 5.795) 7.159 1.929 ( 0.590 4.726 -2.988) 5.622 2.011 ( -9.335 6.377 -2.096) 11.498 2.315 ( -0.306 4.185 -6.408) 7.660 2.561 ( -0.180 4.178 1.158) 4.339 2.740 ( -8.470 -1.920 1.393) 8.796 2.808 ( -18.672 4.641 -3.947) 19.641 2.888 ( -14.116 2.042 5.675) 15.351 2.999 ( -10.557 -2.017 2.749) 11.094 3.158 ( 1.271 -1.061 1.081) 1.977 3.300 ( -2.366 1.759 -1.698) 3.402 3.368 ( 5.050 4.166 4.049) 7.698 3.515 ( -2.367 -0.881 -0.324) 2.546 3.632 ( 2.979 -0.958 -5.360) 6.207 3.691 ( 2.653 -5.997 -3.843) 7.601 3.745 ( 1.933 0.613 -2.372) 3.121 3.894 ( 6.440 -3.617 1.612) 7.561 3.952 ( 1.300 -5.212 -5.228) 7.496 4.128 ( -10.654 -2.900 3.622) 11.621 4.183 ( 7.190 -3.084 4.209) 8.884 4.334 ( -5.570 2.946 -0.314) 6.308 4.375 ( -1.395 -1.308 6.792) 7.056 4.528 ( 4.489 -0.660 -0.011) 4.538 4.582 ( -2.602 -3.028 -1.395) 4.230 4.659 ( 2.405 5.828 4.909) 7.991 4.813 ( -1.286 0.514 -1.907) 2.357 5.005 ( 6.502 -2.474 -3.299) 7.699 5.097 ( -1.925 0.765 -6.879) 7.184 5.166 ( 5.337 -1.954 2.518) 6.216 5.331 ( 2.187 -7.104 -5.345) 9.155 5.521 ( 2.102 -0.993 1.468) 2.750 5.654 ( 4.038 -0.368 6.232) 7.435 5.739 ( 2.830 -2.543 0.868) 3.902 5.774 ( 3.743 -1.758 -1.941) 4.569 5.916 ( 0.132 8.477 -5.572) 10.145 6.299 ( 1.525 -5.270 -6.775) 8.717 6.445 ( 0.726 -2.404 1.417) 2.883 6.549 ( 3.263 -6.156 3.755) 7.915 6.638 ( 2.583 3.601 3.510) 5.653 6.770 ( 1.215 -1.285 3.348) 3.786 6.931 ( 1.856 7.198 2.168) 7.743 7.224 ( -3.794 -1.655 -4.339) 5.997 7.633 ( 1.784 10.489 -1.846) 10.799 7.908 ( 4.218 12.901 4.226) 14.216 8.156 ( 1.656 1.303 2.905) 3.589 8.354 ( 1.885 -3.381 -0.410) 3.893 8.514 ( 5.366 -10.323 -7.526) 13.856 8.742 ( -4.675 -11.566 7.904) 14.768 9.129 ( 5.238 10.517 -6.957) 13.655 9.580 ( -1.621 1.214 0.749) 2.159 10.034 ( -1.210 8.460 2.279) 8.845 10.919 ( 3.451 -11.473 -3.462) 12.471 11.250 ( 1.828 2.419 0.998) 3.193 11.410 ( -0.953 -0.502 2.365) 2.599 11.652 ( 2.643 6.133 1.740) 6.901 11.746 ( -2.963 0.262 -3.125) 4.314 11.893 ( 1.056 -0.742 -6.237) 6.369 12.219 ( 0.429 1.275 -5.228) 5.398 12.432 ( -4.363 1.602 1.131) 4.784 12.619 ( 0.031 -2.848 1.196) 3.089 12.699 ( -3.007 0.474 -1.783) 3.528 12.822 ( 2.640 0.379 -2.656) 3.764 12.946 ( -7.361 5.098 6.482) 11.054 13.581 ( -0.708 -11.775 8.677) 14.644 14.669 ( 3.708 5.918 -3.396) 7.765 14.869 ( -10.350 -1.329 -11.407) 15.460 15.165 ( 3.851 3.874 -6.618) 8.580 15.455 ( -0.627 2.210 -2.869) 3.676 15.805 ( 4.357 -2.111 -7.678) 9.077 15.851 ( -9.571 -3.550 -0.095) 10.209 15.983 ( -0.884 2.485 1.566) 3.068 16.353 ( -3.136 -11.498 7.843) 14.267 16.954 ( 3.659 16.421 10.894) 20.043 17.916 ( 5.335 -11.964 0.904) 13.131 18.107 ( -1.195 0.101 1.464) 1.892 18.124 ( -0.470 -0.154 1.117) 1.222 ======================= Grid point 61 (32/111) ======================= q-point: (-0.22 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -19.462 13.563 -6.667) 24.641 1.105 ( -19.127 13.176 -0.309) 23.228 1.852 ( -13.916 8.306 4.330) 16.774 1.891 ( -3.753 -12.365 1.812) 13.048 1.951 ( 2.654 5.719 -1.604) 6.506 2.126 ( -24.730 10.181 -0.806) 26.756 2.240 ( -3.209 -2.378 -4.929) 6.345 2.560 ( -7.447 -1.365 1.009) 7.638 2.736 ( -2.223 2.508 7.076) 7.829 2.800 ( -8.702 -4.270 0.493) 9.706 2.913 ( 0.734 6.234 -0.286) 6.284 3.140 ( -4.810 2.609 2.672) 6.090 3.323 ( 4.791 -0.314 -1.610) 5.064 3.363 ( -8.071 4.784 -5.849) 11.055 3.467 ( 2.338 4.083 0.542) 4.736 3.625 ( 3.250 -4.857 -2.185) 6.239 3.656 ( -1.754 -4.763 -0.555) 5.106 3.777 ( -4.333 -5.335 -4.762) 8.361 3.865 ( 1.219 -0.946 -1.179) 1.942 3.886 ( -4.756 -0.718 -5.613) 7.392 4.109 ( 7.924 -2.127 0.337) 8.212 4.213 ( -3.976 5.556 6.741) 9.597 4.434 ( 6.119 -4.803 -0.739) 7.813 4.521 ( 3.543 -3.888 0.122) 5.261 4.537 ( 6.348 -5.482 3.125) 8.951 4.645 ( 2.319 -0.027 6.940) 7.317 4.752 ( -0.678 0.836 -3.848) 3.996 4.778 ( 2.915 7.782 7.046) 10.895 5.015 ( 1.910 -0.928 -6.003) 6.368 5.043 ( -1.221 -0.222 -3.188) 3.421 5.274 ( 2.803 -2.434 4.543) 5.867 5.398 ( 8.262 -8.805 3.371) 12.536 5.579 ( 3.611 0.895 -0.256) 3.729 5.747 ( 1.335 0.633 -1.358) 2.007 5.792 ( 3.215 -1.715 -0.316) 3.657 5.817 ( 0.913 0.027 -0.057) 0.915 5.882 ( 4.638 5.128 -2.666) 7.410 6.228 ( -0.269 -4.899 -6.574) 8.203 6.381 ( -5.351 1.626 -2.077) 5.966 6.509 ( -4.313 0.111 -3.722) 5.698 6.690 ( 1.256 0.583 -1.332) 1.922 6.859 ( 4.052 -0.782 3.412) 5.355 7.044 ( 1.688 -0.728 1.568) 2.416 7.157 ( -0.747 -1.343 4.851) 5.089 7.641 ( 0.962 11.114 -0.928) 11.194 8.069 ( 10.506 15.046 2.309) 18.495 8.215 ( 1.865 0.100 2.923) 3.469 8.381 ( 2.056 -3.322 -0.749) 3.978 8.502 ( 3.153 -9.479 -7.432) 12.451 8.762 ( -2.870 -9.066 7.217) 11.938 9.139 ( 4.163 9.337 -5.692) 11.701 9.556 ( -1.510 -0.483 -0.746) 1.752 10.052 ( 0.184 9.468 2.713) 9.851 10.943 ( 3.667 -11.667 -3.260) 12.656 11.304 ( 1.145 2.654 3.861) 4.823 11.380 ( -1.475 1.637 -2.892) 3.636 11.638 ( -3.530 0.973 -5.878) 6.925 11.761 ( 4.706 7.265 5.892) 10.471 11.854 ( 2.080 -0.208 -4.804) 5.239 12.186 ( 1.940 0.903 -4.291) 4.795 12.359 ( -4.959 1.840 0.694) 5.335 12.608 ( -1.446 -1.289 -0.549) 2.014 12.623 ( -4.440 -0.112 -0.586) 4.480 12.835 ( 1.837 -0.768 -1.833) 2.706 12.924 ( -4.050 5.945 6.729) 9.851 13.652 ( -3.702 -16.551 9.653) 19.514 14.593 ( -8.594 1.315 -8.471) 12.139 14.693 ( 2.543 0.948 -3.238) 4.225 15.180 ( 3.082 7.417 -1.186) 8.118 15.417 ( 0.480 2.443 -3.012) 3.908 15.656 ( -7.034 -3.973 -8.626) 11.818 15.815 ( 3.897 -3.887 -4.978) 7.421 15.997 ( 1.028 3.312 0.681) 3.534 16.361 ( -6.597 -11.482 8.628) 15.805 17.105 ( 3.599 14.810 5.234) 16.114 17.990 ( 1.146 -11.827 1.487) 11.975 18.110 ( -1.169 -1.310 2.853) 3.350 18.127 ( -0.743 -0.534 1.362) 1.641 ======================= Grid point 62 (33/111) ======================= q-point: (-0.11 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -13.912 21.583 -2.122) 25.766 0.836 ( -21.738 16.072 11.654) 29.439 1.395 ( -32.722 24.671 19.016) 45.177 1.861 ( -1.175 -3.548 2.788) 4.663 1.993 ( 1.379 -2.030 1.332) 2.793 2.061 ( -2.442 -0.089 3.243) 4.061 2.194 ( 3.240 -13.154 -6.341) 14.957 2.478 ( -3.705 -1.152 4.164) 5.691 2.643 ( -2.678 -2.486 -8.010) 8.804 2.806 ( 1.662 2.511 3.333) 4.492 2.988 ( 5.016 7.496 2.742) 9.427 3.108 ( -2.726 5.620 4.168) 7.509 3.146 ( -10.996 8.272 -1.728) 13.868 3.357 ( 2.271 -2.933 -2.001) 4.215 3.508 ( 1.053 -1.174 -1.240) 2.006 3.615 ( -2.899 -4.286 0.379) 5.188 3.642 ( 0.948 0.837 -5.760) 5.898 3.691 ( 2.754 -1.832 2.069) 3.902 3.807 ( 3.343 -1.146 -2.656) 4.421 3.922 ( 1.673 0.257 -0.113) 1.697 4.162 ( 0.655 0.245 -3.257) 3.331 4.265 ( -1.481 -1.614 -3.972) 4.536 4.406 ( 1.776 -0.645 3.263) 3.770 4.526 ( 2.485 -9.092 -1.963) 9.628 4.669 ( 1.702 3.569 1.701) 4.305 4.720 ( -0.288 -5.723 0.225) 5.734 4.732 ( -0.437 -2.217 0.216) 2.270 4.917 ( 2.261 5.524 6.704) 8.977 4.922 ( -1.654 -1.483 -6.311) 6.690 5.068 ( 1.140 5.199 3.928) 6.615 5.362 ( 3.014 -3.163 2.061) 4.831 5.573 ( 4.286 -5.597 3.851) 8.033 5.632 ( 3.071 -0.192 1.442) 3.398 5.708 ( -1.249 1.468 -2.993) 3.560 5.779 ( -0.646 0.840 -0.616) 1.226 5.854 ( 2.885 -1.446 0.194) 3.233 5.998 ( 8.523 2.902 1.301) 9.097 6.185 ( -0.737 -1.384 -3.246) 3.605 6.287 ( -1.079 2.520 0.545) 2.795 6.403 ( -1.947 3.793 -3.380) 5.440 6.699 ( 3.003 0.846 -1.739) 3.571 6.933 ( 1.730 -0.419 0.408) 1.827 7.016 ( -0.977 -0.292 -1.739) 2.016 7.218 ( -6.533 -5.679 8.972) 12.467 7.645 ( 0.274 9.821 -0.038) 9.825 8.215 ( 2.550 6.085 -0.289) 6.604 8.333 ( 11.661 6.632 -2.473) 13.641 8.402 ( 1.309 -2.720 -0.681) 3.095 8.467 ( 2.848 -9.632 -7.893) 12.774 8.795 ( -2.444 -7.469 6.713) 10.336 9.142 ( 2.995 8.215 -4.913) 10.030 9.513 ( -1.686 -1.294 -1.110) 2.398 10.094 ( 0.308 9.912 4.270) 10.797 10.966 ( 3.169 -10.163 -3.184) 11.111 11.306 ( -0.948 1.097 -6.785) 6.938 11.387 ( 2.723 -2.686 5.212) 6.465 11.556 ( -0.079 4.181 0.147) 4.184 11.868 ( 5.511 3.201 -1.095) 6.467 11.951 ( 10.711 8.462 6.564) 15.147 12.194 ( 3.573 1.653 -2.366) 4.593 12.301 ( -2.990 0.978 1.227) 3.377 12.535 ( -6.036 -4.318 1.456) 7.563 12.594 ( 0.795 4.636 -0.953) 4.799 12.847 ( 1.970 -1.335 -1.310) 2.716 12.934 ( -2.466 5.194 4.262) 7.157 13.547 ( -20.656 -20.841 -1.505) 29.382 14.439 ( -2.466 2.269 -1.351) 3.613 14.694 ( 0.472 -4.098 2.323) 4.735 15.204 ( -0.621 5.481 -1.956) 5.852 15.428 ( -0.033 2.489 0.872) 2.637 15.519 ( 6.720 3.364 -4.362) 8.689 15.820 ( 4.249 -2.816 -6.025) 7.892 16.037 ( 3.219 3.889 0.752) 5.104 16.327 ( -8.478 -8.453 8.961) 14.954 17.170 ( 1.293 11.923 -1.244) 12.058 17.957 ( -7.685 -14.184 -0.479) 16.139 18.103 ( -3.255 -1.895 1.275) 3.977 18.123 ( -1.016 -0.432 0.673) 1.293 ======================= Grid point 63 (34/111) ======================= q-point: ( 0.00 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -3.691 24.969 2.280) 25.343 1.199 ( 6.814 23.492 7.185) 25.494 1.566 ( -6.321 -19.923 6.482) 21.883 1.702 ( 7.137 -21.905 -2.587) 23.183 1.935 ( 3.559 10.148 9.640) 14.442 2.010 ( 3.284 -1.390 4.873) 6.039 2.160 ( -5.163 11.765 15.381) 20.041 2.389 ( -2.633 -7.698 12.497) 14.912 2.676 ( 1.140 10.689 -4.993) 11.853 2.901 ( -3.004 -5.024 4.579) 7.432 3.068 ( 1.347 -0.268 3.288) 3.563 3.114 ( 3.004 -3.063 4.399) 6.144 3.274 ( 2.218 3.349 -5.490) 6.803 3.307 ( 3.737 0.133 -3.849) 5.366 3.456 ( 0.058 -0.740 -1.400) 1.585 3.496 ( -2.044 -4.144 1.022) 4.732 3.650 ( -0.987 2.805 0.061) 2.974 3.712 ( -2.051 -1.890 0.515) 2.836 3.890 ( 3.094 5.356 -1.366) 6.334 3.985 ( 8.146 -0.830 -2.563) 8.580 4.071 ( -3.795 1.761 -3.468) 5.434 4.217 ( -2.679 -10.402 -6.286) 12.446 4.319 ( 3.507 5.284 -4.505) 7.780 4.468 ( -0.431 -7.210 -7.710) 10.565 4.572 ( 1.311 1.548 4.674) 5.096 4.638 ( -4.036 -3.674 0.916) 5.534 4.823 ( -0.815 4.096 3.807) 5.651 4.892 ( 0.294 -2.306 4.512) 5.076 5.029 ( -5.280 8.407 -2.289) 10.188 5.161 ( -1.520 -1.571 1.660) 2.745 5.300 ( -4.404 0.698 -0.389) 4.475 5.423 ( -6.454 -8.788 3.367) 11.412 5.665 ( 0.275 2.168 -3.255) 3.921 5.722 ( 1.939 -3.082 -2.056) 4.182 5.774 ( 0.444 2.265 -2.664) 3.525 5.818 ( -0.122 -2.330 -2.792) 3.639 6.149 ( 0.734 4.357 0.387) 4.435 6.218 ( 5.581 -1.336 2.968) 6.461 6.354 ( 0.490 0.121 2.003) 2.065 6.383 ( 0.451 -2.472 4.777) 5.398 6.853 ( 6.508 4.128 -3.610) 8.511 6.916 ( 1.387 -1.709 -2.724) 3.502 7.019 ( -3.399 2.162 1.985) 4.491 7.064 ( -6.830 -2.202 3.352) 7.921 7.885 ( 0.848 14.314 -5.054) 15.204 8.161 ( 0.724 -11.109 -7.609) 13.485 8.284 ( 1.096 0.348 -1.295) 1.732 8.337 ( 0.140 -3.395 -1.093) 3.570 8.527 ( -0.758 6.476 -0.643) 6.551 8.666 ( -1.798 -7.720 4.585) 9.157 9.291 ( 1.729 7.497 -3.867) 8.611 9.424 ( 1.779 -5.694 -2.442) 6.446 10.405 ( -0.723 15.597 3.411) 15.982 10.725 ( 0.533 -15.200 0.363) 15.213 11.259 ( 0.635 2.274 -3.677) 4.370 11.321 ( 0.980 -4.051 -2.423) 4.821 11.726 ( 1.631 5.787 3.407) 6.910 11.849 ( 1.268 -6.169 3.334) 7.126 12.272 ( 3.612 2.704 -0.105) 4.513 12.301 ( -0.057 1.290 1.009) 1.639 12.349 ( 5.322 -1.372 1.345) 5.658 12.371 ( -1.251 -2.095 0.524) 2.496 12.744 ( 2.880 5.387 1.727) 6.348 12.836 ( 2.750 -3.492 0.860) 4.527 12.973 ( -7.715 2.079 -1.861) 8.204 13.004 ( -10.868 -1.118 -1.472) 11.024 14.583 ( 5.566 5.398 8.191) 11.279 14.703 ( 5.212 -6.145 9.893) 12.759 15.325 ( 4.235 9.298 -7.471) 12.657 15.468 ( 4.829 -1.527 -5.931) 7.799 15.612 ( -0.530 -0.349 1.266) 1.416 15.708 ( -0.431 -7.768 4.205) 8.843 16.170 ( 2.183 1.183 2.945) 3.852 16.207 ( -2.244 -2.818 6.039) 7.031 17.338 ( -4.882 11.377 -5.172) 13.417 17.551 ( -7.158 -9.614 -3.644) 12.527 18.089 ( -0.584 0.762 0.117) 0.967 18.104 ( -0.614 -0.641 0.171) 0.904 ======================= Grid point 64 (35/111) ======================= q-point: ( 0.11 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 6.833 13.971 7.660) 17.336 1.458 ( 7.282 -0.126 4.828) 8.738 1.577 ( 8.601 1.011 5.593) 10.309 1.908 ( 13.123 -16.059 4.190) 21.157 2.058 ( 6.695 5.857 2.083) 9.136 2.166 ( 7.560 -4.546 2.956) 9.304 2.381 ( 2.372 20.512 24.150) 31.774 2.512 ( 3.652 2.928 7.569) 8.900 2.694 ( 2.615 2.745 5.126) 6.376 2.872 ( -6.705 -5.908 6.418) 11.003 3.117 ( -2.268 3.556 2.258) 4.784 3.215 ( 5.279 8.423 -0.028) 9.941 3.279 ( 5.354 -9.900 -4.220) 12.020 3.376 ( 8.033 -3.082 -3.636) 9.341 3.452 ( -0.568 -2.746 0.478) 2.844 3.491 ( 0.032 -3.048 1.437) 3.370 3.570 ( -5.270 6.053 -3.643) 8.814 3.677 ( 0.492 -2.921 -2.410) 3.818 3.854 ( -3.559 4.564 2.117) 6.163 4.026 ( -4.932 -4.105 0.112) 6.418 4.042 ( 0.422 -5.575 -5.558) 7.884 4.077 ( 2.014 -2.992 -10.044) 10.672 4.358 ( -0.531 -0.128 -2.097) 2.167 4.360 ( -3.832 1.705 1.935) 4.619 4.569 ( 0.365 3.946 -1.327) 4.179 4.708 ( 8.406 -8.405 1.194) 11.947 4.758 ( -7.386 7.341 -0.971) 10.458 4.868 ( -6.900 -2.119 1.848) 7.450 5.012 ( 3.582 6.416 1.754) 7.555 5.162 ( -6.916 7.019 0.146) 9.854 5.208 ( 0.675 -10.323 3.560) 10.941 5.307 ( -8.645 -7.509 1.416) 11.538 5.615 ( -1.307 2.425 -4.819) 5.550 5.690 ( -2.309 -3.129 -4.292) 5.792 5.719 ( -2.388 1.231 -4.261) 5.038 5.766 ( -1.867 -4.572 -2.414) 5.497 6.199 ( 1.173 6.988 5.611) 9.038 6.319 ( 2.617 -2.656 2.712) 4.610 6.406 ( 1.563 -1.204 3.928) 4.395 6.443 ( 1.502 -2.972 0.779) 3.420 6.807 ( -6.833 1.389 -5.024) 8.594 6.815 ( -7.442 0.685 -4.422) 8.684 7.016 ( 2.003 4.944 1.814) 5.635 7.094 ( 4.920 -2.718 1.243) 5.757 7.845 ( 1.292 13.017 -5.363) 14.138 8.097 ( 1.426 -9.815 -6.944) 12.107 8.267 ( -0.342 0.085 -3.024) 3.045 8.317 ( -0.766 -3.247 -1.762) 3.773 8.473 ( -5.706 9.636 2.005) 11.377 8.668 ( -4.481 -9.767 5.419) 12.035 9.289 ( 3.545 8.473 -4.644) 10.292 9.448 ( 4.099 -7.186 -2.832) 8.744 10.408 ( -3.613 15.224 4.070) 16.168 10.719 ( -1.851 -14.717 0.878) 14.859 11.261 ( 1.849 2.191 -0.731) 2.958 11.316 ( 0.430 -3.284 -1.012) 3.464 11.769 ( 0.842 5.744 0.489) 5.826 11.890 ( 0.285 -6.375 1.582) 6.574 12.240 ( -6.957 2.533 2.594) 7.845 12.278 ( -3.652 -1.083 1.781) 4.205 12.389 ( 4.100 4.841 1.626) 6.549 12.480 ( 2.943 -3.916 2.165) 5.355 12.760 ( -4.358 4.336 -1.646) 6.365 12.835 ( -1.227 1.635 -0.956) 2.256 12.884 ( 3.649 0.106 1.485) 3.941 12.975 ( 6.164 -5.092 -2.569) 8.398 14.813 ( 8.198 5.255 10.688) 14.459 14.904 ( 3.827 -2.544 10.326) 11.303 15.331 ( 4.126 8.445 -5.169) 10.726 15.491 ( 3.933 -1.695 -3.879) 5.778 15.578 ( -0.248 -0.301 -4.215) 4.233 15.734 ( -0.807 -9.845 2.158) 10.111 16.240 ( -0.166 -0.219 7.007) 7.013 16.250 ( -2.007 -1.146 8.499) 8.807 17.178 ( -5.134 12.103 -8.219) 15.505 17.412 ( -1.792 -11.147 -7.530) 13.571 18.089 ( 0.123 0.538 0.394) 0.678 18.100 ( -0.117 -0.524 0.262) 0.597 ======================= Grid point 65 (36/111) ======================= q-point: ( 0.22 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 7.747 3.750 8.587) 12.158 1.528 ( 2.256 -8.486 2.687) 9.182 1.903 ( 15.306 12.745 4.545) 20.430 2.123 ( 9.336 -2.605 2.483) 10.006 2.270 ( 8.271 4.304 10.071) 13.724 2.376 ( 13.826 -4.076 2.666) 14.659 2.477 ( 4.045 16.985 -2.758) 17.677 2.773 ( 2.908 -4.032 7.627) 9.104 2.831 ( 3.511 -1.640 6.786) 7.814 2.857 ( -2.218 1.213 11.379) 11.657 3.055 ( -1.940 8.425 -3.322) 9.262 3.207 ( -0.958 4.810 -4.809) 6.868 3.330 ( -5.297 1.490 -2.154) 5.909 3.350 ( 0.680 -8.043 1.463) 8.204 3.470 ( -1.420 -1.597 4.288) 4.791 3.497 ( -1.013 -2.722 1.400) 3.224 3.570 ( 7.188 -4.827 -5.102) 10.050 3.618 ( -3.923 -7.360 -5.769) 10.141 3.834 ( -0.063 0.886 -7.360) 7.414 3.887 ( -0.337 -2.502 -1.748) 3.071 4.033 ( 1.093 1.562 2.645) 3.260 4.078 ( 2.869 -3.665 0.121) 4.656 4.266 ( -4.670 3.792 2.538) 6.530 4.362 ( -2.220 -4.808 3.889) 6.571 4.592 ( -0.909 8.717 -3.012) 9.267 4.678 ( 0.112 5.390 0.858) 5.459 4.778 ( -3.601 -3.750 1.883) 5.529 4.819 ( -0.679 -4.724 2.690) 5.478 5.072 ( -0.167 4.103 0.763) 4.177 5.088 ( 2.889 -1.404 -1.223) 3.437 5.227 ( -0.899 -1.703 2.895) 3.477 5.309 ( 2.416 -6.273 6.139) 9.103 5.529 ( -2.730 2.119 -4.137) 5.390 5.579 ( -4.482 -0.841 -3.890) 5.994 5.621 ( -3.047 1.581 -4.160) 5.393 5.718 ( -1.788 -8.637 -0.910) 8.867 6.256 ( -1.450 6.508 2.069) 6.981 6.349 ( -1.173 -2.136 -1.621) 2.927 6.414 ( -4.329 -0.359 -0.953) 4.448 6.453 ( -3.985 -2.875 2.026) 5.315 6.629 ( -5.797 1.025 -4.895) 7.656 6.638 ( -3.775 -0.117 -3.283) 5.005 7.080 ( 3.176 7.039 1.062) 7.795 7.192 ( 4.791 -3.928 1.169) 6.305 7.819 ( 2.378 12.288 -5.082) 13.508 8.067 ( 3.472 -9.993 -6.028) 12.176 8.213 ( -2.100 1.787 -2.639) 3.817 8.276 ( -2.331 -1.960 -0.777) 3.143 8.394 ( -7.159 9.463 3.297) 12.316 8.634 ( -7.128 -12.329 6.041) 15.470 9.304 ( 4.819 9.976 -5.562) 12.397 9.489 ( 4.540 -7.917 -3.255) 9.689 10.381 ( -4.944 15.221 4.488) 16.622 10.692 ( -2.475 -14.731 1.056) 14.975 11.283 ( 0.420 0.971 0.588) 1.210 11.310 ( -0.293 -1.627 -0.306) 1.681 11.769 ( 0.501 6.478 -1.992) 6.796 11.893 ( -0.580 -6.172 -0.380) 6.211 12.140 ( -8.922 6.396 4.950) 12.042 12.258 ( -2.447 -4.499 2.437) 5.672 12.463 ( 2.878 3.019 1.291) 4.366 12.514 ( -0.064 -2.529 0.683) 2.621 12.699 ( 2.732 6.828 -5.454) 9.156 12.826 ( 1.931 -3.057 -2.422) 4.352 12.988 ( 3.667 1.663 4.363) 5.937 13.072 ( 5.953 -5.967 0.391) 8.438 15.012 ( -1.215 5.790 5.568) 8.125 15.034 ( 5.910 2.378 6.754) 9.284 15.333 ( 0.341 3.621 -1.359) 3.882 15.481 ( -0.753 -9.620 -5.183) 10.953 15.578 ( 7.376 6.482 -3.916) 10.571 15.748 ( 3.269 -8.850 -2.231) 9.694 16.309 ( -5.120 1.623 13.293) 14.337 16.329 ( -1.953 -0.624 12.481) 12.648 17.005 ( -3.769 15.531 -9.814) 18.755 17.329 ( 3.282 -16.300 -10.454) 19.641 18.098 ( 0.217 0.260 0.641) 0.725 18.104 ( 0.065 -0.301 0.483) 0.572 ======================= Grid point 66 (37/111) ======================= q-point: ( 0.33 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 3.042 0.229 5.366) 6.173 1.614 ( 2.882 -4.194 3.966) 6.451 2.109 ( 9.447 12.513 -3.186) 15.999 2.280 ( 5.155 -2.243 2.102) 6.002 2.447 ( 0.862 14.708 7.984) 16.758 2.534 ( 7.330 8.781 -3.036) 11.834 2.674 ( 11.961 5.080 -0.702) 13.014 2.765 ( -0.015 -1.039 3.270) 3.431 2.831 ( -3.060 -1.444 -5.991) 6.880 2.931 ( 6.819 -11.963 -2.366) 13.972 3.076 ( 1.821 10.838 -4.430) 11.849 3.161 ( -5.362 1.955 4.765) 7.435 3.236 ( -5.334 -1.486 7.701) 9.485 3.333 ( -2.500 -8.947 -3.987) 10.109 3.416 ( -4.505 0.760 2.323) 5.125 3.529 ( -1.587 -6.243 0.216) 6.445 3.542 ( -1.179 -5.737 3.592) 6.870 3.590 ( -0.404 -7.389 2.311) 7.753 3.763 ( 1.072 5.797 -6.024) 8.429 3.877 ( 2.902 -5.057 -4.555) 7.399 4.108 ( 2.016 4.772 3.715) 6.375 4.184 ( 6.301 -2.021 2.197) 6.973 4.275 ( 1.060 4.392 2.717) 5.272 4.417 ( 0.929 -7.650 6.343) 9.980 4.517 ( -2.777 7.135 -2.195) 7.965 4.640 ( -2.317 -3.519 -1.148) 4.367 4.768 ( -6.628 1.910 2.954) 7.504 4.805 ( -1.587 -3.318 3.092) 4.805 5.077 ( 3.118 2.478 -3.846) 5.536 5.161 ( 6.370 -5.438 -3.256) 8.986 5.314 ( 4.372 5.553 4.553) 8.407 5.410 ( 1.509 -3.258 4.580) 5.820 5.459 ( -1.343 1.236 -1.331) 2.259 5.488 ( -2.936 -1.072 -0.280) 3.138 5.571 ( 1.280 2.555 0.566) 2.913 5.701 ( -0.214 -9.824 2.023) 10.033 6.118 ( -11.764 0.964 -6.471) 13.461 6.131 ( -13.673 -0.653 -8.353) 16.035 6.341 ( -3.094 4.094 -1.212) 5.273 6.391 ( -0.630 -0.996 -2.183) 2.480 6.583 ( 1.331 2.306 0.512) 2.711 6.646 ( 0.681 -3.719 3.607) 5.226 7.134 ( 2.093 8.019 0.412) 8.298 7.267 ( 2.993 -4.977 0.344) 5.818 7.814 ( 3.581 12.508 -5.094) 13.972 8.077 ( 4.849 -11.033 -5.838) 13.391 8.157 ( -2.305 5.301 0.054) 5.781 8.233 ( -2.843 0.622 1.232) 3.160 8.311 ( -6.338 5.347 2.397) 8.631 8.567 ( -8.845 -14.428 6.561) 18.150 9.325 ( 5.312 11.090 -6.271) 13.804 9.524 ( 3.996 -8.025 -3.501) 9.624 10.346 ( -4.946 15.504 4.379) 16.852 10.663 ( -2.129 -15.046 0.806) 15.217 11.283 ( -0.700 0.861 0.130) 1.117 11.304 ( -0.019 -1.140 -0.227) 1.163 11.755 ( 1.019 6.299 -2.567) 6.878 11.868 ( -1.225 -5.160 -1.305) 5.462 12.060 ( -6.664 7.395 4.129) 10.777 12.239 ( -3.337 -8.831 2.904) 9.877 12.512 ( 1.240 2.221 -1.115) 2.777 12.520 ( 2.403 0.543 0.334) 2.486 12.722 ( 6.262 5.813 -5.405) 10.110 12.831 ( 1.681 -2.862 -2.766) 4.320 13.078 ( 0.406 2.322 5.657) 6.129 13.169 ( 3.828 -6.668 2.212) 8.000 14.991 ( -3.608 11.514 -0.500) 12.076 15.146 ( 3.317 -1.237 -0.259) 3.550 15.322 ( -0.935 -2.343 -0.562) 2.585 15.388 ( -1.066 -8.557 -6.795) 10.979 15.701 ( 9.758 4.200 -1.721) 10.761 15.797 ( 5.755 -5.078 -3.011) 8.245 16.344 ( -10.449 4.943 16.092) 19.813 16.424 ( -8.097 -2.875 17.888) 19.845 16.865 ( 1.851 21.398 -10.525) 23.918 17.301 ( 7.188 -20.929 -10.350) 24.430 18.107 ( -0.040 0.122 0.766) 0.777 18.110 ( -0.067 -0.160 0.642) 0.665 ======================= Grid point 67 (38/111) ======================= q-point: (-0.56 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -1.681 0.580 1.709) 2.466 1.665 ( -0.855 -3.520 2.261) 4.270 2.187 ( 5.939 13.992 -5.056) 16.020 2.341 ( 1.207 -1.136 -0.425) 1.711 2.404 ( -8.427 12.863 -9.271) 17.956 2.512 ( -0.978 6.607 -1.237) 6.792 2.708 ( -1.234 2.011 -2.931) 3.763 2.840 ( 9.711 -3.914 -2.114) 10.682 2.874 ( 4.159 3.303 -4.744) 7.122 2.982 ( 1.671 -2.680 -6.171) 6.932 3.026 ( 1.773 3.834 -0.521) 4.256 3.200 ( -0.494 2.257 6.764) 7.148 3.231 ( 2.338 -5.031 4.061) 6.875 3.349 ( -3.193 0.498 7.596) 8.255 3.373 ( -3.401 -5.531 6.607) 9.264 3.510 ( -2.993 0.840 2.096) 3.749 3.532 ( -1.655 -12.593 5.250) 13.743 3.634 ( -0.728 -8.743 3.686) 9.516 3.740 ( 0.764 8.625 -1.408) 8.772 3.892 ( 2.054 -5.411 -1.107) 5.892 4.175 ( 1.779 4.566 1.019) 5.005 4.258 ( 2.341 -2.504 -2.993) 4.551 4.300 ( -0.041 4.571 0.356) 4.585 4.436 ( -3.193 -4.994 1.020) 6.015 4.487 ( -1.791 3.620 1.504) 4.310 4.619 ( 1.088 -7.523 -2.695) 8.065 4.698 ( -4.962 4.272 3.914) 7.628 4.787 ( -3.008 -5.088 3.347) 6.793 5.069 ( 3.303 5.037 -7.492) 9.613 5.189 ( 2.761 -5.948 -6.093) 8.951 5.362 ( -1.872 3.684 -2.069) 4.622 5.415 ( -1.936 -0.963 -2.176) 3.068 5.459 ( -0.947 1.208 1.667) 2.266 5.483 ( -0.792 -0.500 2.955) 3.099 5.668 ( 1.280 -0.084 1.438) 1.927 5.721 ( -4.320 -4.692 -0.117) 6.379 5.900 ( 0.262 1.092 1.977) 2.274 5.939 ( 1.955 -2.678 2.436) 4.115 6.288 ( -0.394 4.865 -3.318) 5.901 6.359 ( 0.914 -2.337 -4.262) 4.945 6.626 ( 0.580 2.685 3.238) 4.247 6.690 ( -0.927 -3.446 4.469) 5.719 7.150 ( 0.073 8.180 -1.057) 8.248 7.291 ( 0.338 -5.559 -1.370) 5.735 7.828 ( 5.280 13.271 -5.739) 15.392 8.078 ( 1.615 -3.439 -3.158) 4.940 8.159 ( 0.511 4.381 1.290) 4.595 8.206 ( -2.239 3.300 1.803) 4.377 8.261 ( -0.997 -3.575 1.185) 3.896 8.494 ( -8.584 -15.710 7.308) 19.336 9.343 ( 5.067 11.460 -6.621) 14.172 9.543 ( 2.896 -7.716 -3.654) 9.015 10.315 ( -4.108 15.842 3.866) 16.817 10.640 ( -1.319 -15.503 0.345) 15.563 11.271 ( -0.174 1.639 -0.544) 1.736 11.306 ( 0.489 -1.665 0.070) 1.737 11.748 ( 1.478 5.026 -2.686) 5.888 11.831 ( -1.022 -3.442 -1.743) 3.991 12.008 ( -4.051 7.631 2.783) 9.077 12.214 ( -2.770 -10.689 1.973) 11.217 12.519 ( 1.437 4.481 -1.562) 4.958 12.561 ( 1.456 0.071 0.552) 1.558 12.768 ( 5.746 2.641 -5.122) 8.138 12.819 ( 0.766 -1.275 -3.165) 3.498 13.118 ( -3.086 4.112 6.093) 7.973 13.243 ( 1.142 -8.137 3.869) 9.082 14.913 ( -1.759 11.794 -4.696) 12.815 15.136 ( -1.133 -8.190 -5.619) 9.997 15.268 ( 1.034 0.833 -5.871) 6.019 15.359 ( 2.557 -5.881 -2.496) 6.881 15.832 ( 7.082 1.054 -0.889) 7.215 15.858 ( 4.997 -1.521 -2.997) 6.022 16.287 ( -14.783 5.766 11.695) 19.712 16.377 ( -15.366 -2.498 10.498) 18.776 16.904 ( 8.607 21.617 0.806) 23.282 17.354 ( 9.078 -21.629 -4.840) 23.951 18.113 ( -0.351 0.092 0.869) 0.942 18.115 ( -0.295 -0.105 0.771) 0.832 ======================= Grid point 68 (39/111) ======================= q-point: (-0.44 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -5.659 2.288 -0.610) 6.134 1.646 ( -3.615 -6.120 1.767) 7.324 2.127 ( -10.477 13.210 -11.801) 20.580 2.191 ( 1.467 14.439 -6.250) 15.801 2.271 ( -8.105 -1.621 -3.251) 8.882 2.416 ( -0.285 -4.267 -9.128) 10.081 2.755 ( 2.067 12.646 -2.788) 13.114 2.788 ( -0.742 4.574 -1.592) 4.900 2.880 ( -1.446 -1.957 -1.125) 2.680 3.035 ( 4.229 -5.314 -0.857) 6.845 3.068 ( 3.758 0.441 0.261) 3.793 3.146 ( -5.632 -10.094 0.663) 11.578 3.345 ( -4.500 3.440 6.243) 8.430 3.400 ( 1.753 2.405 4.674) 5.541 3.433 ( -2.463 -2.587 5.622) 6.661 3.495 ( -0.500 -0.612 4.362) 4.433 3.574 ( -1.283 -2.777 5.734) 6.499 3.686 ( 3.925 -8.922 2.565) 10.079 3.767 ( 4.059 5.185 1.010) 6.662 3.896 ( -0.754 -4.479 -0.758) 4.604 4.127 ( -6.247 4.096 -1.998) 7.733 4.207 ( -2.202 -0.824 -2.490) 3.424 4.349 ( 0.276 -1.019 5.091) 5.199 4.367 ( -7.165 -4.558 5.137) 9.925 4.483 ( 3.040 3.437 -3.192) 5.589 4.585 ( 0.150 -7.332 -6.285) 9.658 4.698 ( -1.332 5.181 5.437) 7.627 4.779 ( -2.768 -2.943 4.042) 5.715 5.058 ( 4.441 2.361 -5.150) 7.199 5.105 ( -2.746 -0.479 -9.088) 9.506 5.238 ( -4.218 0.303 -7.433) 8.552 5.277 ( -3.697 -3.264 -7.737) 9.175 5.482 ( 1.630 1.904 2.071) 3.251 5.526 ( 2.387 -1.289 3.522) 4.445 5.651 ( -0.803 -0.511 3.277) 3.412 5.683 ( -0.012 -3.017 1.507) 3.372 6.076 ( 7.427 3.976 0.897) 8.472 6.144 ( 9.802 -3.679 3.783) 11.132 6.287 ( 4.149 2.002 2.116) 5.069 6.342 ( 2.378 -2.958 -1.407) 4.048 6.661 ( -0.579 2.517 3.318) 4.205 6.711 ( -1.828 -2.517 4.029) 5.090 7.116 ( -1.520 7.823 -2.463) 8.342 7.249 ( -2.024 -5.267 -3.252) 6.512 7.865 ( 6.742 13.991 -6.262) 16.745 8.088 ( 1.823 3.443 0.248) 3.903 8.154 ( -1.804 4.432 2.080) 5.218 8.230 ( 2.945 -1.233 -0.331) 3.209 8.291 ( 2.399 -5.982 0.668) 6.480 8.454 ( -5.657 -15.555 7.824) 18.308 9.349 ( 4.245 11.118 -6.512) 13.566 9.541 ( 1.659 -7.190 -3.708) 8.258 10.296 ( -2.704 16.096 3.187) 16.630 10.628 ( -0.247 -15.961 -0.092) 15.963 11.274 ( 0.734 2.565 0.474) 2.710 11.328 ( 1.066 -2.616 1.707) 3.301 11.743 ( 2.041 3.607 -3.886) 5.682 11.797 ( -0.189 -1.998 -3.022) 3.627 11.983 ( -2.080 8.356 1.736) 8.784 12.189 ( -1.724 -9.672 0.316) 9.829 12.519 ( -0.039 4.146 -0.981) 4.261 12.572 ( -0.983 -0.933 0.704) 1.527 12.787 ( 1.320 0.988 -4.577) 4.865 12.798 ( 2.884 -0.406 -4.016) 4.961 13.114 ( -5.348 6.933 6.597) 10.963 13.291 ( -1.455 -10.331 5.766) 11.920 14.840 ( 0.468 9.005 -6.949) 11.384 15.009 ( -3.352 -7.694 -9.514) 12.687 15.256 ( 3.669 5.586 -4.385) 7.994 15.391 ( 3.879 -6.765 -1.639) 7.969 15.872 ( 0.769 1.679 -5.205) 5.523 15.898 ( 0.990 -0.990 -0.774) 1.600 16.127 ( -12.945 5.026 4.670) 14.650 16.225 ( -10.562 -4.476 4.720) 12.404 17.097 ( 6.791 18.441 8.823) 21.541 17.482 ( 7.440 -18.939 1.989) 20.445 18.114 ( -0.681 0.170 0.985) 1.210 18.117 ( -0.474 -0.150 0.915) 1.041 ======================= Grid point 69 (40/111) ======================= q-point: (-0.33 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -8.704 6.272 0.216) 10.731 1.599 ( -4.628 -8.945 2.625) 10.408 1.810 ( -11.415 15.397 -12.374) 22.814 2.062 ( -7.984 -4.557 -6.701) 11.376 2.131 ( -2.293 8.937 -4.284) 10.173 2.276 ( -5.180 -6.187 -9.390) 12.381 2.666 ( -3.291 6.448 -5.292) 8.968 2.754 ( -2.658 -0.394 -2.730) 3.831 2.880 ( -10.542 3.942 5.392) 12.480 2.940 ( -17.755 0.516 5.884) 18.711 3.047 ( 1.771 6.538 1.357) 6.909 3.178 ( -3.451 0.211 -2.155) 4.074 3.299 ( 5.270 0.768 -2.498) 5.882 3.402 ( -1.470 0.821 5.919) 6.154 3.461 ( 2.579 -3.046 0.871) 4.085 3.494 ( -4.254 -11.717 0.055) 12.466 3.670 ( 3.193 2.319 -2.957) 4.931 3.724 ( 2.347 -1.795 -3.370) 4.482 3.834 ( -6.062 -1.236 0.488) 6.206 3.881 ( 3.880 -3.226 0.691) 5.093 4.061 ( -3.757 2.779 6.497) 8.003 4.177 ( 1.356 -3.835 7.720) 8.726 4.332 ( -2.442 1.187 3.739) 4.620 4.394 ( -1.986 -0.232 3.938) 4.416 4.497 ( 0.976 -2.174 -7.067) 7.458 4.512 ( 3.904 -1.169 -2.321) 4.689 4.782 ( 2.247 4.625 6.921) 8.622 4.832 ( 4.646 -0.248 1.952) 5.046 4.984 ( -0.500 2.444 -5.679) 6.203 5.076 ( 0.852 -4.020 -3.998) 5.733 5.134 ( 0.793 0.151 -1.001) 1.286 5.187 ( -0.565 -5.485 -4.046) 6.839 5.551 ( 3.929 3.244 1.816) 5.409 5.627 ( 4.492 -3.354 3.679) 6.706 5.703 ( 2.572 0.182 2.829) 3.828 5.730 ( 2.347 -2.033 2.805) 4.185 6.070 ( 0.047 6.600 -7.328) 9.862 6.188 ( 0.991 -5.464 -7.422) 9.269 6.425 ( 3.262 0.421 3.078) 4.504 6.459 ( 4.519 -2.972 3.903) 6.670 6.697 ( 1.422 2.327 3.279) 4.265 6.737 ( 0.850 -1.755 4.099) 4.539 7.068 ( -0.780 6.133 -1.379) 6.334 7.169 ( -2.607 -3.832 -3.567) 5.848 7.904 ( 4.932 14.705 -4.996) 16.294 8.148 ( 6.155 -2.309 -3.075) 7.257 8.173 ( 0.677 6.943 4.471) 8.286 8.276 ( 2.552 0.419 0.495) 2.633 8.329 ( 1.333 -6.178 0.066) 6.321 8.481 ( -0.653 -13.274 6.602) 14.840 9.345 ( 3.188 10.277 -5.746) 12.198 9.521 ( 0.659 -6.607 -3.512) 7.511 10.296 ( -0.957 16.135 2.541) 16.361 10.631 ( 0.920 -16.288 -0.354) 16.318 11.308 ( 1.191 3.181 2.710) 4.345 11.371 ( 0.480 -2.866 3.117) 4.261 11.730 ( 2.026 1.418 -5.314) 5.861 11.754 ( 0.565 -0.666 -4.977) 5.053 11.977 ( 0.028 9.488 0.736) 9.516 12.165 ( -0.163 -7.086 -1.516) 7.248 12.486 ( -3.046 3.387 -0.533) 4.586 12.550 ( -2.479 -3.082 0.739) 4.024 12.746 ( -0.017 2.893 -4.135) 5.046 12.799 ( 2.349 -2.149 -4.263) 5.320 13.096 ( -5.833 9.524 7.709) 13.570 13.322 ( -3.607 -12.720 7.869) 15.386 14.771 ( 0.572 3.866 -8.173) 9.059 14.831 ( -4.916 -2.360 -10.629) 11.946 15.293 ( 4.474 8.249 -1.250) 9.467 15.444 ( 3.555 -4.857 -0.774) 6.069 15.761 ( -4.853 -0.168 -6.229) 7.898 15.795 ( -8.419 -2.400 -4.845) 10.005 16.050 ( -1.156 4.315 1.862) 4.840 16.165 ( -2.936 -7.347 3.765) 8.763 17.288 ( 3.630 16.654 9.647) 19.585 17.621 ( 3.710 -16.254 5.715) 17.624 18.112 ( -0.908 0.350 1.146) 1.504 18.119 ( -0.654 -0.311 1.103) 1.319 ======================= Grid point 70 (41/111) ======================= q-point: (-0.22 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -10.480 14.025 2.296) 17.658 1.468 ( -10.643 21.000 -8.017) 24.871 1.589 ( -5.523 -14.641 3.378) 16.008 1.879 ( -5.250 -13.672 -6.145) 15.882 2.034 ( -5.575 3.283 -3.136) 7.189 2.082 ( -6.118 -4.055 -6.867) 10.051 2.414 ( -24.475 13.817 2.832) 28.248 2.588 ( -14.993 -2.167 4.306) 15.749 2.766 ( -4.642 4.814 -1.399) 6.833 2.818 ( -2.483 3.054 5.576) 6.825 3.021 ( -1.023 3.892 -1.041) 4.157 3.142 ( -2.075 -4.392 -2.551) 5.486 3.320 ( 0.358 1.176 -3.514) 3.723 3.393 ( 1.030 -4.609 -4.040) 6.215 3.518 ( 3.082 -1.631 3.545) 4.972 3.539 ( 0.539 -2.587 -0.445) 2.680 3.582 ( -2.383 4.563 0.628) 5.186 3.687 ( -2.556 -3.625 -2.816) 5.254 3.800 ( 3.629 -2.677 -3.556) 5.743 3.834 ( -3.511 -3.739 -1.390) 5.314 4.183 ( 7.069 8.568 4.332) 11.923 4.349 ( 1.032 1.266 0.915) 1.872 4.364 ( -0.821 -1.094 3.497) 3.755 4.392 ( 4.368 -7.239 4.607) 9.628 4.455 ( 1.233 2.148 -4.057) 4.753 4.583 ( 3.148 -5.624 3.782) 7.472 4.814 ( -0.322 4.677 -2.663) 5.391 4.920 ( 1.227 -5.610 -5.459) 7.924 4.970 ( 2.731 9.505 5.891) 11.511 5.086 ( 1.415 1.137 3.400) 3.855 5.195 ( 3.823 -5.006 1.118) 6.397 5.219 ( 4.406 -6.491 7.848) 11.097 5.638 ( 4.344 4.172 0.529) 6.046 5.726 ( 4.014 -4.127 -0.003) 5.758 5.775 ( 1.849 1.549 2.415) 3.413 5.804 ( 1.721 -1.202 2.459) 3.233 5.995 ( 2.074 5.756 -6.488) 8.918 6.113 ( 1.222 -5.970 -7.058) 9.324 6.423 ( -3.540 2.690 -0.617) 4.489 6.481 ( -2.681 -2.675 -0.415) 3.810 6.748 ( 2.726 4.198 -1.682) 5.280 6.824 ( 3.955 -2.906 1.781) 5.221 7.070 ( -0.421 2.425 0.917) 2.626 7.118 ( -1.318 -2.195 2.308) 3.447 7.921 ( 2.735 15.157 -3.481) 15.791 8.193 ( 4.565 -8.598 -3.549) 10.361 8.259 ( 3.440 1.097 -0.382) 3.631 8.331 ( 0.731 -3.364 1.693) 3.837 8.355 ( 4.630 6.732 1.148) 8.251 8.556 ( 1.632 -10.534 5.100) 11.817 9.332 ( 1.934 9.156 -4.507) 10.386 9.489 ( -0.241 -5.973 -3.081) 6.725 10.320 ( 0.773 15.952 2.172) 16.118 10.653 ( 2.185 -16.283 -0.409) 16.434 11.353 ( -0.144 1.987 2.692) 3.349 11.382 ( -1.338 -0.878 -0.698) 1.746 11.676 ( -0.413 2.908 -4.781) 5.611 11.749 ( 2.965 -3.958 -2.055) 5.355 12.014 ( 4.605 10.088 -0.039) 11.090 12.161 ( 2.555 -4.081 -2.367) 5.365 12.417 ( -4.320 3.694 -0.303) 5.692 12.505 ( -3.966 -5.097 0.796) 6.507 12.708 ( 0.581 4.613 -3.408) 5.764 12.790 ( 1.744 -3.338 -3.369) 5.053 13.088 ( -5.627 10.061 8.045) 14.057 13.331 ( -6.685 -14.247 8.420) 17.848 14.630 ( -5.943 2.245 -8.356) 10.497 14.676 ( -1.910 -2.046 -7.373) 7.886 15.370 ( 3.633 10.081 1.448) 10.813 15.466 ( 1.017 1.367 -2.633) 3.136 15.595 ( -5.173 -1.668 -6.686) 8.616 15.670 ( 0.545 -8.865 -3.665) 9.608 16.071 ( 1.116 3.971 1.205) 4.297 16.173 ( -1.766 -6.835 4.089) 8.159 17.410 ( 0.456 15.062 6.256) 16.316 17.708 ( -1.027 -14.630 5.369) 15.618 18.109 ( -1.019 0.432 1.282) 1.693 18.119 ( -0.831 -0.452 1.095) 1.447 ======================= Grid point 71 (42/111) ======================= q-point: (-0.11 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -5.459 23.558 0.673) 24.191 1.230 ( -12.787 24.322 -0.407) 27.482 1.560 ( -4.798 -15.224 7.087) 17.464 1.753 ( -2.964 -23.037 -5.857) 23.954 1.883 ( -9.904 8.131 5.771) 14.054 1.966 ( -1.196 -2.744 -1.178) 3.217 2.168 ( -12.470 11.867 10.033) 19.925 2.404 ( -12.493 -8.254 7.598) 16.791 2.713 ( 1.759 9.312 -5.527) 10.971 2.865 ( 1.335 0.440 3.067) 3.374 3.037 ( 1.793 -1.479 1.816) 2.949 3.070 ( -3.322 -8.189 0.487) 8.851 3.282 ( 0.134 4.933 -1.659) 5.206 3.350 ( -1.403 0.766 -4.916) 5.170 3.481 ( -0.928 0.488 -0.908) 1.387 3.535 ( -3.153 -4.011 -0.291) 5.110 3.641 ( 0.865 2.100 2.515) 3.388 3.689 ( 2.254 -0.758 2.265) 3.284 3.795 ( 7.102 1.736 -4.746) 8.716 3.879 ( 5.777 -4.622 -0.817) 7.444 4.243 ( -7.342 1.556 -5.684) 9.415 4.273 ( 4.986 5.995 -6.866) 10.390 4.340 ( -0.901 -4.753 -2.250) 5.335 4.482 ( 4.225 -0.075 -1.460) 4.470 4.524 ( 0.563 -3.089 4.854) 5.782 4.662 ( -1.764 -5.776 6.186) 8.645 4.788 ( 0.121 4.226 0.097) 4.229 4.861 ( -0.685 -2.989 -1.333) 3.343 5.078 ( 0.566 7.728 3.787) 8.624 5.153 ( 0.013 2.034 4.313) 4.768 5.288 ( 3.944 -1.756 1.796) 4.676 5.390 ( 2.863 -9.368 8.355) 12.875 5.687 ( 1.782 3.208 -1.389) 3.924 5.727 ( -0.472 -0.363 -3.871) 3.917 5.793 ( -0.438 0.784 -1.976) 2.171 5.819 ( 2.113 -1.816 -1.083) 2.989 6.059 ( 7.789 3.300 0.730) 8.491 6.129 ( 4.829 -3.518 -0.833) 6.032 6.347 ( -3.741 3.404 0.478) 5.080 6.410 ( -4.396 -2.346 -0.241) 4.989 6.779 ( 5.559 5.572 -3.593) 8.652 6.882 ( 3.842 -4.230 -1.909) 6.025 7.057 ( -2.609 3.464 1.778) 4.687 7.129 ( -4.932 -3.594 5.605) 8.286 7.917 ( 1.421 15.126 -3.947) 15.697 8.213 ( 3.562 -13.725 -7.012) 15.819 8.272 ( 0.155 2.554 0.267) 2.573 8.339 ( 0.222 -3.881 -0.020) 3.887 8.481 ( 6.215 6.778 0.644) 9.219 8.629 ( 0.627 -8.108 4.332) 9.214 9.311 ( 0.944 7.965 -3.711) 8.838 9.447 ( -0.743 -5.241 -2.747) 5.964 10.365 ( 1.321 15.866 2.555) 16.125 10.693 ( 2.767 -15.909 -0.099) 16.148 11.320 ( -1.316 0.762 -5.312) 5.525 11.344 ( -0.795 -1.681 -1.953) 2.696 11.664 ( 1.203 6.227 1.922) 6.627 11.791 ( 1.601 -5.979 2.409) 6.642 12.141 ( 10.364 6.152 -0.073) 12.053 12.206 ( 5.325 -0.884 -1.208) 5.531 12.349 ( -3.473 3.763 0.054) 5.121 12.440 ( -4.594 -4.895 0.560) 6.737 12.701 ( 1.864 5.366 -1.321) 5.832 12.795 ( 2.350 -3.744 -1.627) 4.711 13.062 ( -6.262 7.302 4.580) 10.654 13.239 ( -13.452 -10.959 3.795) 17.761 14.504 ( -1.723 4.107 -0.580) 4.491 14.598 ( -0.657 -4.997 0.562) 5.071 15.362 ( 0.860 8.742 -6.916) 11.180 15.468 ( 2.305 -0.333 -4.761) 5.300 15.552 ( 3.521 2.339 2.000) 4.676 15.679 ( 0.507 -9.127 1.396) 9.247 16.110 ( 2.114 3.247 1.343) 4.101 16.187 ( -2.242 -5.035 4.814) 7.318 17.429 ( -2.587 13.034 0.442) 13.296 17.686 ( -6.209 -12.640 1.380) 14.150 18.102 ( -1.172 0.528 0.605) 1.421 18.113 ( -0.923 -0.536 0.581) 1.215 ======================= Grid point 90 (43/111) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 1.666 0.000 25.464) 25.519 1.244 ( 2.073 0.000 27.245) 27.324 1.783 ( -6.957 0.000 31.106) 31.874 1.787 ( -9.338 0.000 -1.150) 9.408 2.075 ( 2.936 0.000 1.874) 3.483 2.107 ( -1.603 0.000 -6.982) 7.164 2.234 ( 5.007 0.000 14.576) 15.413 2.509 ( -6.659 0.000 0.876) 6.716 2.825 ( 5.176 0.000 2.204) 5.626 2.826 ( -0.094 0.000 12.723) 12.724 3.015 ( -5.746 0.000 3.077) 6.518 3.070 ( 7.999 0.000 7.316) 10.840 3.231 ( -1.080 0.000 -4.091) 4.231 3.340 ( 8.043 0.000 -13.914) 16.071 3.477 ( 3.167 0.000 9.534) 10.046 3.538 ( -2.110 0.000 1.799) 2.773 3.612 ( 1.360 0.000 -5.475) 5.642 3.652 ( 2.166 0.000 2.117) 3.029 3.919 ( -1.726 0.000 -2.618) 3.136 3.995 ( 2.391 0.000 -0.144) 2.395 4.117 ( -6.247 0.000 6.861) 9.279 4.230 ( 0.794 0.000 -0.120) 0.803 4.431 ( 0.323 0.000 -10.280) 10.285 4.506 ( 0.842 0.000 -4.892) 4.964 4.508 ( -6.421 0.000 -11.799) 13.434 4.663 ( -3.450 0.000 3.016) 4.582 4.711 ( -4.375 0.000 -2.172) 4.884 4.857 ( 16.972 0.000 -1.659) 17.053 4.948 ( -0.873 0.000 -4.387) 4.473 5.061 ( -6.747 0.000 4.810) 8.286 5.345 ( -3.602 0.000 -5.105) 6.248 5.489 ( -2.587 0.000 -7.484) 7.919 5.624 ( 2.823 0.000 0.005) 2.823 5.688 ( -1.286 0.000 -4.495) 4.676 5.894 ( 2.033 0.000 3.875) 4.376 6.010 ( -2.588 0.000 -0.064) 2.588 6.180 ( 3.432 0.000 -1.713) 3.836 6.217 ( 3.406 0.000 2.883) 4.462 6.282 ( 8.487 0.000 5.044) 9.873 6.427 ( 5.293 0.000 -0.491) 5.315 6.693 ( 2.695 0.000 -3.842) 4.693 6.804 ( -6.958 0.000 -4.520) 8.297 6.980 ( 7.831 0.000 -2.245) 8.146 7.079 ( -13.200 0.000 -0.511) 13.210 7.794 ( -3.947 0.000 2.556) 4.702 8.081 ( -1.687 0.000 5.043) 5.318 8.190 ( -4.347 0.000 -0.731) 4.408 8.342 ( 1.491 0.000 -5.518) 5.716 8.422 ( 3.104 0.000 -4.764) 5.686 8.874 ( 4.651 0.000 -9.122) 10.239 9.095 ( -3.655 0.000 8.962) 9.679 9.554 ( 3.413 0.000 -1.667) 3.798 10.189 ( -3.667 0.000 8.054) 8.849 10.943 ( 4.961 0.000 -6.876) 8.479 11.205 ( 2.186 0.000 -1.203) 2.495 11.464 ( -1.108 0.000 -2.293) 2.546 11.587 ( -3.926 0.000 1.763) 4.304 12.035 ( 10.889 0.000 -6.462) 12.662 12.185 ( -0.930 0.000 6.333) 6.401 12.376 ( 12.296 0.000 1.952) 12.450 12.396 ( -2.468 0.000 5.430) 5.964 12.588 ( -2.185 0.000 2.603) 3.399 12.639 ( 0.462 0.000 2.771) 2.809 12.735 ( -3.820 0.000 -0.659) 3.876 12.947 ( 1.909 0.000 1.219) 2.265 12.964 ( -16.784 0.000 -3.160) 17.079 14.612 ( 8.016 0.000 7.639) 11.073 14.942 ( -4.338 0.000 5.712) 7.173 15.000 ( 2.481 0.000 -3.591) 4.364 15.426 ( 7.500 0.000 1.319) 7.615 15.542 ( 0.752 0.000 -10.143) 10.171 16.104 ( 20.499 0.000 3.631) 20.818 16.144 ( -7.434 0.000 6.999) 10.210 16.629 ( -6.251 0.000 13.897) 15.238 16.761 ( -2.491 0.000 -12.802) 13.042 17.737 ( -10.578 0.000 -6.931) 12.646 18.080 ( -0.598 0.000 0.765) 0.971 18.126 ( -0.882 0.000 0.334) 0.943 ======================= Grid point 91 (44/111) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 12.455 0.000 20.862) 24.297 1.599 ( 6.344 0.000 23.832) 24.662 1.636 ( -7.943 0.000 0.958) 8.000 1.907 ( 2.085 0.000 -3.891) 4.414 2.010 ( -7.501 0.000 9.465) 12.077 2.153 ( 4.754 0.000 -0.750) 4.813 2.461 ( -1.469 0.000 2.891) 3.243 2.590 ( 9.676 0.000 18.344) 20.740 2.912 ( -7.746 0.000 -0.193) 7.748 2.978 ( 0.781 0.000 13.658) 13.680 3.000 ( 7.935 0.000 11.430) 13.915 3.203 ( 4.613 0.000 -6.816) 8.230 3.224 ( -1.236 0.000 8.471) 8.560 3.276 ( 3.505 0.000 -15.015) 15.418 3.467 ( -1.802 0.000 -2.741) 3.281 3.564 ( 3.851 0.000 -0.144) 3.853 3.756 ( 6.422 0.000 2.160) 6.776 3.760 ( 9.853 0.000 2.045) 10.063 3.877 ( 0.686 0.000 0.023) 0.686 3.967 ( -3.123 0.000 -11.385) 11.806 4.053 ( -11.114 0.000 -4.012) 11.816 4.075 ( -6.332 0.000 5.707) 8.524 4.292 ( -2.932 0.000 -8.814) 9.289 4.421 ( 2.367 0.000 -1.876) 3.020 4.462 ( -2.171 0.000 -1.266) 2.513 4.623 ( -0.834 0.000 -5.474) 5.537 4.694 ( 2.599 0.000 6.241) 6.761 4.933 ( 1.930 0.000 -1.498) 2.443 4.969 ( -8.834 0.000 5.367) 10.337 5.106 ( 12.807 0.000 -0.913) 12.839 5.254 ( 1.022 0.000 -7.758) 7.825 5.336 ( -5.126 0.000 -5.927) 7.836 5.596 ( -3.794 0.000 -4.144) 5.619 5.637 ( -2.492 0.000 -0.065) 2.493 5.956 ( -0.241 0.000 4.992) 4.997 5.965 ( -2.330 0.000 1.177) 2.611 6.162 ( -1.382 0.000 -3.052) 3.350 6.295 ( 3.296 0.000 0.774) 3.386 6.425 ( 3.877 0.000 -1.871) 4.305 6.557 ( 8.789 0.000 5.558) 10.399 6.589 ( -9.876 0.000 -7.997) 12.708 6.617 ( -7.214 0.000 -6.348) 9.609 6.891 ( -7.275 0.000 -0.912) 7.332 7.118 ( 8.792 0.000 0.595) 8.812 7.751 ( -5.158 0.000 4.061) 6.565 8.077 ( -5.708 0.000 5.776) 8.121 8.124 ( -3.067 0.000 -0.273) 3.079 8.322 ( 2.648 0.000 -4.386) 5.123 8.417 ( 2.617 0.000 -4.947) 5.597 8.838 ( 3.185 0.000 -9.464) 9.985 9.129 ( -3.432 0.000 8.062) 8.762 9.594 ( 3.444 0.000 -1.633) 3.812 10.194 ( -6.087 0.000 7.998) 10.051 10.938 ( 3.748 0.000 -7.785) 8.640 11.259 ( 3.628 0.000 1.387) 3.884 11.397 ( -2.965 0.000 -3.664) 4.713 11.545 ( -3.538 0.000 2.097) 4.113 12.101 ( 6.847 0.000 -6.812) 9.658 12.213 ( -2.300 0.000 3.362) 4.074 12.344 ( -17.654 0.000 6.046) 18.660 12.411 ( -1.253 0.000 5.065) 5.218 12.529 ( -1.685 0.000 -1.667) 2.370 12.591 ( -1.493 0.000 1.897) 2.414 12.783 ( 0.059 0.000 3.841) 3.842 12.993 ( 15.733 0.000 -4.800) 16.449 13.018 ( 4.140 0.000 2.596) 4.887 14.808 ( 7.637 0.000 1.722) 7.829 14.880 ( -7.228 0.000 1.077) 7.308 15.102 ( 10.271 0.000 3.435) 10.830 15.473 ( 4.235 0.000 -10.276) 11.115 15.563 ( 5.369 0.000 2.840) 6.074 16.078 ( -6.550 0.000 4.191) 7.776 16.362 ( 7.735 0.000 -2.097) 8.015 16.548 ( -7.215 0.000 -7.621) 10.495 16.711 ( -6.139 0.000 18.875) 19.848 17.539 ( -1.630 0.000 -10.260) 10.389 18.091 ( 0.638 0.000 0.785) 1.012 18.119 ( -0.366 0.000 0.440) 0.572 ======================= Grid point 92 (45/111) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -3.813 0.000 3.395) 5.105 1.783 ( 1.534 0.000 -5.268) 5.486 1.937 ( 5.346 0.000 19.217) 19.947 1.976 ( -8.527 0.000 8.413) 11.979 2.073 ( 17.518 0.000 9.634) 19.993 2.183 ( 1.412 0.000 -3.846) 4.097 2.506 ( 0.275 0.000 5.310) 5.317 2.789 ( -5.189 0.000 -1.009) 5.286 2.831 ( 3.155 0.000 6.943) 7.626 3.053 ( -10.314 0.000 2.017) 10.509 3.114 ( 0.746 0.000 0.436) 0.864 3.159 ( -1.412 0.000 -1.426) 2.007 3.276 ( 3.132 0.000 1.966) 3.698 3.420 ( 13.329 0.000 9.398) 16.309 3.471 ( 6.112 0.000 -4.297) 7.472 3.623 ( 3.808 0.000 1.037) 3.946 3.652 ( -10.101 0.000 -9.498) 13.865 3.785 ( -0.556 0.000 -1.715) 1.803 3.886 ( 4.251 0.000 -0.896) 4.344 3.947 ( 2.705 0.000 -8.899) 9.301 3.988 ( 3.723 0.000 1.782) 4.127 4.094 ( -0.198 0.000 10.067) 10.069 4.190 ( -1.523 0.000 -4.539) 4.787 4.412 ( -2.777 0.000 0.619) 2.845 4.415 ( 2.599 0.000 -3.847) 4.642 4.609 ( 3.539 0.000 -2.639) 4.415 4.847 ( -4.407 0.000 2.375) 5.006 4.911 ( 0.692 0.000 -8.258) 8.287 4.915 ( 5.457 0.000 10.646) 11.963 5.176 ( -3.094 0.000 -2.855) 4.210 5.274 ( 3.572 0.000 -3.453) 4.968 5.295 ( 9.944 0.000 1.317) 10.031 5.496 ( -3.942 0.000 -1.346) 4.166 5.548 ( -6.735 0.000 -0.225) 6.739 5.946 ( -1.893 0.000 0.310) 1.918 5.990 ( -3.132 0.000 5.770) 6.565 6.094 ( -3.240 0.000 -1.750) 3.683 6.303 ( -13.408 0.000 -8.663) 15.963 6.333 ( 1.805 0.000 -2.446) 3.040 6.358 ( -13.323 0.000 -6.811) 14.963 6.463 ( 4.210 0.000 -0.690) 4.266 6.751 ( 6.014 0.000 5.892) 8.419 6.807 ( -0.979 0.000 -3.248) 3.392 7.255 ( 6.249 0.000 0.696) 6.287 7.714 ( -5.151 0.000 4.854) 7.078 8.022 ( -8.935 0.000 6.874) 11.273 8.082 ( -2.267 0.000 0.825) 2.412 8.338 ( 3.768 0.000 -2.686) 4.627 8.403 ( 2.832 0.000 -5.831) 6.483 8.783 ( 3.143 0.000 -9.915) 10.401 9.149 ( -4.307 0.000 7.361) 8.529 9.628 ( 2.126 0.000 -0.865) 2.295 10.164 ( -7.416 0.000 7.613) 10.628 10.909 ( 3.564 0.000 -8.360) 9.088 11.302 ( -3.013 0.000 -4.146) 5.126 11.321 ( 1.252 0.000 1.251) 1.770 11.526 ( -1.080 0.000 2.310) 2.550 12.114 ( -3.470 0.000 -0.758) 3.552 12.153 ( -5.478 0.000 0.038) 5.479 12.182 ( -3.263 0.000 -0.367) 3.283 12.469 ( 0.699 0.000 5.584) 5.628 12.500 ( 0.632 0.000 -1.849) 1.954 12.578 ( -0.191 0.000 -0.448) 0.487 12.821 ( 0.073 0.000 1.917) 1.919 13.124 ( 2.817 0.000 5.324) 6.023 13.199 ( 13.361 0.000 -2.453) 13.584 14.746 ( -7.153 0.000 -2.658) 7.631 14.903 ( 6.548 0.000 -4.356) 7.864 15.372 ( 12.388 0.000 8.259) 14.889 15.452 ( 5.893 0.000 -9.491) 11.172 15.647 ( 1.753 0.000 1.235) 2.144 16.043 ( -3.637 0.000 5.175) 6.325 16.200 ( -5.835 0.000 -18.086) 19.004 16.506 ( -8.526 0.000 12.936) 15.493 16.810 ( -7.837 0.000 20.662) 22.098 17.467 ( 9.939 0.000 -16.012) 18.846 18.111 ( 0.592 0.000 0.964) 1.131 18.122 ( -0.133 0.000 0.638) 0.652 ======================= Grid point 93 (46/111) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -0.923 0.000 7.291) 7.349 1.727 ( -0.069 0.000 -5.998) 5.998 1.893 ( -5.570 0.000 -0.093) 5.571 2.096 ( -1.481 0.000 -2.876) 3.235 2.187 ( 0.418 0.000 8.972) 8.982 2.477 ( 16.906 0.000 9.112) 19.205 2.537 ( -5.250 0.000 6.122) 8.064 2.716 ( 0.507 0.000 -4.594) 4.622 2.753 ( -13.841 0.000 -1.836) 13.963 3.004 ( -2.105 0.000 6.549) 6.879 3.049 ( 3.016 0.000 -4.661) 5.552 3.201 ( -2.305 0.000 4.471) 5.030 3.357 ( 6.252 0.000 -1.855) 6.521 3.489 ( 0.153 0.000 -1.491) 1.499 3.505 ( -3.604 0.000 3.238) 4.845 3.553 ( -1.253 0.000 3.244) 3.478 3.769 ( 10.944 0.000 -5.207) 12.120 3.799 ( -0.193 0.000 3.454) 3.460 3.843 ( 1.580 0.000 -8.281) 8.430 3.988 ( 6.156 0.000 -4.869) 7.848 4.065 ( 3.066 0.000 2.862) 4.194 4.121 ( 0.300 0.000 -6.531) 6.538 4.203 ( -0.849 0.000 10.549) 10.583 4.408 ( -0.352 0.000 3.766) 3.783 4.459 ( 5.502 0.000 -0.747) 5.552 4.664 ( 7.772 0.000 -4.163) 8.817 4.726 ( -8.697 0.000 0.336) 8.704 4.808 ( 1.025 0.000 -11.421) 11.467 5.100 ( -5.780 0.000 1.107) 5.885 5.140 ( 4.599 0.000 4.326) 6.314 5.318 ( 5.134 0.000 -3.767) 6.368 5.444 ( -2.990 0.000 0.679) 3.066 5.454 ( -4.158 0.000 1.452) 4.404 5.481 ( 10.004 0.000 1.763) 10.158 5.890 ( -11.491 0.000 -3.543) 12.025 5.899 ( -3.540 0.000 -0.527) 3.579 5.968 ( -14.278 0.000 -5.165) 15.184 6.079 ( 0.576 0.000 5.002) 5.035 6.172 ( -3.564 0.000 2.709) 4.476 6.314 ( 1.733 0.000 -5.360) 5.633 6.540 ( 3.604 0.000 1.291) 3.828 6.774 ( 1.809 0.000 -4.606) 4.949 6.868 ( 1.406 0.000 4.151) 4.382 7.328 ( 2.617 0.000 -1.176) 2.869 7.682 ( -5.169 0.000 5.072) 7.242 7.937 ( -10.151 0.000 7.250) 12.474 8.071 ( -1.133 0.000 2.313) 2.575 8.362 ( 0.008 0.000 -0.557) 0.557 8.408 ( 7.412 0.000 -7.522) 10.560 8.738 ( 4.751 0.000 -10.224) 11.274 9.144 ( -5.740 0.000 7.286) 9.275 9.641 ( -0.089 0.000 0.175) 0.196 10.119 ( -7.199 0.000 6.766) 9.880 10.883 ( 4.489 0.000 -8.625) 9.723 11.218 ( -1.529 0.000 -3.951) 4.236 11.335 ( 0.304 0.000 0.748) 0.808 11.551 ( 0.444 0.000 2.169) 2.214 11.989 ( -9.862 0.000 4.230) 10.731 12.096 ( -4.292 0.000 -3.825) 5.749 12.138 ( 4.166 0.000 -7.181) 8.302 12.518 ( 2.748 0.000 -0.064) 2.749 12.531 ( -0.382 0.000 4.752) 4.768 12.600 ( 3.700 0.000 -0.723) 3.770 12.820 ( -1.190 0.000 -0.075) 1.192 13.202 ( -1.952 0.000 7.022) 7.288 13.384 ( 10.560 0.000 -0.092) 10.561 14.608 ( -4.417 0.000 -4.268) 6.142 14.949 ( 5.733 0.000 -5.720) 8.099 15.461 ( 5.056 0.000 -5.773) 7.675 15.579 ( 0.270 0.000 -0.223) 0.350 15.651 ( 0.932 0.000 -3.824) 3.936 15.976 ( 4.114 0.000 -10.012) 10.824 16.057 ( -3.285 0.000 7.039) 7.768 16.448 ( -14.176 0.000 11.807) 18.448 16.890 ( -9.200 0.000 20.417) 22.394 17.519 ( 16.168 0.000 -15.259) 22.232 18.127 ( -0.172 0.000 0.755) 0.775 18.129 ( 0.050 0.000 1.163) 1.164 ======================= Grid point 94 (47/111) ======================= q-point: (-0.56 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -1.697 0.000 7.158) 7.356 1.648 ( -3.277 0.000 -4.163) 5.298 1.821 ( -0.100 0.000 -3.283) 3.284 1.970 ( -9.835 0.000 -3.402) 10.407 2.246 ( 0.990 0.000 1.653) 1.927 2.466 ( -18.025 0.000 -0.181) 18.026 2.513 ( -3.258 0.000 7.338) 8.029 2.718 ( 2.704 0.000 -2.253) 3.519 2.805 ( 14.033 0.000 1.137) 14.079 3.009 ( -3.729 0.000 5.436) 6.592 3.108 ( 4.706 0.000 0.755) 4.766 3.224 ( 0.905 0.000 3.441) 3.558 3.405 ( 2.472 0.000 -5.456) 5.990 3.457 ( -4.840 0.000 4.827) 6.836 3.535 ( -0.436 0.000 5.662) 5.679 3.595 ( 3.122 0.000 1.517) 3.471 3.766 ( -3.042 0.000 -2.024) 3.654 3.774 ( 1.660 0.000 -9.957) 10.094 3.853 ( 0.109 0.000 -0.278) 0.299 3.981 ( -0.363 0.000 -3.964) 3.981 4.079 ( -0.031 0.000 -4.013) 4.014 4.125 ( 6.361 0.000 -2.334) 6.776 4.313 ( -0.041 0.000 11.876) 11.876 4.459 ( 0.076 0.000 4.598) 4.599 4.561 ( 5.468 0.000 1.286) 5.617 4.588 ( -8.814 0.000 1.866) 9.009 4.729 ( 4.943 0.000 -10.629) 11.723 4.772 ( 9.964 0.000 -4.939) 11.121 5.017 ( -4.887 0.000 2.611) 5.541 5.072 ( -11.686 0.000 -6.243) 13.249 5.279 ( -10.238 0.000 -8.581) 13.358 5.319 ( 2.387 0.000 -7.667) 8.030 5.478 ( 2.269 0.000 5.271) 5.739 5.624 ( 6.270 0.000 -4.703) 7.838 5.699 ( -4.648 0.000 1.774) 4.975 5.824 ( -4.714 0.000 -0.452) 4.736 5.835 ( -4.248 0.000 4.782) 6.396 6.245 ( 9.955 0.000 9.418) 13.704 6.271 ( 6.390 0.000 9.830) 11.724 6.287 ( 2.667 0.000 -6.320) 6.860 6.583 ( 0.563 0.000 -0.495) 0.749 6.761 ( 2.771 0.000 -4.911) 5.639 6.884 ( -3.305 0.000 1.530) 3.642 7.312 ( -0.689 0.000 -4.556) 4.608 7.654 ( -4.938 0.000 5.345) 7.277 7.853 ( -8.865 0.000 7.091) 11.352 8.095 ( 0.292 0.000 3.434) 3.447 8.350 ( 0.857 0.000 -2.071) 2.241 8.456 ( 6.734 0.000 -6.540) 9.387 8.726 ( 7.147 0.000 -10.284) 12.524 9.119 ( -6.908 0.000 7.749) 10.381 9.631 ( -1.748 0.000 0.942) 1.985 10.075 ( -6.278 0.000 5.971) 8.664 10.875 ( 5.754 0.000 -8.674) 10.409 11.173 ( 0.314 0.000 -2.289) 2.311 11.376 ( 2.651 0.000 2.725) 3.802 11.572 ( -0.297 0.000 1.275) 1.309 11.887 ( -6.756 0.000 1.781) 6.987 11.970 ( -4.024 0.000 -6.138) 7.340 12.123 ( 3.117 0.000 -6.856) 7.531 12.557 ( -1.904 0.000 3.543) 4.023 12.576 ( 3.265 0.000 0.349) 3.284 12.663 ( 4.163 0.000 -0.798) 4.239 12.791 ( -1.433 0.000 -0.305) 1.465 13.202 ( -7.477 0.000 7.432) 10.542 13.548 ( 8.455 0.000 1.440) 8.577 14.524 ( -0.437 0.000 -3.269) 3.298 14.974 ( 4.391 0.000 -4.999) 6.654 15.347 ( -12.092 0.000 -13.605) 18.202 15.479 ( 0.295 0.000 -1.320) 1.353 15.625 ( 4.863 0.000 -7.371) 8.831 16.068 ( -4.643 0.000 6.881) 8.301 16.134 ( 10.889 0.000 1.206) 10.955 16.322 ( -10.001 0.000 6.850) 12.122 16.940 ( -10.334 0.000 18.647) 21.319 17.655 ( 16.515 0.000 -10.613) 19.632 18.133 ( -0.165 0.000 0.899) 0.914 18.137 ( -0.573 0.000 1.217) 1.345 ======================= Grid point 95 (48/111) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -8.545 0.000 -2.720) 8.968 1.605 ( -15.802 0.000 3.004) 16.085 1.764 ( -2.632 0.000 -3.756) 4.586 1.833 ( 4.839 0.000 -1.949) 5.217 2.179 ( -16.458 0.000 1.945) 16.572 2.295 ( -0.360 0.000 5.160) 5.173 2.578 ( -1.653 0.000 8.607) 8.764 2.763 ( 6.041 0.000 -0.550) 6.066 2.846 ( -3.967 0.000 -3.678) 5.409 3.121 ( 8.337 0.000 0.593) 8.358 3.157 ( -0.534 0.000 0.381) 0.656 3.275 ( -2.603 0.000 5.654) 6.224 3.337 ( -9.114 0.000 1.858) 9.302 3.380 ( -12.193 0.000 4.345) 12.944 3.562 ( 2.424 0.000 -4.475) 5.089 3.580 ( -7.170 0.000 -6.444) 9.640 3.665 ( -1.183 0.000 -4.753) 4.898 3.717 ( 5.008 0.000 -10.106) 11.279 3.766 ( -6.115 0.000 3.614) 7.103 3.987 ( 3.146 0.000 3.058) 4.387 4.121 ( 9.782 0.000 -1.311) 9.869 4.236 ( 6.136 0.000 4.496) 7.607 4.388 ( -6.585 0.000 4.165) 7.792 4.504 ( -4.540 0.000 2.895) 5.384 4.507 ( -1.172 0.000 6.565) 6.669 4.617 ( -0.284 0.000 0.716) 0.770 4.725 ( -14.424 0.000 -6.738) 15.921 4.772 ( 9.639 0.000 -8.101) 12.591 4.850 ( 5.146 0.000 -0.710) 5.194 5.057 ( -4.356 0.000 -7.718) 8.863 5.066 ( 7.702 0.000 1.861) 7.924 5.263 ( 3.274 0.000 -9.881) 10.410 5.596 ( 2.795 0.000 6.242) 6.839 5.638 ( 3.283 0.000 -3.001) 4.448 5.723 ( 0.494 0.000 3.131) 3.170 5.741 ( -3.560 0.000 -0.614) 3.613 5.822 ( -2.390 0.000 1.944) 3.081 6.265 ( 2.892 0.000 -6.638) 7.241 6.504 ( 9.056 0.000 6.870) 11.367 6.542 ( -3.093 0.000 -3.103) 4.381 6.577 ( 13.912 0.000 9.313) 16.741 6.776 ( 4.632 0.000 -0.943) 4.727 6.790 ( -7.569 0.000 -2.233) 7.892 7.216 ( -2.452 0.000 -7.719) 8.099 7.638 ( -4.194 0.000 6.136) 7.433 7.811 ( -4.868 0.000 6.771) 8.340 8.150 ( 1.444 0.000 3.792) 4.058 8.351 ( 2.267 0.000 -2.631) 3.473 8.481 ( 5.050 0.000 -7.033) 8.658 8.752 ( 9.000 0.000 -10.164) 13.576 9.087 ( -7.366 0.000 8.429) 11.194 9.609 ( -1.914 0.000 0.813) 2.080 10.043 ( -5.292 0.000 6.005) 8.004 10.888 ( 6.886 0.000 -8.474) 10.919 11.186 ( 2.001 0.000 1.157) 2.312 11.449 ( -0.264 0.000 2.431) 2.445 11.596 ( 2.938 0.000 3.012) 4.207 11.790 ( -5.502 0.000 -1.557) 5.718 11.845 ( -2.599 0.000 -6.252) 6.771 12.097 ( 2.510 0.000 -6.269) 6.753 12.537 ( -4.847 0.000 2.991) 5.695 12.603 ( 0.485 0.000 -1.981) 2.040 12.711 ( 3.346 0.000 -1.880) 3.838 12.793 ( 0.737 0.000 2.446) 2.554 13.123 ( -11.056 0.000 7.270) 13.233 13.696 ( 7.307 0.000 1.757) 7.515 14.530 ( 3.157 0.000 0.122) 3.160 14.967 ( -7.951 0.000 -8.548) 11.674 15.015 ( -1.537 0.000 -7.287) 7.447 15.421 ( -2.606 0.000 -4.145) 4.897 15.679 ( 6.797 0.000 -2.139) 7.125 16.049 ( -5.392 0.000 5.236) 7.516 16.066 ( -11.536 0.000 -1.889) 11.690 16.471 ( 13.886 0.000 2.409) 14.094 16.942 ( -11.820 0.000 15.535) 19.521 17.821 ( 14.339 0.000 -6.838) 15.886 18.137 ( -0.828 0.000 1.120) 1.393 18.141 ( -0.165 0.000 1.142) 1.154 ======================= Grid point 96 (49/111) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -21.991 0.000 2.633) 22.148 1.299 ( -16.902 0.000 2.216) 17.047 1.774 ( 3.302 0.000 -0.147) 3.305 1.894 ( -0.416 0.000 1.556) 1.611 2.038 ( -0.336 0.000 3.099) 3.117 2.310 ( -6.267 0.000 6.669) 9.151 2.622 ( -1.397 0.000 5.216) 5.400 2.634 ( -23.774 0.000 -1.349) 23.813 2.871 ( 2.086 0.000 4.379) 4.851 2.962 ( -21.536 0.000 5.752) 22.291 3.099 ( -9.979 0.000 2.639) 10.322 3.176 ( -3.710 0.000 -8.412) 9.194 3.252 ( -0.012 0.000 0.082) 0.083 3.348 ( 0.160 0.000 3.961) 3.964 3.378 ( -6.056 0.000 -5.091) 7.912 3.585 ( 8.343 0.000 -5.408) 9.942 3.669 ( 6.142 0.000 -5.878) 8.502 3.694 ( 3.710 0.000 -8.443) 9.222 3.753 ( -2.525 0.000 5.218) 5.796 4.097 ( 4.524 0.000 1.674) 4.823 4.186 ( -19.340 0.000 -1.074) 19.370 4.272 ( 0.903 0.000 0.272) 0.943 4.353 ( 2.606 0.000 -2.368) 3.521 4.469 ( 11.429 0.000 10.923) 15.809 4.499 ( 1.009 0.000 -4.959) 5.061 4.599 ( 0.345 0.000 -2.526) 2.549 4.731 ( 0.335 0.000 11.214) 11.219 4.814 ( 0.889 0.000 1.932) 2.126 4.922 ( 5.725 0.000 -8.823) 10.518 4.965 ( -0.331 0.000 -2.568) 2.589 5.232 ( 8.438 0.000 -1.667) 8.601 5.299 ( 12.236 0.000 -0.677) 12.255 5.605 ( -3.373 0.000 -0.955) 3.506 5.669 ( 2.571 0.000 -0.726) 2.672 5.763 ( -0.463 0.000 3.437) 3.468 5.783 ( 4.501 0.000 3.906) 5.960 5.806 ( 0.278 0.000 0.217) 0.352 6.231 ( 1.362 0.000 -6.477) 6.618 6.429 ( -5.428 0.000 -3.694) 6.565 6.594 ( -10.120 0.000 -5.971) 11.750 6.636 ( 3.811 0.000 -1.933) 4.273 6.797 ( 6.863 0.000 3.467) 7.689 6.999 ( 12.863 0.000 8.620) 15.485 7.085 ( -1.960 0.000 -8.886) 9.100 7.652 ( -2.788 0.000 7.550) 8.048 7.841 ( -0.076 0.000 6.190) 6.190 8.218 ( 1.905 0.000 3.459) 3.949 8.366 ( 3.219 0.000 -3.106) 4.473 8.474 ( 3.479 0.000 -7.334) 8.117 8.799 ( 9.554 0.000 -9.870) 13.736 9.060 ( -7.040 0.000 9.070) 11.482 9.584 ( -1.567 0.000 -0.275) 1.591 10.036 ( -3.819 0.000 7.158) 8.113 10.916 ( 7.209 0.000 -8.333) 11.018 11.263 ( 3.088 0.000 5.213) 6.059 11.387 ( -4.468 0.000 -3.576) 5.723 11.665 ( -5.484 0.000 -4.487) 7.086 11.726 ( -0.649 0.000 4.998) 5.040 11.782 ( 5.159 0.000 0.003) 5.159 12.076 ( 2.723 0.000 -5.452) 6.094 12.466 ( -6.651 0.000 2.230) 7.015 12.566 ( -1.279 0.000 -2.385) 2.706 12.731 ( 1.288 0.000 -1.908) 2.302 12.848 ( 1.332 0.000 3.108) 3.381 13.012 ( -10.892 0.000 6.863) 12.874 13.819 ( 6.493 0.000 -1.311) 6.624 14.624 ( 4.703 0.000 4.696) 6.646 14.657 ( -10.269 0.000 -10.049) 14.368 15.055 ( 2.882 0.000 4.113) 5.022 15.335 ( -0.308 0.000 -6.502) 6.509 15.764 ( 2.315 0.000 1.748) 2.901 15.813 ( -12.322 0.000 -8.514) 14.977 16.018 ( -3.456 0.000 4.223) 5.457 16.705 ( 12.938 0.000 -1.277) 13.001 16.880 ( -13.256 0.000 11.751) 17.715 17.964 ( 10.123 0.000 -5.537) 11.539 18.144 ( 0.948 0.000 0.777) 1.225 18.149 ( -0.457 0.000 1.221) 1.303 ======================= Grid point 97 (50/111) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -18.240 0.000 12.481) 22.102 1.063 ( -19.892 0.000 14.627) 24.691 1.846 ( 3.452 0.000 2.402) 4.205 1.897 ( -0.315 0.000 4.221) 4.233 2.076 ( -44.645 0.000 15.503) 47.260 2.171 ( 8.805 0.000 1.995) 9.028 2.221 ( -10.434 0.000 2.828) 10.811 2.649 ( -1.767 0.000 5.552) 5.827 2.823 ( -2.903 0.000 -0.507) 2.947 2.889 ( -16.172 0.000 2.794) 16.412 2.947 ( -0.952 0.000 9.501) 9.549 2.966 ( -6.487 0.000 -9.704) 11.673 3.269 ( -5.741 0.000 2.559) 6.286 3.298 ( 8.438 0.000 -8.714) 12.130 3.403 ( 1.778 0.000 1.938) 2.630 3.639 ( -1.048 0.000 -8.591) 8.655 3.661 ( 1.922 0.000 -5.625) 5.944 3.722 ( 8.502 0.000 3.481) 9.187 3.770 ( -4.818 0.000 4.047) 6.292 3.952 ( -5.486 0.000 2.618) 6.079 4.151 ( 3.588 0.000 -3.603) 5.085 4.215 ( -3.099 0.000 1.034) 3.267 4.404 ( 1.382 0.000 -3.766) 4.011 4.513 ( 8.372 0.000 -4.571) 9.539 4.575 ( 1.228 0.000 -2.159) 2.484 4.755 ( 5.698 0.000 -3.591) 6.735 4.780 ( -3.543 0.000 2.483) 4.326 4.798 ( 1.847 0.000 -1.358) 2.293 4.936 ( 3.709 0.000 3.388) 5.023 5.009 ( 1.467 0.000 7.406) 7.550 5.344 ( 7.267 0.000 -0.775) 7.308 5.509 ( 3.994 0.000 2.252) 4.585 5.573 ( 6.960 0.000 -4.892) 8.508 5.705 ( 1.197 0.000 1.920) 2.263 5.764 ( 0.578 0.000 -0.770) 0.963 5.876 ( 3.160 0.000 1.794) 3.634 5.884 ( 2.924 0.000 8.147) 8.656 6.184 ( -0.317 0.000 -3.827) 3.840 6.306 ( -5.032 0.000 -1.492) 5.248 6.369 ( -6.872 0.000 -6.199) 9.254 6.652 ( 2.728 0.000 -3.553) 4.480 6.909 ( 2.461 0.000 2.034) 3.193 6.976 ( 0.288 0.000 -8.311) 8.316 7.242 ( 6.587 0.000 3.741) 7.575 7.715 ( 0.275 0.000 8.014) 8.019 7.929 ( 2.536 0.000 5.507) 6.062 8.279 ( 1.394 0.000 2.096) 2.517 8.388 ( 3.160 0.000 -2.811) 4.229 8.441 ( 2.656 0.000 -8.007) 8.436 8.849 ( 8.681 0.000 -9.448) 12.831 9.051 ( -6.064 0.000 9.494) 11.265 9.549 ( -1.627 0.000 -1.160) 1.998 10.073 ( -1.989 0.000 8.583) 8.811 10.937 ( 5.979 0.000 -8.442) 10.345 11.274 ( -2.764 0.000 -4.703) 5.455 11.412 ( 6.677 0.000 9.619) 11.710 11.538 ( -3.402 0.000 -3.395) 4.806 11.686 ( -3.139 0.000 0.059) 3.140 11.962 ( 5.321 0.000 8.954) 10.416 12.078 ( 3.782 0.000 -3.907) 5.437 12.385 ( -5.267 0.000 2.183) 5.701 12.531 ( -0.407 0.000 -0.783) 0.882 12.705 ( -3.354 0.000 0.044) 3.354 12.879 ( -0.644 0.000 0.765) 1.000 12.933 ( -5.832 0.000 4.954) 7.652 13.828 ( -0.157 0.000 -11.356) 11.357 14.453 ( -4.612 0.000 -3.520) 5.801 14.769 ( 3.376 0.000 8.763) 9.390 15.212 ( 4.945 0.000 11.609) 12.619 15.286 ( 3.633 0.000 -7.137) 8.008 15.482 ( -12.131 0.000 -10.591) 16.104 15.756 ( -3.585 0.000 -1.053) 3.736 16.056 ( -0.180 0.000 7.875) 7.877 16.765 ( -13.358 0.000 8.588) 15.880 16.855 ( 9.240 0.000 -5.783) 10.901 18.015 ( 3.516 0.000 -5.332) 6.387 18.150 ( -0.952 0.000 0.940) 1.338 18.181 ( 2.940 0.000 -3.007) 4.206 ======================= Grid point 98 (51/111) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -7.350 0.000 24.011) 25.110 1.002 ( -13.154 0.000 24.372) 27.695 1.683 ( -30.437 0.000 34.542) 46.039 1.905 ( -2.232 0.000 2.666) 3.477 1.990 ( 4.078 0.000 7.123) 8.208 2.070 ( -6.285 0.000 -0.221) 6.288 2.265 ( 2.319 0.000 -6.665) 7.056 2.651 ( -11.184 0.000 3.053) 11.593 2.721 ( -2.794 0.000 8.503) 8.951 2.769 ( 0.485 0.000 -2.367) 2.417 2.899 ( 3.222 0.000 3.312) 4.620 3.024 ( -2.407 0.000 7.948) 8.304 3.261 ( -2.157 0.000 7.083) 7.404 3.326 ( 8.924 0.000 -11.660) 14.683 3.394 ( -1.187 0.000 -2.736) 2.982 3.551 ( 0.806 0.000 -4.255) 4.331 3.638 ( 0.145 0.000 -1.538) 1.545 3.696 ( -7.291 0.000 3.327) 8.014 3.901 ( 5.924 0.000 5.103) 7.819 3.955 ( -0.688 0.000 0.920) 1.149 4.159 ( -5.734 0.000 2.488) 6.250 4.173 ( 5.182 0.000 -3.922) 6.499 4.489 ( 9.920 0.000 -3.153) 10.409 4.560 ( 1.476 0.000 -9.121) 9.240 4.604 ( 8.844 0.000 -0.496) 8.858 4.630 ( -1.807 0.000 -7.243) 7.465 4.721 ( -2.978 0.000 -1.227) 3.221 4.830 ( -2.364 0.000 -3.054) 3.862 5.007 ( -0.890 0.000 -0.037) 0.890 5.085 ( -2.720 0.000 6.513) 7.058 5.433 ( 0.613 0.000 -0.627) 0.877 5.529 ( 2.479 0.000 -2.461) 3.493 5.600 ( 2.589 0.000 -4.991) 5.623 5.729 ( 1.169 0.000 -2.799) 3.033 5.808 ( 3.100 0.000 3.383) 4.588 5.989 ( 5.350 0.000 1.814) 5.650 6.059 ( 6.402 0.000 7.673) 9.993 6.124 ( 1.423 0.000 -0.612) 1.549 6.226 ( -4.078 0.000 -0.308) 4.089 6.335 ( 4.559 0.000 0.902) 4.647 6.666 ( 3.283 0.000 -2.575) 4.173 6.914 ( -2.376 0.000 -1.271) 2.694 6.929 ( 3.819 0.000 -6.144) 7.234 7.264 ( -5.922 0.000 -0.573) 5.949 7.798 ( 0.413 0.000 3.649) 3.672 8.025 ( 1.706 0.000 5.051) 5.332 8.275 ( -3.305 0.000 -0.975) 3.446 8.385 ( 0.455 0.000 -4.765) 4.787 8.416 ( 4.436 0.000 -6.088) 7.533 8.878 ( 6.756 0.000 -9.149) 11.373 9.064 ( -4.751 0.000 9.508) 10.629 9.527 ( 0.913 0.000 -0.852) 1.249 10.142 ( -1.542 0.000 8.563) 8.700 10.937 ( 4.900 0.000 -7.613) 9.054 11.211 ( 0.305 0.000 -3.453) 3.466 11.489 ( -0.151 0.000 -1.358) 1.366 11.635 ( -3.654 0.000 0.974) 3.781 11.756 ( 21.684 0.000 7.526) 22.953 12.111 ( 0.793 0.000 8.610) 8.647 12.137 ( 7.237 0.000 0.519) 7.256 12.363 ( -1.092 0.000 3.872) 4.023 12.548 ( 2.320 0.000 1.639) 2.841 12.634 ( -5.756 0.000 2.022) 6.100 12.837 ( -3.096 0.000 -2.512) 3.987 12.920 ( -0.886 0.000 2.373) 2.533 13.480 ( -23.293 0.000 -15.298) 27.868 14.445 ( 2.972 0.000 4.224) 5.165 14.898 ( -0.447 0.000 9.528) 9.538 15.101 ( -8.625 0.000 -6.679) 10.909 15.313 ( 7.542 0.000 -4.687) 8.880 15.653 ( 19.766 0.000 12.953) 23.633 15.654 ( -3.366 0.000 -5.782) 6.691 16.139 ( -3.044 0.000 10.312) 10.752 16.649 ( -10.557 0.000 8.409) 13.496 16.877 ( 3.731 0.000 -10.239) 10.898 17.965 ( -2.486 0.000 -8.931) 9.271 18.121 ( -4.663 0.000 -1.951) 5.055 18.139 ( -1.183 0.000 0.528) 1.295 ======================= Grid point 99 (52/111) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 2.835 -4.438 25.577) 26.113 1.239 ( -2.295 6.786 22.545) 23.656 1.823 ( -0.597 7.072 -1.596) 7.275 1.938 ( -2.732 -12.941 -8.297) 15.614 2.069 ( 0.616 -1.376 6.715) 6.882 2.167 ( 6.246 -0.523 15.794) 16.992 2.215 ( -9.622 19.140 19.177) 28.752 2.461 ( -0.591 -2.341 4.957) 5.514 2.751 ( 3.549 -4.209 8.988) 10.540 2.919 ( 5.223 5.192 -0.868) 7.416 3.047 ( -3.346 3.887 3.391) 6.149 3.135 ( 0.438 4.035 3.888) 5.620 3.231 ( 1.021 -0.533 -3.430) 3.618 3.381 ( 4.295 1.646 -9.323) 10.396 3.463 ( 3.928 -4.106 8.574) 10.286 3.500 ( 2.956 0.433 -2.674) 4.009 3.588 ( -4.734 -0.369 0.602) 4.786 3.673 ( -1.276 0.790 -1.358) 2.024 3.899 ( -0.548 -0.472 -1.248) 1.442 3.942 ( 2.476 -4.772 3.702) 6.527 4.074 ( -2.439 -3.783 -2.817) 5.310 4.254 ( 7.681 -1.618 3.694) 8.675 4.336 ( -5.046 -8.744 -8.427) 13.150 4.423 ( -3.917 1.032 -5.004) 6.437 4.597 ( -4.522 -1.005 -2.717) 5.370 4.626 ( 1.675 1.066 -5.954) 6.276 4.773 ( 1.608 -0.790 -2.765) 3.295 4.832 ( 1.610 6.954 4.231) 8.298 5.002 ( 0.319 1.712 -0.908) 1.963 5.102 ( -5.738 4.455 1.626) 7.444 5.350 ( -2.321 -0.798 -2.190) 3.289 5.493 ( -3.422 -0.166 -7.697) 8.425 5.608 ( 2.236 -1.273 -0.570) 2.636 5.696 ( -1.209 -0.176 -3.497) 3.704 5.769 ( -1.412 -6.486 1.148) 6.736 5.934 ( -0.036 -12.118 -0.644) 12.135 6.097 ( 2.534 3.643 3.903) 5.910 6.252 ( 2.638 1.866 1.676) 3.640 6.377 ( 8.156 2.735 2.992) 9.108 6.469 ( 3.807 1.423 -0.611) 4.109 6.728 ( 3.228 2.946 -2.592) 5.081 6.825 ( -5.275 2.155 -5.084) 7.637 7.001 ( 4.371 1.426 -0.926) 4.690 7.107 ( -10.848 1.278 -2.314) 11.166 7.695 ( -2.043 -2.629 2.998) 4.480 8.171 ( -1.579 -4.209 -4.276) 6.204 8.210 ( 1.538 3.179 -3.350) 4.868 8.316 ( 0.153 0.979 -2.515) 2.703 8.400 ( -0.169 1.987 -0.048) 1.994 8.939 ( 1.404 -0.327 -1.356) 1.979 9.044 ( -0.857 0.638 1.505) 1.845 9.492 ( 3.503 -5.746 -2.646) 7.231 10.278 ( -3.261 8.444 7.829) 11.968 10.892 ( 3.569 -5.233 -4.970) 8.051 11.199 ( 1.709 0.257 0.019) 1.728 11.416 ( -1.118 -4.973 0.158) 5.100 11.641 ( -0.494 5.139 0.066) 5.163 11.973 ( 6.298 -4.898 -3.766) 8.823 12.229 ( 2.331 3.027 3.422) 5.129 12.326 ( -0.233 -1.637 3.473) 3.847 12.415 ( 6.370 -0.182 2.082) 6.704 12.486 ( -2.328 -6.030 2.141) 6.809 12.701 ( 5.445 4.253 3.584) 7.783 12.821 ( -3.603 4.868 -1.530) 6.246 12.936 ( -0.976 -0.853 0.923) 1.592 12.969 ( -15.307 0.339 -2.696) 15.546 14.658 ( 7.919 4.452 8.336) 12.329 14.975 ( -0.823 1.061 5.714) 5.870 15.056 ( 3.783 5.304 -2.704) 7.054 15.392 ( 8.305 -2.953 -1.117) 8.885 15.539 ( -2.581 0.847 -7.563) 8.036 15.996 ( 3.701 -7.726 6.431) 10.712 16.185 ( 5.007 1.646 3.175) 6.153 16.450 ( -1.978 -9.649 3.722) 10.529 16.978 ( -5.567 13.470 -3.414) 14.969 17.658 ( -10.168 -7.133 -5.109) 13.430 18.084 ( -0.524 0.424 0.641) 0.930 18.121 ( -0.813 -0.435 0.331) 0.980 ======================= Grid point 100 (53/111) ======================= q-point: ( 0.11 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 4.208 -7.198 22.859) 24.332 1.518 ( 8.961 1.206 9.583) 13.175 1.766 ( -2.274 0.344 0.750) 2.419 1.891 ( 6.200 1.901 -1.927) 6.765 2.157 ( 0.915 8.000 4.013) 8.997 2.271 ( -2.283 11.107 10.105) 15.188 2.370 ( 4.418 -8.886 4.923) 11.078 2.646 ( 7.547 6.231 11.434) 15.051 2.897 ( 2.045 -3.227 5.770) 6.920 2.940 ( -3.861 0.800 1.512) 4.223 3.071 ( 4.989 4.485 6.105) 9.071 3.180 ( -3.814 -3.959 8.048) 9.747 3.237 ( 3.192 3.176 -3.625) 5.781 3.333 ( 2.606 4.639 -10.715) 11.963 3.508 ( -0.660 3.229 1.011) 3.448 3.512 ( 3.241 -4.813 -4.075) 7.091 3.640 ( 3.234 -5.961 5.746) 8.889 3.702 ( 3.241 -4.983 2.418) 6.417 3.870 ( -2.897 -3.901 -4.714) 6.769 3.918 ( -3.011 -1.586 -7.658) 8.381 4.055 ( -1.192 2.500 6.933) 7.465 4.145 ( -3.116 -7.513 -8.696) 11.907 4.304 ( -6.535 8.293 1.252) 10.633 4.394 ( 4.370 -0.176 1.656) 4.677 4.487 ( -0.372 -3.522 -2.165) 4.151 4.558 ( -1.711 5.014 -3.474) 6.336 4.852 ( 2.834 -3.530 -1.467) 4.758 4.883 ( 3.205 7.092 3.882) 8.698 4.985 ( -5.564 -0.770 -0.250) 5.623 5.056 ( 2.525 0.458 0.485) 2.612 5.307 ( 0.232 1.698 -6.794) 7.007 5.351 ( -2.437 1.173 -2.431) 3.637 5.595 ( -2.954 0.220 -3.029) 4.237 5.637 ( -2.927 -0.400 -1.244) 3.205 5.725 ( -3.883 -12.541 2.718) 13.407 5.933 ( 1.672 -12.322 -1.890) 12.578 6.158 ( -0.757 6.196 3.446) 7.130 6.309 ( 2.806 1.108 0.891) 3.145 6.470 ( -0.034 -0.887 -3.322) 3.438 6.554 ( 3.752 0.201 4.037) 5.515 6.634 ( -7.074 4.046 -6.601) 10.487 6.662 ( -6.491 3.173 -5.509) 9.086 6.941 ( -3.835 4.318 -0.423) 5.790 7.123 ( 8.053 0.168 -0.121) 8.056 7.685 ( -2.688 -2.090 2.843) 4.435 8.116 ( -0.652 -2.830 -2.303) 3.707 8.180 ( -0.921 2.291 -2.601) 3.587 8.291 ( -1.434 1.734 -0.318) 2.272 8.385 ( -0.766 0.340 -0.968) 1.281 8.932 ( 2.242 4.466 -5.453) 7.396 9.048 ( -2.687 -4.326 4.597) 6.861 9.529 ( 4.527 -6.311 -3.079) 8.355 10.287 ( -5.722 8.704 7.759) 12.989 10.882 ( 2.013 -5.322 -5.381) 7.831 11.254 ( 2.731 0.320 2.030) 3.418 11.381 ( -2.687 -2.135 -0.626) 3.489 11.616 ( -1.479 6.120 -1.040) 6.381 12.006 ( 3.109 -6.658 -4.133) 8.430 12.293 ( -3.068 4.542 1.846) 5.784 12.311 ( -2.852 -2.494 3.736) 5.321 12.362 ( -4.166 -1.377 2.864) 5.240 12.576 ( 0.957 -1.351 1.751) 2.410 12.621 ( -8.382 5.130 -1.214) 9.902 12.809 ( 0.137 2.197 2.931) 3.666 12.947 ( 9.186 -3.207 -1.708) 9.879 13.018 ( 7.237 -0.610 1.582) 7.433 14.851 ( 6.801 4.170 1.493) 8.116 14.966 ( -4.718 6.893 1.508) 8.488 15.165 ( 9.584 5.992 3.548) 11.847 15.437 ( 2.458 -2.563 -10.002) 10.614 15.525 ( 4.902 -3.707 3.090) 6.879 15.986 ( -6.128 -8.884 2.418) 11.060 16.341 ( 7.045 -1.292 -1.940) 7.421 16.465 ( 0.102 -4.213 4.065) 5.855 16.869 ( -9.160 10.865 7.030) 15.854 17.465 ( -4.033 -6.793 -8.219) 11.401 18.093 ( 0.516 0.252 0.767) 0.958 18.116 ( -0.265 -0.273 0.469) 0.604 ======================= Grid point 101 (54/111) ======================= q-point: ( 0.22 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -0.241 2.636 2.990) 3.993 1.727 ( 3.092 -8.893 11.083) 14.543 1.782 ( 3.093 0.244 -2.345) 3.889 2.139 ( 14.612 5.896 6.067) 16.885 2.169 ( -0.923 8.674 4.433) 9.784 2.339 ( -0.104 11.588 3.720) 12.171 2.502 ( 4.506 -1.106 5.016) 6.833 2.778 ( -3.793 -0.069 -1.011) 3.926 2.839 ( 3.985 0.984 -0.593) 4.148 3.006 ( -0.179 -5.702 1.113) 5.813 3.084 ( -7.474 -1.992 3.429) 8.461 3.201 ( -2.487 2.558 -3.748) 5.175 3.276 ( 3.291 0.364 -0.295) 3.324 3.394 ( 9.469 -1.592 6.711) 11.714 3.498 ( 0.418 0.017 1.146) 1.220 3.578 ( 1.924 0.537 -5.297) 5.661 3.636 ( -1.832 -5.087 -7.604) 9.330 3.704 ( -2.702 -2.929 6.648) 7.751 3.780 ( 3.485 -8.226 2.314) 9.228 3.899 ( 0.399 -2.036 -3.420) 4.000 4.064 ( -0.427 4.646 0.957) 4.763 4.092 ( 1.330 -2.891 -0.125) 3.184 4.267 ( -2.122 6.205 3.035) 7.226 4.414 ( -1.153 3.169 -1.247) 3.595 4.532 ( 1.095 4.241 2.080) 4.849 4.553 ( 7.179 -0.954 -2.260) 7.587 4.861 ( -0.128 -3.928 -4.059) 5.650 4.874 ( -6.838 1.494 0.924) 7.060 4.985 ( 4.533 5.399 4.184) 8.198 5.122 ( 6.425 -5.781 -3.862) 9.466 5.213 ( -1.746 1.278 -0.805) 2.309 5.398 ( 5.392 3.503 0.898) 6.493 5.507 ( -3.698 0.649 -1.521) 4.051 5.537 ( -5.886 -0.569 -0.533) 5.937 5.725 ( -2.277 -12.444 4.356) 13.379 5.939 ( 0.537 -11.270 -0.083) 11.283 6.136 ( -4.227 5.116 -0.566) 6.660 6.292 ( -9.562 -1.173 -7.155) 12.001 6.369 ( -10.271 2.041 -4.905) 11.563 6.377 ( -4.258 2.564 -2.145) 5.413 6.507 ( 0.755 2.902 -1.860) 3.529 6.712 ( 3.689 -1.371 3.195) 5.069 6.931 ( 1.830 8.132 -0.216) 8.338 7.245 ( 6.027 -0.993 0.097) 6.109 7.670 ( -2.799 -1.234 2.842) 4.176 8.097 ( -0.793 0.719 0.484) 1.174 8.129 ( -3.613 3.022 0.196) 4.714 8.265 ( -0.363 -1.845 -1.331) 2.304 8.358 ( -0.780 -1.402 -1.355) 2.100 8.904 ( 2.924 7.082 -7.140) 10.473 9.046 ( -4.196 -6.876 5.358) 9.675 9.570 ( 4.235 -6.232 -3.191) 8.183 10.260 ( -7.282 8.970 7.589) 13.823 10.852 ( 1.772 -5.355 -5.746) 8.052 11.293 ( -0.862 -0.005 -0.408) 0.954 11.329 ( -1.418 -0.241 -0.357) 1.482 11.592 ( -0.042 5.811 -0.183) 5.814 11.994 ( 0.851 -7.613 -4.035) 8.658 12.156 ( -12.033 2.789 5.099) 13.363 12.344 ( 1.311 8.783 -1.797) 9.060 12.383 ( 1.296 -4.562 2.633) 5.425 12.539 ( -0.699 0.936 -0.922) 1.488 12.568 ( -0.829 -1.092 0.022) 1.371 12.829 ( 0.515 -0.158 0.059) 0.542 13.095 ( 5.572 -2.327 4.013) 7.250 13.170 ( 8.983 -2.128 0.949) 9.280 14.837 ( -5.864 8.029 -3.488) 10.536 14.951 ( 5.263 4.761 -3.910) 8.102 15.375 ( 5.011 -2.807 -1.914) 6.054 15.444 ( 11.963 2.140 0.128) 12.154 15.575 ( -2.440 -6.176 0.556) 6.664 15.919 ( -3.108 -8.884 1.150) 9.482 16.323 ( 2.296 8.956 -10.450) 13.953 16.549 ( -4.989 3.314 13.601) 14.861 16.835 ( -10.834 2.434 17.157) 20.436 17.361 ( 6.860 -9.877 -14.663) 18.963 18.112 ( 0.470 0.056 0.949) 1.061 18.121 ( -0.045 -0.106 0.667) 0.677 ======================= Grid point 102 (55/111) ======================= q-point: ( 0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 1.538 3.826 4.319) 5.972 1.732 ( -1.784 -0.100 -2.869) 3.380 1.847 ( 0.975 -0.401 0.585) 1.206 2.160 ( -0.099 5.752 -2.355) 6.216 2.336 ( -3.101 11.583 2.349) 12.219 2.431 ( 4.319 -1.427 5.354) 7.025 2.607 ( 5.940 3.932 2.288) 7.482 2.696 ( 0.145 -1.451 -6.274) 6.441 2.835 ( -6.888 4.644 1.546) 8.450 2.979 ( -0.516 -2.162 5.651) 6.072 3.035 ( 1.903 -2.814 -6.546) 7.375 3.179 ( -1.538 0.318 4.300) 4.577 3.318 ( 5.193 -4.689 -2.354) 7.382 3.453 ( -3.094 -1.844 3.458) 4.993 3.531 ( 4.151 0.435 -3.386) 5.375 3.578 ( -1.630 1.991 6.599) 7.083 3.661 ( 2.664 -7.082 -1.539) 7.721 3.704 ( 0.028 -5.420 0.435) 5.438 3.832 ( -0.155 -4.854 -4.277) 6.471 3.914 ( 4.879 -1.814 3.689) 6.380 4.092 ( 0.136 0.912 -0.119) 0.929 4.141 ( 4.296 3.086 -1.134) 5.410 4.273 ( -1.163 3.019 5.077) 6.020 4.389 ( -0.599 1.301 1.047) 1.774 4.581 ( 2.550 6.736 1.709) 7.402 4.662 ( 7.021 -0.759 -1.113) 7.149 4.755 ( -7.231 2.358 0.400) 7.616 4.776 ( 0.817 -1.571 -10.779) 10.924 5.035 ( -4.282 -4.039 1.068) 5.983 5.170 ( 4.289 -2.958 -2.584) 5.816 5.278 ( 4.859 1.697 0.679) 5.192 5.435 ( -2.987 -1.106 -0.007) 3.185 5.459 ( -2.707 0.879 0.579) 2.904 5.541 ( 6.063 3.745 2.442) 7.534 5.719 ( -3.971 -9.421 2.606) 10.551 5.942 ( -6.116 -4.925 -0.199) 7.855 5.969 ( -11.906 1.461 -5.331) 13.126 6.014 ( -2.627 -3.070 -0.076) 4.041 6.216 ( -4.018 3.772 0.842) 5.575 6.324 ( 0.501 0.074 -4.530) 4.558 6.564 ( 3.029 2.511 1.996) 4.412 6.772 ( 1.696 -0.246 0.364) 1.751 6.965 ( 1.123 7.694 0.631) 7.801 7.312 ( 2.803 -1.447 -1.570) 3.524 7.650 ( -3.155 -0.523 2.413) 4.006 8.057 ( -6.567 6.890 3.632) 10.187 8.104 ( -1.257 3.225 2.652) 4.360 8.257 ( 3.508 -8.478 -5.189) 10.541 8.340 ( -0.207 -2.002 0.114) 2.016 8.881 ( 3.669 7.438 -7.231) 11.003 9.024 ( -5.079 -7.405 5.078) 10.316 9.597 ( 3.065 -5.674 -3.188) 7.194 10.215 ( -7.546 9.220 7.263) 13.953 10.822 ( 2.413 -5.624 -5.994) 8.566 11.241 ( -1.441 1.684 -2.796) 3.568 11.325 ( 0.160 -0.938 0.520) 1.085 11.606 ( 0.902 4.836 0.598) 4.956 11.945 ( -2.112 -6.729 -3.258) 7.769 12.032 ( -8.011 3.154 3.038) 9.130 12.307 ( -0.628 8.806 -5.797) 10.561 12.431 ( 1.401 -4.665 2.742) 5.589 12.559 ( 1.587 -0.471 1.712) 2.381 12.592 ( 4.239 -0.428 -1.286) 4.450 12.821 ( -0.685 -0.585 -1.291) 1.574 13.195 ( -0.751 -0.507 6.637) 6.698 13.328 ( 8.311 -4.574 1.430) 9.593 14.699 ( -4.160 8.302 -5.253) 10.668 14.989 ( 5.228 3.795 -5.322) 8.370 15.389 ( 4.840 -6.707 -7.144) 10.929 15.453 ( -6.898 -10.166 -5.934) 13.643 15.668 ( 7.942 2.797 3.096) 8.971 15.921 ( -0.157 -4.848 4.034) 6.309 16.251 ( 1.953 16.056 -8.237) 18.151 16.535 ( -13.944 7.333 12.792) 20.294 16.872 ( -8.880 -1.878 20.096) 22.050 17.394 ( 15.638 -11.881 -13.958) 24.095 18.125 ( -0.095 -0.054 0.893) 0.900 18.129 ( -0.030 -0.017 1.037) 1.038 ======================= Grid point 103 (56/111) ======================= q-point: (-0.56 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -4.703 -0.973 -1.943) 5.181 1.720 ( 1.145 4.834 3.633) 6.154 1.842 ( 1.350 4.194 -3.684) 5.743 2.040 ( -10.872 5.403 -4.463) 12.935 2.302 ( -0.253 5.040 -1.443) 5.249 2.413 ( -7.634 -0.841 1.936) 7.921 2.591 ( -3.858 3.027 -1.232) 5.056 2.712 ( 3.437 0.599 -4.363) 5.587 2.882 ( 5.540 4.508 5.777) 9.186 3.007 ( 1.898 -3.216 -0.577) 3.779 3.062 ( 1.610 -1.325 3.486) 4.062 3.217 ( 2.850 0.413 1.832) 3.414 3.361 ( 1.431 -4.743 -4.498) 6.692 3.511 ( 3.987 -2.787 5.594) 7.413 3.534 ( -0.778 0.781 -1.243) 1.662 3.590 ( -6.177 6.227 8.092) 11.934 3.656 ( -2.049 -8.082 3.149) 8.912 3.711 ( 4.594 -6.173 -9.002) 11.842 3.807 ( -0.785 -2.992 -0.660) 3.163 3.959 ( -1.069 -1.059 -2.099) 2.583 4.078 ( -0.495 3.216 -1.838) 3.737 4.183 ( 2.342 2.087 2.316) 3.899 4.357 ( 1.659 1.985 8.950) 9.316 4.420 ( 0.946 -1.614 3.375) 3.859 4.606 ( -6.303 2.579 2.929) 7.414 4.661 ( 0.114 -4.004 -5.481) 6.789 4.678 ( 1.282 4.930 -0.944) 5.181 4.797 ( 9.597 2.630 -6.203) 11.726 4.963 ( -3.737 -4.437 1.949) 6.120 5.114 ( -9.474 1.461 -5.325) 10.966 5.247 ( -1.558 -3.538 -8.380) 9.229 5.302 ( -7.515 0.379 -8.650) 11.464 5.458 ( 2.806 -1.165 2.964) 4.245 5.625 ( -4.388 -4.771 3.072) 7.173 5.649 ( 3.713 1.649 -3.074) 5.094 5.785 ( -5.077 -1.600 2.567) 5.910 5.928 ( -0.121 4.379 1.787) 4.731 6.135 ( 7.670 -6.469 3.074) 10.494 6.250 ( 4.080 -1.064 7.094) 8.253 6.315 ( 4.172 -0.537 -0.909) 4.303 6.617 ( 1.198 3.110 1.013) 3.484 6.785 ( 0.481 1.225 -1.242) 1.810 6.964 ( -1.597 6.786 -0.263) 6.977 7.301 ( -0.230 -1.236 -4.436) 4.611 7.620 ( -2.867 0.055 1.650) 3.309 7.994 ( -6.345 9.547 5.392) 12.668 8.121 ( -0.475 2.776 3.082) 4.175 8.262 ( 4.354 -8.879 -5.991) 11.562 8.359 ( 1.985 -3.687 0.123) 4.189 8.871 ( 3.506 5.032 -5.743) 8.402 8.994 ( -4.091 -5.537 3.725) 7.827 9.601 ( 1.673 -4.884 -3.221) 6.085 10.171 ( -6.928 9.422 7.030) 13.645 10.805 ( 3.387 -6.244 -5.993) 9.294 11.207 ( 0.484 2.678 -1.503) 3.109 11.360 ( 2.504 -1.577 2.241) 3.712 11.619 ( 0.187 4.019 -0.169) 4.027 11.863 ( -3.566 -3.978 -2.817) 6.040 11.947 ( -4.858 2.622 0.414) 5.536 12.227 ( -0.464 6.271 -6.599) 9.115 12.484 ( 1.175 -3.645 2.438) 4.539 12.604 ( 1.410 -0.302 1.417) 2.022 12.655 ( 4.599 -0.272 -1.742) 4.925 12.786 ( -1.279 -0.715 -1.506) 2.101 13.211 ( -6.129 1.031 7.208) 9.517 13.473 ( 6.520 -6.443 2.584) 9.523 14.604 ( -0.395 7.136 -4.880) 8.654 15.014 ( 4.000 3.600 -4.191) 6.821 15.209 ( -7.823 -9.729 -12.103) 17.388 15.435 ( 3.637 -4.802 -1.440) 6.194 15.720 ( 1.018 6.292 -5.182) 8.215 15.987 ( -0.466 -5.078 6.579) 8.324 16.222 ( 0.168 7.039 -2.581) 7.499 16.396 ( -11.358 5.307 4.559) 13.340 16.965 ( -5.560 2.725 18.681) 19.680 17.551 ( 16.187 -9.808 -7.610) 20.399 18.132 ( -0.217 0.004 0.969) 0.993 18.137 ( -0.505 -0.041 1.177) 1.281 ======================= Grid point 104 (57/111) ======================= q-point: (-0.44 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -7.576 0.178 -0.940) 7.636 1.685 ( -16.090 8.048 -2.715) 18.195 1.817 ( 1.281 -2.442 2.058) 3.441 1.847 ( 1.871 7.572 -5.296) 9.428 2.223 ( -14.147 2.509 0.583) 14.379 2.297 ( -0.837 0.279 -0.583) 1.058 2.583 ( -1.252 1.258 1.707) 2.462 2.743 ( 5.297 0.755 0.203) 5.354 2.901 ( -5.110 -0.022 0.554) 5.140 3.069 ( 0.950 -2.526 -2.209) 3.488 3.141 ( 4.438 -0.456 3.920) 5.938 3.282 ( -2.341 -1.703 0.160) 2.899 3.316 ( 3.190 -1.906 -2.839) 4.677 3.443 ( -15.380 3.151 3.422) 16.068 3.556 ( -3.381 0.248 3.628) 4.965 3.579 ( -2.003 -0.919 -2.775) 3.543 3.634 ( -1.230 -0.170 -1.013) 1.602 3.694 ( 4.932 -2.475 -8.373) 10.028 3.752 ( -1.956 -0.573 0.833) 2.202 3.969 ( -2.323 -0.288 1.895) 3.012 4.065 ( 8.178 -0.232 3.137) 8.762 4.280 ( 0.702 1.781 7.253) 7.502 4.429 ( -0.112 -1.216 -1.069) 1.623 4.486 ( -10.098 1.093 3.139) 10.631 4.512 ( -0.391 -0.777 6.191) 6.252 4.634 ( -0.612 -4.403 -2.107) 4.919 4.680 ( -1.556 4.364 0.533) 4.664 4.821 ( -2.119 0.268 -2.634) 3.391 4.862 ( 1.312 2.881 -6.450) 7.185 5.045 ( 7.313 -0.829 0.101) 7.361 5.071 ( -1.935 -0.121 -5.604) 5.930 5.214 ( 3.509 -4.387 -8.658) 10.320 5.533 ( 0.653 -3.313 3.877) 5.142 5.641 ( 3.339 0.047 2.310) 4.060 5.686 ( 1.754 -0.978 0.722) 2.134 5.767 ( -0.839 -1.288 1.665) 2.266 5.894 ( -2.594 5.941 -2.531) 6.959 6.191 ( 3.209 -5.505 -6.751) 9.283 6.422 ( 4.957 -3.325 4.574) 7.520 6.504 ( 8.416 -5.363 7.050) 12.219 6.639 ( 0.961 4.526 1.725) 4.938 6.768 ( 0.238 1.629 -1.848) 2.475 6.925 ( -0.790 7.505 -0.263) 7.551 7.220 ( -1.880 -0.320 -6.370) 6.650 7.601 ( -0.867 1.099 1.023) 1.734 7.973 ( -3.330 11.137 5.974) 13.069 8.156 ( 1.260 0.238 2.194) 2.542 8.276 ( 4.221 -6.570 -4.728) 9.129 8.393 ( 2.590 -4.273 -1.357) 5.178 8.872 ( 1.819 0.147 -2.386) 3.004 8.977 ( -0.781 -1.002 0.926) 1.572 9.585 ( 0.697 -4.337 -3.297) 5.492 10.141 ( -5.785 9.618 7.082) 13.271 10.807 ( 4.395 -7.103 -5.708) 10.117 11.230 ( 2.249 3.572 1.621) 4.521 11.436 ( 1.204 -1.731 2.835) 3.533 11.622 ( 2.076 2.234 -0.152) 3.054 11.768 ( -3.527 -2.311 -4.151) 5.917 11.876 ( -3.527 4.449 -0.522) 5.702 12.157 ( 0.329 4.158 -6.095) 7.386 12.504 ( -1.843 -1.906 1.709) 3.154 12.619 ( -0.242 0.027 -0.965) 0.995 12.694 ( 2.194 -1.172 -1.543) 2.927 12.769 ( 0.649 -1.943 0.011) 2.049 13.159 ( -8.978 3.416 7.312) 12.073 13.600 ( 5.003 -8.361 3.240) 10.268 14.583 ( 2.764 4.528 -2.892) 6.041 14.917 ( -8.919 -4.937 -11.644) 15.476 15.063 ( 3.439 5.471 -1.316) 6.595 15.450 ( -1.242 0.728 -1.859) 2.351 15.684 ( 3.474 1.556 -4.301) 5.743 16.003 ( -6.042 -4.227 2.956) 7.944 16.086 ( -10.103 1.961 -1.435) 10.391 16.384 ( 3.822 -6.523 1.265) 7.666 17.071 ( -3.394 10.581 14.094) 17.947 17.739 ( 13.181 -7.612 -3.558) 15.631 18.136 ( -0.806 -0.005 1.169) 1.420 18.142 ( -0.262 -0.011 1.140) 1.169 ======================= Grid point 105 (58/111) ======================= q-point: (-0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -20.889 5.034 -0.877) 21.505 1.386 ( -11.542 7.042 3.350) 13.930 1.863 ( 4.709 5.572 -2.592) 7.742 1.915 ( 4.400 -2.053 4.358) 6.524 2.018 ( -10.849 1.655 1.535) 11.082 2.228 ( -6.281 -5.443 -1.108) 8.385 2.552 ( -6.070 -2.952 0.263) 6.755 2.795 ( -1.680 -2.550 1.554) 3.426 2.809 ( -9.666 6.998 2.577) 12.208 2.983 ( -16.704 1.213 3.515) 17.113 3.090 ( -15.700 2.883 5.629) 16.926 3.170 ( -1.649 -2.357 -0.281) 2.890 3.259 ( 1.242 0.952 -1.181) 1.961 3.362 ( 1.450 1.162 -5.005) 5.338 3.490 ( -3.447 6.569 -0.482) 7.434 3.555 ( 1.988 -0.701 -4.707) 5.157 3.637 ( 4.441 -4.192 0.091) 6.108 3.703 ( 4.214 0.120 -7.068) 8.230 3.757 ( -0.069 1.064 2.042) 2.303 3.958 ( -1.066 -7.359 -1.695) 7.627 4.195 ( -13.481 -0.391 2.117) 13.652 4.324 ( 7.418 0.884 3.450) 8.229 4.324 ( -4.579 1.162 2.446) 5.320 4.426 ( 3.525 -3.483 -5.671) 7.531 4.511 ( 2.243 -1.049 7.016) 7.440 4.675 ( 2.044 5.524 -2.201) 6.288 4.712 ( -0.242 -4.922 4.824) 6.896 4.815 ( 1.501 4.530 5.717) 7.447 4.890 ( 4.838 -1.628 -6.801) 8.504 5.017 ( 1.925 2.931 -1.528) 3.825 5.205 ( 7.197 -2.914 -2.285) 8.094 5.278 ( 11.306 -2.602 2.838) 11.944 5.563 ( -0.917 -1.056 2.401) 2.779 5.693 ( 2.242 1.260 -1.070) 2.785 5.772 ( 3.364 -1.471 3.987) 5.420 5.791 ( 2.867 0.181 0.913) 3.014 5.821 ( -1.794 3.274 -2.779) 4.654 6.151 ( 1.925 -6.520 -7.345) 10.008 6.437 ( -3.502 0.971 -1.188) 3.823 6.550 ( -4.645 -2.647 -3.209) 6.236 6.670 ( 0.172 2.024 -1.033) 2.279 6.812 ( 4.941 0.568 2.069) 5.387 7.003 ( 4.756 1.694 1.942) 5.409 7.152 ( 2.750 2.535 -1.868) 4.181 7.613 ( 0.719 2.094 1.200) 2.518 8.016 ( 1.448 11.429 4.848) 12.499 8.208 ( 2.458 -1.336 1.705) 3.276 8.295 ( 3.913 -5.426 -4.398) 8.005 8.408 ( 1.563 -3.578 -2.398) 4.582 8.880 ( 0.098 -3.864 1.021) 3.998 8.989 ( 2.601 3.414 -1.595) 4.578 9.556 ( 0.091 -4.051 -3.331) 5.246 10.136 ( -4.091 9.553 7.472) 12.800 10.826 ( 5.033 -7.940 -5.490) 10.886 11.309 ( 2.789 3.612 4.568) 6.457 11.397 ( -3.689 0.479 -4.076) 5.518 11.648 ( -4.154 -0.981 -4.954) 6.539 11.741 ( 6.868 -1.935 5.405) 8.951 11.825 ( -2.413 7.093 0.373) 7.502 12.112 ( 1.472 2.651 -4.796) 5.674 12.458 ( -5.165 -0.205 1.184) 5.303 12.589 ( -0.406 1.586 -2.431) 2.931 12.696 ( -1.012 -3.323 -0.162) 3.478 12.790 ( 1.113 -3.837 0.083) 3.996 13.092 ( -7.911 6.466 7.055) 12.416 13.699 ( 3.200 -10.461 1.463) 11.037 14.623 ( 3.375 -0.044 0.144) 3.378 14.650 ( -8.241 -0.603 -9.415) 12.526 15.148 ( 3.759 8.248 5.566) 10.637 15.372 ( -1.120 3.352 -6.083) 7.035 15.717 ( -4.088 -3.858 -2.984) 6.364 15.787 ( -6.308 -3.321 -3.346) 7.875 16.031 ( -2.324 1.503 3.069) 4.133 16.457 ( 1.891 -14.142 2.026) 14.411 17.143 ( -2.032 15.815 7.196) 17.494 17.891 ( 8.795 -7.016 -3.125) 11.677 18.138 ( -0.391 -0.231 1.178) 1.263 18.149 ( -0.406 -0.167 1.137) 1.219 ======================= Grid point 106 (59/111) ======================= q-point: (-0.22 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -19.971 6.217 7.297) 22.153 1.273 ( -14.166 12.240 14.255) 23.531 1.902 ( -3.297 -1.034 0.405) 3.479 1.945 ( 4.702 3.317 0.252) 5.760 1.979 ( -11.692 -5.571 5.936) 14.247 2.096 ( -1.015 -3.410 -0.903) 3.671 2.357 ( -21.123 4.328 13.555) 25.468 2.588 ( -12.106 1.767 3.263) 12.662 2.772 ( -7.520 -6.086 -1.209) 9.749 2.838 ( -5.367 1.482 1.084) 5.673 2.955 ( -1.194 3.983 4.007) 5.774 3.176 ( -1.498 7.808 0.580) 7.971 3.279 ( 3.263 -1.759 -2.836) 4.667 3.312 ( -3.695 3.811 1.168) 5.436 3.432 ( 0.698 3.349 -3.972) 5.242 3.589 ( 1.400 -4.604 -6.531) 8.113 3.667 ( 2.259 -2.477 1.854) 3.831 3.689 ( 3.018 0.770 -3.874) 4.971 3.754 ( -6.186 -2.134 4.551) 7.970 3.917 ( 2.267 -4.618 1.016) 5.244 4.074 ( -2.152 -0.874 -2.678) 3.545 4.290 ( -3.011 2.205 -2.061) 4.263 4.361 ( 2.596 -0.872 -2.243) 3.540 4.459 ( 3.885 -5.245 -1.172) 6.631 4.634 ( 2.222 2.943 -3.784) 5.284 4.677 ( 0.764 -5.506 -0.078) 5.560 4.775 ( 1.814 0.675 3.473) 3.976 4.868 ( 0.835 2.110 -2.593) 3.446 4.932 ( 4.088 3.769 6.273) 8.383 5.085 ( 2.680 4.935 4.897) 7.451 5.301 ( 6.220 -4.013 -0.532) 7.421 5.514 ( 8.691 -1.883 4.274) 9.866 5.567 ( 2.647 1.293 -2.175) 3.662 5.714 ( 0.443 0.344 0.551) 0.786 5.766 ( 0.120 0.430 -3.629) 3.656 5.827 ( 0.317 -3.361 1.369) 3.643 5.898 ( 5.869 1.084 3.812) 7.082 6.137 ( 2.772 -4.410 -2.303) 5.695 6.343 ( -4.610 2.754 -0.929) 5.449 6.409 ( -4.327 3.754 -5.185) 7.726 6.653 ( 0.984 0.269 -2.244) 2.465 6.891 ( 2.832 -1.420 -1.179) 3.380 7.010 ( -0.120 2.590 -1.437) 2.965 7.279 ( 5.187 0.064 3.003) 5.994 7.645 ( 0.529 1.402 2.515) 2.928 8.113 ( 5.747 9.497 0.751) 11.126 8.267 ( 1.257 -0.487 1.990) 2.404 8.310 ( 4.600 -5.934 -5.156) 9.108 8.395 ( 0.285 -2.255 -2.478) 3.363 8.897 ( -0.238 -4.734 2.323) 5.279 9.020 ( 3.162 5.155 -2.137) 6.414 9.516 ( -0.560 -3.730 -3.199) 4.946 10.168 ( -2.191 8.971 8.052) 12.252 10.852 ( 5.175 -7.877 -5.481) 10.903 11.282 ( -2.696 0.580 -5.557) 6.204 11.394 ( 1.039 -1.794 2.884) 3.552 11.558 ( -0.461 3.184 -0.533) 3.261 11.804 ( 0.353 7.013 0.247) 7.026 11.931 ( 5.731 -0.900 8.401) 10.210 12.111 ( 3.224 2.366 -2.155) 4.543 12.381 ( -4.969 0.228 1.166) 5.109 12.569 ( 0.657 3.261 -1.180) 3.530 12.653 ( -4.905 -4.883 1.402) 7.062 12.802 ( 1.329 -3.914 -1.254) 4.319 13.048 ( -5.714 7.520 4.834) 10.610 13.688 ( -4.135 -11.871 -5.694) 13.800 14.473 ( -3.907 1.955 -2.812) 5.195 14.706 ( 2.900 -4.819 6.109) 8.304 15.231 ( -1.836 2.873 -1.032) 3.562 15.382 ( 6.336 6.991 2.397) 9.734 15.447 ( -7.084 -2.502 -8.171) 11.100 15.788 ( -1.960 0.887 1.251) 2.489 16.055 ( -0.174 0.501 5.699) 5.724 16.479 ( -2.039 -14.694 2.478) 15.040 17.154 ( -1.296 16.405 -0.122) 16.457 17.946 ( 2.995 -7.394 -5.072) 9.453 18.142 ( -0.760 -1.095 0.552) 1.442 18.149 ( -0.815 -0.958 0.286) 1.290 ======================= Grid point 107 (60/111) ======================= q-point: (-0.11 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -9.395 2.355 20.933) 23.065 1.189 ( -17.996 10.566 20.676) 29.377 1.819 ( -10.083 8.753 14.492) 19.705 1.920 ( 2.704 -7.056 1.534) 7.711 2.023 ( 3.273 4.200 0.922) 5.404 2.098 ( -2.844 -12.324 -1.463) 12.732 2.228 ( -15.491 14.184 16.912) 26.966 2.498 ( -4.922 -7.328 0.567) 8.846 2.631 ( -3.771 -3.335 6.988) 8.612 2.842 ( 2.967 2.651 0.304) 3.991 3.027 ( 3.770 5.962 0.369) 7.064 3.137 ( -5.229 8.804 3.432) 10.799 3.275 ( -4.145 0.711 2.733) 5.016 3.316 ( 4.169 -1.393 1.532) 4.655 3.409 ( 3.748 0.980 -7.982) 8.872 3.506 ( 0.768 -2.061 -5.349) 5.784 3.667 ( -6.792 -0.196 3.953) 7.861 3.701 ( 0.655 1.487 -0.991) 1.903 3.827 ( 6.263 -4.967 3.457) 8.709 3.936 ( -2.128 -1.408 0.760) 2.662 4.098 ( 7.496 -3.834 -0.762) 8.454 4.164 ( -5.095 -2.608 -3.395) 6.654 4.424 ( 4.046 -4.162 -4.991) 7.655 4.513 ( 4.966 -7.050 -0.550) 8.641 4.550 ( -1.354 -0.845 -6.641) 6.830 4.707 ( 1.402 3.811 -3.886) 5.621 4.755 ( -2.755 4.250 2.920) 5.846 4.865 ( -0.781 3.084 -1.752) 3.631 5.018 ( -1.385 1.646 1.841) 2.832 5.143 ( -1.776 4.334 3.298) 5.728 5.384 ( 1.810 -4.305 0.508) 4.697 5.563 ( 2.091 2.267 -3.127) 4.392 5.601 ( 1.401 0.609 -4.875) 5.109 5.728 ( 0.104 -0.886 -0.747) 1.164 5.754 ( 1.001 -3.038 0.901) 3.323 5.888 ( 3.965 -9.779 3.315) 11.061 6.035 ( 3.062 2.518 1.330) 4.182 6.154 ( 4.870 -0.154 0.572) 4.905 6.310 ( -1.683 5.632 -0.921) 5.950 6.374 ( 5.025 2.355 1.975) 5.890 6.675 ( 3.861 1.123 -1.040) 4.153 6.896 ( 1.622 -0.562 -3.957) 4.313 6.991 ( -0.917 3.556 -1.060) 3.822 7.288 ( -5.638 -0.383 -1.399) 5.821 7.680 ( -0.469 -1.519 3.537) 3.878 8.192 ( 5.133 5.051 -3.464) 7.991 8.247 ( -1.630 -4.087 -3.559) 5.659 8.338 ( 2.070 -0.769 -3.736) 4.340 8.388 ( 1.274 0.665 -0.108) 1.442 8.920 ( 0.262 -3.708 1.792) 4.126 9.040 ( 1.429 4.387 -1.278) 4.788 9.482 ( 0.699 -4.300 -2.472) 5.009 10.229 ( -1.480 8.374 8.172) 11.794 10.877 ( 4.708 -6.154 -5.278) 9.375 11.207 ( -0.434 0.012 -3.282) 3.310 11.414 ( 0.867 -6.976 0.029) 7.030 11.616 ( 2.056 3.733 2.934) 5.173 11.869 ( 7.913 2.910 -0.585) 8.451 12.112 ( 5.975 2.375 7.823) 10.126 12.180 ( 6.033 2.798 1.828) 6.897 12.339 ( -1.902 -1.230 2.363) 3.273 12.567 ( -5.870 -4.450 1.501) 7.518 12.602 ( 2.214 3.422 1.582) 4.372 12.815 ( 2.554 -1.853 -2.080) 3.779 12.992 ( -5.295 5.558 1.726) 7.868 13.391 ( -20.489 -7.167 -9.065) 23.523 14.481 ( 3.221 3.483 5.072) 6.945 14.855 ( 2.937 -5.077 11.005) 12.471 15.109 ( -4.156 2.469 -5.851) 7.589 15.317 ( 5.661 -0.043 -7.883) 9.705 15.614 ( 2.304 1.290 4.723) 5.411 15.776 ( 6.019 4.447 2.296) 7.828 16.124 ( -1.415 -0.842 7.825) 7.996 16.458 ( -3.467 -11.656 3.118) 12.554 17.095 ( -2.436 14.492 -4.958) 15.509 17.869 ( -5.228 -8.956 -6.876) 12.443 18.107 ( -2.811 -0.424 0.016) 2.843 18.134 ( -1.203 -0.443 0.458) 1.361 ======================= Grid point 108 (61/111) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 1.286 14.120 11.582) 18.307 1.455 ( -1.477 9.934 12.892) 16.342 1.600 ( -0.950 -14.319 2.003) 14.490 1.820 ( 0.126 -14.742 9.048) 17.298 2.002 ( 3.008 5.019 2.739) 6.461 2.108 ( 4.380 -4.261 3.034) 6.822 2.498 ( 2.908 6.114 2.858) 7.348 2.598 ( 0.178 0.985 12.057) 12.099 2.753 ( -2.319 14.811 13.326) 20.058 2.977 ( 6.666 -1.094 -2.921) 7.359 3.135 ( -0.850 2.348 -0.427) 2.533 3.178 ( -4.242 -0.283 0.925) 4.351 3.196 ( 2.191 -2.179 0.886) 3.214 3.243 ( 2.319 -8.400 6.376) 10.798 3.491 ( 1.460 3.511 4.633) 5.993 3.540 ( -0.767 0.559 1.757) 1.997 3.603 ( -5.354 3.109 -1.781) 6.442 3.683 ( -3.772 -1.565 -2.859) 4.985 3.857 ( 2.655 0.316 -3.621) 4.501 3.916 ( 3.737 -0.324 -2.627) 4.579 3.991 ( 0.492 -2.439 -4.306) 4.973 4.102 ( 0.074 -10.079 -6.322) 11.898 4.269 ( 3.267 3.031 0.825) 4.532 4.385 ( 2.257 -6.201 1.554) 6.779 4.618 ( -5.096 1.896 -1.954) 5.778 4.626 ( 0.189 1.176 0.620) 1.343 4.868 ( -6.525 6.351 -2.957) 9.573 4.941 ( 2.074 0.835 0.990) 2.445 5.035 ( -3.145 4.992 3.244) 6.733 5.170 ( 2.932 -3.016 -0.480) 4.234 5.317 ( -7.362 2.490 1.657) 7.946 5.443 ( -7.463 -5.978 -2.301) 9.835 5.584 ( -0.121 1.256 -3.235) 3.473 5.671 ( -0.530 -5.153 -3.673) 6.351 5.714 ( -0.996 0.263 -2.551) 2.751 5.745 ( 0.495 -3.131 -3.836) 4.976 6.197 ( 4.644 5.284 4.142) 8.164 6.269 ( 5.542 -1.013 2.034) 5.990 6.405 ( 2.041 0.999 2.768) 3.581 6.445 ( 1.234 -2.686 0.671) 3.031 6.796 ( 3.136 3.659 -2.148) 5.275 6.852 ( -1.060 -0.864 -3.787) 4.026 7.034 ( -0.424 2.300 -0.291) 2.357 7.088 ( -6.850 -2.524 -1.180) 7.395 7.775 ( 1.133 8.993 -4.751) 10.234 7.988 ( 2.549 -11.175 -8.576) 14.315 8.246 ( -0.302 2.222 -1.835) 2.897 8.297 ( 0.512 -2.504 -2.377) 3.490 8.566 ( -2.410 10.680 4.282) 11.756 8.782 ( -2.559 -10.458 6.315) 12.482 9.184 ( 2.791 8.609 -6.272) 11.011 9.350 ( 3.075 -7.820 -4.712) 9.634 10.496 ( -1.452 12.185 5.101) 13.289 10.732 ( 1.010 -10.471 0.099) 10.520 11.230 ( 1.700 2.789 0.892) 3.386 11.308 ( 0.780 -4.896 1.337) 5.135 11.753 ( 1.038 5.565 -0.601) 5.693 11.865 ( 2.502 -5.590 -1.836) 6.393 12.285 ( 0.815 2.934 1.121) 3.245 12.331 ( 1.111 0.635 1.850) 2.250 12.382 ( -3.706 -2.997 1.153) 4.904 12.395 ( 8.092 -2.012 2.215) 8.628 12.788 ( 5.891 4.036 2.398) 7.533 12.853 ( 5.967 -1.906 0.715) 6.305 12.943 ( -11.411 1.695 -1.036) 11.583 12.969 ( -12.810 -0.549 -1.791) 12.946 14.780 ( 7.419 7.252 9.701) 14.203 14.924 ( 5.296 -5.999 9.496) 12.418 15.181 ( 5.955 6.745 -4.825) 10.210 15.310 ( 8.446 -5.506 -6.115) 11.792 15.630 ( -7.084 8.153 -0.656) 10.821 15.818 ( -3.764 -9.595 4.533) 11.259 16.219 ( 4.955 2.260 1.615) 5.680 16.295 ( 2.163 -5.651 1.705) 6.287 17.243 ( -7.389 12.585 -2.741) 14.848 17.477 ( -8.990 -10.503 -3.298) 14.213 18.095 ( -0.524 0.673 0.451) 0.965 18.109 ( -0.657 -0.680 0.351) 1.009 ======================= Grid point 109 (62/111) ======================= q-point: ( 0.11 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 4.617 4.132 13.684) 15.021 1.550 ( -0.075 -7.430 4.889) 8.895 1.726 ( 9.209 9.812 6.312) 14.863 1.968 ( 9.222 -5.035 2.351) 10.767 2.161 ( 10.167 -2.594 6.464) 12.324 2.224 ( 7.667 -3.154 0.558) 8.309 2.513 ( -2.707 12.404 3.562) 13.187 2.728 ( 4.000 -6.854 1.178) 8.023 2.891 ( 3.309 9.263 6.882) 12.005 3.014 ( -1.210 2.472 -4.616) 5.374 3.073 ( -1.529 -3.385 3.715) 5.253 3.108 ( -2.344 -2.046 -2.479) 3.978 3.326 ( 2.952 4.038 5.285) 7.277 3.387 ( 6.064 -2.778 3.160) 7.380 3.467 ( -3.484 5.120 -5.337) 8.176 3.543 ( -1.787 -2.019 5.264) 5.914 3.573 ( -1.759 0.363 8.394) 8.584 3.634 ( -2.028 -3.725 3.899) 5.761 3.769 ( -3.439 -0.105 -9.628) 10.224 3.886 ( -3.490 -6.161 -5.639) 9.052 3.992 ( 3.682 -1.211 -2.743) 4.748 4.052 ( 2.112 -4.444 2.263) 5.416 4.350 ( 0.372 3.356 1.402) 3.656 4.425 ( -1.057 -2.457 2.491) 3.655 4.557 ( 1.267 7.414 1.340) 7.640 4.695 ( 6.849 -3.709 -1.830) 8.001 4.726 ( -5.065 6.711 -1.712) 8.580 4.899 ( -4.186 -6.256 -1.403) 7.657 5.069 ( -0.080 8.496 4.152) 9.457 5.167 ( -6.408 7.576 0.038) 9.923 5.261 ( -0.357 -7.211 0.019) 7.220 5.318 ( -0.853 -5.091 0.268) 5.168 5.540 ( -2.189 -1.491 -1.694) 3.144 5.594 ( -2.840 -3.162 -4.310) 6.053 5.642 ( -2.859 1.822 -2.642) 4.298 5.718 ( 0.226 -6.964 -1.919) 7.227 6.276 ( 0.091 4.904 -0.239) 4.911 6.332 ( 1.471 -0.039 -0.244) 1.492 6.448 ( -0.046 0.717 1.577) 1.734 6.513 ( 2.044 -3.941 5.728) 7.247 6.697 ( -8.216 2.041 -5.825) 10.276 6.711 ( -8.186 0.913 -5.736) 10.037 7.034 ( 2.125 4.374 -0.023) 4.863 7.103 ( 6.126 -2.346 -0.065) 6.560 7.746 ( 1.101 7.741 -3.679) 8.641 7.947 ( 3.051 -10.990 -7.209) 13.492 8.216 ( -1.020 2.888 -1.726) 3.516 8.280 ( -0.010 -3.027 -1.703) 3.474 8.549 ( -5.757 11.976 5.232) 14.281 8.791 ( -4.610 -11.617 6.333) 14.011 9.169 ( 3.868 9.711 -6.773) 12.456 9.364 ( 4.853 -9.411 -5.257) 11.821 10.505 ( -3.885 11.897 5.047) 13.494 10.729 ( -1.118 -9.743 -0.042) 9.808 11.279 ( 1.353 1.935 2.151) 3.195 11.327 ( -0.747 -2.745 1.492) 3.213 11.744 ( 0.060 6.222 -2.338) 6.647 11.870 ( 1.286 -6.533 -2.970) 7.291 12.280 ( -1.920 0.421 1.645) 2.563 12.311 ( -3.319 -2.025 1.207) 4.071 12.419 ( 3.829 5.432 1.141) 6.744 12.519 ( 3.078 -4.143 1.444) 5.360 12.716 ( -9.794 4.584 -1.678) 10.943 12.805 ( -4.886 -3.569 -2.121) 6.411 12.935 ( 6.729 2.605 3.447) 7.997 12.990 ( 6.796 -2.188 2.504) 7.566 14.962 ( 5.991 6.260 1.315) 8.764 15.053 ( 2.882 -0.643 2.039) 3.588 15.288 ( 6.330 5.238 3.001) 8.747 15.407 ( 3.449 -5.420 0.053) 6.425 15.498 ( -2.024 8.881 -3.822) 9.878 15.751 ( -4.666 -13.482 -1.198) 14.317 16.342 ( 7.317 1.530 1.594) 7.644 16.393 ( 6.428 -3.194 4.729) 8.596 17.089 ( -10.178 10.721 0.888) 14.810 17.295 ( -8.289 -9.629 -3.988) 13.316 18.100 ( 0.260 0.414 0.672) 0.831 18.109 ( -0.025 -0.428 0.552) 0.699 ======================= Grid point 110 (63/111) ======================= q-point: ( 0.22 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 1.723 -0.793 8.988) 9.186 1.621 ( 2.366 -2.979 6.659) 7.669 1.900 ( 9.704 12.426 -3.854) 16.231 2.157 ( 9.645 -8.541 -0.702) 12.902 2.337 ( 9.677 7.783 -2.609) 12.689 2.436 ( 12.301 -2.023 1.994) 12.625 2.559 ( 1.099 8.823 9.346) 12.900 2.759 ( 2.939 -7.971 -5.227) 9.975 2.861 ( -7.323 3.930 -1.993) 8.547 2.972 ( -0.730 1.965 -4.731) 5.175 2.997 ( -5.280 -1.147 4.523) 7.046 3.158 ( 6.767 -7.828 -7.072) 12.534 3.331 ( -3.250 5.710 -1.612) 6.765 3.399 ( -1.880 -0.165 4.335) 4.728 3.475 ( 1.607 0.209 1.096) 1.956 3.527 ( -4.023 -4.293 -1.997) 6.214 3.637 ( 0.953 -0.294 -3.124) 3.280 3.659 ( -3.761 -2.426 9.832) 10.803 3.690 ( -0.536 3.248 10.928) 11.413 3.800 ( -0.053 -6.119 -2.381) 6.566 4.069 ( 6.760 1.832 -0.562) 7.027 4.129 ( 2.024 -1.715 1.538) 3.066 4.332 ( -2.300 4.532 2.734) 5.771 4.448 ( 0.545 -5.238 4.454) 6.897 4.574 ( -4.179 9.815 0.414) 10.676 4.689 ( 1.073 5.433 0.679) 5.580 4.761 ( 2.872 -4.381 -3.700) 6.413 4.851 ( 0.469 -4.982 -0.800) 5.068 5.054 ( -0.982 0.182 -2.042) 2.273 5.070 ( -4.827 0.712 -1.352) 5.063 5.280 ( 3.768 5.810 3.128) 7.598 5.404 ( 4.389 -3.634 2.896) 6.392 5.483 ( -2.644 -1.508 -0.450) 3.077 5.520 ( -1.690 -4.110 -0.491) 4.471 5.591 ( -2.040 3.316 1.086) 4.042 5.717 ( 0.510 -9.333 1.228) 9.427 6.206 ( -5.605 2.516 -4.597) 7.673 6.254 ( -7.710 -2.283 -6.273) 10.198 6.419 ( -9.205 1.784 -4.341) 10.333 6.422 ( -7.386 1.473 -2.481) 7.929 6.573 ( 0.942 4.095 1.436) 4.441 6.662 ( 2.197 -3.979 4.200) 6.189 7.089 ( 3.482 7.053 -0.073) 7.866 7.201 ( 5.074 -3.848 -0.147) 6.370 7.732 ( 1.445 7.451 -3.033) 8.173 7.936 ( 4.276 -11.635 -6.416) 13.958 8.181 ( -1.433 3.956 -0.550) 4.244 8.261 ( -0.620 -3.464 -0.599) 3.569 8.492 ( -8.316 13.031 6.168) 16.643 8.764 ( -6.965 -13.209 6.633) 16.339 9.166 ( 5.032 11.275 -7.598) 14.498 9.391 ( 5.648 -10.676 -6.065) 13.515 10.481 ( -5.217 11.856 4.893) 13.847 10.702 ( -1.816 -9.476 -0.293) 9.653 11.301 ( -0.918 0.615 0.627) 1.270 11.315 ( -1.406 -0.826 0.389) 1.676 11.721 ( 0.449 6.427 -2.168) 6.797 11.850 ( 0.390 -6.675 -3.006) 7.331 12.228 ( -7.113 4.014 3.378) 8.839 12.304 ( -0.872 -3.489 1.949) 4.090 12.480 ( 2.260 3.164 0.205) 3.894 12.527 ( -2.510 -2.323 0.546) 3.463 12.600 ( 0.309 6.775 -3.805) 7.777 12.758 ( 2.185 -6.971 -3.613) 8.150 13.083 ( 5.295 1.470 4.718) 7.243 13.126 ( 5.182 -2.298 3.869) 6.864 15.008 ( 1.253 7.746 -4.914) 9.259 15.073 ( 1.094 4.415 -2.467) 5.175 15.288 ( 0.292 -1.995 -7.386) 7.656 15.394 ( -5.928 -8.605 -0.834) 10.483 15.570 ( 7.774 6.805 3.798) 11.008 15.734 ( 2.489 -9.012 2.318) 9.633 16.506 ( 10.908 7.940 1.033) 13.531 16.591 ( 4.562 -0.279 12.560) 13.366 16.918 ( -14.104 6.569 4.676) 16.246 17.118 ( -3.408 -12.587 -9.711) 16.259 18.114 ( 0.280 0.150 0.857) 0.914 18.117 ( 0.112 -0.182 0.746) 0.776 ======================= Grid point 111 (64/111) ======================= q-point: ( 0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -0.759 0.858 4.176) 4.330 1.705 ( -0.422 -2.574 3.661) 4.495 1.993 ( 8.821 13.401 -6.282) 17.229 2.231 ( 5.952 -5.197 -7.150) 10.656 2.445 ( 2.033 5.661 -2.106) 6.373 2.525 ( -1.217 3.705 -4.622) 6.047 2.668 ( 3.249 1.641 0.112) 3.642 2.683 ( -0.302 0.076 -4.459) 4.470 2.864 ( 4.239 -4.309 -0.012) 6.045 2.871 ( -1.323 -0.725 -1.038) 1.831 3.010 ( -0.222 1.311 3.908) 4.128 3.140 ( 3.343 -9.558 -5.487) 11.517 3.296 ( -0.895 8.287 2.527) 8.710 3.455 ( -1.934 1.622 3.108) 4.004 3.462 ( 1.561 -6.108 1.816) 6.561 3.522 ( 2.055 -4.879 -0.224) 5.299 3.617 ( -2.488 1.234 1.896) 3.363 3.705 ( -0.242 -6.165 2.366) 6.608 3.743 ( -3.285 6.965 9.032) 11.869 3.866 ( 1.746 -4.166 7.644) 8.879 4.121 ( 2.893 2.452 -3.599) 5.228 4.176 ( 4.251 -1.722 -2.286) 5.124 4.350 ( -1.190 7.194 4.985) 8.832 4.467 ( -3.385 2.578 -0.442) 4.278 4.556 ( 1.004 -2.924 3.350) 4.558 4.650 ( -5.586 -4.390 2.853) 7.656 4.795 ( 4.510 3.209 -4.038) 6.851 4.820 ( -3.919 2.144 2.345) 5.045 4.968 ( -2.881 -0.511 -4.724) 5.557 5.051 ( 5.229 -6.548 -7.012) 10.926 5.374 ( 0.320 5.124 1.341) 5.306 5.422 ( -1.712 -0.244 -1.215) 2.113 5.475 ( 0.106 1.108 1.002) 1.498 5.550 ( -1.548 -5.772 3.985) 7.182 5.630 ( 4.593 4.545 3.890) 7.543 5.772 ( 1.317 -9.039 4.199) 10.053 5.990 ( -10.928 0.737 -4.284) 11.761 6.000 ( -9.213 -0.223 -4.015) 10.052 6.280 ( -2.816 2.350 -3.112) 4.810 6.313 ( -1.193 -1.051 -4.480) 4.753 6.642 ( 1.671 4.843 3.927) 6.455 6.734 ( 0.772 -3.685 3.934) 5.445 7.128 ( 1.462 7.740 -0.796) 7.917 7.256 ( 2.274 -4.613 -1.345) 5.316 7.724 ( 1.681 8.019 -3.517) 8.917 7.940 ( 4.725 -12.294 -7.070) 14.948 8.169 ( -0.288 4.418 1.329) 4.623 8.254 ( -0.185 -3.278 0.759) 3.370 8.414 ( -9.384 13.419 7.036) 17.822 8.709 ( -8.453 -14.683 7.287) 18.443 9.170 ( 5.879 12.487 -8.487) 16.202 9.416 ( 5.607 -11.368 -6.833) 14.400 10.443 ( -5.451 12.135 4.717) 14.115 10.668 ( -1.627 -9.658 -0.535) 9.809 11.273 ( -1.068 1.503 -1.069) 2.131 11.302 ( -0.307 -1.315 -0.100) 1.354 11.713 ( 0.635 5.298 -1.392) 5.514 11.820 ( -0.480 -5.597 -2.576) 6.180 12.140 ( -7.272 7.090 3.252) 10.664 12.290 ( -3.472 -6.965 1.571) 7.939 12.480 ( 0.587 4.242 -1.833) 4.658 12.529 ( 2.233 -1.853 0.229) 2.911 12.626 ( 5.422 5.271 -3.349) 8.270 12.760 ( 2.202 -5.810 -3.728) 7.245 13.197 ( 1.278 1.102 5.852) 6.090 13.242 ( 3.631 -3.351 4.280) 6.537 14.904 ( -3.744 11.281 -6.982) 13.785 15.071 ( 2.319 0.786 -5.011) 5.577 15.210 ( -1.657 -6.139 -9.030) 11.044 15.283 ( 0.823 -7.323 -4.110) 8.437 15.735 ( 5.683 3.740 4.048) 7.917 15.820 ( 2.256 -4.761 4.680) 7.047 16.603 ( -3.493 15.854 -6.041) 17.322 16.700 ( -13.517 8.291 7.310) 17.461 16.818 ( -1.248 -1.779 18.808) 18.934 17.076 ( 14.461 -18.485 -9.369) 25.271 18.126 ( -0.057 0.065 0.933) 0.937 18.128 ( -0.050 -0.110 0.983) 0.990 ======================= Grid point 112 (65/111) ======================= q-point: (-0.56 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -4.517 2.260 0.648) 5.092 1.713 ( -1.918 -3.869 2.172) 4.834 2.053 ( 6.296 13.625 -7.110) 16.608 2.170 ( -5.086 5.445 -9.754) 12.274 2.358 ( -3.364 -2.236 -1.796) 4.420 2.385 ( -6.536 -2.656 -7.658) 10.412 2.665 ( 3.488 5.180 -2.797) 6.843 2.740 ( 5.683 -0.011 -3.431) 6.639 2.882 ( 1.363 -4.215 -3.884) 5.892 2.886 ( 1.693 -3.307 1.522) 4.015 3.083 ( 0.746 2.401 5.865) 6.381 3.189 ( 2.397 -8.539 -0.050) 8.869 3.319 ( 2.286 8.045 -1.114) 8.437 3.443 ( -0.560 -1.281 1.633) 2.150 3.531 ( 1.010 -4.353 4.220) 6.147 3.547 ( 4.459 -7.690 -3.257) 9.467 3.611 ( -3.700 4.801 6.550) 8.925 3.718 ( -1.370 -4.097 3.984) 5.877 3.790 ( -2.669 8.098 5.462) 10.126 3.916 ( -1.231 -3.791 0.340) 4.000 4.181 ( 2.501 5.115 4.855) 7.482 4.214 ( 1.175 1.209 2.941) 3.390 4.376 ( 0.009 1.670 1.887) 2.520 4.421 ( -1.437 0.114 1.777) 2.288 4.545 ( -1.669 -3.664 -3.334) 5.228 4.591 ( -7.930 -5.014 5.252) 10.753 4.792 ( -2.409 4.378 5.000) 7.069 4.868 ( -0.519 -3.780 4.317) 5.761 4.888 ( 5.124 6.373 -8.867) 12.062 5.037 ( 1.959 -7.373 -7.913) 10.991 5.252 ( -8.529 2.805 -8.219) 12.173 5.299 ( -9.286 -1.276 -8.552) 12.688 5.473 ( 1.359 2.834 0.798) 3.243 5.544 ( -1.065 -3.644 2.458) 4.523 5.680 ( -0.206 1.829 0.207) 1.852 5.734 ( -3.927 -3.215 1.666) 5.342 5.990 ( 4.713 2.071 3.381) 6.159 6.036 ( 7.405 -3.161 3.664) 8.846 6.251 ( 2.049 1.087 1.305) 2.661 6.283 ( 2.592 -1.936 -1.192) 3.448 6.694 ( 0.214 4.198 2.846) 5.076 6.769 ( -0.862 -2.744 2.744) 3.975 7.115 ( -1.065 7.458 -2.090) 7.818 7.243 ( -0.820 -4.842 -3.196) 5.860 7.717 ( 3.194 9.224 -4.900) 10.922 7.943 ( 5.638 -11.718 -7.966) 15.250 8.197 ( 1.028 3.637 2.314) 4.432 8.273 ( 0.675 -1.802 1.648) 2.533 8.345 ( -8.133 12.356 7.742) 16.696 8.652 ( -8.140 -15.638 8.130) 19.414 9.176 ( 6.323 12.963 -9.213) 17.114 9.428 ( 5.021 -11.399 -7.412) 14.494 10.407 ( -5.013 12.552 4.735) 14.321 10.639 ( -1.001 -10.127 -0.528) 10.190 11.263 ( 0.846 2.778 0.084) 2.905 11.317 ( 1.740 -2.520 1.246) 3.305 11.700 ( -0.129 3.732 -2.173) 4.321 11.777 ( -1.298 -4.049 -2.866) 5.128 12.068 ( -5.048 8.462 2.551) 10.178 12.235 ( -3.426 -6.265 -0.372) 7.151 12.489 ( 1.952 4.093 -1.168) 4.683 12.567 ( 2.062 -3.019 -0.478) 3.687 12.675 ( 4.347 2.748 -3.112) 6.011 12.747 ( 0.998 -3.304 -3.316) 4.786 13.250 ( -2.756 2.981 6.491) 7.656 13.339 ( 2.008 -5.931 4.857) 7.925 14.777 ( -1.574 9.531 -7.829) 12.434 14.975 ( -3.713 -9.642 -9.497) 14.034 15.153 ( 3.628 6.417 -3.526) 8.172 15.304 ( 4.540 -7.657 -1.811) 9.084 15.823 ( 1.599 3.992 0.154) 4.303 15.897 ( 0.971 -3.824 4.174) 5.744 16.381 ( -12.134 7.341 -5.034) 15.049 16.462 ( -15.639 -0.036 -1.150) 15.681 17.072 ( 6.776 8.540 14.030) 17.768 17.303 ( 14.527 -13.364 1.665) 19.809 18.133 ( -0.285 0.081 1.043) 1.084 18.135 ( -0.393 -0.106 1.115) 1.187 ======================= Grid point 113 (66/111) ======================= q-point: (-0.44 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -6.039 4.930 1.175) 7.884 1.699 ( -3.054 -7.836 3.150) 8.981 1.901 ( -12.173 12.076 -8.955) 19.344 2.044 ( 1.700 6.601 -7.490) 10.128 2.182 ( -8.157 -2.368 -5.128) 9.921 2.299 ( -3.129 -3.787 -2.817) 5.663 2.645 ( -2.302 5.289 -5.130) 7.719 2.760 ( -1.109 -3.219 -2.459) 4.200 2.870 ( 5.543 3.177 -1.030) 6.471 3.016 ( 10.698 -8.613 -0.957) 13.768 3.110 ( -2.001 0.410 1.530) 2.552 3.151 ( -6.443 -3.913 1.746) 7.737 3.373 ( 6.001 4.578 -2.678) 8.009 3.452 ( -0.369 -2.573 1.061) 2.808 3.559 ( -8.733 2.012 6.430) 11.030 3.584 ( -3.583 2.849 0.527) 4.608 3.617 ( 3.941 -4.109 -1.030) 5.785 3.676 ( -5.807 -3.064 -0.381) 6.576 3.810 ( 0.842 7.627 3.713) 8.524 3.928 ( -1.238 -3.893 5.448) 6.809 4.173 ( -3.626 9.810 4.378) 11.338 4.325 ( -1.541 2.673 8.440) 8.987 4.377 ( -0.260 -5.692 0.680) 5.738 4.434 ( -3.472 -5.479 -2.284) 6.877 4.471 ( -5.846 -0.434 -0.111) 5.863 4.540 ( -1.799 -4.544 7.811) 9.214 4.783 ( -0.522 4.763 -1.024) 4.899 4.836 ( -2.667 0.249 1.355) 3.002 4.924 ( 0.296 3.617 -5.963) 6.981 5.005 ( 6.185 -3.495 0.642) 7.133 5.074 ( -0.229 0.953 -7.040) 7.108 5.120 ( 1.250 -3.943 -6.622) 7.807 5.528 ( 2.307 2.587 3.035) 4.607 5.603 ( 3.229 -3.837 4.009) 6.420 5.689 ( 1.094 1.463 0.626) 1.931 5.728 ( 0.277 -2.156 1.731) 2.779 6.003 ( -0.243 4.697 -6.299) 7.861 6.091 ( 2.066 -4.383 -7.168) 8.652 6.387 ( 5.952 -0.212 5.556) 8.145 6.414 ( 6.501 -2.997 5.928) 9.294 6.717 ( -0.173 3.394 2.065) 3.977 6.771 ( -1.123 -1.616 1.478) 2.461 7.065 ( -1.246 6.306 -2.123) 6.769 7.173 ( -2.199 -4.216 -3.821) 6.100 7.731 ( 5.844 10.500 -6.275) 13.557 7.962 ( 7.450 -11.028 -8.534) 15.810 8.239 ( 0.439 3.531 2.552) 4.379 8.300 ( -0.814 6.194 3.527) 7.174 8.325 ( -2.767 3.834 5.604) 7.333 8.623 ( -6.065 -15.674 8.705) 18.927 9.183 ( 6.521 12.648 -9.284) 16.991 9.425 ( 4.312 -10.778 -7.449) 13.793 10.382 ( -4.155 12.925 4.848) 14.416 10.625 ( -0.177 -10.805 -0.332) 10.811 11.307 ( 2.303 3.842 2.845) 5.306 11.381 ( 2.176 -3.413 3.212) 5.167 11.665 ( 0.318 2.085 -3.619) 4.189 11.714 ( -1.657 -2.745 -4.305) 5.368 12.024 ( -3.262 9.079 1.925) 9.837 12.175 ( -2.373 -4.006 -1.748) 4.973 12.504 ( 0.521 2.529 -0.610) 2.653 12.577 ( -0.020 -3.670 -0.706) 3.737 12.694 ( 1.850 1.174 -3.297) 3.959 12.729 ( 0.876 -1.972 -2.667) 3.431 13.257 ( -4.694 6.328 6.945) 10.502 13.414 ( 0.360 -9.086 5.511) 10.633 14.686 ( 0.286 5.494 -7.287) 9.130 14.802 ( -3.942 -5.982 -10.103) 12.385 15.214 ( 4.896 8.796 1.489) 10.176 15.383 ( 4.527 -6.979 1.688) 8.488 15.771 ( -4.373 6.165 -5.385) 9.281 15.896 ( -5.965 -5.972 -1.294) 8.540 16.148 ( -8.879 4.281 -1.970) 10.052 16.254 ( -5.553 -6.071 -1.334) 8.335 17.306 ( 4.888 12.053 10.500) 16.716 17.543 ( 10.067 -11.244 3.859) 15.578 18.138 ( -0.659 0.110 1.162) 1.340 18.140 ( -0.450 -0.120 1.156) 1.247 ======================= Grid point 114 (67/111) ======================= q-point: (-0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -9.252 9.790 1.533) 13.557 1.608 ( -10.633 12.770 -1.029) 16.649 1.705 ( -3.479 -9.801 3.113) 10.856 1.929 ( -6.231 -12.526 -4.616) 14.732 2.063 ( -2.365 8.138 -2.258) 8.770 2.179 ( -7.850 -1.744 -1.027) 8.107 2.534 ( -3.382 4.375 -5.972) 8.139 2.694 ( -0.648 -7.907 -4.115) 8.937 2.943 ( -0.725 6.106 -0.672) 6.186 3.019 ( -8.878 0.896 1.901) 9.124 3.115 ( 2.656 -2.047 2.460) 4.159 3.156 ( -3.300 -3.247 1.847) 4.984 3.291 ( -13.571 9.349 3.233) 16.794 3.415 ( -1.647 0.977 -2.815) 3.405 3.492 ( 0.296 -1.370 -1.042) 1.747 3.556 ( -0.961 -4.152 7.667) 8.772 3.607 ( -2.367 1.430 -0.726) 2.859 3.661 ( 2.290 -3.326 -2.373) 4.684 3.802 ( -4.575 3.518 -0.724) 5.816 3.871 ( -6.242 -2.396 -2.571) 7.163 4.218 ( -3.878 4.483 5.661) 8.197 4.324 ( 0.402 0.798 -0.476) 1.012 4.355 ( 2.227 -4.103 -3.081) 5.593 4.374 ( -1.056 -3.030 -0.929) 3.341 4.466 ( 0.662 3.294 9.826) 10.384 4.590 ( -0.470 -6.470 3.348) 7.300 4.775 ( 1.555 3.598 -2.117) 4.454 4.828 ( 3.342 -2.282 -3.480) 5.338 4.973 ( 3.556 7.132 3.741) 8.803 5.056 ( 4.979 0.189 0.518) 5.009 5.136 ( 4.680 -1.925 -0.248) 5.067 5.193 ( 7.895 -5.223 5.983) 11.199 5.598 ( 1.659 3.748 2.695) 4.905 5.679 ( 1.688 -3.379 0.985) 3.904 5.758 ( 3.717 0.922 3.395) 5.118 5.782 ( 3.860 -1.005 2.334) 4.622 5.905 ( -0.395 4.894 -8.874) 10.141 6.018 ( 1.351 -6.256 -8.979) 11.027 6.462 ( -1.362 1.534 0.707) 2.170 6.501 ( -0.358 -2.233 0.026) 2.261 6.726 ( -0.720 3.591 -0.628) 3.716 6.794 ( 1.904 -2.519 1.482) 3.488 7.061 ( 1.514 3.583 0.145) 3.893 7.133 ( 1.200 -3.163 0.780) 3.471 7.770 ( 7.005 11.229 -6.864) 14.908 8.001 ( 8.312 -10.719 -8.958) 16.255 8.265 ( -0.202 3.236 2.183) 3.909 8.329 ( 0.937 0.596 0.290) 1.148 8.358 ( -1.068 8.747 7.040) 11.278 8.640 ( -3.193 -14.468 8.462) 17.062 9.195 ( 6.401 11.669 -8.388) 15.732 9.414 ( 3.598 -9.540 -6.741) 12.223 10.375 ( -2.836 13.002 4.889) 14.177 10.627 ( 0.771 -11.517 -0.232) 11.545 11.374 ( 0.622 2.309 2.601) 3.533 11.398 ( -2.228 -0.389 -1.816) 2.901 11.641 ( -0.532 0.711 -3.533) 3.643 11.683 ( 4.303 -3.061 0.801) 5.341 12.004 ( -1.259 8.958 1.713) 9.207 12.128 ( -0.637 -2.433 -1.720) 3.047 12.480 ( -2.841 2.765 -0.193) 3.969 12.563 ( -1.215 -4.595 0.266) 4.760 12.669 ( -0.323 1.831 -2.926) 3.467 12.722 ( 1.865 -3.057 -3.057) 4.708 13.250 ( -5.071 9.227 6.681) 12.470 13.463 ( -1.644 -11.770 4.898) 12.854 14.625 ( 0.199 0.332 -4.846) 4.861 14.636 ( -4.030 -0.701 -7.707) 8.725 15.339 ( 4.437 9.395 5.571) 11.790 15.437 ( -0.158 1.237 -1.905) 2.277 15.638 ( -6.654 -2.701 -5.657) 9.142 15.682 ( -6.089 -5.890 -2.885) 8.949 16.088 ( -0.986 4.371 1.551) 4.742 16.219 ( -0.376 -9.088 1.197) 9.174 17.446 ( 1.582 14.040 5.226) 15.064 17.702 ( 5.098 -11.312 1.737) 12.529 18.138 ( -0.800 0.208 1.146) 1.412 18.144 ( -0.673 -0.319 1.116) 1.342 ======================= Grid point 115 (68/111) ======================= q-point: (-0.22 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -11.607 19.073 -0.844) 22.343 1.539 ( -8.962 14.417 12.489) 21.075 1.655 ( -5.141 -18.045 -0.167) 18.764 1.838 ( -4.849 -13.280 4.813) 14.935 1.990 ( -3.390 2.994 -0.677) 4.573 2.054 ( -7.947 -2.913 2.172) 8.739 2.422 ( -3.720 7.813 -2.587) 9.032 2.612 ( -5.537 -9.372 -2.869) 11.257 2.829 ( -16.129 12.981 8.526) 22.391 2.895 ( -4.833 2.886 0.908) 5.702 3.026 ( -3.776 3.615 2.794) 5.927 3.171 ( -1.883 -5.808 4.627) 7.660 3.290 ( -0.006 1.089 0.635) 1.261 3.338 ( -0.490 -3.176 -0.400) 3.238 3.501 ( -1.972 2.755 -2.124) 3.999 3.539 ( -3.725 0.115 -3.782) 5.310 3.623 ( 5.167 -1.371 0.673) 5.388 3.668 ( 1.837 -2.025 1.598) 3.167 3.733 ( -4.269 1.922 2.125) 5.142 3.818 ( 3.309 -4.714 0.099) 5.760 4.151 ( -1.865 7.382 -6.818) 10.220 4.267 ( -3.505 -1.904 -7.546) 8.536 4.332 ( 0.846 -4.040 0.481) 4.156 4.377 ( 0.818 -4.844 -5.168) 7.130 4.596 ( 0.684 3.643 6.735) 7.688 4.693 ( 5.265 -1.655 7.401) 9.233 4.792 ( 0.306 1.383 0.170) 1.427 4.839 ( 1.683 -2.338 -0.693) 2.963 5.072 ( 3.921 6.347 2.007) 7.726 5.156 ( 4.027 -0.842 0.958) 4.224 5.248 ( 4.751 3.369 5.290) 7.868 5.400 ( 6.693 -8.281 8.576) 13.672 5.628 ( 1.910 3.716 -1.948) 4.610 5.695 ( 0.512 -2.454 -2.300) 3.402 5.780 ( -0.902 0.473 -4.989) 5.092 5.785 ( -1.024 -0.554 -3.156) 3.364 5.940 ( 7.830 3.403 2.399) 8.868 6.032 ( 6.222 -5.373 0.136) 8.222 6.404 ( -3.160 3.117 -1.231) 4.606 6.450 ( -2.569 -0.678 -2.754) 3.827 6.703 ( 0.684 5.247 -1.555) 5.515 6.824 ( 1.390 -5.443 -0.883) 5.686 7.089 ( 0.529 5.308 1.427) 5.522 7.205 ( 1.543 -5.631 3.661) 6.891 7.803 ( 5.425 11.285 -6.598) 14.154 8.035 ( 7.256 -11.016 -9.351) 16.169 8.276 ( -0.298 1.914 0.384) 1.974 8.330 ( 0.288 -2.604 -1.341) 2.944 8.442 ( 1.765 11.612 6.499) 13.423 8.690 ( -1.370 -12.345 7.445) 14.481 9.209 ( 5.139 10.285 -7.103) 13.514 9.396 ( 2.319 -7.927 -5.795) 10.090 10.396 ( -0.973 12.686 4.970) 13.659 10.648 ( 2.190 -11.833 -0.155) 12.035 11.302 ( -2.923 1.628 -5.241) 6.218 11.347 ( -2.625 -2.619 -2.814) 4.655 11.656 ( 2.348 5.965 2.338) 6.823 11.779 ( 3.065 -5.653 2.740) 6.990 12.043 ( 3.700 7.275 3.205) 8.769 12.131 ( 2.495 -1.242 0.107) 2.789 12.419 ( -4.219 3.894 0.326) 5.750 12.529 ( -4.327 -6.448 1.441) 7.898 12.647 ( 1.935 4.016 -2.385) 5.055 12.727 ( 2.798 -3.792 -2.797) 5.480 13.218 ( -6.473 9.475 4.107) 12.187 13.434 ( -6.857 -12.085 1.045) 13.934 14.529 ( -1.911 3.482 -0.967) 4.088 14.610 ( 0.769 -4.488 1.918) 4.941 15.309 ( -2.576 4.213 -7.665) 9.118 15.385 ( -3.873 -3.224 -9.804) 11.023 15.550 ( 3.696 9.035 9.061) 13.318 15.724 ( -0.111 -7.108 7.361) 10.233 16.103 ( 0.544 4.421 1.754) 4.787 16.236 ( 0.296 -9.155 1.503) 9.282 17.468 ( -1.793 14.671 -0.527) 14.789 17.740 ( -0.352 -12.236 -2.104) 12.420 18.132 ( -1.313 0.106 0.680) 1.482 18.139 ( -1.160 -0.467 0.701) 1.433 ======================= Grid point 116 (69/111) ======================= q-point: (-0.11 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -5.129 20.712 5.169) 21.955 1.458 ( -15.958 14.014 14.373) 25.644 1.608 ( 0.529 -19.632 -1.862) 19.727 1.809 ( -9.631 -14.577 11.293) 20.804 1.962 ( -1.409 2.481 1.074) 3.049 2.015 ( 1.147 -2.903 4.614) 5.571 2.398 ( -1.017 6.503 6.713) 9.401 2.528 ( -3.202 -5.322 4.648) 7.758 2.722 ( -9.027 18.976 10.608) 23.539 2.899 ( 3.784 1.944 -0.608) 4.297 3.051 ( 4.047 -1.630 0.451) 4.386 3.177 ( -4.827 -12.966 8.869) 16.434 3.269 ( -3.461 3.020 -1.554) 4.849 3.286 ( -5.030 0.391 -1.967) 5.415 3.436 ( 0.803 4.089 -0.452) 4.191 3.515 ( 2.070 -1.741 -0.856) 2.837 3.683 ( -2.478 3.972 0.505) 4.709 3.730 ( -0.264 1.372 1.749) 2.238 3.760 ( 7.453 -0.351 2.179) 7.773 3.879 ( 2.835 -6.469 -0.103) 7.064 4.075 ( 3.217 2.534 -9.726) 10.553 4.116 ( -1.196 -0.911 -8.533) 8.664 4.306 ( -3.167 -4.596 -2.052) 5.947 4.351 ( 2.069 -7.603 -2.093) 8.153 4.630 ( -1.832 6.653 2.250) 7.258 4.730 ( -4.852 -1.992 -1.039) 5.346 4.848 ( 3.624 4.078 4.972) 7.381 4.900 ( 2.662 -0.539 2.766) 3.877 5.087 ( -2.361 4.715 -2.129) 5.686 5.180 ( -0.351 -3.136 -1.804) 3.635 5.358 ( -0.172 5.464 4.542) 7.108 5.529 ( -1.708 -7.734 3.345) 8.598 5.629 ( -0.327 1.697 -4.244) 4.583 5.673 ( 2.941 -2.852 0.328) 4.109 5.726 ( 0.508 0.780 -3.661) 3.777 5.763 ( 2.510 -2.374 -4.025) 5.305 6.092 ( 5.601 2.613 1.854) 6.452 6.134 ( 6.162 -1.599 1.052) 6.452 6.385 ( -1.166 1.887 1.526) 2.692 6.402 ( 1.491 0.247 -0.213) 1.526 6.734 ( 4.351 4.868 -0.849) 6.584 6.843 ( 2.880 -4.892 -1.689) 5.923 7.083 ( -2.816 5.739 0.320) 6.401 7.206 ( -4.929 -6.037 1.027) 7.861 7.802 ( 2.658 10.551 -5.825) 12.341 8.031 ( 4.460 -11.519 -9.458) 15.557 8.266 ( -0.310 2.028 -0.967) 2.268 8.316 ( 0.363 -2.513 -2.238) 3.385 8.531 ( 1.127 10.319 4.508) 11.317 8.744 ( -1.395 -10.594 6.574) 12.546 9.205 ( 3.119 8.914 -6.346) 11.378 9.366 ( 1.440 -6.943 -5.021) 8.689 10.447 ( 0.197 12.388 5.162) 13.422 10.694 ( 3.017 -11.419 0.091) 11.811 11.227 ( -0.490 2.126 -2.648) 3.431 11.294 ( -0.150 -4.624 -1.114) 4.758 11.721 ( 1.970 5.831 1.863) 6.431 11.833 ( 2.255 -4.763 0.163) 5.272 12.184 ( 6.527 3.140 4.114) 8.330 12.217 ( 6.618 0.091 2.508) 7.078 12.357 ( -3.582 3.572 0.651) 5.100 12.458 ( -5.484 -5.647 1.048) 7.941 12.687 ( 4.419 4.279 -0.110) 6.153 12.764 ( 4.687 -3.240 -1.446) 5.879 13.112 ( -9.128 6.236 0.601) 11.071 13.244 ( -14.400 -6.987 -2.338) 16.175 14.580 ( 3.908 6.151 7.273) 10.296 14.719 ( 4.530 -7.389 9.923) 13.176 15.198 ( 0.585 5.302 -7.899) 9.532 15.288 ( 4.423 -3.116 -9.626) 11.042 15.683 ( -1.613 4.967 7.369) 9.032 15.781 ( -1.233 -3.605 6.802) 7.796 16.144 ( 1.934 3.445 2.131) 4.489 16.259 ( 0.571 -7.818 1.492) 7.979 17.385 ( -4.844 13.942 -3.933) 15.275 17.649 ( -6.047 -12.227 -4.215) 14.277 18.110 ( -1.595 0.515 0.273) 1.698 18.123 ( -1.277 -0.668 0.340) 1.481 ======================= Grid point 135 (70/111) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 3.061 0.000 5.616) 6.396 1.624 ( 2.566 0.000 18.315) 18.494 1.853 ( -2.946 0.000 -8.006) 8.531 1.974 ( -10.303 0.000 20.860) 23.265 2.064 ( 3.189 0.000 -2.985) 4.368 2.295 ( -11.096 0.000 13.627) 17.573 2.574 ( 9.913 0.000 9.982) 14.067 2.592 ( -8.917 0.000 6.944) 11.302 2.910 ( 9.547 0.000 0.570) 9.564 2.979 ( 7.504 0.000 -12.381) 14.478 3.036 ( -4.543 0.000 0.111) 4.544 3.079 ( 5.077 0.000 2.586) 5.698 3.142 ( -2.849 0.000 8.815) 9.264 3.233 ( 0.877 0.000 -1.863) 2.059 3.444 ( 7.866 0.000 2.757) 8.335 3.614 ( -8.669 0.000 3.254) 9.260 3.668 ( 5.653 0.000 -1.352) 5.812 3.763 ( 0.770 0.000 9.529) 9.560 3.869 ( -0.214 0.000 2.516) 2.525 3.902 ( -0.995 0.000 -8.844) 8.900 4.158 ( -6.583 0.000 -8.985) 11.139 4.219 ( -4.613 0.000 2.453) 5.224 4.234 ( -0.714 0.000 -11.324) 11.347 4.361 ( 1.285 0.000 0.668) 1.448 4.452 ( 1.811 0.000 -1.355) 2.262 4.575 ( -1.680 0.000 -9.365) 9.515 4.743 ( -0.140 0.000 7.660) 7.662 4.881 ( 10.934 0.000 1.769) 11.076 4.907 ( -0.219 0.000 -1.377) 1.395 5.134 ( -5.477 0.000 3.269) 6.378 5.184 ( -3.116 0.000 -9.315) 9.822 5.340 ( -2.385 0.000 -6.905) 7.305 5.632 ( 2.933 0.000 0.588) 2.992 5.646 ( -3.579 0.000 -0.154) 3.583 5.948 ( 3.716 0.000 1.237) 3.917 6.001 ( -2.561 0.000 -1.287) 2.867 6.172 ( -0.869 0.000 1.430) 1.673 6.266 ( 2.882 0.000 1.451) 3.227 6.355 ( 3.529 0.000 1.199) 3.728 6.452 ( 9.764 0.000 5.169) 11.048 6.586 ( -0.053 0.000 -6.421) 6.421 6.704 ( -9.208 0.000 -5.439) 10.694 6.958 ( 10.657 0.000 0.155) 10.658 7.040 ( -11.278 0.000 -2.877) 11.639 7.877 ( -4.869 0.000 5.337) 7.224 8.118 ( 3.289 0.000 -3.684) 4.939 8.189 ( -4.269 0.000 0.812) 4.345 8.268 ( 1.683 0.000 -0.787) 1.858 8.366 ( -1.165 0.000 0.915) 1.482 8.678 ( 5.105 0.000 -9.811) 11.060 9.268 ( -4.228 0.000 7.705) 8.789 9.498 ( 4.058 0.000 -3.674) 5.474 10.376 ( -5.032 0.000 9.890) 11.097 10.779 ( 5.515 0.000 -9.062) 10.608 11.222 ( 3.247 0.000 2.836) 4.312 11.399 ( -2.064 0.000 -4.094) 4.585 11.655 ( -5.638 0.000 4.628) 7.294 11.899 ( 8.967 0.000 -6.740) 11.218 12.295 ( -2.664 0.000 4.540) 5.264 12.398 ( 7.869 0.000 -0.092) 7.869 12.506 ( -2.592 0.000 5.134) 5.751 12.647 ( -2.209 0.000 3.081) 3.792 12.657 ( -4.552 0.000 -1.470) 4.784 12.733 ( 9.936 0.000 0.159) 9.938 12.915 ( -14.598 0.000 -0.983) 14.631 12.955 ( 3.135 0.000 -0.543) 3.182 14.742 ( 4.533 0.000 4.803) 6.604 14.952 ( -1.003 0.000 -4.318) 4.433 15.001 ( 5.273 0.000 4.159) 6.716 15.310 ( -3.343 0.000 -8.849) 9.460 15.612 ( 2.600 0.000 12.787) 13.049 16.119 ( 14.439 0.000 -3.761) 14.921 16.274 ( -11.783 0.000 5.179) 12.871 16.499 ( 0.720 0.000 -11.051) 11.074 16.939 ( 0.038 0.000 16.237) 16.237 17.548 ( -7.041 0.000 -11.616) 13.583 18.099 ( -0.629 0.000 1.037) 1.213 18.128 ( -0.478 0.000 -0.159) 0.504 ======================= Grid point 136 (71/111) ======================= q-point: ( 0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -1.443 0.000 3.067) 3.389 1.740 ( -1.674 0.000 -5.853) 6.087 1.896 ( 9.863 0.000 8.355) 12.926 2.065 ( 1.936 0.000 -2.956) 3.534 2.139 ( -0.396 0.000 18.773) 18.777 2.245 ( -9.429 0.000 11.218) 14.654 2.578 ( -2.671 0.000 7.686) 8.137 2.778 ( 8.773 0.000 0.188) 8.775 2.886 ( -5.079 0.000 -5.325) 7.359 2.966 ( 3.499 0.000 -10.246) 10.827 3.029 ( 9.791 0.000 -8.152) 12.741 3.187 ( 6.739 0.000 -8.306) 10.697 3.260 ( 0.399 0.000 12.456) 12.462 3.300 ( 1.334 0.000 10.039) 10.127 3.506 ( -4.583 0.000 3.567) 5.808 3.592 ( 2.780 0.000 6.881) 7.421 3.631 ( -2.949 0.000 -13.885) 14.195 3.818 ( 2.728 0.000 -2.664) 3.813 3.850 ( -0.472 0.000 8.328) 8.341 3.893 ( -7.236 0.000 -11.127) 13.273 3.976 ( 1.431 0.000 7.093) 7.236 4.166 ( -0.049 0.000 -4.857) 4.857 4.216 ( -1.198 0.000 9.456) 9.532 4.321 ( 0.571 0.000 -7.241) 7.264 4.443 ( -1.104 0.000 -0.715) 1.315 4.526 ( 2.272 0.000 -4.419) 4.969 4.845 ( 3.439 0.000 6.155) 7.051 4.865 ( -2.450 0.000 -4.932) 5.507 5.016 ( -0.386 0.000 2.282) 2.314 5.090 ( 4.618 0.000 -7.838) 9.097 5.162 ( 5.964 0.000 6.284) 8.664 5.249 ( -2.049 0.000 -2.938) 3.582 5.571 ( -5.048 0.000 0.406) 5.064 5.637 ( -3.229 0.000 0.457) 3.261 5.958 ( -0.653 0.000 -1.538) 1.671 6.018 ( 3.151 0.000 0.996) 3.304 6.153 ( -3.859 0.000 2.005) 4.349 6.287 ( 0.927 0.000 -3.324) 3.451 6.415 ( 2.425 0.000 3.580) 4.324 6.427 ( -10.520 0.000 -7.516) 12.929 6.488 ( -8.466 0.000 -6.270) 10.535 6.685 ( 8.917 0.000 6.134) 10.823 6.840 ( -7.794 0.000 -3.341) 8.480 7.139 ( 9.109 0.000 1.435) 9.222 7.852 ( -5.296 0.000 5.825) 7.873 8.133 ( 2.959 0.000 -3.055) 4.253 8.141 ( -3.264 0.000 1.935) 3.794 8.284 ( -1.057 0.000 1.975) 2.240 8.348 ( -1.082 0.000 -0.270) 1.115 8.640 ( 3.103 0.000 -9.657) 10.144 9.280 ( -3.588 0.000 6.634) 7.542 9.532 ( 5.055 0.000 -4.292) 6.632 10.379 ( -7.382 0.000 9.724) 12.208 10.757 ( 4.161 0.000 -9.711) 10.565 11.304 ( -2.915 0.000 -5.122) 5.893 11.312 ( 2.592 0.000 3.500) 4.355 11.609 ( -5.273 0.000 4.008) 6.624 11.953 ( 7.050 0.000 -7.338) 10.176 12.256 ( -5.671 0.000 0.806) 5.728 12.423 ( -5.948 0.000 1.466) 6.126 12.487 ( -8.183 0.000 -2.127) 8.455 12.523 ( -0.762 0.000 5.815) 5.865 12.623 ( -3.928 0.000 0.986) 4.050 12.818 ( 1.335 0.000 -1.323) 1.880 12.950 ( 13.298 0.000 0.670) 13.315 13.070 ( 8.267 0.000 2.733) 8.707 14.811 ( 2.046 0.000 0.698) 2.162 14.835 ( -7.028 0.000 -4.846) 8.537 15.219 ( 5.846 0.000 -11.080) 12.528 15.240 ( 12.647 0.000 8.189) 15.067 15.738 ( -3.460 0.000 9.683) 10.283 16.086 ( -1.788 0.000 -18.426) 18.512 16.176 ( -5.965 0.000 5.944) 8.420 16.566 ( 10.538 0.000 2.827) 10.911 17.104 ( -3.553 0.000 19.028) 19.357 17.293 ( -6.476 0.000 -13.755) 15.203 18.111 ( 0.526 0.000 1.126) 1.243 18.126 ( 0.179 0.000 0.110) 0.210 ======================= Grid point 137 (72/111) ======================= q-point: ( 0.22 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -0.210 0.000 -6.113) 6.117 1.671 ( -0.592 0.000 7.846) 7.869 1.980 ( -3.438 0.000 -2.079) 4.018 2.035 ( 2.234 0.000 -7.889) 8.200 2.292 ( -2.257 0.000 9.576) 9.839 2.351 ( 7.378 0.000 10.621) 12.933 2.641 ( 0.958 0.000 3.511) 3.639 2.733 ( -6.426 0.000 -1.974) 6.722 2.897 ( 6.425 0.000 -1.962) 6.718 2.950 ( 2.703 0.000 -1.604) 3.144 2.992 ( -5.341 0.000 -4.452) 6.953 3.244 ( 11.268 0.000 -7.374) 13.466 3.305 ( -5.079 0.000 1.059) 5.188 3.376 ( -1.202 0.000 5.130) 5.269 3.522 ( 9.306 0.000 -7.493) 11.948 3.563 ( 7.243 0.000 0.795) 7.286 3.704 ( -1.453 0.000 -9.250) 9.364 3.706 ( -3.461 0.000 9.531) 10.140 3.823 ( 2.437 0.000 -6.874) 7.293 3.899 ( -4.219 0.000 8.991) 9.931 4.046 ( 0.765 0.000 3.408) 3.493 4.085 ( -2.371 0.000 -7.068) 7.455 4.299 ( 6.280 0.000 -7.499) 9.781 4.362 ( 0.113 0.000 15.684) 15.684 4.435 ( 0.518 0.000 1.635) 1.715 4.526 ( 4.163 0.000 -3.715) 5.580 4.749 ( -2.817 0.000 -6.502) 7.086 4.859 ( -5.346 0.000 0.706) 5.392 5.130 ( 4.047 0.000 9.708) 10.518 5.136 ( 7.488 0.000 -5.351) 9.204 5.194 ( -2.214 0.000 -1.659) 2.766 5.346 ( 8.541 0.000 3.428) 9.204 5.504 ( -3.590 0.000 0.319) 3.604 5.561 ( -6.075 0.000 1.768) 6.327 5.931 ( -1.220 0.000 -1.353) 1.821 6.045 ( -7.871 0.000 -3.255) 8.517 6.075 ( -2.184 0.000 2.108) 3.036 6.159 ( -10.552 0.000 -4.332) 11.407 6.248 ( 0.330 0.000 -5.063) 5.074 6.297 ( -7.614 0.000 0.913) 7.669 6.502 ( 2.897 0.000 3.214) 4.327 6.722 ( -1.807 0.000 -4.244) 4.612 6.857 ( 4.807 0.000 4.281) 6.437 7.268 ( 4.605 0.000 0.664) 4.653 7.827 ( -5.621 0.000 6.162) 8.340 8.123 ( -2.115 0.000 3.037) 3.701 8.136 ( -1.570 0.000 0.364) 1.611 8.270 ( -1.720 0.000 0.650) 1.839 8.342 ( 1.249 0.000 -0.791) 1.479 8.582 ( 2.726 0.000 -9.556) 9.937 9.289 ( -3.808 0.000 6.355) 7.408 9.567 ( 4.922 0.000 -4.874) 6.927 10.344 ( -9.099 0.000 9.619) 13.241 10.717 ( 4.252 0.000 -10.189) 11.041 11.207 ( -2.115 0.000 -4.448) 4.925 11.356 ( -0.922 0.000 2.109) 2.302 11.584 ( -2.061 0.000 2.971) 3.616 11.980 ( 5.828 0.000 -7.295) 9.337 12.144 ( -5.903 0.000 -3.107) 6.670 12.236 ( -14.003 0.000 3.133) 14.349 12.460 ( 2.982 0.000 -2.031) 3.608 12.561 ( -1.958 0.000 0.148) 1.963 12.604 ( 0.816 0.000 6.010) 6.065 12.821 ( 0.349 0.000 -1.657) 1.693 13.172 ( 13.414 0.000 -0.997) 13.451 13.240 ( 5.325 0.000 6.159) 8.142 14.653 ( -6.778 0.000 -5.826) 8.938 14.852 ( 2.497 0.000 0.146) 2.501 15.248 ( 9.566 0.000 -7.974) 12.454 15.529 ( 9.443 0.000 6.201) 11.297 15.705 ( -6.492 0.000 1.402) 6.642 15.817 ( -2.328 0.000 -18.573) 18.719 16.198 ( -3.427 0.000 10.125) 10.689 16.730 ( -3.794 0.000 8.691) 9.483 17.102 ( 9.632 0.000 -19.347) 21.612 17.222 ( -6.994 0.000 19.170) 20.406 18.133 ( 0.241 0.000 0.421) 0.485 18.134 ( 0.618 0.000 1.174) 1.327 ======================= Grid point 138 (73/111) ======================= q-point: ( 0.33 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 1.232 0.000 -6.042) 6.167 1.745 ( -2.453 0.000 7.014) 7.430 1.865 ( -6.144 0.000 -1.799) 6.402 2.010 ( 3.378 0.000 -4.210) 5.397 2.243 ( -4.327 0.000 -4.363) 6.144 2.591 ( -0.782 0.000 -3.032) 3.131 2.592 ( 10.510 0.000 2.860) 10.892 2.763 ( -3.384 0.000 12.412) 12.865 2.772 ( -13.485 0.000 1.970) 13.628 3.001 ( 4.863 0.000 -0.792) 4.927 3.007 ( 6.601 0.000 -5.434) 8.550 3.275 ( -0.480 0.000 3.774) 3.804 3.321 ( -0.175 0.000 -0.951) 0.967 3.398 ( 9.272 0.000 -5.449) 10.755 3.622 ( 5.782 0.000 -5.722) 8.135 3.622 ( -1.981 0.000 -0.507) 2.045 3.679 ( -1.587 0.000 -3.222) 3.592 3.694 ( -4.036 0.000 4.463) 6.018 3.840 ( 15.840 0.000 -7.491) 17.522 3.925 ( -2.441 0.000 8.290) 8.642 3.992 ( 0.867 0.000 -4.464) 4.547 4.059 ( -1.199 0.000 -0.282) 1.231 4.333 ( 8.544 0.000 -9.814) 13.012 4.489 ( 1.044 0.000 6.179) 6.267 4.518 ( -2.776 0.000 14.788) 15.046 4.599 ( 7.165 0.000 -1.934) 7.422 4.654 ( -0.150 0.000 -4.864) 4.866 4.758 ( -8.672 0.000 3.177) 9.235 5.124 ( -4.720 0.000 -0.021) 4.720 5.178 ( 5.021 0.000 -8.378) 9.767 5.189 ( -6.106 0.000 0.673) 6.143 5.382 ( -10.164 0.000 -6.662) 12.153 5.490 ( 6.017 0.000 -1.048) 6.107 5.520 ( -1.862 0.000 4.612) 4.974 5.834 ( -9.803 0.000 -0.105) 9.803 5.882 ( -3.017 0.000 -1.329) 3.297 5.956 ( -5.226 0.000 2.953) 6.003 6.188 ( 4.997 0.000 5.378) 7.341 6.198 ( 0.858 0.000 -5.727) 5.791 6.299 ( 1.762 0.000 7.857) 8.053 6.559 ( 1.470 0.000 0.105) 1.473 6.676 ( 1.296 0.000 -4.003) 4.207 6.929 ( -0.157 0.000 1.654) 1.662 7.293 ( -0.785 0.000 -2.231) 2.365 7.800 ( -5.663 0.000 6.364) 8.519 8.079 ( -7.803 0.000 4.359) 8.938 8.135 ( -0.951 0.000 3.691) 3.812 8.253 ( 2.094 0.000 -4.582) 5.037 8.366 ( 1.783 0.000 0.068) 1.785 8.535 ( 4.203 0.000 -9.335) 10.237 9.289 ( -4.822 0.000 6.882) 8.403 9.586 ( 3.810 0.000 -5.294) 6.522 10.292 ( -9.509 0.000 9.754) 13.622 10.685 ( 5.459 0.000 -10.582) 11.907 11.151 ( -0.193 0.000 -1.864) 1.874 11.368 ( 0.805 0.000 2.528) 2.653 11.589 ( -0.685 0.000 0.960) 1.180 11.990 ( 4.631 0.000 -6.991) 8.386 12.001 ( -5.837 0.000 -4.760) 7.532 12.057 ( -10.973 0.000 1.810) 11.121 12.510 ( 4.359 0.000 -0.709) 4.416 12.551 ( 1.294 0.000 -0.844) 1.545 12.682 ( -0.296 0.000 6.360) 6.367 12.797 ( -0.535 0.000 -1.933) 2.005 13.352 ( -1.348 0.000 7.654) 7.771 13.369 ( 12.211 0.000 -2.025) 12.377 14.514 ( -2.754 0.000 -4.254) 5.068 14.899 ( 2.442 0.000 1.172) 2.709 15.359 ( 10.347 0.000 -2.299) 10.599 15.398 ( -10.558 0.000 -14.994) 18.338 15.586 ( -5.437 0.000 -4.266) 6.911 15.905 ( 15.372 0.000 0.911) 15.399 16.238 ( -5.563 0.000 10.160) 11.583 16.579 ( -14.304 0.000 -1.174) 14.352 17.236 ( 20.544 0.000 -10.157) 22.917 17.284 ( -9.512 0.000 17.675) 20.072 18.141 ( 0.079 0.000 0.563) 0.569 18.153 ( 0.078 0.000 1.111) 1.113 ======================= Grid point 139 (74/111) ======================= q-point: (-0.56 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -0.213 0.000 -2.708) 2.717 1.727 ( -1.631 0.000 -1.160) 2.001 1.775 ( -1.208 0.000 -1.395) 1.846 1.898 ( -13.158 0.000 -3.196) 13.541 2.273 ( 8.939 0.000 2.525) 9.289 2.499 ( -17.397 0.000 3.430) 17.732 2.607 ( 4.201 0.000 0.981) 4.314 2.803 ( -7.228 0.000 10.984) 13.149 2.806 ( 6.776 0.000 -1.576) 6.957 3.006 ( 2.284 0.000 -4.777) 5.295 3.102 ( 8.040 0.000 -0.976) 8.099 3.309 ( 3.400 0.000 -4.559) 5.688 3.316 ( -1.215 0.000 3.601) 3.800 3.492 ( 3.827 0.000 -1.660) 4.172 3.552 ( -0.044 0.000 -8.554) 8.554 3.587 ( -4.745 0.000 -2.182) 5.223 3.618 ( -2.474 0.000 1.671) 2.986 3.646 ( 1.919 0.000 -6.734) 7.002 3.970 ( 1.847 0.000 1.913) 2.659 3.981 ( -5.665 0.000 6.693) 8.768 4.040 ( -1.150 0.000 5.086) 5.214 4.119 ( 13.842 0.000 1.724) 13.949 4.399 ( 14.400 0.000 -10.819) 18.011 4.528 ( -5.348 0.000 3.935) 6.639 4.609 ( 4.512 0.000 -6.166) 7.640 4.620 ( -3.859 0.000 13.710) 14.243 4.649 ( -6.744 0.000 3.224) 7.475 4.739 ( 6.821 0.000 1.709) 7.032 4.940 ( -17.362 0.000 -5.413) 18.187 5.053 ( -2.333 0.000 -0.843) 2.480 5.088 ( -10.157 0.000 -9.360) 13.812 5.121 ( 1.029 0.000 -9.902) 9.956 5.553 ( 4.362 0.000 -0.441) 4.384 5.600 ( 3.452 0.000 6.374) 7.248 5.785 ( -1.845 0.000 5.071) 5.396 5.801 ( -4.509 0.000 -2.304) 5.063 5.911 ( -5.558 0.000 2.332) 6.028 6.156 ( 2.079 0.000 -6.504) 6.829 6.391 ( 10.180 0.000 5.648) 11.642 6.492 ( 8.803 0.000 8.537) 12.263 6.547 ( -1.260 0.000 -2.685) 2.966 6.688 ( 4.055 0.000 0.176) 4.059 6.883 ( -5.544 0.000 -1.594) 5.769 7.198 ( -4.312 0.000 -6.557) 7.848 7.781 ( -5.097 0.000 7.030) 8.683 7.995 ( -7.942 0.000 5.270) 9.532 8.169 ( 0.431 0.000 3.387) 3.415 8.241 ( 3.362 0.000 -5.966) 6.848 8.392 ( 1.683 0.000 -0.988) 1.951 8.525 ( 6.413 0.000 -9.098) 11.131 9.278 ( -5.937 0.000 7.787) 9.792 9.581 ( 2.574 0.000 -5.316) 5.906 10.245 ( -8.924 0.000 10.053) 13.443 10.674 ( 7.143 0.000 -10.713) 12.876 11.169 ( 2.079 0.000 2.258) 3.069 11.451 ( 3.347 0.000 3.832) 5.088 11.570 ( 0.120 0.000 -1.726) 1.731 11.870 ( -4.688 0.000 -2.331) 5.236 11.898 ( -8.762 0.000 -1.354) 8.866 11.987 ( 3.394 0.000 -6.119) 6.998 12.566 ( 2.529 0.000 -0.934) 2.696 12.570 ( 1.657 0.000 -0.982) 1.926 12.719 ( -2.370 0.000 4.645) 5.215 12.783 ( 1.233 0.000 -0.621) 1.381 13.357 ( -7.760 0.000 7.746) 10.965 13.533 ( 10.933 0.000 -3.240) 11.404 14.486 ( 2.254 0.000 0.134) 2.258 14.963 ( 2.127 0.000 3.570) 4.155 15.048 ( -11.274 0.000 -14.555) 18.410 15.432 ( -4.585 0.000 -5.938) 7.502 15.544 ( 9.925 0.000 2.248) 10.177 16.121 ( 6.124 0.000 -3.644) 7.126 16.223 ( -7.789 0.000 7.855) 11.062 16.352 ( -4.006 0.000 -3.372) 5.236 17.283 ( -11.674 0.000 14.595) 18.690 17.476 ( 18.301 0.000 -6.433) 19.399 18.149 ( 0.214 0.000 0.689) 0.721 18.159 ( -0.586 0.000 0.858) 1.039 ======================= Grid point 140 (75/111) ======================= q-point: (-0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -6.392 0.000 2.434) 6.839 1.605 ( -14.865 0.000 -3.019) 15.168 1.725 ( 0.820 0.000 0.717) 1.089 1.827 ( 6.761 0.000 0.978) 6.831 2.250 ( -16.489 0.000 4.176) 17.009 2.442 ( 2.291 0.000 8.276) 8.587 2.731 ( 4.553 0.000 2.004) 4.975 2.772 ( -4.255 0.000 -3.589) 5.566 2.779 ( -2.569 0.000 5.464) 6.038 3.041 ( 4.755 0.000 -5.857) 7.544 3.185 ( -0.699 0.000 1.700) 1.838 3.317 ( 4.037 0.000 -6.345) 7.521 3.352 ( 7.249 0.000 -0.680) 7.281 3.444 ( -6.791 0.000 0.978) 6.861 3.447 ( -9.888 0.000 0.501) 9.901 3.471 ( -7.386 0.000 -3.533) 8.188 3.567 ( -7.543 0.000 -1.184) 7.636 3.596 ( 1.914 0.000 -3.260) 3.781 3.906 ( -8.267 0.000 6.497) 10.514 4.041 ( 3.996 0.000 1.080) 4.139 4.122 ( 5.562 0.000 2.621) 6.149 4.363 ( 11.314 0.000 6.479) 13.037 4.392 ( -11.096 0.000 -4.215) 11.870 4.471 ( -10.380 0.000 -4.763) 11.420 4.529 ( 7.437 0.000 -5.900) 9.493 4.609 ( -13.661 0.000 6.538) 15.145 4.688 ( 11.673 0.000 -3.485) 12.182 4.816 ( 1.534 0.000 10.156) 10.271 4.833 ( 1.260 0.000 0.741) 1.461 4.941 ( 0.262 0.000 -2.738) 2.750 5.061 ( 5.604 0.000 -7.058) 9.012 5.069 ( 9.233 0.000 -4.655) 10.340 5.632 ( 3.232 0.000 2.609) 4.154 5.678 ( -5.628 0.000 -1.651) 5.865 5.747 ( 4.697 0.000 4.368) 6.415 5.815 ( -1.498 0.000 -0.814) 1.705 5.844 ( -3.357 0.000 6.249) 7.094 6.125 ( 2.946 0.000 -7.247) 7.823 6.471 ( -3.740 0.000 -2.916) 4.742 6.539 ( 5.019 0.000 -2.168) 5.467 6.713 ( -10.285 0.000 -4.956) 11.417 6.718 ( 8.612 0.000 5.928) 10.455 6.874 ( 11.180 0.000 8.444) 14.011 7.037 ( -3.836 0.000 -9.712) 10.442 7.786 ( -4.087 0.000 8.097) 9.070 7.945 ( -4.426 0.000 4.942) 6.634 8.220 ( 1.669 0.000 2.738) 3.206 8.240 ( 4.303 0.000 -5.966) 7.356 8.398 ( 1.017 0.000 -2.052) 2.290 8.548 ( 8.299 0.000 -9.409) 12.546 9.263 ( -6.562 0.000 8.768) 10.951 9.560 ( 1.690 0.000 -4.934) 5.216 10.218 ( -7.427 0.000 10.473) 12.839 10.690 ( 8.492 0.000 -10.589) 13.574 11.264 ( 3.560 0.000 6.182) 7.134 11.409 ( -4.092 0.000 -6.243) 7.465 11.691 ( 8.600 0.000 6.158) 10.578 11.729 ( -7.649 0.000 -4.582) 8.917 11.802 ( -3.551 0.000 2.055) 4.102 11.977 ( 2.969 0.000 -5.362) 6.129 12.563 ( -2.215 0.000 -0.262) 2.231 12.565 ( -0.660 0.000 -1.316) 1.472 12.717 ( -1.601 0.000 1.997) 2.560 12.826 ( 3.283 0.000 0.353) 3.302 13.276 ( -11.408 0.000 7.581) 13.697 13.655 ( 9.033 0.000 -5.253) 10.450 14.589 ( 5.812 0.000 5.909) 8.288 14.723 ( -10.050 0.000 -11.204) 15.051 15.067 ( 2.969 0.000 7.799) 8.345 15.287 ( -2.754 0.000 -8.493) 8.928 15.746 ( 6.438 0.000 8.056) 10.313 15.927 ( -11.724 0.000 -10.733) 15.895 16.158 ( -7.880 0.000 5.187) 9.434 16.466 ( 12.870 0.000 -2.710) 13.153 17.208 ( -13.587 0.000 10.310) 17.056 17.686 ( 15.077 0.000 -6.556) 16.441 18.154 ( -0.768 0.000 0.533) 0.935 18.162 ( 0.198 0.000 0.767) 0.792 ======================= Grid point 141 (76/111) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -13.784 0.000 5.152) 14.715 1.449 ( -9.586 0.000 11.915) 15.292 1.793 ( 4.938 0.000 1.855) 5.275 1.940 ( 0.757 0.000 2.462) 2.576 2.108 ( -1.748 0.000 2.801) 3.302 2.468 ( -11.539 0.000 7.942) 14.007 2.648 ( -8.842 0.000 0.167) 8.844 2.719 ( -1.039 0.000 4.440) 4.560 2.937 ( 10.427 0.000 0.459) 10.437 2.961 ( -3.856 0.000 -7.012) 8.002 3.107 ( -28.105 0.000 6.086) 28.756 3.160 ( -4.361 0.000 3.163) 5.388 3.231 ( -14.970 0.000 -0.078) 14.970 3.333 ( -0.241 0.000 0.408) 0.474 3.401 ( -0.986 0.000 0.470) 1.093 3.507 ( 3.108 0.000 -7.238) 7.877 3.511 ( 9.202 0.000 -0.569) 9.219 3.637 ( 5.640 0.000 1.528) 5.843 3.872 ( -3.640 0.000 4.332) 5.658 4.086 ( 1.616 0.000 -2.169) 2.705 4.094 ( -9.194 0.000 -6.778) 11.423 4.273 ( 6.615 0.000 -3.970) 7.715 4.326 ( -5.336 0.000 4.177) 6.776 4.483 ( 3.722 0.000 -9.931) 10.605 4.499 ( -8.389 0.000 5.193) 9.866 4.652 ( 5.370 0.000 3.085) 6.193 4.736 ( 3.419 0.000 -3.147) 4.647 4.865 ( -2.717 0.000 2.821) 3.917 4.902 ( 4.468 0.000 4.577) 6.397 5.034 ( 4.259 0.000 7.007) 8.200 5.160 ( 11.410 0.000 -3.273) 11.870 5.271 ( 18.148 0.000 -4.220) 18.632 5.560 ( -4.326 0.000 -2.987) 5.257 5.692 ( 0.628 0.000 0.307) 0.699 5.765 ( -0.066 0.000 0.263) 0.271 5.855 ( 2.462 0.000 2.528) 3.529 5.927 ( 1.440 0.000 8.576) 8.696 6.109 ( 3.767 0.000 -5.027) 6.282 6.375 ( -4.757 0.000 -1.390) 4.956 6.462 ( -11.409 0.000 -6.344) 13.054 6.571 ( 3.005 0.000 -2.715) 4.050 6.882 ( 4.404 0.000 3.742) 5.779 6.885 ( -0.859 0.000 -10.430) 10.466 7.143 ( 10.172 0.000 5.626) 11.624 7.819 ( -2.837 0.000 8.596) 9.052 7.958 ( 0.174 0.000 3.741) 3.745 8.255 ( 4.821 0.000 -5.370) 7.217 8.277 ( 1.672 0.000 2.150) 2.724 8.381 ( 0.134 0.000 -2.622) 2.626 8.593 ( 9.638 0.000 -10.150) 13.997 9.252 ( -6.604 0.000 9.561) 11.621 9.531 ( 0.855 0.000 -4.369) 4.452 10.228 ( -5.199 0.000 10.875) 12.054 10.721 ( 8.629 0.000 -10.402) 13.515 11.268 ( -3.394 0.000 -6.639) 7.456 11.405 ( 4.133 0.000 7.354) 8.436 11.565 ( -4.823 0.000 -4.782) 6.792 11.762 ( -3.702 0.000 3.230) 4.913 11.927 ( 8.624 0.000 7.851) 11.662 11.979 ( 3.575 0.000 -3.787) 5.208 12.494 ( -5.557 0.000 0.464) 5.577 12.536 ( -1.053 0.000 -0.553) 1.189 12.719 ( -0.119 0.000 0.772) 0.781 12.868 ( 1.741 0.000 -1.237) 2.135 13.158 ( -11.982 0.000 7.173) 13.965 13.699 ( 4.248 0.000 -8.591) 9.584 14.499 ( -5.736 0.000 -4.982) 7.598 14.787 ( 6.289 0.000 11.053) 12.717 15.171 ( 0.386 0.000 -8.850) 8.858 15.238 ( 5.198 0.000 11.214) 12.360 15.591 ( -13.461 0.000 -11.466) 17.683 15.857 ( -4.807 0.000 5.316) 7.168 16.142 ( -0.223 0.000 8.970) 8.973 16.621 ( 11.202 0.000 -6.704) 13.055 17.060 ( -14.360 0.000 5.855) 15.507 17.820 ( 10.592 0.000 -8.721) 13.721 18.151 ( -0.020 0.000 0.057) 0.060 18.168 ( -0.327 0.000 0.546) 0.637 ======================= Grid point 142 (77/111) ======================= q-point: (-0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -6.516 0.000 13.428) 14.925 1.444 ( -12.670 0.000 20.127) 23.783 1.903 ( 4.712 0.000 2.620) 5.391 1.954 ( 3.042 0.000 1.032) 3.212 2.183 ( 3.491 0.000 0.331) 3.507 2.284 ( -15.892 0.000 4.245) 16.449 2.457 ( -22.096 0.000 14.323) 26.332 2.799 ( 0.906 0.000 7.849) 7.901 2.808 ( -10.923 0.000 5.020) 12.022 2.888 ( -0.774 0.000 0.280) 0.823 2.962 ( -17.679 0.000 4.162) 18.162 3.076 ( 8.701 0.000 -7.891) 11.746 3.146 ( -3.356 0.000 6.681) 7.477 3.332 ( -2.483 0.000 -0.424) 2.519 3.392 ( 1.135 0.000 1.990) 2.291 3.462 ( 1.164 0.000 -7.701) 7.788 3.584 ( 3.459 0.000 -2.757) 4.423 3.823 ( 9.153 0.000 4.763) 10.318 3.850 ( -4.226 0.000 2.123) 4.730 3.971 ( -1.733 0.000 -0.485) 1.799 4.070 ( 2.235 0.000 -3.188) 3.893 4.250 ( 1.524 0.000 -3.017) 3.380 4.385 ( -1.884 0.000 6.629) 6.891 4.410 ( 2.971 0.000 -13.609) 13.930 4.464 ( 2.317 0.000 0.104) 2.319 4.599 ( -1.838 0.000 -5.041) 5.366 4.818 ( 0.912 0.000 -1.637) 1.874 4.835 ( -5.398 0.000 4.716) 7.168 4.994 ( 2.842 0.000 -1.635) 3.278 5.149 ( 1.553 0.000 4.474) 4.736 5.342 ( 9.364 0.000 0.973) 9.414 5.451 ( 7.223 0.000 -4.474) 8.497 5.498 ( 1.008 0.000 -3.254) 3.406 5.682 ( 1.758 0.000 -3.171) 3.626 5.810 ( 0.863 0.000 4.292) 4.378 5.927 ( 5.324 0.000 3.037) 6.130 6.053 ( 3.220 0.000 6.410) 7.174 6.104 ( -0.340 0.000 -3.905) 3.920 6.268 ( -3.382 0.000 -3.826) 5.106 6.309 ( -1.768 0.000 1.178) 2.124 6.592 ( 2.622 0.000 -2.029) 3.316 6.799 ( 3.028 0.000 -8.228) 8.768 6.937 ( -0.579 0.000 0.443) 0.729 7.287 ( 2.277 0.000 0.717) 2.388 7.867 ( -2.233 0.000 7.380) 7.711 8.020 ( 3.345 0.000 1.696) 3.751 8.273 ( 3.669 0.000 -5.346) 6.483 8.305 ( -0.729 0.000 0.621) 0.958 8.358 ( 0.258 0.000 -1.413) 1.437 8.643 ( 9.588 0.000 -10.425) 14.164 9.250 ( -6.154 0.000 9.729) 11.512 9.498 ( 0.571 0.000 -3.630) 3.675 10.276 ( -3.355 0.000 10.757) 11.268 10.748 ( 7.667 0.000 -9.755) 12.408 11.177 ( -0.623 0.000 -3.758) 3.809 11.463 ( 0.709 0.000 -2.944) 3.028 11.592 ( 7.281 0.000 5.384) 9.055 11.732 ( -4.680 0.000 4.135) 6.245 12.030 ( 5.836 0.000 -0.257) 5.841 12.139 ( 6.390 0.000 7.555) 9.895 12.418 ( -3.551 0.000 0.869) 3.656 12.532 ( 0.905 0.000 0.697) 1.143 12.719 ( -1.832 0.000 1.670) 2.479 12.844 ( -1.276 0.000 -3.851) 4.057 13.044 ( -9.586 0.000 5.298) 10.953 13.578 ( -6.561 0.000 -11.276) 13.046 14.445 ( 1.007 0.000 2.367) 2.572 14.978 ( 1.205 0.000 7.116) 7.217 15.152 ( 6.971 0.000 -0.992) 7.041 15.226 ( -13.105 0.000 -6.379) 14.575 15.522 ( 10.727 0.000 9.708) 14.468 15.736 ( -9.625 0.000 -1.712) 9.776 16.301 ( 0.018 0.000 15.931) 15.931 16.681 ( 7.194 0.000 -10.760) 12.944 16.879 ( -11.756 0.000 2.572) 12.034 17.844 ( 5.074 0.000 -10.959) 12.077 18.145 ( -0.715 0.000 -0.666) 0.977 18.161 ( -0.951 0.000 0.142) 0.962 ======================= Grid point 143 (78/111) ======================= q-point: (-0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 1.458 0.000 15.333) 15.402 1.468 ( -8.955 0.000 20.316) 22.202 1.980 ( -1.336 0.000 4.811) 4.993 1.987 ( 0.171 0.000 -8.612) 8.614 2.092 ( -10.590 0.000 4.005) 11.322 2.280 ( 5.441 0.000 12.950) 14.046 2.328 ( -15.745 0.000 20.626) 25.949 2.726 ( -14.824 0.000 5.366) 15.766 2.786 ( 0.795 0.000 4.365) 4.437 2.915 ( 3.016 0.000 4.875) 5.732 2.970 ( 6.523 0.000 2.624) 7.030 3.071 ( 2.312 0.000 -6.115) 6.538 3.169 ( -3.250 0.000 3.265) 4.607 3.249 ( -2.616 0.000 -1.791) 3.170 3.395 ( 3.267 0.000 -9.281) 9.839 3.527 ( 3.674 0.000 11.461) 12.036 3.605 ( 3.560 0.000 -2.428) 4.309 3.782 ( -7.652 0.000 3.750) 8.522 3.919 ( -3.254 0.000 -2.242) 3.951 3.939 ( 3.072 0.000 -2.000) 3.666 4.168 ( 8.313 0.000 1.973) 8.544 4.257 ( -1.029 0.000 0.636) 1.209 4.302 ( 1.657 0.000 -12.047) 12.160 4.422 ( 2.923 0.000 -0.985) 3.084 4.489 ( -4.478 0.000 -8.510) 9.616 4.582 ( 9.120 0.000 4.047) 9.978 4.732 ( -3.615 0.000 -8.121) 8.889 4.802 ( -4.884 0.000 6.082) 7.800 4.956 ( -2.532 0.000 -3.147) 4.040 5.176 ( -2.430 0.000 2.276) 3.329 5.338 ( -3.256 0.000 -7.327) 8.018 5.445 ( -0.141 0.000 -6.577) 6.579 5.554 ( 5.284 0.000 0.431) 5.301 5.681 ( 0.399 0.000 -1.456) 1.510 5.874 ( 2.388 0.000 2.758) 3.648 6.030 ( 0.725 0.000 1.830) 1.968 6.146 ( 1.929 0.000 2.390) 3.071 6.162 ( 8.090 0.000 3.491) 8.811 6.221 ( 2.114 0.000 0.191) 2.123 6.348 ( 3.347 0.000 0.269) 3.358 6.610 ( 2.630 0.000 -3.314) 4.231 6.820 ( 7.528 0.000 -3.837) 8.449 6.873 ( -5.400 0.000 -2.845) 6.104 7.232 ( -7.028 0.000 -2.453) 7.444 7.890 ( -3.522 0.000 5.659) 6.666 8.088 ( 3.957 0.000 -1.266) 4.154 8.260 ( -4.201 0.000 -0.249) 4.209 8.262 ( 1.897 0.000 -3.926) 4.360 8.363 ( 0.575 0.000 0.237) 0.622 8.678 ( 7.730 0.000 -10.103) 12.721 9.256 ( -5.280 0.000 8.986) 10.422 9.483 ( 2.184 0.000 -3.251) 3.916 10.336 ( -3.349 0.000 10.206) 10.741 10.769 ( 6.935 0.000 -8.770) 11.181 11.165 ( 1.670 0.000 -0.285) 1.694 11.450 ( 0.209 0.000 -2.507) 2.515 11.696 ( -5.285 0.000 4.588) 6.998 11.781 ( 11.926 0.000 -2.821) 12.255 12.189 ( 11.321 0.000 3.486) 11.846 12.267 ( -0.756 0.000 6.618) 6.661 12.436 ( 3.587 0.000 2.837) 4.573 12.591 ( 4.342 0.000 2.129) 4.836 12.684 ( -5.308 0.000 3.092) 6.142 12.758 ( -2.745 0.000 -4.926) 5.639 12.965 ( -4.112 0.000 1.566) 4.400 13.259 ( -17.707 0.000 -7.646) 19.288 14.565 ( 6.412 0.000 6.951) 9.457 14.989 ( 1.021 0.000 -3.659) 3.799 15.010 ( -6.521 0.000 -1.646) 6.726 15.345 ( 4.619 0.000 10.838) 11.781 15.549 ( -6.731 0.000 -4.682) 8.199 15.836 ( 15.957 0.000 5.326) 16.823 16.388 ( -10.435 0.000 12.575) 16.341 16.627 ( 2.415 0.000 -13.609) 13.822 16.802 ( -1.702 0.000 7.464) 7.656 17.751 ( -1.430 0.000 -12.037) 12.121 18.115 ( -2.123 0.000 0.347) 2.151 18.143 ( -1.055 0.000 -0.149) 1.066 ======================= Grid point 144 (79/111) ======================= q-point: ( 0.00 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 2.440 -1.195 13.268) 13.543 1.697 ( -7.313 -8.099 19.892) 22.689 1.779 ( 4.290 0.781 -0.820) 4.437 1.842 ( -4.717 -0.787 3.213) 5.762 2.109 ( 2.716 2.326 -2.232) 4.216 2.371 ( 2.391 -14.065 3.613) 14.717 2.494 ( -6.943 9.802 10.030) 15.648 2.637 ( -0.289 1.874 3.026) 3.571 2.859 ( 6.225 -5.199 -0.142) 8.112 2.971 ( 4.957 -5.229 -1.577) 7.376 3.023 ( -3.195 4.494 1.011) 5.606 3.124 ( 2.916 6.909 -9.423) 12.043 3.245 ( 2.477 9.909 10.500) 14.648 3.313 ( -1.703 1.158 5.648) 6.012 3.399 ( 5.526 -2.268 0.493) 5.994 3.624 ( -4.184 0.866 3.392) 5.456 3.642 ( -0.226 -0.820 -1.493) 1.718 3.760 ( -1.300 0.198 11.826) 11.899 3.861 ( -1.972 -5.589 -8.312) 10.209 3.876 ( 1.239 0.457 1.125) 1.734 4.090 ( 1.718 -9.114 -5.275) 10.669 4.154 ( -4.909 1.398 -2.538) 5.700 4.287 ( 2.396 -2.106 -1.259) 3.430 4.439 ( -1.149 8.914 3.476) 9.637 4.473 ( -2.614 -3.560 -6.012) 7.460 4.542 ( -1.325 6.365 -2.975) 7.149 4.755 ( 4.233 -6.119 0.456) 7.455 4.870 ( 0.777 6.568 -1.693) 6.827 4.980 ( 1.255 3.710 0.149) 3.920 5.139 ( -2.566 1.327 2.933) 4.117 5.248 ( -3.218 4.399 -6.789) 8.706 5.346 ( -2.250 0.568 -6.655) 7.048 5.617 ( 1.518 -1.095 1.362) 2.315 5.657 ( -2.224 0.196 -0.670) 2.331 5.781 ( 0.242 -10.721 0.661) 10.744 5.891 ( -1.383 -11.626 -3.272) 12.157 6.191 ( 1.158 3.351 4.001) 5.346 6.287 ( 2.499 0.830 2.304) 3.499 6.427 ( 1.939 2.563 -1.913) 3.740 6.474 ( 9.278 2.252 5.875) 11.210 6.638 ( 0.098 5.080 -6.213) 8.026 6.724 ( -6.917 1.602 -4.910) 8.633 6.980 ( 7.764 1.974 -0.416) 8.021 7.049 ( -9.501 0.496 -2.974) 9.968 7.773 ( -3.435 -6.480 4.691) 8.706 8.028 ( 3.756 -9.026 -7.527) 12.339 8.197 ( -2.938 0.897 0.530) 3.117 8.273 ( 2.372 -0.377 -2.408) 3.401 8.460 ( -3.713 9.422 5.871) 11.706 8.795 ( 4.658 9.106 -8.898) 13.557 9.172 ( -4.013 -8.336 7.274) 11.769 9.418 ( 4.061 -7.367 -4.509) 9.544 10.450 ( -4.164 6.554 8.697) 11.659 10.774 ( 4.096 -0.965 -6.661) 7.879 11.237 ( 2.609 1.549 3.525) 4.651 11.403 ( -1.364 -0.794 -2.220) 2.724 11.662 ( -3.218 1.567 2.583) 4.414 11.865 ( 6.477 -2.937 -5.988) 9.297 12.305 ( -0.269 0.488 3.571) 3.615 12.381 ( 1.944 -1.384 1.079) 2.619 12.459 ( -1.838 -2.811 2.472) 4.170 12.516 ( 2.043 -6.143 0.624) 6.504 12.769 ( 4.136 4.597 2.585) 6.703 12.803 ( 1.755 4.828 -0.275) 5.144 12.921 ( -13.325 0.456 -1.420) 13.408 12.943 ( 0.607 -1.020 -0.532) 1.301 14.790 ( 3.675 4.378 4.084) 7.025 14.978 ( 2.143 1.462 -3.870) 4.659 15.060 ( 7.053 5.392 3.306) 9.474 15.359 ( -7.265 5.678 -6.679) 11.385 15.548 ( 4.453 -6.052 12.107) 14.249 16.046 ( 5.090 -7.379 -3.418) 9.594 16.254 ( -5.683 -1.369 3.472) 6.799 16.403 ( 3.729 -6.936 -5.648) 9.691 17.056 ( -1.875 9.297 9.881) 13.696 17.514 ( -7.041 -3.416 -9.086) 11.991 18.100 ( -0.491 0.144 0.867) 1.007 18.124 ( -0.425 -0.364 -0.091) 0.567 ======================= Grid point 145 (80/111) ======================= q-point: ( 0.11 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -0.687 -0.096 2.465) 2.561 1.740 ( 0.654 -0.163 -2.969) 3.044 1.851 ( -2.198 -10.768 14.366) 18.087 2.014 ( 8.353 4.690 12.452) 15.711 2.124 ( 3.872 2.976 -4.997) 6.987 2.382 ( 1.904 -3.882 -4.190) 6.020 2.543 ( -1.950 2.576 10.584) 11.066 2.706 ( 5.378 -2.741 1.543) 6.230 2.886 ( -7.075 0.951 -3.575) 7.983 2.934 ( 3.623 -4.272 -5.705) 7.995 3.036 ( 10.469 -4.682 -8.617) 14.345 3.129 ( 4.262 6.709 -2.937) 8.474 3.315 ( -5.682 -1.260 6.246) 8.537 3.401 ( 0.178 5.244 5.524) 7.618 3.505 ( 2.846 -4.648 3.576) 6.519 3.546 ( -4.866 1.232 -2.188) 5.476 3.651 ( -0.754 5.340 -0.317) 5.403 3.731 ( 1.244 -6.006 3.053) 6.852 3.870 ( -3.971 -2.000 -7.375) 8.611 3.873 ( -2.231 0.060 7.800) 8.113 4.005 ( 2.647 -0.995 2.985) 4.111 4.154 ( -1.119 2.234 0.575) 2.564 4.299 ( 0.370 2.433 0.080) 2.463 4.374 ( 3.571 4.495 -6.728) 8.844 4.462 ( -2.497 4.822 0.494) 5.453 4.538 ( 1.270 1.378 2.232) 2.914 4.818 ( 0.755 -3.182 -4.524) 5.582 4.863 ( 4.805 -2.587 -2.501) 6.003 5.004 ( 0.769 4.244 4.155) 5.989 5.088 ( -5.606 1.333 -0.434) 5.778 5.230 ( 1.289 2.142 0.520) 2.553 5.286 ( 4.841 3.857 -2.255) 6.588 5.575 ( -4.669 0.146 0.415) 4.689 5.626 ( -4.102 -1.285 0.124) 4.300 5.779 ( -0.710 -12.375 1.975) 12.552 5.895 ( 3.645 -10.765 -1.238) 11.433 6.202 ( -3.088 2.617 1.714) 4.396 6.307 ( -0.862 -0.169 -3.611) 3.716 6.450 ( -0.746 3.241 1.644) 3.710 6.475 ( -8.756 3.629 -4.887) 10.664 6.529 ( -7.043 3.857 -6.205) 10.148 6.674 ( 4.778 -0.439 4.191) 6.371 6.913 ( -2.023 5.698 -1.509) 6.232 7.131 ( 8.363 -0.740 1.017) 8.457 7.764 ( -3.805 -5.780 4.878) 8.466 8.021 ( 4.429 -9.764 -6.297) 12.434 8.158 ( -2.657 1.437 1.004) 3.183 8.288 ( 1.716 -1.027 -1.368) 2.423 8.442 ( -6.416 9.963 6.540) 13.535 8.765 ( 3.525 9.763 -8.984) 13.728 9.181 ( -4.021 -8.739 6.700) 11.723 9.444 ( 5.232 -8.194 -5.246) 11.047 10.454 ( -6.376 6.618 8.308) 12.389 10.753 ( 2.643 -0.717 -7.168) 7.674 11.305 ( -0.443 0.801 0.951) 1.320 11.343 ( -0.780 1.361 -1.534) 2.194 11.628 ( -3.516 2.233 2.281) 4.749 11.895 ( 4.797 -4.676 -5.924) 8.943 12.312 ( -3.110 4.536 0.217) 5.504 12.387 ( -2.935 -5.167 2.485) 6.441 12.392 ( -2.190 -2.530 0.389) 3.369 12.591 ( -0.174 -0.108 0.098) 0.227 12.625 ( -9.566 2.428 1.299) 9.955 12.809 ( -0.491 -1.272 -2.315) 2.686 12.961 ( 9.910 1.529 2.529) 10.341 13.066 ( 8.860 -0.448 2.775) 9.295 14.838 ( 0.868 3.014 -0.724) 3.219 14.922 ( -3.303 6.797 -4.735) 8.918 15.208 ( 2.085 -0.268 -9.994) 10.213 15.309 ( 12.156 6.583 8.617) 16.290 15.678 ( -4.763 -5.807 6.903) 10.201 15.960 ( -2.138 -10.194 -6.238) 12.141 16.221 ( -0.666 3.194 -3.176) 4.553 16.537 ( 13.376 -3.207 2.214) 13.933 17.138 ( -5.576 2.905 15.695) 16.908 17.276 ( -8.893 -1.396 -9.983) 13.443 18.111 ( 0.539 0.050 0.958) 1.100 18.123 ( 0.251 -0.205 0.146) 0.355 ======================= Grid point 146 (81/111) ======================= q-point: ( 0.22 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 2.057 -0.508 3.051) 3.714 1.698 ( -0.740 2.498 -3.598) 4.442 1.911 ( -3.649 -4.599 3.681) 6.929 2.098 ( 2.721 3.725 -5.702) 7.334 2.303 ( 9.131 1.678 7.190) 11.743 2.391 ( 4.485 -1.374 -3.030) 5.584 2.625 ( 1.053 0.384 4.248) 4.393 2.678 ( -7.098 -0.619 -7.516) 10.357 2.850 ( 4.549 -4.040 3.683) 7.111 2.906 ( 1.879 -2.580 -5.227) 6.124 3.107 ( -5.122 5.544 1.510) 7.697 3.140 ( 8.731 -5.145 -5.944) 11.749 3.290 ( -1.266 -2.753 0.259) 3.041 3.404 ( 0.103 0.568 0.904) 1.072 3.476 ( 3.274 -2.191 -2.442) 4.635 3.585 ( 3.914 -1.003 3.149) 5.122 3.648 ( -3.046 -0.837 1.608) 3.545 3.754 ( -0.596 -1.066 -2.910) 3.156 3.839 ( 2.175 3.814 -0.002) 4.391 3.910 ( -2.853 2.171 8.297) 9.039 4.062 ( 0.437 -0.693 -1.552) 1.755 4.095 ( -1.194 2.072 -2.625) 3.551 4.346 ( 1.585 -1.044 4.138) 4.552 4.397 ( 5.449 7.219 -5.484) 10.577 4.449 ( 0.296 4.972 3.269) 5.958 4.587 ( 2.370 1.237 0.894) 2.819 4.739 ( -2.227 0.624 -3.537) 4.226 4.883 ( -4.533 1.761 1.159) 4.999 5.028 ( 6.186 -7.277 -5.886) 11.219 5.102 ( -1.323 -2.360 3.924) 4.766 5.245 ( 2.020 4.769 3.893) 6.480 5.421 ( 7.401 4.346 2.062) 8.826 5.502 ( -4.452 -0.942 -0.452) 4.573 5.553 ( -4.425 0.137 1.925) 4.828 5.789 ( -1.227 -9.900 1.499) 10.088 5.958 ( 3.153 -9.065 2.266) 9.862 6.095 ( -9.445 1.640 -3.652) 10.258 6.143 ( -11.570 -0.384 -6.083) 13.077 6.290 ( -3.094 1.656 -3.529) 4.976 6.332 ( -7.156 2.161 -0.183) 7.478 6.541 ( 2.238 4.198 3.543) 5.932 6.730 ( 1.594 1.457 -1.281) 2.511 6.945 ( 2.972 6.790 1.806) 7.628 7.249 ( 4.356 -1.837 0.354) 4.741 7.750 ( -4.335 -5.042 4.918) 8.271 8.029 ( 4.378 -10.412 -6.762) 13.165 8.138 ( -1.734 1.727 2.699) 3.643 8.298 ( -0.157 -0.481 0.467) 0.688 8.395 ( -7.323 9.191 6.502) 13.430 8.725 ( 3.678 10.787 -9.271) 14.691 9.180 ( -4.868 -9.544 6.793) 12.686 9.473 ( 5.524 -8.839 -6.155) 12.105 10.422 ( -7.822 6.744 7.982) 13.053 10.715 ( 2.553 -0.613 -7.501) 7.947 11.236 ( -2.035 2.435 -3.981) 5.091 11.347 ( -1.529 -0.978 1.433) 2.312 11.613 ( -0.859 2.992 1.825) 3.608 11.897 ( 2.360 -5.447 -4.787) 7.626 12.217 ( -7.524 3.366 -0.195) 8.245 12.296 ( -6.056 6.495 -1.877) 9.076 12.413 ( 2.545 -3.641 -0.116) 4.443 12.550 ( -2.242 -0.849 0.938) 2.574 12.590 ( -0.010 -1.514 3.077) 3.429 12.799 ( 1.238 -2.978 -2.586) 4.134 13.155 ( 10.316 -0.579 1.626) 10.459 13.238 ( 5.927 -0.636 5.048) 7.812 14.729 ( -6.249 6.955 -6.464) 11.367 14.895 ( 2.392 4.189 -0.599) 4.861 15.204 ( 7.459 -4.042 -7.425) 11.274 15.519 ( -8.385 -9.800 -7.815) 15.080 15.592 ( 8.427 3.260 7.373) 11.662 15.923 ( 1.353 1.852 -2.663) 3.515 16.190 ( -1.142 3.482 0.872) 3.767 16.799 ( 5.393 3.964 10.350) 12.325 17.022 ( 0.026 -5.997 -17.139) 18.158 17.210 ( -7.556 -1.576 17.414) 19.048 18.131 ( 0.385 -0.118 0.597) 0.720 18.134 ( 0.551 -0.063 0.866) 1.029 ======================= Grid point 147 (82/111) ======================= q-point: ( 0.33 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.451 2.669 -5.745) 6.351 1.734 ( 1.496 -0.628 4.578) 4.857 1.847 ( -4.746 0.147 -0.551) 4.780 2.083 ( 2.337 4.949 -4.438) 7.047 2.309 ( -5.465 5.069 -7.138) 10.321 2.516 ( 8.644 -6.826 -4.901) 12.056 2.539 ( -3.124 -6.087 3.285) 7.589 2.663 ( -0.518 2.051 2.098) 2.979 2.893 ( 3.055 -5.054 -5.055) 7.774 2.924 ( 0.643 2.738 4.502) 5.308 3.092 ( -0.170 3.825 4.606) 5.989 3.196 ( 2.663 -4.817 -0.616) 5.539 3.310 ( 1.586 -2.522 0.229) 2.988 3.414 ( 3.826 2.159 -4.265) 6.123 3.527 ( 3.703 -6.226 -3.403) 8.004 3.626 ( -2.130 0.525 1.284) 2.542 3.654 ( 1.837 -2.276 -3.082) 4.249 3.771 ( -4.383 5.828 1.607) 7.467 3.792 ( 2.774 -3.271 5.610) 7.061 3.956 ( -2.513 -0.341 -2.867) 3.828 4.035 ( 7.271 5.950 2.376) 9.691 4.129 ( 3.212 5.000 -0.018) 5.943 4.376 ( 4.967 1.473 -6.866) 8.602 4.451 ( 3.633 -0.812 -0.500) 3.756 4.530 ( -2.010 2.777 12.575) 13.034 4.606 ( 2.051 -1.290 -5.334) 5.858 4.719 ( 0.637 5.597 3.457) 6.610 4.798 ( -7.119 3.573 2.889) 8.473 5.041 ( -1.911 -5.920 -4.081) 7.440 5.078 ( 1.693 -7.181 -2.533) 7.801 5.280 ( -5.413 5.404 -0.576) 7.671 5.389 ( -8.533 0.808 -6.765) 10.919 5.477 ( -2.361 -3.163 3.807) 5.484 5.558 ( 4.097 4.879 -1.040) 6.455 5.736 ( -5.952 -6.653 0.386) 8.935 5.899 ( -7.550 -1.212 -1.799) 7.855 5.975 ( -2.275 1.271 2.782) 3.812 6.058 ( 3.892 -6.175 1.724) 7.500 6.246 ( 1.413 0.157 -0.478) 1.500 6.297 ( -0.543 -1.001 5.444) 5.562 6.598 ( 1.645 4.527 0.957) 4.911 6.737 ( 1.885 4.450 -2.687) 5.530 6.988 ( -0.287 5.203 1.106) 5.327 7.272 ( -0.411 -1.926 -2.308) 3.034 7.723 ( -5.147 -4.908 4.751) 8.553 8.009 ( 2.590 -9.258 -7.127) 11.967 8.164 ( 0.373 1.288 3.440) 3.692 8.280 ( -5.118 5.025 4.149) 8.286 8.362 ( -2.678 2.932 3.617) 5.371 8.693 ( 4.957 11.484 -9.770) 15.872 9.166 ( -6.133 -10.682 7.473) 14.407 9.490 ( 5.021 -9.123 -7.017) 12.557 10.375 ( -8.045 7.138 8.114) 13.472 10.682 ( 3.430 -0.721 -7.667) 8.430 11.185 ( 0.089 2.936 -1.914) 3.506 11.348 ( 0.757 -1.807 1.841) 2.688 11.619 ( -0.353 2.912 0.131) 2.937 11.867 ( -0.825 -5.040 -3.274) 6.067 12.083 ( -8.445 3.311 0.901) 9.116 12.178 ( -2.401 8.939 -6.353) 11.226 12.468 ( 3.163 -3.413 0.762) 4.716 12.543 ( 1.718 -0.738 -1.045) 2.142 12.649 ( 0.933 -2.801 4.375) 5.278 12.782 ( -0.093 -2.244 -2.189) 3.136 13.323 ( 4.924 -1.781 4.008) 6.594 13.359 ( 4.491 -1.157 2.995) 5.521 14.581 ( -2.959 6.222 -5.602) 8.880 14.940 ( 2.805 3.820 0.905) 4.825 15.204 ( -4.045 -11.023 -10.950) 16.056 15.338 ( 3.831 -5.038 -3.343) 7.158 15.698 ( -1.767 6.706 -1.625) 7.123 15.978 ( 8.461 3.922 -0.307) 9.331 16.189 ( -2.320 -0.033 3.461) 4.167 16.654 ( -15.212 4.273 -4.571) 16.448 17.169 ( 17.993 -4.944 -1.994) 18.766 17.273 ( -6.155 -1.717 15.986) 17.216 18.141 ( 0.146 0.024 0.598) 0.616 18.151 ( 0.118 -0.159 1.017) 1.036 ======================= Grid point 148 (83/111) ======================= q-point: (-0.56 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -1.671 1.537 -1.993) 3.022 1.770 ( -0.944 1.018 -2.784) 3.111 1.778 ( 1.054 3.925 0.272) 4.073 1.956 ( -13.527 4.148 -4.013) 14.707 2.251 ( 6.364 -1.511 -1.940) 6.822 2.447 ( -10.423 -6.332 0.773) 12.220 2.602 ( 6.441 -0.921 0.919) 6.571 2.674 ( -3.142 0.079 1.339) 3.417 2.933 ( 7.438 -6.804 -3.371) 10.629 3.007 ( -0.359 6.471 5.881) 8.751 3.127 ( 2.115 2.659 0.543) 3.441 3.184 ( -0.692 -7.201 -4.775) 8.668 3.314 ( -0.755 -2.903 0.265) 3.012 3.465 ( 5.903 -1.580 -3.150) 6.875 3.504 ( 2.785 -3.634 -9.014) 10.110 3.600 ( -2.122 2.653 0.223) 3.405 3.643 ( 1.472 0.442 -1.919) 2.459 3.707 ( -4.413 5.895 0.103) 7.364 3.891 ( -3.793 -4.312 8.227) 10.033 3.985 ( 5.142 -0.698 7.622) 9.221 4.101 ( -4.129 8.662 3.552) 10.232 4.264 ( 6.914 6.387 3.149) 9.925 4.413 ( 12.661 0.840 -10.220) 16.293 4.486 ( -2.040 -3.030 3.488) 5.051 4.575 ( 3.135 -1.821 -7.159) 8.024 4.637 ( -2.705 0.783 13.337) 13.631 4.707 ( -6.673 4.765 3.870) 9.067 4.792 ( 2.452 4.306 1.161) 5.089 4.918 ( -7.840 -1.538 -5.423) 9.656 5.045 ( -0.875 -4.408 -9.749) 10.735 5.076 ( -9.029 0.158 -0.838) 9.070 5.116 ( -8.008 1.579 -7.723) 11.237 5.553 ( 2.800 -3.793 6.271) 7.845 5.586 ( 3.011 2.531 -0.961) 4.049 5.707 ( -1.069 -4.002 3.268) 5.277 5.811 ( -3.127 -1.541 -0.195) 3.491 5.944 ( -4.536 2.072 -0.627) 5.026 6.081 ( 1.907 -5.117 -5.965) 8.087 6.373 ( 7.385 -2.238 6.080) 9.824 6.436 ( 7.002 -3.540 7.395) 10.782 6.628 ( 1.805 5.376 0.505) 5.694 6.731 ( 0.816 4.434 -2.601) 5.205 6.957 ( -3.111 5.731 -0.596) 6.548 7.193 ( -3.100 -0.549 -6.026) 6.799 7.688 ( -5.144 -5.505 4.982) 9.032 7.979 ( 3.220 -7.548 -6.837) 10.681 8.209 ( -0.257 2.701 3.971) 4.810 8.240 ( -4.469 6.107 4.585) 8.848 8.371 ( -0.128 -0.371 1.595) 1.643 8.681 ( 6.632 11.486 -10.260) 16.768 9.142 ( -6.760 -11.593 8.351) 15.806 9.488 ( 4.253 -8.984 -7.415) 12.401 10.335 ( -7.620 7.699 8.607) 13.836 10.667 ( 4.687 -1.077 -7.531) 8.936 11.207 ( 2.567 3.422 1.904) 4.682 11.423 ( 3.646 -2.549 3.368) 5.579 11.593 ( -0.523 2.154 -2.499) 3.340 11.801 ( -3.849 -3.660 -2.033) 5.688 11.965 ( -6.327 5.202 0.410) 8.201 12.090 ( 0.193 7.449 -6.483) 9.877 12.517 ( 1.304 -3.263 0.865) 3.618 12.570 ( 3.036 -0.972 -2.308) 3.936 12.697 ( -0.444 -2.223 3.300) 4.003 12.760 ( 0.093 -2.218 -0.977) 2.425 13.359 ( -6.096 0.329 7.229) 9.462 13.492 ( 8.693 -3.475 -1.073) 9.423 14.525 ( 1.351 3.709 -2.065) 4.455 14.940 ( -7.309 -7.631 -11.605) 15.695 15.024 ( 2.449 4.784 3.000) 6.155 15.443 ( 2.904 -3.262 1.594) 4.650 15.602 ( 0.456 8.008 -5.409) 9.674 16.101 ( 2.068 -4.249 0.465) 4.748 16.172 ( -3.704 -0.613 0.759) 3.831 16.370 ( -7.808 -0.244 -6.357) 10.071 17.309 ( -7.272 2.294 14.423) 16.315 17.456 ( 16.061 -1.760 -1.726) 16.249 18.150 ( 0.163 0.065 0.710) 0.731 18.158 ( -0.470 -0.101 0.823) 0.953 ======================= Grid point 149 (84/111) ======================= q-point: (-0.44 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -5.027 1.857 3.172) 6.228 1.631 ( -15.094 3.919 -2.722) 15.830 1.772 ( 1.743 4.467 -1.242) 4.953 1.859 ( 5.721 1.946 1.654) 6.265 2.241 ( -12.770 -3.856 1.114) 13.386 2.335 ( -1.897 -6.335 3.375) 7.425 2.609 ( -3.095 -4.985 1.079) 5.966 2.755 ( 8.288 1.436 0.226) 8.414 2.916 ( -6.226 -4.903 0.672) 7.953 3.017 ( -2.516 5.041 -2.582) 6.197 3.162 ( 8.159 -8.878 -3.237) 12.485 3.229 ( 6.130 3.331 -1.234) 7.085 3.294 ( -2.193 -6.217 0.780) 6.639 3.425 ( -1.894 0.213 -6.992) 7.247 3.507 ( -2.806 2.726 1.062) 4.054 3.539 ( -4.212 6.242 -2.278) 7.867 3.613 ( -1.232 1.733 -2.821) 3.532 3.645 ( -3.520 3.228 2.230) 5.271 3.921 ( -8.144 0.173 12.071) 14.562 3.992 ( -7.846 3.417 1.755) 8.736 4.203 ( 9.156 1.417 7.821) 12.125 4.321 ( 0.745 -1.495 -4.703) 4.991 4.424 ( -6.413 0.333 -0.761) 6.467 4.452 ( -6.925 -2.306 -6.419) 9.720 4.553 ( 1.726 2.516 2.728) 4.093 4.642 ( -3.268 3.169 1.999) 4.972 4.715 ( 5.272 1.855 -3.351) 6.516 4.793 ( -0.966 -2.467 5.814) 6.390 4.851 ( 0.729 3.025 2.870) 4.233 4.955 ( 2.890 0.812 -2.528) 3.925 5.048 ( 5.952 -1.046 -4.110) 7.308 5.078 ( 9.451 0.610 -3.225) 10.005 5.622 ( -0.820 -1.482 3.547) 3.931 5.668 ( 0.561 0.385 1.802) 1.926 5.728 ( 3.685 -1.278 1.665) 4.241 5.798 ( -0.271 -1.860 1.835) 2.627 5.848 ( -3.530 -0.001 -1.072) 3.689 6.034 ( 2.491 -7.044 -7.999) 10.945 6.476 ( -0.947 0.712 1.578) 1.974 6.569 ( 1.179 -2.346 -1.311) 2.934 6.674 ( -2.027 2.010 -0.020) 2.855 6.737 ( 5.359 1.657 0.492) 5.631 6.950 ( 3.534 5.064 3.117) 6.918 7.077 ( -0.433 3.157 -6.947) 7.643 7.671 ( -3.503 -5.977 5.557) 8.881 7.975 ( 4.930 -5.797 -6.396) 9.941 8.221 ( -2.886 7.176 5.507) 9.494 8.256 ( 0.735 0.792 1.848) 2.140 8.383 ( 0.002 -0.478 0.516) 0.703 8.693 ( 8.205 11.040 -10.347) 17.213 9.126 ( -6.365 -11.592 9.104) 16.056 9.475 ( 3.545 -8.411 -7.030) 11.521 10.311 ( -6.603 7.976 9.132) 13.806 10.675 ( 5.719 -1.799 -7.296) 9.443 11.302 ( 3.749 3.469 5.184) 7.278 11.413 ( -3.628 0.362 -5.256) 6.397 11.664 ( 6.812 -2.185 4.105) 8.248 11.687 ( -5.063 -2.664 -3.391) 6.651 11.896 ( -3.759 7.519 2.237) 8.699 12.043 ( 1.431 5.475 -4.676) 7.341 12.523 ( -1.462 -2.355 0.340) 2.792 12.573 ( 0.295 -0.566 -2.387) 2.471 12.701 ( -1.461 -1.554 1.423) 2.564 12.777 ( 1.822 -4.215 0.169) 4.595 13.305 ( -8.977 2.766 6.815) 11.605 13.603 ( 6.918 -4.742 -2.902) 8.875 14.577 ( 4.003 -0.609 3.000) 5.039 14.689 ( -7.475 -2.963 -9.791) 12.669 15.149 ( 4.432 7.299 8.343) 11.939 15.348 ( -4.213 5.220 -8.144) 10.551 15.720 ( 5.970 -2.453 7.676) 10.029 15.899 ( -12.852 -3.248 -10.991) 17.220 16.127 ( -4.972 -2.061 4.442) 6.978 16.365 ( 7.002 -8.123 -2.788) 11.081 17.308 ( -7.905 8.257 8.694) 14.362 17.669 ( 12.828 -1.839 -3.955) 13.549 18.155 ( -0.672 0.053 0.576) 0.887 18.161 ( 0.099 -0.056 0.701) 0.710 ======================= Grid point 150 (85/111) ======================= q-point: (-0.33 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -16.171 2.007 5.476) 17.191 1.546 ( -4.127 7.228 11.300) 14.035 1.832 ( 5.899 3.274 -0.720) 6.785 1.996 ( 4.949 2.065 3.577) 6.446 2.039 ( -10.001 -4.550 0.280) 10.990 2.270 ( -11.111 -10.358 4.585) 15.867 2.595 ( -2.337 -8.751 3.144) 9.588 2.783 ( -2.786 -2.080 -2.741) 4.427 2.839 ( -3.491 -0.754 0.669) 3.634 3.019 ( 4.807 4.563 -0.818) 6.678 3.147 ( -10.676 -2.820 -0.602) 11.059 3.212 ( -15.109 5.990 4.261) 16.802 3.281 ( -4.458 5.989 1.903) 7.704 3.300 ( 0.954 -3.156 1.287) 3.540 3.459 ( -1.336 3.677 -3.804) 5.456 3.466 ( 3.199 0.955 -1.854) 3.819 3.559 ( -0.840 3.828 -1.056) 4.059 3.666 ( 2.770 1.253 0.872) 3.163 3.864 ( -2.867 -0.972 2.787) 4.114 3.975 ( -5.836 -4.258 5.115) 8.851 4.148 ( -6.324 2.300 -4.739) 8.230 4.307 ( -3.562 -0.259 -3.813) 5.225 4.346 ( -1.458 -6.352 -4.505) 7.923 4.379 ( 4.729 3.411 1.806) 6.104 4.591 ( -3.488 3.026 0.161) 4.620 4.665 ( 1.736 0.643 1.533) 2.404 4.748 ( 4.335 1.484 1.485) 4.817 4.847 ( 1.711 -1.701 2.737) 3.648 4.914 ( 3.312 2.264 2.282) 4.616 5.055 ( 6.139 1.396 3.188) 7.056 5.158 ( 8.991 0.033 -0.621) 9.012 5.295 ( 16.959 1.782 -2.236) 17.198 5.571 ( -3.479 1.331 -1.899) 4.181 5.687 ( 0.755 -0.433 -1.553) 1.780 5.754 ( -0.087 -0.792 -0.349) 0.870 5.842 ( -0.502 -3.418 -0.134) 3.457 5.865 ( 3.891 -2.643 5.971) 7.601 6.047 ( 5.706 -5.261 -1.138) 7.844 6.426 ( -5.800 2.015 -0.219) 6.144 6.446 ( -6.471 0.931 -5.911) 8.813 6.621 ( -0.447 3.084 -2.751) 4.157 6.818 ( 3.269 -0.814 -2.994) 4.507 6.991 ( 1.113 4.929 -0.711) 5.103 7.166 ( 9.508 1.648 2.370) 9.937 7.692 ( -1.548 -6.158 5.989) 8.728 8.001 ( 6.156 -4.997 -6.311) 10.133 8.249 ( 0.334 5.734 3.003) 6.481 8.281 ( 0.048 -0.278 1.484) 1.510 8.382 ( -0.655 1.055 0.731) 1.441 8.728 ( 9.062 10.407 -9.978) 17.029 9.128 ( -5.457 -10.522 9.361) 15.103 9.455 ( 2.629 -7.393 -6.122) 9.952 10.316 ( -4.902 7.583 9.557) 13.148 10.696 ( 6.176 -2.604 -7.124) 9.781 11.278 ( -3.695 1.062 -6.053) 7.171 11.408 ( 1.086 -0.178 3.354) 3.529 11.564 ( -2.027 1.171 -2.096) 3.142 11.816 ( 1.673 -0.162 1.811) 2.471 11.912 ( 3.151 4.134 6.167) 8.065 12.048 ( 3.193 4.680 -0.553) 5.692 12.472 ( -4.666 -1.393 0.176) 4.872 12.551 ( 0.094 0.931 -1.294) 1.597 12.695 ( -0.549 -2.256 0.606) 2.400 12.793 ( -0.134 -6.262 -0.637) 6.296 13.221 ( -8.971 5.300 5.404) 11.738 13.638 ( 2.351 -5.608 -6.220) 8.699 14.510 ( -4.337 1.133 -3.859) 5.915 14.714 ( 4.787 -5.505 8.550) 11.240 15.199 ( -1.653 3.180 -8.165) 8.917 15.356 ( 6.750 9.188 11.000) 15.842 15.538 ( -14.080 -4.169 -10.587) 18.103 15.868 ( -2.061 0.037 6.559) 6.876 16.127 ( -0.403 -1.129 7.649) 7.742 16.440 ( 5.277 -12.981 -3.306) 14.398 17.234 ( -7.490 12.665 1.564) 14.797 17.785 ( 8.447 -3.550 -7.472) 11.823 18.150 ( -0.365 0.021 0.181) 0.408 18.166 ( -0.401 -0.256 0.467) 0.666 ======================= Grid point 151 (86/111) ======================= q-point: (-0.22 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -10.929 0.012 15.531) 18.991 1.620 ( -8.801 11.673 17.926) 23.132 1.885 ( -2.226 -7.741 -4.314) 9.137 1.931 ( 6.028 2.001 0.270) 6.358 2.082 ( -12.297 -10.007 4.795) 16.564 2.139 ( 0.296 -0.593 5.457) 5.497 2.610 ( -3.139 -11.930 8.813) 15.161 2.691 ( -6.983 6.784 0.798) 9.768 2.773 ( -6.479 -3.423 1.707) 7.524 2.902 ( -13.865 3.891 8.069) 16.507 3.048 ( -8.586 5.675 6.437) 12.140 3.136 ( 7.768 4.767 -6.723) 11.325 3.242 ( -3.387 7.233 3.045) 8.548 3.323 ( -1.572 -2.898 -4.575) 5.639 3.397 ( 0.079 4.429 5.713) 7.229 3.453 ( -0.696 -0.732 -4.862) 4.965 3.619 ( 5.509 2.222 -3.288) 6.790 3.755 ( 5.743 -3.745 5.363) 8.705 3.853 ( -4.308 -0.428 2.037) 4.784 3.934 ( -0.182 -3.622 0.823) 3.719 4.050 ( -3.216 -2.305 -1.369) 4.187 4.203 ( -2.656 -6.996 -5.413) 9.236 4.316 ( 2.596 0.454 -1.757) 3.168 4.455 ( 2.880 -0.174 0.896) 3.021 4.528 ( -2.414 4.008 -1.796) 5.012 4.638 ( 0.558 4.403 -4.447) 6.283 4.833 ( -3.324 0.356 1.710) 3.755 4.854 ( 1.383 2.506 0.381) 2.887 5.006 ( 3.406 1.286 -1.394) 3.899 5.160 ( 3.025 0.510 1.062) 3.246 5.320 ( 7.315 -1.285 3.501) 8.211 5.477 ( 7.411 2.431 -4.426) 8.968 5.523 ( -0.061 2.288 -2.457) 3.358 5.678 ( 2.863 -0.287 -3.835) 4.795 5.766 ( -0.577 -3.258 1.300) 3.555 5.861 ( 3.587 -8.479 4.193) 10.116 6.004 ( 4.949 -0.585 4.675) 6.833 6.098 ( 0.410 -0.952 -2.346) 2.565 6.300 ( -0.803 2.289 -4.123) 4.784 6.370 ( -1.717 3.432 1.528) 4.130 6.611 ( 2.076 2.271 -1.455) 3.403 6.807 ( 2.453 1.174 -5.746) 6.357 7.003 ( -0.555 5.120 -0.094) 5.151 7.287 ( 2.793 -0.597 -1.015) 3.031 7.738 ( -1.091 -6.539 5.873) 8.857 8.034 ( 6.314 -5.913 -7.193) 11.250 8.264 ( -0.244 1.421 -0.743) 1.622 8.292 ( 0.167 -0.407 -0.628) 0.767 8.395 ( -0.510 5.569 4.223) 7.008 8.771 ( 8.418 9.666 -9.393) 15.892 9.143 ( -4.780 -9.059 8.949) 13.601 9.430 ( 1.687 -6.451 -5.090) 8.389 10.353 ( -3.113 6.809 9.592) 12.168 10.726 ( 6.336 -2.508 -6.722) 9.572 11.187 ( -1.052 1.017 -3.058) 3.390 11.400 ( 0.164 -5.053 -1.007) 5.155 11.605 ( 2.795 3.301 3.085) 5.313 11.813 ( -0.763 3.262 0.049) 3.351 12.055 ( 6.251 3.153 4.051) 8.089 12.154 ( 4.952 1.510 5.858) 7.818 12.398 ( -3.784 -0.991 0.477) 3.941 12.559 ( 2.054 2.138 -0.092) 2.966 12.684 ( -3.238 -3.781 2.038) 5.380 12.764 ( -0.087 -5.612 -2.880) 6.308 13.123 ( -8.143 6.063 2.747) 10.517 13.521 ( -7.116 -5.179 -8.730) 12.397 14.483 ( 1.567 3.732 3.424) 5.302 14.905 ( 4.036 -7.324 11.163) 13.948 15.113 ( 0.852 0.017 -6.570) 6.625 15.237 ( -8.685 -0.828 -6.282) 10.751 15.607 ( 8.234 7.368 10.860) 15.493 15.797 ( -7.540 4.908 -1.291) 9.088 16.262 ( -0.496 -3.611 14.116) 14.579 16.460 ( 1.739 -13.426 -3.810) 14.064 17.111 ( -4.976 14.653 -3.918) 15.963 17.790 ( 3.657 -5.358 -10.061) 11.971 18.140 ( -1.151 -0.340 -0.209) 1.219 18.157 ( -1.013 -0.409 0.124) 1.100 ======================= Grid point 152 (87/111) ======================= q-point: (-0.11 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -2.794 -2.543 20.237) 20.587 1.619 ( -12.392 6.906 20.106) 24.607 1.826 ( -1.392 -8.985 -5.462) 10.606 1.916 ( -5.669 -3.804 0.442) 6.841 2.072 ( 4.436 -0.043 0.620) 4.480 2.233 ( 0.723 -4.478 11.833) 12.672 2.554 ( -8.829 3.139 4.333) 10.324 2.644 ( -9.522 3.183 11.303) 15.118 2.763 ( 2.441 -4.761 4.130) 6.759 2.873 ( 0.808 -0.170 5.529) 5.590 3.027 ( 0.135 5.429 0.458) 5.450 3.157 ( 0.509 4.255 0.558) 4.322 3.209 ( 0.910 4.819 -7.487) 8.950 3.273 ( -1.209 1.854 3.596) 4.222 3.383 ( 0.277 -0.207 -5.028) 5.040 3.540 ( 2.980 2.161 11.656) 12.223 3.635 ( 2.256 2.575 -4.111) 5.350 3.775 ( -8.314 -0.642 5.082) 9.765 3.878 ( 0.559 -2.338 -0.248) 2.416 3.938 ( 0.377 -3.685 -1.360) 3.946 4.029 ( 6.584 -7.615 -5.400) 11.424 4.171 ( 1.735 -7.687 1.931) 8.114 4.330 ( -0.921 -2.998 -2.183) 3.822 4.440 ( -1.826 5.796 -1.611) 6.287 4.550 ( 3.256 -0.644 -0.154) 3.323 4.586 ( -0.487 3.605 -5.216) 6.359 4.751 ( -3.420 3.787 -2.765) 5.804 4.872 ( -0.339 4.751 0.935) 4.854 4.984 ( -0.795 2.470 -3.005) 3.970 5.174 ( -1.346 -0.507 -0.552) 1.541 5.366 ( -2.529 2.127 -3.234) 4.624 5.457 ( -1.572 1.319 -6.507) 6.823 5.544 ( 4.780 -0.344 0.207) 4.797 5.688 ( 1.134 0.469 -2.108) 2.440 5.765 ( 0.030 -7.316 0.337) 7.324 5.957 ( -1.511 -11.746 1.062) 11.891 6.079 ( 4.061 3.037 4.030) 6.477 6.192 ( 8.407 -0.234 2.915) 8.901 6.286 ( 3.647 4.681 0.066) 5.934 6.410 ( 2.613 2.465 0.403) 3.615 6.647 ( 3.421 3.543 -2.060) 5.339 6.797 ( 2.977 0.115 -4.705) 5.569 6.959 ( -2.398 5.629 -2.194) 6.500 7.228 ( -6.271 -0.902 -3.425) 7.202 7.770 ( -2.307 -6.782 5.081) 8.783 8.045 ( 4.893 -7.811 -8.202) 12.338 8.240 ( -2.462 0.074 0.439) 2.502 8.272 ( 1.041 0.045 -3.243) 3.406 8.439 ( -1.162 8.371 5.329) 9.991 8.798 ( 6.593 9.107 -8.987) 14.393 9.159 ( -4.414 -8.306 8.135) 12.435 9.411 ( 2.389 -6.564 -4.335) 8.221 10.409 ( -2.698 6.475 9.134) 11.517 10.759 ( 5.854 -1.512 -6.275) 8.714 11.178 ( 1.314 1.311 0.696) 1.983 11.416 ( 1.262 -4.231 -0.341) 4.428 11.664 ( 0.243 0.919 2.276) 2.466 11.821 ( 4.199 0.878 -3.383) 5.463 12.232 ( 9.442 3.723 4.050) 10.928 12.268 ( 0.303 0.137 5.388) 5.398 12.389 ( 1.468 -3.159 2.254) 4.149 12.592 ( -4.041 -3.998 0.875) 5.752 12.647 ( 2.088 1.143 2.354) 3.348 12.762 ( 3.569 -0.521 -2.676) 4.491 13.014 ( -6.771 4.141 0.468) 7.951 13.236 ( -16.057 -2.093 -6.145) 17.319 14.619 ( 6.439 5.167 7.760) 11.330 14.993 ( 0.136 -1.129 -1.673) 2.023 15.023 ( -1.835 2.069 -2.478) 3.713 15.281 ( 7.470 -5.932 9.661) 13.576 15.600 ( -9.641 5.941 -4.238) 12.092 15.873 ( 11.142 2.606 4.496) 12.294 16.333 ( -9.155 -5.065 11.277) 15.383 16.432 ( 1.862 -11.337 -5.613) 12.787 17.024 ( -1.271 14.116 -0.769) 14.194 17.694 ( -1.907 -5.548 -10.242) 11.803 18.113 ( -1.816 -0.072 0.437) 1.869 18.138 ( -1.071 -0.458 -0.102) 1.169 ======================= Grid point 153 (88/111) ======================= q-point: ( 0.00 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 0.912 0.925 15.655) 15.709 1.611 ( -0.331 -7.972 6.046) 10.011 1.737 ( -2.889 8.586 4.734) 10.221 1.938 ( -1.252 -2.424 3.997) 4.839 2.089 ( 4.338 -4.320 -1.257) 6.250 2.132 ( 1.932 -3.663 4.573) 6.170 2.592 ( -0.549 3.527 7.219) 8.053 2.683 ( 0.885 -3.176 -1.749) 3.732 2.787 ( 5.065 2.799 -4.521) 7.343 2.877 ( 5.677 -4.589 -6.604) 9.844 3.151 ( -5.903 6.001 0.790) 8.455 3.236 ( -0.693 -1.553 2.443) 2.977 3.291 ( 2.561 3.906 -0.864) 4.750 3.360 ( 2.332 -1.392 1.732) 3.221 3.461 ( -0.341 8.117 5.846) 10.009 3.595 ( -2.205 -3.894 -2.668) 5.210 3.703 ( -1.580 4.945 2.381) 5.711 3.760 ( -1.005 -1.496 1.151) 2.138 3.779 ( -3.577 1.214 14.410) 14.897 3.889 ( -1.847 -8.608 -3.780) 9.581 3.899 ( 2.925 2.130 -2.147) 4.208 4.045 ( 0.019 -9.892 4.180) 10.739 4.331 ( 2.029 5.657 3.225) 6.820 4.443 ( -0.070 -3.413 1.766) 3.843 4.551 ( -0.063 3.069 -4.801) 5.698 4.602 ( 1.142 -1.185 -3.329) 3.714 4.795 ( -4.324 9.080 -1.601) 10.183 4.913 ( -1.019 -1.771 -4.084) 4.567 5.087 ( 3.246 5.780 1.597) 6.819 5.172 ( 4.811 -0.462 2.147) 5.289 5.314 ( -7.291 2.794 -3.673) 8.629 5.363 ( -6.234 0.773 -4.246) 7.582 5.554 ( 0.223 -4.435 -0.184) 4.444 5.602 ( -1.537 -6.460 -2.054) 6.951 5.664 ( -2.344 -1.225 -1.963) 3.293 5.685 ( 0.216 -3.856 -1.851) 4.283 6.251 ( 2.563 2.637 -0.122) 3.679 6.294 ( 3.244 -0.996 -0.188) 3.398 6.458 ( 2.178 1.979 3.513) 4.583 6.496 ( 6.437 -0.803 6.133) 8.927 6.737 ( -1.235 3.309 -5.055) 6.166 6.755 ( -3.889 1.064 -5.164) 6.551 7.020 ( 1.941 1.642 -0.714) 2.641 7.046 ( -4.684 -0.871 -2.005) 5.169 7.716 ( -0.178 1.759 -0.859) 1.965 7.833 ( 2.601 -8.912 -6.281) 11.209 8.220 ( -1.000 1.446 -0.614) 1.863 8.252 ( 1.035 -1.511 -1.938) 2.666 8.684 ( -3.664 11.845 6.855) 14.167 8.899 ( -1.278 -6.311 3.406) 7.284 9.060 ( 1.557 4.947 -4.085) 6.602 9.238 ( 3.752 -9.731 -6.108) 12.086 10.599 ( -1.684 7.410 4.736) 8.954 10.722 ( 1.305 -4.413 -1.165) 4.747 11.284 ( 1.591 3.007 3.787) 5.091 11.352 ( 0.165 -3.527 1.997) 4.056 11.724 ( -0.134 3.837 -1.446) 4.103 11.798 ( 2.615 -3.515 -4.037) 5.957 12.308 ( -0.518 0.716 1.156) 1.455 12.350 ( -0.612 -2.566 -0.228) 2.648 12.417 ( -2.827 -0.402 2.153) 3.576 12.437 ( 6.446 -1.869 1.521) 6.882 12.838 ( 8.287 2.487 2.420) 8.984 12.867 ( 6.972 0.446 0.759) 7.028 12.923 ( -10.062 0.417 -1.145) 10.136 12.934 ( -11.621 -0.102 -1.559) 11.725 14.893 ( 2.732 5.111 0.699) 5.837 14.973 ( 3.819 -2.350 -3.384) 5.617 15.198 ( 9.587 8.319 7.042) 14.516 15.381 ( 8.290 -9.096 11.901) 17.120 15.561 ( -10.499 12.749 -6.007) 17.574 15.833 ( -6.661 -13.023 -4.130) 15.199 16.241 ( 2.123 0.482 0.853) 2.338 16.286 ( 5.436 -4.130 -1.454) 6.980 17.250 ( -4.425 9.219 2.949) 10.643 17.412 ( -6.319 -6.675 -3.399) 9.800 18.105 ( -0.319 0.394 0.471) 0.693 18.115 ( -0.326 -0.518 0.116) 0.623 ======================= Grid point 154 (89/111) ======================= q-point: ( 0.11 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -0.315 2.144 3.683) 4.273 1.687 ( 0.634 -4.009 13.400) 14.001 1.765 ( 3.513 5.845 -0.739) 6.860 1.994 ( 6.361 -12.862 -4.696) 15.098 2.172 ( 7.602 6.141 0.181) 9.774 2.265 ( 9.375 -2.803 0.623) 9.805 2.637 ( -1.259 3.100 3.074) 4.543 2.672 ( 2.318 -1.043 0.761) 2.654 2.841 ( 4.507 -0.220 -5.477) 7.096 2.918 ( 8.364 -6.133 -8.956) 13.703 3.027 ( -8.341 8.710 1.937) 12.214 3.199 ( -7.349 -7.418 4.559) 11.394 3.287 ( 2.777 6.167 -4.968) 8.392 3.385 ( 1.229 -3.515 -4.056) 5.506 3.510 ( -2.433 2.117 4.141) 5.249 3.590 ( -2.568 -5.694 2.617) 6.772 3.608 ( -3.022 5.587 -3.269) 7.143 3.750 ( -3.950 -7.667 -5.483) 10.220 3.839 ( 2.503 8.630 11.259) 14.405 3.917 ( -3.838 3.562 14.032) 14.977 3.962 ( 4.959 -1.528 1.540) 5.413 4.097 ( 0.978 -8.515 1.832) 8.765 4.376 ( -1.296 6.228 0.128) 6.363 4.453 ( 3.949 1.438 0.880) 4.294 4.540 ( 2.735 1.495 -5.052) 5.936 4.614 ( 4.265 0.107 -4.880) 6.482 4.743 ( -2.111 3.211 3.052) 4.908 4.842 ( -2.003 -1.959 -2.116) 3.511 5.130 ( -3.487 5.296 -1.792) 6.589 5.133 ( -6.862 2.875 -1.923) 7.684 5.266 ( 1.037 2.061 2.168) 3.166 5.325 ( 7.255 -1.285 2.746) 7.863 5.530 ( -3.188 -5.048 -0.418) 5.985 5.554 ( -1.941 -5.769 0.636) 6.120 5.628 ( -0.994 1.123 1.027) 1.818 5.702 ( 2.232 -6.570 0.406) 6.951 6.236 ( -2.338 1.495 -1.871) 3.347 6.275 ( -2.012 -2.264 -4.162) 5.147 6.533 ( -7.773 3.215 -3.716) 9.195 6.546 ( -6.817 2.661 0.411) 7.329 6.589 ( -3.937 2.652 -3.135) 5.689 6.655 ( 3.383 -2.278 4.530) 6.095 7.027 ( 3.010 5.094 -0.326) 5.926 7.103 ( 6.336 -2.369 0.236) 6.769 7.707 ( -0.227 1.275 -0.055) 1.296 7.818 ( 3.063 -8.936 -5.202) 10.784 8.199 ( -1.148 2.470 0.049) 2.725 8.250 ( 0.742 -2.443 -1.148) 2.799 8.679 ( -6.120 12.516 7.249) 15.705 8.901 ( -2.054 -5.145 2.115) 5.929 9.043 ( 1.119 4.230 -3.090) 5.356 9.241 ( 4.764 -11.064 -6.627) 13.749 10.601 ( -3.770 7.006 4.039) 8.922 10.711 ( -0.494 -3.740 -1.794) 4.177 11.327 ( -0.929 1.171 1.590) 2.182 11.347 ( -1.588 -0.713 0.078) 1.743 11.702 ( -0.417 4.630 -1.091) 4.775 11.797 ( 2.180 -4.795 -3.477) 6.312 12.314 ( -0.506 -1.554 1.471) 2.199 12.326 ( -1.901 -2.247 0.350) 2.964 12.429 ( 2.354 5.392 -0.328) 5.893 12.531 ( 3.617 -4.455 -0.400) 5.752 12.695 ( -11.487 3.551 -0.412) 12.030 12.763 ( -6.975 -3.055 -1.866) 7.840 13.008 ( 8.110 2.532 3.376) 9.142 13.048 ( 8.631 -1.419 3.044) 9.261 14.919 ( 2.542 4.608 -2.657) 5.895 14.994 ( 4.051 -1.471 -4.983) 6.589 15.292 ( -8.589 9.687 -6.843) 14.643 15.486 ( 9.210 9.689 6.837) 15.014 15.514 ( -7.826 -9.384 1.066) 12.266 15.724 ( 2.893 -12.408 2.689) 13.022 16.308 ( 7.566 5.611 -3.568) 10.072 16.435 ( 13.919 -6.421 -0.714) 15.345 17.199 ( -9.151 2.799 8.289) 12.661 17.244 ( -11.019 -1.776 -1.010) 11.207 18.114 ( 0.517 0.172 0.592) 0.805 18.118 ( 0.403 -0.273 0.289) 0.566 ======================= Grid point 155 (90/111) ======================= q-point: ( 0.22 0.40 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 2.941 4.268 -0.393) 5.198 1.736 ( -1.566 0.359 -0.087) 1.609 1.861 ( 2.954 1.807 3.899) 5.214 2.031 ( 8.033 -11.454 -8.615) 16.430 2.321 ( 8.796 4.778 -0.960) 10.056 2.397 ( 8.077 -0.111 -5.214) 9.614 2.668 ( 1.221 3.156 2.999) 4.522 2.709 ( -5.810 0.499 -6.538) 8.761 2.783 ( 4.695 -0.678 -0.513) 4.771 2.866 ( -0.289 -4.233 -8.220) 9.251 3.044 ( 2.500 0.775 3.410) 4.299 3.138 ( -6.136 -3.686 5.375) 8.951 3.288 ( 1.570 2.772 -0.824) 3.290 3.362 ( 3.509 -3.657 -3.113) 5.948 3.492 ( -0.600 3.353 0.384) 3.428 3.559 ( -2.872 -2.266 4.282) 5.632 3.625 ( 1.633 0.036 1.390) 2.145 3.681 ( 0.423 -4.436 -1.624) 4.743 3.943 ( -5.003 4.635 3.890) 7.852 3.994 ( 0.517 4.691 11.079) 12.042 4.027 ( 0.785 -1.739 -4.359) 4.758 4.098 ( 2.227 -2.820 1.722) 3.985 4.372 ( 0.952 4.418 -0.146) 4.521 4.481 ( -0.200 -4.038 -4.506) 6.053 4.585 ( 6.782 6.356 -0.984) 9.346 4.625 ( 1.196 8.228 0.694) 8.343 4.746 ( -1.705 -1.626 1.989) 3.083 4.844 ( 2.515 -6.175 0.362) 6.677 4.975 ( -5.424 2.194 -3.832) 6.995 5.037 ( -5.420 -3.731 -1.315) 6.710 5.377 ( 3.053 7.674 5.491) 9.918 5.452 ( 0.011 -1.126 2.103) 2.386 5.475 ( -0.605 0.168 -0.282) 0.688 5.572 ( 2.447 -5.076 4.345) 7.116 5.636 ( -0.728 1.532 2.334) 2.885 5.767 ( 3.342 -8.782 3.055) 9.880 6.115 ( -8.893 0.483 -4.305) 9.892 6.127 ( -9.744 -0.882 -5.433) 11.191 6.322 ( -5.988 1.499 -3.942) 7.324 6.344 ( -7.575 -0.552 -3.035) 8.179 6.655 ( 1.448 5.985 4.781) 7.796 6.740 ( 2.049 -1.731 2.690) 3.799 7.087 ( 3.109 6.701 0.151) 7.388 7.194 ( 4.013 -3.815 -0.322) 5.546 7.701 ( -0.759 1.359 0.061) 1.558 7.816 ( 3.020 -9.292 -5.220) 11.078 8.189 ( -0.656 3.104 1.305) 3.430 8.254 ( 0.569 -3.031 -0.117) 3.086 8.639 ( -8.415 13.367 7.963) 17.689 8.878 ( -3.187 -5.365 1.898) 6.522 9.029 ( 1.043 4.679 -3.090) 5.704 9.250 ( 5.441 -12.335 -7.592) 15.472 10.568 ( -4.675 6.853 3.392) 8.962 10.676 ( -0.941 -3.618 -2.259) 4.368 11.284 ( -2.010 2.059 -2.156) 3.595 11.320 ( -1.932 -1.579 -0.193) 2.502 11.697 ( 0.362 4.888 -0.093) 4.902 11.795 ( 0.986 -4.819 -1.996) 5.308 12.271 ( -5.187 2.470 0.611) 5.778 12.326 ( -0.069 -3.163 -0.280) 3.176 12.458 ( 1.179 6.309 -2.213) 6.789 12.536 ( -2.671 -2.091 0.838) 3.494 12.567 ( -1.697 2.346 0.386) 2.921 12.690 ( 1.024 -7.265 -2.982) 7.919 13.171 ( 6.818 1.883 3.730) 7.996 13.212 ( 5.860 -1.839 4.390) 7.550 14.892 ( -2.385 8.114 -6.120) 10.439 14.992 ( 2.099 1.935 -3.742) 4.706 15.129 ( -0.139 0.362 -6.775) 6.786 15.290 ( -7.614 -11.429 -8.471) 16.136 15.707 ( 5.345 6.675 7.714) 11.517 15.845 ( 2.142 -6.722 6.902) 9.870 16.394 ( 9.103 14.209 -8.632) 18.955 16.689 ( 17.923 -13.425 -7.011) 23.466 17.038 ( -14.237 6.009 6.074) 16.604 17.150 ( -10.012 -4.438 13.850) 17.657 18.130 ( 0.496 0.025 0.580) 0.764 18.132 ( 0.562 -0.143 0.678) 0.892 ======================= Grid point 156 (91/111) ======================= q-point: ( 0.33 0.40 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -1.039 2.755 -3.126) 4.295 1.730 ( 2.029 -0.572 -0.701) 2.221 1.910 ( 2.659 6.508 -1.741) 7.242 2.080 ( 5.343 -7.204 -5.424) 10.482 2.377 ( -3.450 0.950 -8.373) 9.105 2.389 ( 1.129 -2.597 -4.085) 4.970 2.540 ( 2.335 6.414 -7.769) 10.342 2.677 ( 0.469 -3.500 -1.868) 3.995 2.831 ( 2.140 0.352 -0.983) 2.381 2.901 ( 2.700 -4.255 5.109) 7.177 3.119 ( 2.901 0.141 1.192) 3.140 3.139 ( 0.220 -0.776 4.974) 5.039 3.302 ( -0.622 2.643 0.101) 2.717 3.395 ( 3.232 -5.790 -4.708) 8.132 3.485 ( -0.785 3.656 0.754) 3.814 3.572 ( -0.870 -4.689 3.076) 5.675 3.668 ( 0.973 2.816 1.307) 3.254 3.729 ( 3.432 -2.870 3.205) 5.503 3.879 ( -2.384 3.599 -0.866) 4.403 3.929 ( -1.689 -1.857 -2.217) 3.349 4.169 ( 6.967 5.789 6.590) 11.202 4.212 ( 4.563 2.107 6.703) 8.378 4.370 ( 0.678 0.479 -3.035) 3.147 4.420 ( -0.157 -3.693 -4.305) 5.674 4.626 ( -2.987 4.920 4.462) 7.282 4.667 ( 0.794 8.087 -3.755) 8.951 4.757 ( 0.615 -2.353 4.573) 5.180 4.881 ( -2.844 3.071 -0.660) 4.237 4.892 ( 3.816 -8.344 -1.993) 9.389 4.955 ( -4.148 -3.883 1.008) 5.770 5.354 ( -8.592 2.170 -2.634) 9.245 5.409 ( -8.075 -2.990 -1.082) 8.678 5.462 ( -0.511 6.315 -0.827) 6.389 5.600 ( -3.326 -6.801 0.633) 7.597 5.668 ( 1.297 6.107 -0.340) 6.253 5.805 ( -2.902 -7.036 -1.403) 7.740 5.985 ( -0.329 0.174 1.561) 1.605 5.996 ( -0.129 -0.883 3.323) 3.441 6.245 ( -0.419 0.310 -0.221) 0.566 6.264 ( -1.249 -1.554 1.541) 2.520 6.713 ( 0.597 5.660 2.772) 6.331 6.785 ( 1.038 -0.693 0.945) 1.565 7.111 ( -0.074 6.401 -0.608) 6.430 7.217 ( 0.382 -3.780 -2.248) 4.414 7.678 ( -1.540 1.667 -0.692) 2.372 7.800 ( 2.786 -9.569 -6.384) 11.835 8.208 ( 0.424 2.910 2.440) 3.821 8.269 ( 0.897 -2.817 0.728) 3.045 8.579 ( -9.434 14.000 8.815) 19.045 8.841 ( -4.427 -7.526 3.272) 9.324 9.011 ( 1.843 6.595 -4.649) 8.276 9.255 ( 5.704 -13.212 -8.732) 16.833 10.528 ( -4.428 7.068 3.430) 9.018 10.639 ( -0.387 -3.811 -2.254) 4.444 11.249 ( 0.348 3.057 -0.917) 3.211 11.304 ( 0.633 -2.461 0.508) 2.592 11.695 ( -0.643 4.244 -0.700) 4.349 11.780 ( -1.015 -4.091 -1.229) 4.391 12.178 ( -5.770 5.740 0.181) 8.141 12.277 ( -3.039 -1.987 -3.186) 4.830 12.451 ( 1.249 3.867 -0.480) 4.092 12.521 ( 0.622 -1.881 -0.552) 2.057 12.607 ( 3.101 0.364 1.112) 3.314 12.692 ( 2.248 -6.089 -2.698) 7.029 13.307 ( 4.097 0.361 4.326) 5.969 13.329 ( 2.659 -1.540 4.515) 5.461 14.744 ( -3.764 9.571 -8.058) 13.065 14.947 ( -3.336 -9.284 -8.485) 13.012 15.078 ( 2.144 4.741 -1.726) 5.482 15.212 ( 4.428 -7.043 -1.380) 8.433 15.819 ( 0.998 5.673 3.161) 6.570 15.934 ( 0.794 -5.521 5.206) 7.629 16.367 ( 0.960 13.850 -12.183) 18.471 16.621 ( -7.454 -8.886 -15.330) 19.223 17.130 ( 8.136 2.325 13.168) 15.652 17.211 ( -2.312 -4.226 16.468) 17.158 18.142 ( 0.229 0.162 0.688) 0.743 18.147 ( 0.202 -0.251 0.838) 0.898 ======================= Grid point 157 (92/111) ======================= q-point: (-0.56 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -2.403 4.472 -0.037) 5.077 1.741 ( -0.090 -3.740 0.369) 3.759 1.924 ( 3.761 8.557 -5.431) 10.810 2.016 ( -7.807 0.784 -5.091) 9.353 2.223 ( -2.013 -0.895 -6.991) 7.330 2.291 ( -3.197 -7.985 -5.146) 10.024 2.614 ( 8.433 3.735 -1.694) 9.378 2.709 ( 1.797 -1.359 0.097) 2.255 2.814 ( -0.414 -0.590 -2.063) 2.185 2.933 ( -3.470 -8.662 1.026) 9.388 3.168 ( 0.380 3.222 0.869) 3.359 3.201 ( 3.425 -0.010 0.190) 3.430 3.274 ( -1.482 2.996 0.032) 3.343 3.382 ( 3.491 -5.934 -4.690) 8.330 3.511 ( 2.660 3.618 0.807) 4.563 3.600 ( 1.038 -4.010 2.206) 4.693 3.681 ( -0.027 3.990 -0.206) 3.995 3.755 ( -2.082 -2.866 -2.443) 4.303 3.901 ( -0.867 5.406 9.213) 10.717 3.975 ( 3.428 -1.327 7.236) 8.116 4.277 ( -2.297 7.027 0.921) 7.450 4.324 ( 0.111 0.612 -1.417) 1.547 4.403 ( 8.264 -0.944 -2.260) 8.619 4.442 ( 2.527 -2.006 8.983) 9.545 4.577 ( -4.367 1.959 -4.145) 6.331 4.627 ( -2.195 -1.815 6.403) 7.008 4.803 ( -2.497 4.500 2.805) 5.861 4.866 ( 0.516 2.802 -1.244) 3.108 4.896 ( -0.387 -1.874 -1.623) 2.509 4.936 ( 2.672 -5.000 -2.347) 6.136 5.092 ( -13.012 2.011 -5.431) 14.243 5.134 ( -13.204 -0.885 -4.802) 14.078 5.517 ( 3.195 1.460 4.033) 5.348 5.588 ( 1.949 -3.787 2.080) 4.739 5.680 ( 0.550 2.510 0.129) 2.573 5.751 ( -1.747 -3.831 -0.483) 4.238 5.972 ( -2.224 0.978 -4.550) 5.158 6.003 ( -0.149 -2.482 -5.592) 6.120 6.343 ( 6.330 -0.282 6.538) 9.104 6.366 ( 6.247 -2.620 7.019) 9.755 6.737 ( -0.191 4.820 1.376) 5.016 6.792 ( -0.617 0.145 -0.413) 0.756 7.076 ( -2.239 5.724 -1.440) 6.313 7.166 ( -1.771 -2.713 -4.084) 5.213 7.646 ( -0.529 2.488 -1.552) 2.980 7.782 ( 4.290 -9.791 -7.394) 12.998 8.247 ( 0.787 2.289 2.395) 3.405 8.295 ( 1.109 -1.972 0.606) 2.342 8.527 ( -8.545 14.122 9.646) 19.117 8.808 ( -4.966 -10.067 5.246) 12.391 8.994 ( 3.671 8.634 -6.534) 11.433 9.252 ( 5.902 -13.470 -9.484) 17.499 10.498 ( -4.035 7.525 4.069) 9.459 10.617 ( 0.302 -4.161 -1.747) 4.523 11.286 ( 3.126 4.044 2.303) 5.606 11.361 ( 3.582 -3.417 2.959) 5.767 11.651 ( -2.137 3.529 -2.718) 4.941 11.727 ( -3.304 -3.812 -2.084) 5.459 12.101 ( -3.863 7.342 0.589) 8.317 12.193 ( -2.343 0.369 -3.451) 4.187 12.475 ( 1.575 0.617 -0.108) 1.695 12.530 ( 2.064 -3.083 -2.323) 4.378 12.659 ( 1.531 -0.313 0.771) 1.742 12.698 ( 1.105 -3.436 -1.463) 3.895 13.376 ( -1.997 1.441 5.667) 6.179 13.421 ( 3.413 -3.090 2.837) 5.408 14.627 ( -0.980 6.274 -6.061) 8.778 14.773 ( -4.079 -8.086 -9.548) 13.160 15.160 ( 5.006 7.989 4.162) 10.305 15.322 ( 6.147 -7.654 3.906) 10.565 15.794 ( -3.678 9.612 -4.138) 11.092 15.968 ( -2.515 -7.733 1.189) 8.218 16.220 ( -4.102 4.235 -7.680) 9.682 16.317 ( -8.458 -4.545 -10.434) 14.180 17.363 ( 1.597 2.767 12.708) 13.103 17.414 ( 9.829 -2.326 7.124) 12.360 18.152 ( 0.011 0.136 0.741) 0.754 18.155 ( -0.222 -0.169 0.771) 0.820 ======================= Grid point 158 (93/111) ======================= q-point: (-0.44 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -5.059 6.112 3.220) 8.562 1.742 ( 0.043 -1.913 -1.009) 2.164 1.795 ( -11.434 4.736 0.049) 12.376 1.932 ( 2.271 0.806 -2.621) 3.560 2.101 ( -5.487 -1.343 -1.969) 5.983 2.243 ( 0.655 -7.348 -3.127) 8.012 2.584 ( -7.992 3.455 -0.808) 8.744 2.717 ( -5.499 -7.687 -0.862) 9.490 2.830 ( 8.453 3.081 -2.575) 9.358 2.961 ( 9.487 -8.834 -4.316) 13.663 3.138 ( -3.780 4.025 1.934) 5.851 3.196 ( -4.010 -2.828 2.254) 5.400 3.330 ( 6.459 4.813 -1.298) 8.159 3.404 ( 3.680 -2.415 -4.883) 6.574 3.566 ( 0.688 3.731 2.446) 4.514 3.635 ( -2.675 -0.549 0.458) 2.769 3.645 ( -2.671 1.883 -2.955) 4.405 3.661 ( -3.536 -0.178 1.988) 4.060 3.974 ( -6.367 5.593 11.500) 14.285 4.066 ( -13.076 -0.670 6.298) 14.529 4.227 ( 4.653 2.933 3.901) 6.744 4.284 ( 0.740 -2.037 -3.864) 4.430 4.397 ( -5.535 -1.027 -4.624) 7.285 4.429 ( -6.227 -1.540 -5.721) 8.595 4.590 ( -1.743 2.371 10.457) 10.863 4.659 ( -3.910 -2.638 3.733) 6.015 4.750 ( -0.648 2.038 -1.093) 2.402 4.779 ( -2.162 0.500 0.455) 2.265 4.919 ( 2.824 2.362 -1.781) 4.090 4.956 ( 5.110 -0.984 -2.267) 5.676 5.040 ( 6.522 1.264 1.623) 6.839 5.077 ( 8.605 -1.143 0.982) 8.736 5.619 ( 1.212 2.135 5.260) 5.805 5.681 ( 0.061 -1.850 1.089) 2.147 5.705 ( 6.029 0.798 3.037) 6.798 5.746 ( 1.893 -2.665 1.859) 3.760 5.850 ( -2.873 0.813 -8.177) 8.705 5.905 ( -0.061 -4.902 -10.186) 11.305 6.480 ( 1.576 0.060 3.093) 3.472 6.502 ( 1.381 -2.460 1.773) 3.332 6.741 ( -1.159 3.432 0.178) 3.627 6.776 ( 1.080 0.540 -0.241) 1.231 7.044 ( 0.229 4.241 0.289) 4.257 7.107 ( 0.456 -1.208 -2.525) 2.836 7.639 ( 2.167 3.665 -2.054) 4.728 7.790 ( 6.528 -9.896 -7.750) 14.164 8.278 ( 0.309 1.652 1.436) 2.211 8.313 ( 0.800 -1.107 -0.432) 1.433 8.510 ( -6.160 13.732 10.032) 18.088 8.794 ( -4.253 -11.262 6.477) 13.670 8.998 ( 5.669 9.462 -7.119) 13.128 9.251 ( 6.164 -12.915 -9.230) 17.028 10.481 ( -3.615 7.925 4.685) 9.891 10.610 ( 0.792 -4.754 -1.274) 4.985 11.379 ( 2.620 3.489 3.592) 5.651 11.418 ( -1.421 -0.303 -0.899) 1.708 11.624 ( 2.925 -1.152 0.509) 3.185 11.636 ( -2.625 -2.108 -2.934) 4.465 12.060 ( -2.758 7.483 1.850) 8.187 12.132 ( -1.304 1.380 -1.937) 2.712 12.491 ( 0.433 0.075 -0.565) 0.715 12.537 ( 2.026 -3.110 -2.510) 4.481 12.668 ( -0.916 -0.698 0.129) 1.159 12.695 ( -0.129 -3.105 -0.840) 3.220 13.381 ( -3.947 4.692 4.850) 7.818 13.490 ( 1.822 -5.929 1.491) 6.379 14.582 ( 0.783 1.224 -2.120) 2.570 14.625 ( -3.063 -2.929 -6.542) 7.795 15.320 ( 5.814 8.661 7.934) 13.106 15.430 ( -0.243 0.060 -0.699) 0.743 15.684 ( -1.431 1.096 0.507) 1.872 15.788 ( -11.626 -7.060 -8.672) 16.131 16.122 ( -1.857 2.034 0.426) 2.787 16.209 ( 0.627 -6.476 -2.559) 6.992 17.479 ( 0.114 7.783 5.588) 9.582 17.605 ( 7.244 -4.679 1.178) 8.704 18.157 ( -0.442 0.113 0.613) 0.764 18.159 ( -0.157 -0.134 0.633) 0.666 ======================= Grid point 159 (94/111) ======================= q-point: (-0.33 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -12.073 9.972 2.274) 15.823 1.697 ( -4.806 -0.415 3.677) 6.065 1.759 ( -0.123 -2.234 4.736) 5.237 1.936 ( -1.808 -9.563 4.336) 10.654 2.048 ( -2.031 8.506 1.433) 8.862 2.201 ( -5.465 -2.455 2.999) 6.699 2.451 ( -5.139 -0.211 -1.822) 5.456 2.604 ( -3.438 -10.884 -3.568) 11.959 2.910 ( 1.056 4.533 -1.297) 4.832 3.013 ( -1.888 -4.736 -0.884) 5.175 3.140 ( 3.282 2.261 -0.651) 4.038 3.196 ( 3.197 -3.328 0.869) 4.696 3.370 ( -4.648 4.255 0.945) 6.372 3.383 ( -1.488 3.075 -0.806) 3.510 3.494 ( -5.150 4.624 2.553) 7.377 3.570 ( -2.868 1.312 -3.895) 5.012 3.616 ( -2.110 1.790 1.732) 3.265 3.661 ( 0.012 -1.583 0.512) 1.664 3.871 ( -10.177 2.562 6.701) 12.451 3.923 ( -11.314 -2.009 9.027) 14.613 4.185 ( -7.906 1.482 -7.554) 11.035 4.236 ( -3.801 -3.159 -9.873) 11.040 4.320 ( 0.897 0.300 0.226) 0.973 4.363 ( 1.443 -3.276 3.626) 5.096 4.642 ( -1.889 3.211 3.396) 5.042 4.694 ( 2.600 0.654 8.765) 9.166 4.763 ( 2.163 0.271 -2.380) 3.227 4.807 ( 2.265 -2.238 2.552) 4.081 4.980 ( 6.851 3.542 -2.297) 8.048 5.047 ( 7.291 -2.530 -1.825) 7.931 5.210 ( 7.566 5.333 5.790) 10.918 5.302 ( 12.906 -2.209 3.755) 13.622 5.613 ( -2.424 2.587 -2.574) 4.381 5.671 ( 0.209 -2.173 -2.638) 3.425 5.738 ( -1.164 -0.359 -4.553) 4.713 5.756 ( -0.622 -1.776 -6.332) 6.606 5.862 ( 6.471 1.259 5.694) 8.711 5.932 ( 7.721 -5.398 3.899) 10.196 6.435 ( -4.336 0.903 -4.312) 6.182 6.462 ( -2.904 -1.160 -3.409) 4.626 6.712 ( -1.739 5.896 0.308) 6.155 6.805 ( 1.006 -2.327 -0.135) 2.539 7.079 ( 1.922 4.253 1.513) 4.906 7.160 ( 5.466 -2.915 0.843) 6.252 7.669 ( 3.902 4.370 -2.134) 6.235 7.825 ( 7.350 -9.687 -7.620) 14.350 8.286 ( -0.463 0.933 0.230) 1.067 8.309 ( 0.257 -0.788 -1.778) 1.962 8.538 ( -3.333 13.196 9.564) 16.635 8.806 ( -2.744 -10.696 6.454) 12.790 9.028 ( 6.604 8.904 -6.456) 12.828 9.258 ( 5.884 -11.517 -8.225) 15.327 10.481 ( -2.703 7.904 5.133) 9.804 10.616 ( 1.421 -5.388 -0.962) 5.654 11.317 ( -4.393 2.754 -4.423) 6.815 11.377 ( -3.676 -2.756 -2.126) 5.062 11.631 ( 3.074 4.954 1.924) 6.140 11.739 ( 4.912 -5.301 2.723) 7.723 12.056 ( -0.536 6.681 3.652) 7.633 12.119 ( 0.497 0.967 1.389) 1.764 12.472 ( -1.826 2.341 -0.672) 3.044 12.551 ( 2.187 -2.616 -1.307) 3.652 12.640 ( -2.478 -1.563 -0.073) 2.931 12.675 ( -0.181 -4.113 -1.719) 4.461 13.347 ( -5.256 7.044 2.617) 9.171 13.498 ( -1.518 -7.687 -1.407) 7.961 14.545 ( -1.160 2.461 -0.780) 2.831 14.612 ( 2.106 -4.247 3.701) 6.014 15.289 ( -4.802 5.459 -8.516) 11.198 15.404 ( -6.288 -5.341 -7.263) 10.991 15.603 ( 0.791 11.124 9.488) 14.642 15.806 ( 1.541 -7.192 10.779) 13.050 16.123 ( -0.215 1.556 2.849) 3.253 16.214 ( 1.934 -8.035 -1.401) 8.383 17.482 ( -1.843 11.279 -1.898) 11.585 17.674 ( 3.525 -7.591 -4.788) 9.642 18.153 ( -0.670 0.227 0.301) 0.768 18.159 ( -0.590 -0.368 0.373) 0.789 ======================= Grid point 160 (95/111) ======================= q-point: (-0.22 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -9.997 10.388 8.892) 16.939 1.620 ( -4.373 -14.863 -0.740) 15.511 1.855 ( -6.512 8.139 15.092) 18.342 1.955 ( -2.240 -3.676 3.575) 5.595 1.993 ( -3.600 6.172 1.191) 7.244 2.154 ( -7.194 -3.639 7.130) 10.763 2.415 ( -0.303 -2.166 4.289) 4.815 2.543 ( 1.357 -10.205 -2.870) 10.687 2.862 ( -2.326 4.130 -2.211) 5.230 2.928 ( -5.395 -1.915 -0.100) 5.725 3.192 ( -0.857 4.142 0.972) 4.340 3.214 ( -3.392 2.561 3.453) 5.476 3.299 ( -3.910 3.147 1.662) 5.287 3.372 ( -0.416 2.250 2.292) 3.239 3.441 ( -3.106 2.301 -1.205) 4.049 3.505 ( -1.515 2.415 4.531) 5.353 3.653 ( 4.576 1.354 -0.691) 4.822 3.696 ( 3.968 -2.486 2.552) 5.333 3.848 ( -6.114 0.561 5.088) 7.974 3.876 ( -2.962 -1.871 6.635) 7.503 3.990 ( -4.810 -1.283 -7.203) 8.757 4.052 ( -3.634 -6.629 -10.178) 12.678 4.331 ( -1.587 0.799 1.378) 2.249 4.385 ( -1.626 -4.581 3.427) 5.948 4.651 ( 0.178 7.726 -0.245) 7.732 4.743 ( -0.283 2.701 -4.202) 5.003 4.822 ( 3.509 -0.517 2.995) 4.643 4.870 ( 2.933 -1.776 1.406) 3.706 5.048 ( 3.440 2.809 -3.598) 5.716 5.121 ( 4.189 -4.069 -3.378) 6.747 5.385 ( 4.018 8.341 6.574) 11.355 5.529 ( 8.002 0.463 0.664) 8.043 5.559 ( 0.204 0.812 -2.108) 2.268 5.644 ( 2.494 -8.744 -3.596) 9.778 5.682 ( 0.538 0.318 -2.775) 2.845 5.717 ( -1.428 -2.507 0.584) 2.944 6.019 ( 6.051 1.649 3.514) 7.190 6.063 ( 3.497 -2.330 0.936) 4.305 6.347 ( 1.140 2.325 -4.397) 5.103 6.388 ( 0.045 -1.319 -2.878) 3.166 6.703 ( -0.175 6.308 1.396) 6.463 6.807 ( 0.419 -2.631 -1.066) 2.870 7.110 ( -0.236 5.681 0.319) 5.695 7.229 ( 1.559 -5.289 -1.146) 5.632 7.709 ( 3.093 4.062 -1.854) 5.432 7.857 ( 5.963 -9.374 -7.420) 13.360 8.270 ( -0.959 0.434 -0.737) 1.285 8.287 ( 0.096 -0.856 -2.620) 2.758 8.596 ( -1.532 12.399 8.305) 15.002 8.837 ( -1.494 -9.147 5.646) 10.853 9.065 ( 5.321 7.547 -5.679) 10.841 9.261 ( 4.357 -9.766 -7.216) 12.901 10.506 ( -1.024 7.587 5.438) 9.391 10.642 ( 2.844 -5.664 -0.534) 6.360 11.226 ( -1.893 3.004 -1.659) 3.919 11.303 ( -1.756 -4.450 -0.878) 4.864 11.700 ( 2.226 5.400 1.201) 5.963 11.799 ( 1.361 -3.756 -0.696) 4.055 12.141 ( 4.300 3.879 5.594) 8.052 12.181 ( 2.800 0.141 4.430) 5.243 12.423 ( -3.359 4.421 0.080) 5.553 12.559 ( -3.924 -7.689 1.279) 8.726 12.609 ( 2.906 2.780 -1.459) 4.279 12.674 ( 3.116 -3.605 -2.390) 5.331 13.255 ( -7.563 6.837 -0.057) 10.195 13.395 ( -7.538 -6.901 -3.915) 10.944 14.588 ( 3.026 6.514 6.113) 9.432 14.738 ( 4.491 -8.257 9.385) 13.283 15.147 ( -1.736 2.586 -7.259) 7.899 15.200 ( -4.760 -2.465 -7.004) 8.820 15.776 ( 2.290 8.389 11.003) 14.024 15.872 ( -3.723 0.581 4.133) 5.593 16.183 ( -0.649 -2.697 8.029) 8.495 16.233 ( 1.911 -7.848 -1.253) 8.174 17.396 ( -2.371 13.261 -6.249) 14.850 17.633 ( 0.499 -10.030 -8.076) 12.887 18.138 ( -1.331 0.227 0.074) 1.353 18.147 ( -1.171 -0.542 0.105) 1.294 ======================= Grid point 161 (96/111) ======================= q-point: (-0.11 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -4.200 6.338 14.494) 16.367 1.574 ( -1.484 -13.577 2.055) 13.811 1.777 ( -13.301 10.086 11.927) 20.516 1.960 ( -3.050 2.043 0.738) 3.744 2.028 ( 2.279 -4.345 3.766) 6.185 2.107 ( -6.552 -6.428 7.518) 11.865 2.499 ( 1.971 1.683 6.833) 7.308 2.611 ( 4.658 -7.555 3.536) 9.554 2.810 ( 0.898 4.812 -5.934) 7.692 2.874 ( 0.702 -1.650 -2.813) 3.336 3.188 ( -1.290 6.502 4.915) 8.252 3.208 ( -0.806 1.242 3.027) 3.370 3.233 ( -3.460 2.930 0.853) 4.614 3.352 ( -2.996 -3.764 1.737) 5.115 3.448 ( 0.820 11.578 0.384) 11.613 3.607 ( 1.530 1.391 11.120) 11.310 3.686 ( 0.349 0.923 -3.535) 3.670 3.740 ( -4.281 -4.843 -0.140) 6.465 3.801 ( -1.948 0.344 2.551) 3.228 3.882 ( -0.628 -1.170 1.741) 2.189 3.907 ( 4.820 -3.818 -8.923) 10.837 3.991 ( 0.527 -8.641 4.075) 9.569 4.311 ( -2.855 1.946 2.679) 4.372 4.405 ( -0.591 -6.112 3.958) 7.305 4.631 ( -0.727 5.059 -2.421) 5.655 4.654 ( -3.221 2.605 -5.605) 6.970 4.868 ( 0.921 5.714 -3.115) 6.572 4.929 ( 2.390 0.337 -0.507) 2.466 5.037 ( 1.735 2.821 -2.138) 3.942 5.124 ( 1.469 -4.941 -2.501) 5.730 5.432 ( -3.746 6.064 1.354) 7.255 5.506 ( -4.631 2.786 -3.707) 6.554 5.550 ( 1.595 0.006 -2.770) 3.196 5.637 ( 0.241 -6.650 -3.602) 7.567 5.692 ( 1.224 -0.175 -2.091) 2.429 5.732 ( -1.676 -7.385 1.461) 7.713 6.139 ( 6.138 2.472 2.792) 7.182 6.176 ( 8.402 -1.243 2.856) 8.961 6.364 ( 4.316 2.981 -0.810) 5.308 6.412 ( 2.815 -1.641 -0.229) 3.266 6.734 ( 2.282 4.678 0.208) 5.209 6.803 ( 1.417 -1.214 -2.771) 3.340 7.068 ( -3.553 5.339 -1.568) 6.602 7.173 ( -4.905 -4.582 -3.183) 7.429 7.725 ( 0.950 2.905 -1.462) 3.388 7.858 ( 3.598 -9.134 -7.140) 12.139 8.244 ( -0.938 0.604 -0.887) 1.426 8.262 ( 0.553 -0.926 -2.637) 2.849 8.654 ( -1.830 11.746 7.136) 13.865 8.873 ( -1.013 -7.626 4.654) 8.992 9.075 ( 2.857 6.056 -5.043) 8.383 9.248 ( 3.186 -9.000 -6.374) 11.479 10.558 ( -0.161 7.564 5.292) 9.233 10.691 ( 3.273 -5.271 -0.519) 6.226 11.224 ( 0.993 3.343 2.142) 4.092 11.311 ( 1.186 -5.189 2.121) 5.730 11.728 ( 1.062 4.083 -0.689) 4.274 11.799 ( 1.543 -2.648 -2.705) 4.088 12.275 ( 2.274 0.681 3.613) 4.323 12.289 ( 6.434 0.119 3.782) 7.464 12.375 ( -2.746 3.338 1.126) 4.467 12.479 ( -5.821 -5.977 1.055) 8.409 12.693 ( 6.921 2.361 0.514) 7.331 12.736 ( 6.832 -1.868 -1.152) 7.176 13.103 ( -9.558 4.304 -1.210) 10.552 13.181 ( -12.678 -3.346 -3.400) 13.546 14.758 ( 6.177 8.149 8.912) 13.564 14.917 ( 3.923 -6.564 5.723) 9.551 15.080 ( 1.674 3.327 -2.956) 4.755 15.160 ( 5.695 -4.998 0.977) 7.640 15.767 ( -9.109 9.141 -0.530) 12.916 15.894 ( 0.179 -2.000 3.109) 3.701 16.225 ( -2.917 -3.705 5.130) 6.968 16.251 ( 1.435 -5.905 -0.610) 6.108 17.301 ( -1.961 13.003 -3.685) 13.657 17.535 ( -2.325 -10.019 -6.709) 12.280 18.116 ( -1.360 0.400 0.278) 1.445 18.127 ( -1.141 -0.637 0.040) 1.307 ======================= Grid point 180 (97/111) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 0.627 0.000 -5.329) 5.366 1.686 ( -0.627 0.000 5.329) 5.366 1.937 ( 1.975 0.000 -9.615) 9.815 1.937 ( -1.975 0.000 9.615) 9.815 2.378 ( 1.338 0.000 -11.984) 12.059 2.378 ( -1.338 0.000 11.984) 12.059 2.689 ( 1.423 0.000 -10.086) 10.186 2.689 ( -1.423 0.000 10.086) 10.186 2.766 ( 8.511 0.000 -8.572) 12.079 2.766 ( -8.511 0.000 8.572) 12.079 3.037 ( 6.051 0.000 -2.536) 6.561 3.037 ( -6.051 0.000 2.536) 6.561 3.337 ( 0.093 0.000 -2.177) 2.179 3.337 ( -0.093 0.000 2.177) 2.179 3.561 ( -2.261 0.000 -8.439) 8.737 3.561 ( 2.261 0.000 8.439) 8.737 3.710 ( 4.846 0.000 -6.854) 8.394 3.710 ( -4.846 0.000 6.854) 8.394 3.898 ( -5.887 0.000 -11.667) 13.068 3.898 ( 5.887 0.000 11.667) 13.068 4.078 ( 2.086 0.000 -9.115) 9.350 4.078 ( -2.086 0.000 9.115) 9.350 4.284 ( -2.140 0.000 -5.988) 6.359 4.284 ( 2.140 0.000 5.988) 6.359 4.460 ( 1.335 0.000 -2.040) 2.438 4.460 ( -1.335 0.000 2.040) 2.438 4.872 ( 0.044 0.000 -1.350) 1.350 4.872 ( -0.044 0.000 1.350) 1.350 4.977 ( -4.973 0.000 -10.599) 11.707 4.977 ( 4.973 0.000 10.599) 11.707 5.220 ( 1.184 0.000 -4.965) 5.104 5.220 ( -1.184 0.000 4.965) 5.104 5.646 ( -2.907 0.000 -0.432) 2.939 5.646 ( 2.907 0.000 0.432) 2.939 5.968 ( -2.969 0.000 -1.375) 3.272 5.968 ( 2.969 0.000 1.375) 3.272 6.230 ( 1.967 0.000 -3.488) 4.004 6.230 ( -1.967 0.000 3.488) 4.004 6.445 ( -1.324 0.000 -6.811) 6.939 6.445 ( 1.324 0.000 6.811) 6.939 6.581 ( -10.582 0.000 -6.488) 12.413 6.581 ( 10.582 0.000 6.488) 12.413 6.984 ( -11.295 0.000 -2.238) 11.514 6.984 ( 11.295 0.000 2.238) 11.514 8.000 ( 5.243 0.000 -6.395) 8.270 8.000 ( -5.243 0.000 6.395) 8.270 8.225 ( 3.966 0.000 -2.564) 4.723 8.225 ( -3.966 0.000 2.564) 4.723 8.486 ( 4.926 0.000 -8.636) 9.942 8.486 ( -4.926 0.000 8.636) 9.942 9.404 ( 4.355 0.000 -5.627) 7.115 9.404 ( -4.355 0.000 5.627) 7.115 10.582 ( 5.502 0.000 -10.080) 11.484 10.582 ( -5.502 0.000 10.080) 11.484 11.305 ( -3.041 0.000 -4.773) 5.660 11.305 ( 3.041 0.000 4.773) 5.660 11.766 ( 7.259 0.000 -6.097) 9.480 11.766 ( -7.259 0.000 6.097) 9.480 12.369 ( 4.870 0.000 -2.620) 5.529 12.369 ( -4.870 0.000 2.620) 5.529 12.599 ( 0.175 0.000 -3.830) 3.833 12.599 ( -0.175 0.000 3.830) 3.833 12.707 ( 4.937 0.000 -2.545) 5.554 12.707 ( -4.937 0.000 2.545) 5.554 12.929 ( -7.173 0.000 1.653) 7.361 12.929 ( 7.173 0.000 -1.653) 7.361 14.839 ( 0.173 0.000 -5.413) 5.416 14.839 ( -0.173 0.000 5.413) 5.416 15.137 ( -7.540 0.000 -8.041) 11.023 15.137 ( 7.540 0.000 8.041) 11.023 15.913 ( 2.695 0.000 -14.696) 14.941 15.913 ( -2.695 0.000 14.696) 14.941 16.359 ( 10.446 0.000 -3.915) 11.155 16.359 ( -10.446 0.000 3.915) 11.155 17.269 ( -4.209 0.000 -15.436) 15.999 17.269 ( 4.209 0.000 15.436) 15.999 18.118 ( 0.174 0.000 -0.785) 0.804 18.118 ( -0.174 0.000 0.785) 0.804 ======================= Grid point 182 (98/111) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -1.451 0.000 -6.249) 6.415 1.725 ( 1.442 0.000 1.941) 2.418 1.894 ( 3.742 0.000 -7.437) 8.326 1.995 ( -0.665 0.000 2.247) 2.343 2.305 ( 6.487 0.000 -10.000) 11.920 2.439 ( -5.670 0.000 5.206) 7.697 2.584 ( 2.971 0.000 -13.331) 13.658 2.771 ( 0.665 0.000 7.290) 7.320 2.775 ( -0.753 0.000 6.822) 6.864 2.870 ( 14.148 0.000 -8.030) 16.268 3.003 ( -3.745 0.000 5.390) 6.563 3.095 ( 0.495 0.000 -1.514) 1.593 3.309 ( 6.235 0.000 -8.519) 10.557 3.311 ( 6.030 0.000 -12.328) 13.723 3.376 ( -6.454 0.000 -5.546) 8.510 3.530 ( -7.342 0.000 4.333) 8.525 3.727 ( -0.334 0.000 -5.451) 5.461 3.777 ( -0.932 0.000 0.738) 1.188 3.822 ( 0.040 0.000 9.695) 9.695 4.001 ( 4.100 0.000 -9.979) 10.789 4.083 ( -5.100 0.000 10.586) 11.750 4.106 ( -0.708 0.000 7.542) 7.575 4.222 ( -3.169 0.000 -0.610) 3.227 4.402 ( 3.682 0.000 0.904) 3.791 4.446 ( 1.630 0.000 -2.637) 3.100 4.494 ( 1.178 0.000 12.260) 12.317 4.753 ( -6.155 0.000 -8.032) 10.119 4.903 ( 0.741 0.000 2.157) 2.281 4.926 ( 7.767 0.000 -6.832) 10.344 5.169 ( 4.492 0.000 9.424) 10.440 5.206 ( 0.603 0.000 -1.492) 1.609 5.297 ( 2.513 0.000 6.910) 7.353 5.571 ( -4.611 0.000 -0.697) 4.663 5.658 ( -2.549 0.000 1.213) 2.823 5.920 ( -0.602 0.000 -1.972) 2.062 6.036 ( 2.807 0.000 1.006) 2.982 6.192 ( -6.039 0.000 0.787) 6.090 6.204 ( -0.095 0.000 -3.727) 3.729 6.290 ( -10.469 0.000 -5.848) 11.992 6.378 ( -4.115 0.000 -3.679) 5.520 6.521 ( -0.034 0.000 5.369) 5.369 6.790 ( -9.072 0.000 -0.882) 9.115 6.796 ( 7.568 0.000 4.671) 8.893 7.178 ( 8.232 0.000 2.461) 8.592 7.983 ( -5.479 0.000 6.709) 8.662 8.019 ( 5.231 0.000 -6.534) 8.369 8.198 ( -3.029 0.000 3.248) 4.441 8.270 ( 3.809 0.000 -1.253) 4.010 8.457 ( 2.444 0.000 -7.777) 8.152 8.476 ( -7.829 0.000 9.345) 12.192 9.399 ( -3.107 0.000 4.950) 5.845 9.419 ( 5.467 0.000 -6.816) 8.738 10.549 ( 4.080 0.000 -10.480) 11.246 10.579 ( -7.619 0.000 9.747) 12.372 11.206 ( -2.675 0.000 -3.934) 4.757 11.387 ( 0.851 0.000 3.550) 3.650 11.699 ( -7.551 0.000 4.574) 8.828 11.811 ( 6.343 0.000 -6.449) 9.046 12.246 ( -9.360 0.000 -1.737) 9.520 12.381 ( 2.227 0.000 -4.495) 5.017 12.470 ( -10.461 0.000 -0.565) 10.476 12.621 ( -4.956 0.000 -0.144) 4.958 12.648 ( 0.692 0.000 5.188) 5.234 12.757 ( 4.880 0.000 -3.759) 6.160 12.974 ( 7.811 0.000 0.697) 7.842 13.140 ( 12.943 0.000 4.358) 13.657 14.710 ( -7.002 0.000 -6.908) 9.836 14.873 ( -1.532 0.000 5.254) 5.472 15.047 ( 5.437 0.000 -5.359) 7.634 15.398 ( 12.732 0.000 6.690) 14.382 15.701 ( -4.765 0.000 -18.247) 18.859 15.871 ( -11.339 0.000 2.277) 11.565 16.356 ( -2.530 0.000 11.897) 12.163 16.568 ( 17.585 0.000 -3.804) 17.992 17.006 ( -8.435 0.000 -13.064) 15.550 17.465 ( -1.053 0.000 16.012) 16.046 18.123 ( 1.045 0.000 -0.346) 1.101 18.133 ( 0.707 0.000 0.869) 1.120 ======================= Grid point 183 (99/111) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 0.288 0.000 -8.485) 8.490 1.797 ( 11.055 0.000 -10.758) 15.426 1.870 ( -4.397 0.000 5.339) 6.916 1.943 ( -4.925 0.000 -1.530) 5.158 2.284 ( -6.245 0.000 -7.974) 10.128 2.401 ( 13.609 0.000 -5.219) 14.575 2.563 ( 1.881 0.000 -1.814) 2.613 2.861 ( 2.464 0.000 4.346) 4.996 2.865 ( 3.046 0.000 2.812) 4.146 2.952 ( -4.360 0.000 -1.767) 4.705 2.998 ( 1.069 0.000 -0.542) 1.199 3.098 ( 13.079 0.000 -6.430) 14.574 3.295 ( 0.819 0.000 1.312) 1.547 3.316 ( 3.126 0.000 -8.993) 9.521 3.362 ( 12.904 0.000 -8.814) 15.627 3.517 ( -0.266 0.000 4.365) 4.373 3.596 ( -1.910 0.000 -12.628) 12.771 3.810 ( -1.022 0.000 7.280) 7.351 3.842 ( -5.788 0.000 3.596) 6.814 3.975 ( -1.128 0.000 -2.153) 2.430 4.037 ( -5.879 0.000 2.020) 6.217 4.152 ( -3.311 0.000 9.564) 10.121 4.184 ( 1.284 0.000 -1.352) 1.864 4.485 ( 4.901 0.000 -1.374) 5.090 4.495 ( 3.314 0.000 4.686) 5.739 4.591 ( -1.133 0.000 -9.747) 9.812 4.673 ( 1.267 0.000 12.841) 12.903 4.912 ( -4.205 0.000 4.128) 5.892 4.975 ( 7.193 0.000 -8.413) 11.068 5.190 ( -1.847 0.000 -0.213) 1.860 5.291 ( -2.046 0.000 5.679) 6.036 5.415 ( 3.959 0.000 3.638) 5.377 5.473 ( -6.726 0.000 -3.263) 7.476 5.615 ( -4.136 0.000 3.165) 5.208 5.890 ( -0.460 0.000 -2.988) 3.023 5.984 ( -8.389 0.000 -2.519) 8.759 6.059 ( -6.044 0.000 -0.402) 6.058 6.151 ( -1.066 0.000 -4.235) 4.367 6.187 ( 0.984 0.000 4.183) 4.297 6.327 ( -0.090 0.000 0.389) 0.399 6.557 ( -0.392 0.000 1.937) 1.976 6.685 ( -4.178 0.000 1.844) 4.567 6.922 ( 3.025 0.000 1.960) 3.605 7.283 ( 1.625 0.000 0.725) 1.779 7.958 ( -5.850 0.000 6.174) 8.506 8.023 ( 4.314 0.000 -7.698) 8.825 8.195 ( -1.910 0.000 3.591) 4.067 8.312 ( 1.347 0.000 -0.093) 1.350 8.410 ( 1.641 0.000 -6.555) 6.757 8.435 ( -8.910 0.000 9.544) 13.057 9.407 ( -2.490 0.000 5.163) 5.732 9.435 ( 5.886 0.000 -8.007) 9.938 10.500 ( 4.158 0.000 -10.983) 11.744 10.546 ( -8.962 0.000 9.975) 13.409 11.147 ( -0.955 0.000 -0.967) 1.359 11.405 ( -1.800 0.000 2.638) 3.193 11.631 ( -4.196 0.000 1.010) 4.316 11.840 ( 5.505 0.000 -6.259) 8.335 12.070 ( -7.519 0.000 -3.598) 8.336 12.247 ( -10.466 0.000 -2.497) 10.760 12.429 ( 3.556 0.000 -0.754) 3.635 12.550 ( -2.026 0.000 -0.817) 2.184 12.737 ( 1.300 0.000 6.277) 6.410 12.770 ( 1.245 0.000 -2.933) 3.187 13.133 ( 12.019 0.000 -3.171) 12.430 13.383 ( 7.026 0.000 8.032) 10.672 14.531 ( -4.928 0.000 -5.609) 7.466 14.915 ( -0.259 0.000 5.544) 5.550 15.159 ( 11.185 0.000 -0.473) 11.195 15.399 ( -8.036 0.000 -17.262) 19.041 15.672 ( -9.976 0.000 -4.593) 10.983 15.677 ( 13.798 0.000 3.692) 14.283 16.437 ( -4.869 0.000 12.545) 13.456 16.676 ( -2.312 0.000 -19.413) 19.550 16.872 ( 11.677 0.000 2.707) 11.987 17.576 ( -5.858 0.000 15.282) 16.366 18.139 ( 0.732 0.000 0.185) 0.755 18.155 ( 0.768 0.000 0.738) 1.065 ======================= Grid point 184 (100/111) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 5.084 0.000 -5.894) 7.783 1.715 ( -0.992 0.000 -11.068) 11.112 1.831 ( -5.796 0.000 -1.679) 6.034 1.974 ( 4.299 0.000 -0.200) 4.303 2.144 ( -0.287 0.000 -2.313) 2.330 2.592 ( 1.412 0.000 3.104) 3.411 2.598 ( 14.510 0.000 -3.501) 14.926 2.781 ( -11.004 0.000 -0.901) 11.041 2.919 ( 0.012 0.000 -1.204) 1.204 2.925 ( 3.927 0.000 0.013) 3.927 3.069 ( -0.303 0.000 8.794) 8.799 3.248 ( 1.008 0.000 -5.462) 5.554 3.293 ( 14.238 0.000 -4.608) 14.965 3.358 ( 0.973 0.000 3.579) 3.709 3.459 ( 1.818 0.000 -9.429) 9.603 3.515 ( 14.977 0.000 -8.913) 17.428 3.531 ( 0.129 0.000 -2.466) 2.469 3.706 ( -9.176 0.000 -3.330) 9.762 3.898 ( 5.073 0.000 3.143) 5.967 3.966 ( 1.635 0.000 3.836) 4.170 4.032 ( 0.245 0.000 2.766) 2.776 4.211 ( 2.355 0.000 -0.685) 2.452 4.214 ( -4.014 0.000 13.984) 14.549 4.469 ( 2.097 0.000 -8.258) 8.520 4.586 ( 1.502 0.000 4.459) 4.705 4.608 ( 9.223 0.000 -3.281) 9.790 4.761 ( -3.459 0.000 2.934) 4.536 4.863 ( -7.436 0.000 8.457) 11.261 4.970 ( 3.102 0.000 -8.285) 8.846 5.130 ( -4.045 0.000 -2.124) 4.569 5.167 ( -13.827 0.000 -2.743) 14.096 5.237 ( -15.700 0.000 -4.367) 16.296 5.497 ( 3.326 0.000 2.397) 4.100 5.623 ( 0.196 0.000 5.098) 5.102 5.831 ( -2.344 0.000 -3.790) 4.456 5.862 ( -3.432 0.000 1.567) 3.773 6.029 ( -4.581 0.000 3.418) 5.716 6.080 ( -0.507 0.000 -6.216) 6.237 6.304 ( 7.010 0.000 5.834) 9.120 6.400 ( 7.519 0.000 0.984) 7.583 6.550 ( -1.391 0.000 -0.396) 1.446 6.691 ( -0.308 0.000 6.814) 6.821 6.934 ( -2.153 0.000 -1.203) 2.467 7.235 ( -5.517 0.000 -3.543) 6.556 7.930 ( -4.852 0.000 5.601) 7.411 7.997 ( 3.167 0.000 -8.447) 9.021 8.201 ( -1.258 0.000 2.047) 2.403 8.290 ( -4.732 0.000 1.975) 5.128 8.384 ( 2.393 0.000 -4.292) 4.914 8.409 ( -4.541 0.000 6.275) 7.746 9.422 ( -3.121 0.000 6.075) 6.830 9.440 ( 5.601 0.000 -8.559) 10.229 10.459 ( 5.636 0.000 -11.412) 12.728 10.503 ( -9.480 0.000 10.717) 14.309 11.163 ( 1.648 0.000 3.105) 3.515 11.437 ( 2.099 0.000 3.824) 4.362 11.564 ( -2.441 0.000 -3.616) 4.363 11.858 ( 4.396 0.000 -5.814) 7.289 11.940 ( -5.149 0.000 -0.509) 5.174 12.045 ( -10.170 0.000 -3.266) 10.681 12.498 ( 4.781 0.000 -0.288) 4.789 12.537 ( 0.917 0.000 -0.443) 1.018 12.752 ( 0.567 0.000 -2.175) 2.248 12.802 ( -1.183 0.000 4.945) 5.085 13.291 ( 12.510 0.000 -5.472) 13.655 13.518 ( -1.855 0.000 8.649) 8.845 14.458 ( 0.792 0.000 -0.779) 1.110 14.981 ( 0.767 0.000 4.276) 4.345 15.082 ( -9.169 0.000 -12.652) 15.625 15.389 ( 12.067 0.000 3.881) 12.676 15.462 ( -6.237 0.000 -6.523) 9.025 15.919 ( 12.456 0.000 -0.614) 12.471 16.393 ( -7.299 0.000 -13.886) 15.687 16.447 ( -8.497 0.000 9.854) 13.012 17.132 ( 16.983 0.000 -2.204) 17.126 17.599 ( -9.844 0.000 13.092) 16.380 18.149 ( 0.324 0.000 0.232) 0.398 18.170 ( 0.172 0.000 0.431) 0.464 ======================= Grid point 185 (101/111) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 5.027 0.000 1.069) 5.139 1.615 ( 1.220 0.000 -7.181) 7.284 1.751 ( 0.026 0.000 -1.237) 1.237 1.856 ( -10.058 0.000 -1.566) 10.179 2.308 ( 15.239 0.000 -0.605) 15.251 2.557 ( -14.180 0.000 -0.466) 14.187 2.674 ( 2.254 0.000 5.611) 6.047 2.746 ( 2.517 0.000 -2.551) 3.584 2.897 ( 6.061 0.000 -5.076) 7.906 2.971 ( -2.704 0.000 2.047) 3.391 3.142 ( -0.053 0.000 8.320) 8.320 3.220 ( 0.009 0.000 -3.145) 3.145 3.366 ( -2.298 0.000 3.368) 4.077 3.400 ( 1.212 0.000 -5.778) 5.904 3.468 ( 4.077 0.000 -1.368) 4.300 3.525 ( 3.023 0.000 -4.591) 5.497 3.561 ( -0.114 0.000 -0.182) 0.215 3.615 ( 2.339 0.000 -2.130) 3.163 3.973 ( 5.082 0.000 -1.590) 5.324 4.030 ( -3.259 0.000 1.640) 3.648 4.214 ( 18.053 0.000 1.814) 18.144 4.247 ( 5.806 0.000 0.274) 5.813 4.282 ( -7.240 0.000 12.189) 14.176 4.484 ( 8.382 0.000 -4.630) 9.576 4.570 ( -11.872 0.000 -4.410) 12.664 4.614 ( -8.761 0.000 0.939) 8.811 4.740 ( 11.079 0.000 -3.752) 11.697 4.882 ( -4.144 0.000 2.938) 5.080 4.915 ( 0.008 0.000 -5.215) 5.215 4.931 ( -8.840 0.000 5.910) 10.634 4.943 ( -11.408 0.000 0.213) 11.410 5.018 ( -3.963 0.000 -5.483) 6.766 5.601 ( 4.628 0.000 4.178) 6.234 5.704 ( 1.166 0.000 -0.799) 1.413 5.748 ( -1.349 0.000 1.676) 2.152 5.835 ( -2.519 0.000 -2.017) 3.227 5.979 ( -5.040 0.000 6.081) 7.899 6.009 ( 1.584 0.000 -8.122) 8.275 6.445 ( 4.960 0.000 0.216) 4.965 6.509 ( -3.005 0.000 -0.212) 3.012 6.603 ( 11.585 0.000 5.280) 12.732 6.823 ( -7.679 0.000 -4.174) 8.740 6.828 ( 5.120 0.000 10.305) 11.507 7.048 ( -8.282 0.000 -8.123) 11.600 7.926 ( -3.184 0.000 6.203) 6.973 7.955 ( 2.555 0.000 -7.691) 8.105 8.204 ( 1.063 0.000 -0.600) 1.221 8.232 ( -4.372 0.000 2.316) 4.948 8.391 ( 2.613 0.000 -2.707) 3.763 8.403 ( -2.728 0.000 3.438) 4.389 9.433 ( -4.215 0.000 7.170) 8.317 9.438 ( 5.029 0.000 -8.153) 9.579 10.446 ( 7.705 0.000 -11.454) 13.805 10.465 ( -9.189 0.000 11.208) 14.493 11.264 ( 3.810 0.000 6.656) 7.669 11.410 ( -3.884 0.000 -7.065) 8.062 11.614 ( 7.410 0.000 5.885) 9.463 11.818 ( -7.314 0.000 -5.776) 9.320 11.881 ( 1.284 0.000 -4.651) 4.825 11.887 ( -3.493 0.000 3.181) 4.725 12.555 ( 1.588 0.000 0.080) 1.590 12.555 ( 1.265 0.000 -0.284) 1.297 12.760 ( 3.102 0.000 -1.737) 3.555 12.800 ( -3.807 0.000 2.813) 4.734 13.425 ( 11.486 0.000 -6.753) 13.325 13.516 ( -8.362 0.000 7.705) 11.370 14.546 ( 6.206 0.000 5.870) 8.542 14.770 ( -8.836 0.000 -11.637) 14.612 15.103 ( 2.239 0.000 8.781) 9.062 15.259 ( -4.399 0.000 -9.815) 10.756 15.691 ( 11.170 0.000 10.716) 15.479 15.960 ( -3.986 0.000 -11.131) 11.823 16.257 ( 6.955 0.000 -4.743) 8.419 16.371 ( -10.795 0.000 6.270) 12.484 17.366 ( 15.898 0.000 -5.628) 16.865 17.529 ( -13.352 0.000 9.510) 16.393 18.158 ( 0.615 0.000 0.138) 0.630 18.169 ( -0.494 0.000 0.064) 0.498 ======================= Grid point 190 (102/111) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 1.036 -0.073 -4.169) 4.297 1.671 ( -1.036 -0.073 4.169) 4.297 1.996 ( 2.240 1.347 -7.746) 8.175 1.996 ( -2.240 1.347 7.746) 8.175 2.170 ( 4.983 -11.296 -18.843) 22.528 2.170 ( -4.983 -11.296 18.843) 22.528 2.708 ( 4.476 -2.261 -8.405) 9.787 2.708 ( -4.476 -2.261 8.405) 9.787 2.811 ( 2.080 1.135 -10.787) 11.044 2.811 ( -2.080 1.135 10.787) 11.044 3.021 ( -7.140 3.721 -1.372) 8.167 3.021 ( 7.140 3.721 1.372) 8.167 3.405 ( 0.146 0.221 -3.800) 3.809 3.405 ( -0.146 0.221 3.800) 3.809 3.551 ( -2.380 1.642 -11.050) 11.422 3.551 ( 2.380 1.642 11.050) 11.422 3.699 ( 2.594 -0.149 -3.541) 4.392 3.699 ( -2.594 -0.149 3.541) 4.392 3.887 ( -5.340 -1.777 -8.255) 9.991 3.887 ( 5.340 -1.777 8.255) 9.991 4.093 ( 1.617 1.494 -10.103) 10.340 4.093 ( -1.617 1.494 10.103) 10.340 4.298 ( -1.390 2.064 -4.574) 5.207 4.298 ( 1.390 2.064 4.574) 5.207 4.522 ( -2.513 4.377 -0.855) 5.119 4.522 ( 2.513 4.377 0.855) 5.119 4.787 ( -2.139 -3.588 -3.818) 5.659 4.787 ( 2.139 -3.588 3.818) 5.659 5.077 ( -2.386 5.824 -8.415) 10.508 5.077 ( 2.386 5.824 8.415) 10.508 5.231 ( -0.116 1.298 -4.924) 5.093 5.231 ( 0.116 1.298 4.924) 5.093 5.645 ( -2.337 -0.331 -0.872) 2.516 5.645 ( 2.337 -0.331 0.872) 2.516 5.819 ( -1.971 -11.435 -2.936) 11.970 5.819 ( 1.971 -11.435 2.936) 11.970 6.267 ( 1.079 0.796 -3.703) 3.938 6.267 ( -1.079 0.796 3.703) 3.938 6.487 ( -1.427 4.552 -6.486) 8.051 6.487 ( 1.427 4.552 6.486) 8.051 6.611 ( -8.711 2.217 -5.888) 10.746 6.611 ( 8.711 2.217 5.888) 10.746 6.996 ( -8.975 1.084 -1.917) 9.242 6.996 ( 8.975 1.084 1.917) 9.242 7.886 ( 4.016 -8.637 -6.275) 11.406 7.886 ( -4.016 -8.637 6.275) 11.406 8.224 ( 3.187 -0.095 -2.062) 3.797 8.224 ( -3.187 -0.095 2.062) 3.797 8.613 ( 4.729 10.237 -8.575) 14.167 8.613 ( -4.729 10.237 8.575) 14.167 9.309 ( 4.259 -8.484 -6.067) 11.267 9.309 ( -4.259 -8.484 6.067) 11.267 10.623 ( 4.257 3.291 -8.039) 9.673 10.623 ( -4.257 3.291 8.039) 9.673 11.326 ( -2.240 1.739 -4.665) 5.459 11.326 ( 2.240 1.739 4.665) 5.459 11.747 ( 4.168 -1.483 -5.143) 6.783 11.747 ( -4.168 -1.483 5.143) 6.783 12.366 ( 1.392 -0.693 -2.197) 2.691 12.366 ( -1.392 -0.693 2.197) 2.692 12.506 ( -5.369 -5.142 -0.254) 7.439 12.506 ( 5.369 -5.142 0.254) 7.439 12.798 ( -5.100 5.256 0.406) 7.335 12.798 ( 5.100 5.256 -0.406) 7.335 12.921 ( -6.378 -0.669 0.857) 6.470 12.921 ( 6.378 -0.669 -0.857) 6.470 14.870 ( 1.285 2.329 -4.740) 5.435 14.870 ( -1.285 2.329 4.740) 5.435 15.199 ( -9.902 6.442 -8.277) 14.425 15.199 ( 9.902 6.442 8.277) 14.425 15.844 ( -1.659 -6.806 -14.231) 15.861 15.844 ( 1.659 -6.806 14.231) 15.861 16.319 ( -6.237 -3.305 1.694) 7.259 16.319 ( 6.237 -3.305 -1.694) 7.259 17.294 ( -3.415 2.108 -12.013) 12.666 17.294 ( 3.415 2.108 12.013) 12.666 18.116 ( 0.140 -0.164 -0.658) 0.692 18.116 ( -0.140 -0.164 0.658) 0.692 ======================= Grid point 192 (103/111) ======================= q-point: ( 0.11 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 0.001 0.043 -6.518) 6.518 1.704 ( -0.383 -1.285 3.183) 3.454 1.938 ( 2.248 4.717 -7.923) 9.491 2.039 ( -1.899 -0.299 2.469) 3.130 2.105 ( 12.717 -14.176 -17.094) 25.591 2.310 ( 1.395 -6.077 9.423) 11.299 2.634 ( -1.100 2.924 -7.782) 8.386 2.722 ( -1.404 -3.404 1.882) 4.135 2.816 ( 6.777 -3.350 -3.670) 8.403 2.902 ( -2.844 -6.187 0.403) 6.821 2.943 ( 2.190 8.828 7.481) 11.777 3.136 ( 3.306 2.627 1.657) 4.536 3.300 ( -4.730 0.339 -7.988) 9.289 3.388 ( 1.879 0.950 -4.541) 5.005 3.437 ( 4.346 6.712 -9.441) 12.372 3.538 ( -5.528 1.109 3.795) 6.797 3.731 ( 1.135 -0.572 -4.216) 4.403 3.760 ( -4.002 -2.229 4.162) 6.189 3.815 ( 1.571 0.581 6.775) 6.979 3.980 ( 1.863 -3.100 -3.763) 5.220 3.999 ( -1.373 -2.165 -5.691) 6.241 4.144 ( -1.789 2.916 3.880) 5.173 4.303 ( 4.211 0.924 2.586) 5.027 4.368 ( -3.335 4.197 3.885) 6.620 4.496 ( 1.846 1.015 3.125) 3.768 4.565 ( 1.717 4.529 0.449) 4.865 4.734 ( -0.811 0.454 -2.068) 2.267 4.871 ( 3.884 -3.118 0.657) 5.024 4.959 ( -2.282 3.948 -2.322) 5.117 5.159 ( -0.713 -1.136 1.852) 2.287 5.255 ( 2.744 4.110 5.291) 7.240 5.338 ( 5.376 3.902 4.859) 8.230 5.570 ( -4.561 -0.600 -1.186) 4.751 5.646 ( -3.534 -1.205 1.733) 4.116 5.785 ( 1.018 -9.453 -1.200) 9.583 5.917 ( 4.454 -10.114 3.234) 11.515 6.187 ( -5.595 0.961 -5.313) 7.775 6.240 ( -4.964 -0.198 -0.980) 5.063 6.344 ( -8.600 3.607 -4.869) 10.520 6.421 ( -3.940 2.802 -2.692) 5.533 6.570 ( -0.312 5.250 5.435) 7.563 6.734 ( -1.294 -0.851 1.918) 2.465 6.912 ( 1.661 6.457 1.682) 6.876 7.167 ( 7.411 -1.325 2.441) 7.914 7.868 ( -1.397 -8.405 0.647) 8.545 7.907 ( 0.993 -8.715 0.056) 8.772 8.202 ( -2.562 0.509 2.958) 3.946 8.259 ( 2.951 -0.981 -1.142) 3.313 8.580 ( 1.210 10.275 -6.007) 11.963 8.613 ( -5.468 10.610 6.782) 13.728 9.308 ( -3.504 -8.154 5.670) 10.532 9.317 ( 5.118 -9.132 -7.084) 12.641 10.587 ( 1.432 3.174 -6.501) 7.375 10.622 ( -4.856 3.267 5.500) 8.032 11.233 ( -2.450 2.487 -4.278) 5.521 11.386 ( -0.394 -0.644 2.547) 2.656 11.684 ( -4.793 -0.441 1.934) 5.187 11.794 ( 4.028 -1.460 -2.739) 5.085 12.295 ( -6.921 4.126 -2.004) 8.303 12.356 ( 1.542 -2.088 -3.124) 4.062 12.418 ( -4.873 -3.857 -0.204) 6.218 12.599 ( 3.151 -3.805 0.342) 4.952 12.656 ( -7.582 2.063 1.549) 8.009 12.754 ( -1.372 -0.542 -2.285) 2.720 13.006 ( 8.193 2.777 1.390) 8.762 13.134 ( 12.299 -0.604 4.027) 12.956 14.773 ( -6.026 5.545 -6.715) 10.591 14.899 ( -0.801 2.290 3.992) 4.671 15.049 ( 2.255 0.659 -5.011) 5.534 15.477 ( 12.179 7.418 7.311) 16.025 15.575 ( -8.764 -9.992 -14.800) 19.892 15.912 ( -3.892 1.481 0.780) 4.236 16.278 ( -3.125 -5.351 7.260) 9.545 16.515 ( 17.335 -5.599 -5.166) 18.935 17.088 ( -8.031 7.195 -7.004) 12.857 17.448 ( -1.726 -1.943 13.893) 14.134 18.121 ( 0.996 -0.134 -0.315) 1.053 18.130 ( 0.755 -0.258 0.715) 1.071 ======================= Grid point 193 (104/111) ======================= q-point: ( 0.22 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 2.534 1.574 -11.223) 11.613 1.765 ( 1.003 -6.709 5.936) 9.014 1.906 ( 3.905 6.185 -6.163) 9.565 1.964 ( -4.313 3.026 -4.695) 7.057 2.221 ( 16.078 -12.978 -9.762) 22.853 2.304 ( -2.883 1.119 -8.793) 9.321 2.606 ( 0.840 0.397 5.000) 5.085 2.715 ( -3.424 -5.066 1.565) 6.312 2.820 ( 2.503 -6.533 -5.014) 8.608 2.946 ( 2.519 -0.577 4.290) 5.008 3.060 ( 6.565 1.607 -1.661) 6.960 3.172 ( -0.060 5.124 3.478) 6.193 3.233 ( 2.938 -1.303 -1.467) 3.533 3.375 ( 2.328 4.966 -5.883) 8.043 3.457 ( 9.313 3.114 -7.184) 12.167 3.528 ( -2.178 1.499 2.674) 3.760 3.624 ( -0.161 3.487 -12.341) 12.825 3.780 ( -4.618 -1.460 5.962) 7.682 3.850 ( -1.046 -2.056 3.546) 4.230 3.949 ( 2.043 -1.637 0.598) 2.686 3.970 ( 1.127 -2.227 -3.511) 4.307 4.148 ( -1.421 1.396 3.237) 3.801 4.303 ( -2.308 4.109 -1.662) 4.997 4.429 ( 3.149 1.381 6.343) 7.215 4.545 ( -0.754 -1.932 -4.997) 5.410 4.602 ( 3.538 4.173 2.583) 6.050 4.750 ( 0.998 5.931 5.886) 8.416 4.914 ( 3.247 -4.993 -3.774) 7.050 4.933 ( -3.475 1.832 3.130) 5.023 5.144 ( -3.155 -3.682 1.443) 5.060 5.341 ( -0.799 4.351 3.634) 5.725 5.460 ( -3.289 0.141 -0.852) 3.401 5.474 ( 1.490 3.335 0.322) 3.667 5.602 ( -4.894 -0.714 3.119) 5.847 5.787 ( -0.246 -6.990 -1.051) 7.072 5.971 ( -4.028 -7.729 -4.683) 9.894 6.047 ( -0.505 0.352 2.023) 2.114 6.065 ( -8.299 -0.371 -2.013) 8.548 6.243 ( -1.380 1.909 0.268) 2.371 6.370 ( -2.509 0.705 1.995) 3.282 6.595 ( -0.575 5.080 0.976) 5.205 6.717 ( -1.101 3.027 1.804) 3.692 6.986 ( 2.185 5.415 1.674) 6.075 7.263 ( 1.264 -2.108 1.056) 2.675 7.847 ( -1.638 -8.054 -0.079) 8.220 7.909 ( -0.936 -8.820 -0.088) 8.870 8.208 ( -1.154 0.984 3.739) 4.034 8.292 ( 1.815 -1.644 -0.409) 2.483 8.530 ( 0.504 10.412 -5.492) 11.782 8.580 ( -7.028 11.066 6.607) 14.680 9.313 ( -3.173 -8.719 5.321) 10.696 9.324 ( 5.088 -9.655 -7.456) 13.217 10.540 ( 1.938 3.254 -6.975) 7.937 10.586 ( -6.224 3.035 5.422) 8.795 11.172 ( -0.693 2.391 -1.608) 2.964 11.376 ( -1.955 -2.859 1.321) 3.707 11.640 ( -2.192 1.811 0.088) 2.845 11.823 ( 2.531 -1.509 -1.915) 3.515 12.150 ( -5.400 6.131 -4.869) 9.511 12.258 ( -8.041 1.182 -3.366) 8.797 12.404 ( 3.359 -1.721 -0.288) 3.786 12.558 ( -3.090 0.703 0.120) 3.171 12.682 ( 0.691 -4.543 4.874) 6.699 12.738 ( 2.139 -3.581 -3.063) 5.175 13.162 ( 9.940 2.749 -0.891) 10.352 13.360 ( 6.948 -2.116 6.922) 10.033 14.591 ( -5.183 5.705 -6.574) 10.130 14.940 ( 0.337 2.181 4.517) 5.028 15.110 ( 6.128 -4.600 -2.352) 8.015 15.286 ( -5.660 -8.006 -11.885) 15.407 15.719 ( 4.006 5.021 4.241) 7.697 15.810 ( 1.851 9.141 -6.998) 11.660 16.311 ( -3.810 -8.378 7.717) 12.011 16.630 ( 5.815 -6.568 -18.594) 20.560 16.996 ( 2.252 10.786 7.264) 13.198 17.540 ( -5.346 -3.714 14.378) 15.783 18.137 ( 0.848 -0.109 0.132) 0.865 18.151 ( 0.821 -0.319 0.633) 1.085 ======================= Grid point 194 (105/111) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 6.361 2.240 -7.362) 9.984 1.761 ( -1.875 2.230 -5.555) 6.273 1.824 ( -6.070 -0.139 -0.608) 6.102 2.016 ( 9.934 3.230 -0.788) 10.475 2.119 ( -4.880 -0.353 -7.929) 9.318 2.387 ( 12.229 -10.346 -6.335) 17.225 2.624 ( -5.172 -11.334 1.733) 12.578 2.716 ( 3.638 1.230 2.916) 4.822 2.849 ( 1.839 -3.360 -0.084) 3.831 2.974 ( -0.684 5.724 1.674) 6.003 3.160 ( 4.257 -6.184 -0.226) 7.511 3.213 ( -0.516 6.020 2.666) 6.605 3.293 ( 2.829 -3.963 -0.765) 4.929 3.360 ( 1.940 6.122 -0.933) 6.489 3.417 ( -2.299 -3.545 -4.199) 5.957 3.555 ( 1.790 2.290 -4.625) 5.463 3.597 ( 9.589 3.988 -5.824) 11.907 3.710 ( -1.920 1.515 -2.891) 3.787 3.934 ( 6.563 3.203 -2.249) 7.641 3.973 ( 3.716 1.234 3.758) 5.427 4.067 ( 4.851 -2.127 6.385) 8.297 4.166 ( -1.301 2.835 3.871) 4.971 4.289 ( 1.568 2.165 0.658) 2.753 4.460 ( -0.164 0.779 -6.622) 6.670 4.542 ( 1.907 -1.117 6.216) 6.598 4.686 ( 6.188 4.034 -1.807) 7.604 4.816 ( -1.719 4.434 2.743) 5.490 4.873 ( -7.981 0.839 5.805) 9.904 4.900 ( 0.727 -5.666 -5.479) 7.916 5.073 ( -6.842 -3.459 0.013) 7.667 5.226 ( -10.912 2.970 -7.034) 13.318 5.269 ( -13.620 3.579 -0.595) 14.095 5.534 ( 2.574 2.991 0.671) 4.003 5.592 ( -0.724 -2.446 5.992) 6.512 5.759 ( -1.694 -5.381 1.322) 5.794 5.849 ( -2.663 -3.276 -2.678) 4.999 5.982 ( -2.311 -2.741 -3.905) 5.301 6.058 ( -2.959 -1.279 -0.289) 3.237 6.311 ( 6.265 -0.276 5.902) 8.612 6.409 ( 3.713 -0.996 3.643) 5.296 6.596 ( 1.013 5.702 -0.560) 5.818 6.730 ( -0.896 3.673 3.145) 4.918 6.996 ( -1.658 5.231 -0.317) 5.497 7.220 ( -5.137 -1.508 -2.700) 5.996 7.817 ( -0.771 -8.149 -1.294) 8.287 7.875 ( -2.986 -9.000 0.326) 9.488 8.237 ( -0.119 1.768 3.186) 3.646 8.303 ( 0.133 -0.591 -0.501) 0.786 8.488 ( 1.247 10.032 -4.663) 11.133 8.531 ( -6.573 10.672 5.663) 13.754 9.314 ( -1.573 -10.278 2.175) 10.623 9.324 ( 2.454 -9.883 -4.124) 10.987 10.507 ( 3.824 3.771 -7.933) 9.580 10.543 ( -6.680 3.038 6.759) 9.977 11.187 ( 2.141 2.387 2.406) 4.009 11.398 ( 2.382 -3.182 2.743) 4.830 11.591 ( -2.167 2.870 -2.816) 4.568 11.832 ( -0.462 -2.242 -0.379) 2.321 12.026 ( -2.615 6.322 -5.444) 8.743 12.089 ( -7.185 4.597 -3.006) 9.044 12.472 ( 4.404 -2.093 0.025) 4.876 12.535 ( -0.206 -0.172 0.247) 0.365 12.713 ( 0.402 -3.390 0.087) 3.415 12.760 ( 0.618 -4.325 1.497) 4.618 13.308 ( 10.132 1.789 -3.013) 10.721 13.491 ( -0.771 -2.444 7.494) 7.920 14.496 ( -0.123 3.657 -2.202) 4.271 14.935 ( -5.340 -8.202 -11.044) 14.757 15.040 ( 0.162 2.400 5.096) 5.635 15.362 ( 10.588 -4.098 5.419) 12.581 15.580 ( -6.123 10.470 -9.270) 15.266 15.952 ( 9.785 2.739 -1.924) 10.342 16.297 ( -5.304 -6.972 2.186) 9.028 16.417 ( -6.482 -4.362 -11.162) 13.624 17.210 ( 12.261 6.885 3.357) 14.457 17.579 ( -7.719 -2.173 12.754) 15.066 18.149 ( 0.444 0.072 0.244) 0.512 18.167 ( 0.257 -0.285 0.398) 0.553 ======================= Grid point 195 (106/111) ======================= q-point: ( 0.44 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 5.530 2.135 0.649) 5.963 1.659 ( -1.058 4.054 -6.526) 7.755 1.776 ( 1.805 2.384 -0.753) 3.084 1.893 ( -10.184 2.957 -1.999) 10.792 2.246 ( 11.944 -5.833 0.633) 13.307 2.413 ( -3.871 -10.971 -3.748) 12.223 2.618 ( 4.837 -4.102 0.443) 6.357 2.729 ( -7.723 0.186 2.709) 8.187 2.917 ( 7.982 -6.563 1.379) 10.425 3.015 ( 4.606 4.713 -4.420) 7.935 3.128 ( -4.585 -5.646 -0.730) 7.309 3.155 ( -8.565 3.360 5.030) 10.485 3.333 ( 2.370 -3.811 0.626) 4.531 3.377 ( 0.265 -2.612 -3.602) 4.457 3.452 ( 6.514 4.221 2.468) 8.145 3.574 ( -2.788 3.477 -3.218) 5.497 3.594 ( 4.577 2.570 -0.698) 5.296 3.679 ( -2.283 3.001 -1.536) 4.072 4.023 ( 6.584 4.329 1.850) 8.094 4.119 ( 0.789 4.946 -4.332) 6.622 4.219 ( 1.834 -2.091 7.688) 8.175 4.237 ( 16.232 2.061 3.405) 16.712 4.326 ( -3.118 3.673 1.211) 4.968 4.416 ( 2.962 -3.843 -5.771) 7.540 4.605 ( -3.859 1.066 5.913) 7.141 4.665 ( -6.610 5.332 -6.055) 10.430 4.773 ( 6.965 2.083 -6.905) 10.027 4.838 ( -4.690 -2.698 2.022) 5.776 4.880 ( 0.981 -1.208 1.265) 2.005 4.922 ( -9.739 -1.385 1.811) 10.002 4.993 ( -6.951 3.157 0.563) 7.655 5.057 ( -7.746 3.049 -3.354) 8.975 5.613 ( 4.106 1.170 3.125) 5.291 5.688 ( 3.184 -1.697 2.591) 4.442 5.724 ( -2.705 -1.809 1.653) 3.651 5.824 ( -2.188 -1.304 -0.827) 2.678 5.890 ( -0.617 -6.585 -2.143) 6.952 5.960 ( -3.957 -4.299 -4.353) 7.286 6.490 ( 4.006 -0.040 4.809) 6.259 6.507 ( 3.823 0.771 -0.157) 3.903 6.641 ( 5.145 3.992 1.496) 6.682 6.739 ( -3.116 -0.362 1.925) 3.681 6.960 ( -0.946 6.302 1.970) 6.670 7.065 ( -6.326 1.391 -6.003) 8.831 7.805 ( 1.408 -8.683 -1.656) 8.951 7.829 ( -3.180 -9.053 1.138) 9.663 8.266 ( 0.584 2.562 1.547) 3.049 8.290 ( -0.828 1.730 -0.652) 2.026 8.475 ( 2.820 9.171 -4.057) 10.417 8.492 ( -4.640 9.447 4.513) 11.452 9.312 ( -0.501 -10.958 0.926) 11.008 9.318 ( 0.641 -10.616 -1.732) 10.776 10.498 ( 5.618 4.026 -8.350) 10.840 10.512 ( -6.585 3.611 7.945) 10.933 11.288 ( 4.184 2.390 5.713) 7.474 11.417 ( -2.707 0.652 -4.820) 5.566 11.596 ( 5.508 -1.040 3.953) 6.859 11.759 ( -6.712 -3.788 -3.238) 8.359 11.962 ( 0.842 6.763 -2.501) 7.259 11.986 ( -2.830 7.285 -0.899) 7.866 12.529 ( 2.019 -2.296 0.071) 3.058 12.541 ( 0.207 -1.345 0.101) 1.364 12.730 ( 2.451 -2.690 -0.953) 3.762 12.762 ( -2.377 -3.605 1.583) 4.599 13.428 ( 9.264 0.334 -4.890) 10.481 13.502 ( -6.565 -1.318 6.424) 9.279 14.543 ( 4.341 0.008 4.068) 5.949 14.710 ( -6.335 -4.852 -9.540) 12.437 15.162 ( 3.866 5.463 8.909) 11.143 15.349 ( -6.077 7.186 -9.696) 13.512 15.661 ( 11.667 -2.527 9.999) 15.572 15.944 ( -5.139 -1.934 -11.810) 13.025 16.219 ( 3.860 -3.246 -3.888) 6.368 16.287 ( -7.233 -7.070 3.690) 10.766 17.422 ( 12.187 4.678 -2.626) 13.316 17.548 ( -10.128 1.401 8.444) 13.261 18.159 ( 0.523 0.080 0.138) 0.547 18.168 ( -0.366 -0.126 0.078) 0.395 ======================= Grid point 200 (107/111) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -3.891 2.790 -5.117) 7.007 1.703 ( 3.891 2.790 5.117) 7.007 1.840 ( 1.179 -8.538 -12.598) 15.264 1.840 ( -1.179 -8.538 12.598) 15.264 2.146 ( 0.420 1.701 -4.916) 5.219 2.146 ( -0.420 1.701 4.916) 5.219 2.668 ( 1.948 -1.001 -2.509) 3.331 2.668 ( -1.948 -1.001 2.509) 3.331 2.771 ( 0.420 -2.167 -4.477) 4.992 2.771 ( -0.420 -2.167 4.477) 4.992 3.171 ( 4.814 8.307 -2.833) 10.010 3.171 ( -4.814 8.307 2.833) 10.010 3.320 ( 2.448 -6.399 -3.455) 7.673 3.320 ( -2.448 -6.399 3.455) 7.673 3.590 ( -0.899 1.297 -3.080) 3.460 3.590 ( 0.899 1.297 3.080) 3.461 3.697 ( 3.342 -1.439 -5.526) 6.617 3.697 ( -3.342 -1.439 5.526) 6.617 3.874 ( -1.202 1.303 -1.687) 2.447 3.874 ( 1.202 1.303 1.687) 2.447 4.097 ( 0.729 -0.927 -7.528) 7.619 4.097 ( -0.729 -0.927 7.528) 7.619 4.387 ( -2.147 6.099 -4.612) 7.942 4.387 ( 2.147 6.099 4.612) 7.942 4.516 ( -1.540 -4.906 -2.822) 5.865 4.516 ( 1.540 -4.906 2.822) 5.865 4.821 ( 0.500 4.500 -3.462) 5.700 4.821 ( -0.500 4.500 3.462) 5.700 5.168 ( -2.485 3.152 -6.235) 7.415 5.168 ( 2.485 3.152 6.235) 7.415 5.270 ( -2.830 1.764 -4.484) 5.588 5.270 ( 2.830 1.764 4.484) 5.588 5.568 ( -1.550 -7.769 -1.530) 8.068 5.568 ( 1.550 -7.769 1.530) 8.068 5.659 ( -1.101 -1.375 -0.651) 1.878 5.659 ( 1.101 -1.375 0.651) 1.878 6.257 ( 0.394 -0.738 -1.630) 1.832 6.257 ( -0.394 -0.738 1.630) 1.832 6.588 ( -2.875 4.069 -6.646) 8.306 6.588 ( 2.875 4.069 6.646) 8.306 6.640 ( -5.178 0.106 -5.580) 7.613 6.640 ( 5.178 0.106 5.580) 7.613 7.019 ( -3.267 0.866 -0.675) 3.447 7.019 ( 3.267 0.866 0.675) 3.447 7.738 ( 1.620 -4.566 -2.951) 5.673 7.738 ( -1.620 -4.566 2.951) 5.673 8.223 ( 1.212 -0.040 -0.830) 1.470 8.223 ( -1.212 -0.040 0.830) 1.470 8.832 ( 3.829 10.327 -7.108) 13.108 8.832 ( -3.829 10.327 7.108) 13.108 9.109 ( 3.638 -10.025 -6.115) 12.293 9.109 ( -3.638 -10.025 6.115) 12.293 10.680 ( 1.485 1.748 -3.035) 3.804 10.680 ( -1.485 1.748 3.035) 3.804 11.354 ( -0.733 0.669 -2.160) 2.377 11.354 ( 0.733 0.669 2.160) 2.377 11.728 ( 0.940 -0.280 -2.031) 2.255 11.728 ( -0.940 -0.280 2.031) 2.255 12.333 ( -0.621 -1.773 -1.136) 2.195 12.333 ( 0.621 -1.773 1.136) 2.195 12.448 ( -4.252 -0.874 0.570) 4.378 12.448 ( 4.252 -0.874 -0.570) 4.378 12.876 ( -5.553 2.229 -0.689) 6.024 12.876 ( 5.553 2.229 0.689) 6.024 12.907 ( -6.147 -0.612 -0.400) 6.190 12.907 ( 6.147 -0.612 0.400) 6.190 14.905 ( 1.081 0.907 -1.903) 2.369 14.905 ( -1.081 0.907 1.903) 2.369 15.390 ( -10.870 11.488 -9.666) 18.536 15.390 ( 10.870 11.488 9.666) 18.536 15.653 ( -7.860 -11.318 -12.173) 18.386 15.653 ( 7.860 -11.318 12.173) 18.386 16.261 ( -3.076 -1.789 0.557) 3.602 16.261 ( 3.076 -1.789 -0.557) 3.602 17.332 ( -1.309 1.169 -4.360) 4.700 17.332 ( 1.309 1.169 4.360) 4.700 18.113 ( 0.052 -0.105 -0.267) 0.291 18.113 ( -0.052 -0.105 0.267) 0.291 ======================= Grid point 202 (108/111) ======================= q-point: ( 0.11 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 0.778 1.499 -6.608) 6.821 1.708 ( 0.358 -4.521 -11.293) 12.170 1.845 ( 7.513 -1.262 1.720) 7.810 1.931 ( -1.363 -5.014 6.702) 8.480 2.131 ( 6.939 6.240 -8.628) 12.709 2.234 ( 7.522 -3.615 -1.648) 8.507 2.669 ( -0.408 -1.034 -4.589) 4.722 2.696 ( -0.273 3.553 0.774) 3.646 2.710 ( 2.885 -5.069 -6.613) 8.818 2.782 ( -0.855 -4.943 2.694) 5.694 3.144 ( -3.902 9.627 7.841) 13.015 3.207 ( -0.170 3.306 -1.283) 3.551 3.283 ( -1.386 -1.560 -3.008) 3.661 3.334 ( 0.006 -5.913 3.197) 6.722 3.533 ( -1.518 3.255 1.501) 3.893 3.578 ( 1.114 0.603 -3.421) 3.648 3.681 ( -4.230 -2.500 5.215) 7.165 3.695 ( -2.051 -2.176 2.355) 3.806 3.889 ( 3.697 2.964 -3.038) 5.629 3.936 ( 3.019 -1.941 -3.370) 4.923 4.004 ( 2.494 4.773 -12.373) 13.494 4.130 ( 1.128 -4.858 -2.760) 5.700 4.345 ( 0.818 4.635 -0.729) 4.763 4.457 ( -2.381 -3.710 -1.120) 4.548 4.500 ( 4.225 4.582 5.403) 8.248 4.585 ( 3.526 -1.624 2.397) 4.562 4.804 ( -1.668 5.241 2.715) 6.133 4.865 ( -0.800 0.879 3.744) 3.928 5.032 ( -4.687 3.322 -2.700) 6.348 5.110 ( -4.734 -3.983 -1.180) 6.299 5.370 ( 5.165 7.387 6.222) 10.953 5.423 ( 5.964 3.412 4.854) 8.412 5.521 ( -3.088 -3.207 0.236) 4.458 5.589 ( -0.590 -7.138 1.729) 7.368 5.658 ( 0.382 -0.526 1.596) 1.723 5.723 ( 4.276 -6.786 1.388) 8.140 6.198 ( -5.451 0.475 -2.979) 6.230 6.219 ( -5.782 -1.445 -0.851) 6.020 6.406 ( -8.410 2.666 -4.988) 10.135 6.443 ( -7.103 -0.642 -4.541) 8.455 6.691 ( 0.164 5.104 5.249) 7.323 6.739 ( 0.742 0.101 3.012) 3.104 7.034 ( 3.637 5.294 1.219) 6.538 7.120 ( 5.621 -3.303 1.614) 6.717 7.732 ( 0.124 -3.661 -0.612) 3.714 7.752 ( -0.520 -5.319 1.853) 5.656 8.217 ( -0.972 0.893 1.636) 2.102 8.237 ( 1.118 -1.091 -0.131) 1.568 8.805 ( 1.794 10.967 -6.075) 12.665 8.834 ( -4.223 9.945 5.496) 12.123 9.102 ( 2.624 -10.367 -4.819) 11.729 9.116 ( -2.994 -9.885 5.077) 11.509 10.649 ( -1.036 2.451 -2.612) 3.729 10.669 ( -2.538 0.763 0.951) 2.816 11.292 ( -2.081 2.997 -3.691) 5.190 11.349 ( -1.832 -2.687 -0.931) 3.383 11.709 ( -1.130 2.481 1.156) 2.961 11.758 ( 1.492 -2.123 0.282) 2.610 12.317 ( -0.249 -0.765 -0.843) 1.165 12.336 ( -3.195 -2.296 -0.350) 3.950 12.406 ( 1.570 4.714 -1.714) 5.256 12.507 ( 4.460 -4.972 -1.647) 6.879 12.696 ( -9.976 1.879 0.278) 10.155 12.732 ( -7.451 -1.571 -0.971) 7.676 13.067 ( 9.043 2.877 2.363) 9.779 13.113 ( 10.616 -1.623 3.241) 11.218 14.882 ( -1.691 4.137 -2.661) 5.202 14.929 ( 1.805 -0.408 -0.089) 1.853 15.125 ( -7.123 8.104 -7.374) 13.068 15.342 ( -10.024 -12.110 -11.817) 19.666 15.672 ( 9.035 10.675 7.686) 15.958 15.862 ( 3.703 -6.952 6.345) 10.115 16.241 ( 1.634 2.879 -2.077) 3.908 16.365 ( 11.876 -8.095 -5.806) 15.501 17.248 ( -5.885 7.762 1.441) 9.847 17.379 ( -3.496 -5.011 8.524) 10.488 18.120 ( 0.912 0.056 -0.087) 0.918 18.124 ( 0.837 -0.295 0.335) 0.949 ======================= Grid point 203 (109/111) ======================= q-point: ( 0.22 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 5.382 2.530 -10.728) 12.266 1.650 ( 3.674 -4.795 -4.363) 7.451 1.937 ( -2.190 0.065 1.987) 2.957 1.971 ( 3.806 -4.648 1.203) 6.126 2.184 ( 12.023 9.366 -11.178) 18.901 2.305 ( 3.936 -1.666 -6.639) 7.896 2.533 ( -4.944 -2.819 -3.890) 6.894 2.600 ( -0.182 -8.772 -11.572) 14.522 2.785 ( 4.125 3.852 4.576) 7.266 2.877 ( 5.190 -4.827 4.841) 8.583 3.149 ( -3.627 4.647 2.030) 6.235 3.189 ( -1.126 0.370 3.353) 3.556 3.291 ( 2.963 3.057 0.892) 4.350 3.369 ( -0.012 -4.481 2.118) 4.957 3.523 ( -1.946 5.901 0.138) 6.215 3.608 ( 3.330 2.275 -1.987) 4.496 3.642 ( -4.326 -0.728 0.357) 4.401 3.729 ( 1.056 -6.887 3.977) 8.022 3.833 ( 0.753 4.721 -4.603) 6.637 3.911 ( 1.991 -3.280 -2.636) 4.656 4.009 ( 8.407 5.943 -8.253) 13.195 4.128 ( 5.836 -4.506 -6.859) 10.070 4.354 ( -0.036 3.135 0.131) 3.138 4.429 ( -0.463 -3.694 0.789) 3.806 4.595 ( 0.756 6.662 2.585) 7.186 4.687 ( 5.468 1.760 1.654) 5.978 4.799 ( -3.763 -0.334 3.743) 5.319 4.855 ( -2.526 -0.378 1.768) 3.106 4.978 ( -3.205 2.298 2.675) 4.765 5.048 ( -4.107 -5.222 2.724) 7.180 5.456 ( -1.786 4.493 -0.365) 4.849 5.468 ( -2.856 3.884 3.174) 5.772 5.517 ( -1.885 -0.312 2.958) 3.521 5.621 ( 1.254 -1.658 -0.328) 2.104 5.663 ( -1.341 -0.722 0.459) 1.591 5.787 ( 1.642 -8.614 -2.694) 9.173 6.055 ( -6.015 0.142 -0.438) 6.033 6.063 ( -6.246 -0.271 -0.987) 6.329 6.282 ( -3.758 2.288 0.705) 4.456 6.336 ( -4.576 -2.814 1.708) 5.637 6.726 ( 0.477 5.738 0.824) 5.816 6.772 ( 0.747 1.192 1.602) 2.132 7.101 ( 1.823 5.428 1.001) 5.813 7.197 ( 1.283 -4.206 0.973) 4.504 7.719 ( -0.695 -3.154 -1.240) 3.460 7.749 ( -2.487 -5.734 1.992) 6.560 8.230 ( -0.117 1.225 2.535) 2.817 8.258 ( 1.135 -1.581 0.521) 2.015 8.765 ( 1.461 11.727 -6.203) 13.347 8.811 ( -5.451 10.179 5.184) 12.657 9.089 ( 1.830 -10.907 -4.637) 11.992 9.115 ( -3.694 -10.507 4.827) 12.138 10.602 ( -0.741 2.443 -2.800) 3.789 10.626 ( -2.989 0.365 0.230) 3.020 11.234 ( -0.341 3.529 -2.076) 4.109 11.306 ( -0.932 -3.631 -0.821) 3.837 11.706 ( -0.839 4.037 0.461) 4.149 11.779 ( 0.388 -2.966 0.471) 3.028 12.242 ( -4.304 2.616 -3.595) 6.188 12.277 ( -2.087 -0.655 -4.197) 4.733 12.427 ( 1.957 5.484 -0.554) 5.849 12.565 ( -0.281 -6.092 1.182) 6.212 12.584 ( -1.372 1.215 1.025) 2.100 12.648 ( -1.560 -4.414 -0.587) 4.718 13.231 ( 7.659 3.782 2.113) 8.799 13.304 ( 6.923 -3.344 4.613) 8.966 14.744 ( -5.471 8.951 -8.227) 13.331 14.922 ( -2.274 -7.195 -6.029) 9.659 15.052 ( 0.260 2.429 0.599) 2.516 15.144 ( 0.777 -5.827 -2.780) 6.503 15.840 ( 1.905 6.379 4.556) 8.067 15.934 ( 2.913 -0.311 -0.627) 2.996 16.239 ( 1.500 4.677 -4.439) 6.620 16.436 ( 6.915 -11.511 -14.425) 19.708 17.228 ( -2.113 11.179 9.776) 15.000 17.423 ( -4.038 -7.895 12.201) 15.084 18.137 ( 0.967 0.171 0.180) 0.999 18.143 ( 0.928 -0.415 0.400) 1.092 ======================= Grid point 204 (110/111) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 6.804 5.472 -6.496) 10.883 1.705 ( 4.750 -6.368 -0.532) 7.963 1.879 ( -3.532 5.333 -2.958) 7.047 2.013 ( 1.923 -6.665 -2.593) 7.406 2.170 ( -1.096 6.749 -10.483) 12.515 2.289 ( 2.786 -1.861 -5.038) 6.050 2.453 ( 2.398 -1.377 -1.509) 3.150 2.594 ( 7.809 -10.169 -3.186) 13.211 2.878 ( -0.522 4.586 2.811) 5.404 3.000 ( 1.907 -7.099 2.500) 7.764 3.103 ( -1.162 5.036 0.082) 5.169 3.194 ( -1.182 -4.267 0.680) 4.480 3.332 ( -1.539 3.129 2.430) 4.250 3.361 ( -2.123 -1.011 1.341) 2.707 3.499 ( 0.345 6.683 0.755) 6.734 3.588 ( 0.991 -0.673 -1.798) 2.161 3.649 ( 2.872 2.395 -1.934) 4.210 3.709 ( 2.017 -2.902 -4.586) 5.790 3.967 ( 3.668 0.145 9.096) 9.809 3.975 ( 4.373 -0.980 6.774) 8.123 4.083 ( 13.920 5.628 -11.237) 18.754 4.186 ( 10.475 -3.821 -6.081) 12.700 4.348 ( -1.394 5.250 -0.301) 5.440 4.435 ( 0.847 -3.370 -2.325) 4.181 4.612 ( -1.360 6.419 5.005) 8.253 4.754 ( -0.437 -6.500 -1.025) 6.595 4.770 ( 0.511 3.734 1.111) 3.929 4.850 ( -0.243 -1.951 0.108) 1.969 4.931 ( -5.967 3.488 1.478) 7.068 5.000 ( -6.202 -3.701 2.475) 7.635 5.303 ( -13.467 5.107 -2.680) 14.650 5.350 ( -13.275 2.548 -2.626) 13.771 5.524 ( 0.700 -1.233 6.063) 6.226 5.584 ( -0.437 -3.638 0.019) 3.665 5.674 ( 1.003 1.168 1.466) 2.126 5.753 ( -0.147 -4.904 -2.824) 5.661 5.971 ( -3.591 1.247 -3.683) 5.293 6.016 ( -4.095 -2.730 -2.194) 5.389 6.315 ( 3.822 1.065 6.155) 7.323 6.357 ( 2.581 -2.942 6.258) 7.381 6.737 ( 1.109 6.249 -0.978) 6.421 6.793 ( -0.079 1.052 0.725) 1.280 7.104 ( -1.564 4.667 -0.549) 4.952 7.175 ( -3.314 -2.797 -1.411) 4.560 7.685 ( -0.837 -3.433 -2.214) 4.170 7.713 ( -4.165 -5.834 2.059) 7.458 8.262 ( 0.353 0.979 2.633) 2.831 8.282 ( 1.008 -1.118 0.502) 1.587 8.727 ( 2.177 12.414 -6.027) 13.970 8.770 ( -5.951 11.235 5.069) 13.687 9.066 ( 1.634 -12.018 -4.646) 12.988 9.095 ( -4.480 -11.875 4.206) 13.371 10.572 ( 0.693 2.208 -2.657) 3.524 10.587 ( -2.196 0.818 0.841) 2.490 11.252 ( 2.995 3.824 1.582) 5.108 11.329 ( 3.008 -3.636 2.011) 5.129 11.673 ( -2.682 4.831 -1.640) 5.764 11.767 ( -2.529 -4.183 -0.421) 4.906 12.140 ( -2.373 4.888 -3.696) 6.571 12.185 ( -2.153 1.995 -4.675) 5.520 12.456 ( 1.340 2.142 0.689) 2.619 12.525 ( -2.375 -1.702 0.940) 3.069 12.641 ( 1.685 -3.005 1.728) 3.854 12.653 ( 2.895 -4.459 -1.182) 5.446 13.360 ( 5.741 3.198 1.092) 6.661 13.429 ( 1.966 -3.467 4.666) 6.137 14.599 ( -2.231 6.512 -5.521) 8.824 14.753 ( -4.426 -8.695 -9.228) 13.430 15.131 ( 4.145 5.727 5.975) 9.256 15.254 ( 7.425 -6.117 5.379) 11.022 15.806 ( -3.594 10.932 -6.287) 13.114 15.971 ( 2.079 -3.522 -3.140) 5.157 16.198 ( -1.419 -0.131 -2.145) 2.575 16.290 ( -2.842 -7.042 -14.385) 16.266 17.368 ( 4.502 7.902 9.113) 12.874 17.504 ( -2.413 -5.358 11.650) 13.048 18.153 ( 0.552 0.256 0.277) 0.668 18.159 ( 0.442 -0.389 0.330) 0.675 ======================= Grid point 205 (111/111) ======================= q-point: ( 0.44 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 181 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 5.318 5.180 -0.080) 7.424 1.733 ( -3.211 -0.531 -0.887) 3.373 1.831 ( 5.642 5.325 -3.286) 8.425 1.942 ( -6.263 -0.504 -2.557) 6.784 2.121 ( 4.904 -3.313 -3.277) 6.765 2.206 ( -5.683 -8.700 -1.170) 10.457 2.592 ( 11.842 3.239 -0.883) 12.309 2.718 ( 6.109 -6.137 0.095) 8.660 2.794 ( -6.733 1.054 0.275) 6.820 2.910 ( -9.950 -8.470 -0.678) 13.084 3.166 ( 5.689 4.444 -0.353) 7.228 3.218 ( 0.323 -0.311 0.757) 0.879 3.304 ( -1.747 1.347 1.764) 2.825 3.335 ( -2.582 -1.444 0.253) 2.970 3.560 ( 2.987 5.572 3.801) 7.377 3.632 ( 3.590 -0.301 0.895) 3.712 3.640 ( -1.104 3.007 -3.013) 4.398 3.691 ( -0.689 -1.717 -2.652) 3.234 4.101 ( 4.799 3.086 6.139) 8.382 4.151 ( 7.006 -2.153 5.010) 8.878 4.221 ( 2.589 4.716 -1.262) 5.526 4.298 ( 8.701 2.605 -5.428) 10.581 4.322 ( -0.220 -3.781 2.477) 4.526 4.364 ( -0.901 -2.524 -8.351) 8.771 4.673 ( -0.526 4.923 6.346) 8.049 4.745 ( -1.508 -0.934 -1.924) 2.617 4.770 ( 1.309 2.083 -4.533) 5.158 4.816 ( 1.729 -1.865 -3.609) 4.415 4.878 ( 1.024 1.450 -0.153) 1.782 4.902 ( -6.871 -0.802 3.795) 7.891 5.063 ( -10.924 3.530 1.037) 11.527 5.101 ( -11.191 0.439 -1.732) 11.333 5.640 ( 3.202 0.778 2.983) 4.445 5.647 ( 4.021 -1.359 6.854) 8.062 5.700 ( -1.054 -0.158 2.146) 2.396 5.743 ( 1.838 -4.575 2.187) 5.394 5.830 ( -4.975 0.179 -8.097) 9.505 5.871 ( -5.614 -3.807 -6.890) 9.669 6.467 ( 4.432 -0.543 4.674) 6.464 6.484 ( 3.501 -2.039 3.350) 5.257 6.744 ( 1.210 4.566 -0.550) 4.755 6.778 ( -2.045 1.423 -0.321) 2.512 7.064 ( -1.509 3.596 0.002) 3.900 7.090 ( -2.896 0.672 -2.573) 3.932 7.658 ( 1.030 -4.397 -2.537) 5.180 7.670 ( -3.486 -5.397 2.350) 6.841 8.290 ( 0.038 0.471 1.697) 1.761 8.297 ( 0.560 -0.256 -0.392) 0.730 8.713 ( 3.724 12.696 -5.607) 14.370 8.730 ( -5.275 12.320 5.217) 14.381 9.052 ( 2.740 -13.018 -4.307) 13.983 9.065 ( -4.061 -12.974 3.947) 14.156 10.564 ( 1.622 1.988 -2.539) 3.609 10.569 ( -1.908 1.497 1.960) 3.118 11.354 ( 4.602 3.758 3.978) 7.150 11.414 ( 2.180 -1.647 1.114) 2.951 11.605 ( -1.124 2.400 -0.914) 2.804 11.678 ( -5.326 -4.184 -2.984) 7.401 12.100 ( 0.294 5.623 -0.750) 5.681 12.121 ( -1.017 4.251 -2.355) 4.965 12.483 ( 1.062 -1.312 0.494) 1.759 12.503 ( -1.224 -2.332 0.164) 2.639 12.675 ( 1.484 -1.947 0.044) 2.448 12.683 ( 0.607 -3.001 0.175) 3.066 13.442 ( 3.983 1.092 -0.919) 4.231 13.470 ( -1.904 -1.615 3.172) 4.037 14.558 ( 0.838 1.686 -0.216) 1.896 14.615 ( -2.653 -3.994 -5.221) 7.088 15.300 ( 6.142 7.568 8.550) 12.965 15.425 ( 2.058 -2.785 2.526) 4.286 15.676 ( 0.990 6.787 -3.266) 7.597 15.851 ( -6.800 -7.814 -11.226) 15.275 16.158 ( -0.861 -1.988 -0.701) 2.277 16.167 ( -0.758 -3.201 -1.831) 3.765 17.515 ( 4.904 3.851 2.138) 6.592 17.561 ( -3.032 -0.612 5.850) 6.617 18.161 ( 0.278 0.136 0.128) 0.335 18.165 ( -0.057 -0.177 0.103) 0.212 =================== 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 3/28080 10.0 422.545 362.866 462.633 0.000 -31.306 0.000 3/28080 20.0 64.915 56.740 62.113 0.000 -2.981 0.000 3/28080 30.0 22.915 20.224 21.141 0.000 -0.898 0.000 3/28080 40.0 12.240 10.740 11.174 0.000 -0.456 0.000 3/28080 50.0 8.015 6.980 7.307 0.000 -0.293 0.000 3/28080 60.0 5.889 5.097 5.375 0.000 -0.211 0.000 3/28080 70.0 4.647 4.005 4.249 0.000 -0.162 0.000 3/28080 80.0 3.843 3.305 3.520 0.000 -0.131 0.000 3/28080 90.0 3.285 2.824 3.013 0.000 -0.109 0.000 3/28080 100.0 2.876 2.475 2.642 0.000 -0.094 0.000 3/28080 110.0 2.565 2.211 2.360 0.000 -0.083 0.000 3/28080 120.0 2.321 2.005 2.138 0.000 -0.075 0.000 3/28080 130.0 2.124 1.839 1.959 0.000 -0.068 0.000 3/28080 140.0 1.962 1.703 1.813 0.000 -0.063 0.000 3/28080 150.0 1.827 1.589 1.690 0.000 -0.059 0.000 3/28080 160.0 1.711 1.492 1.585 0.000 -0.055 0.000 3/28080 170.0 1.611 1.408 1.495 0.000 -0.052 0.000 3/28080 180.0 1.524 1.335 1.416 0.000 -0.049 0.000 3/28080 190.0 1.447 1.270 1.346 0.000 -0.047 0.000 3/28080 200.0 1.378 1.212 1.284 0.000 -0.045 0.000 3/28080 210.0 1.316 1.160 1.228 0.000 -0.043 0.000 3/28080 220.0 1.260 1.112 1.178 0.000 -0.041 0.000 3/28080 230.0 1.209 1.069 1.131 0.000 -0.040 0.000 3/28080 240.0 1.163 1.029 1.089 0.000 -0.038 0.000 3/28080 250.0 1.120 0.992 1.050 0.000 -0.037 0.000 3/28080 260.0 1.080 0.958 1.014 0.000 -0.036 0.000 3/28080 270.0 1.043 0.927 0.980 0.000 -0.035 0.000 3/28080 280.0 1.009 0.897 0.949 0.000 -0.034 0.000 3/28080 290.0 0.977 0.869 0.919 0.000 -0.033 0.000 3/28080 300.0 0.947 0.843 0.892 0.000 -0.032 0.000 3/28080 310.0 0.919 0.819 0.866 0.000 -0.031 0.000 3/28080 320.0 0.892 0.796 0.842 0.000 -0.030 0.000 3/28080 330.0 0.867 0.774 0.819 0.000 -0.030 0.000 3/28080 340.0 0.843 0.754 0.797 0.000 -0.029 0.000 3/28080 350.0 0.821 0.734 0.776 0.000 -0.028 0.000 3/28080 360.0 0.800 0.716 0.756 0.000 -0.028 0.000 3/28080 370.0 0.780 0.698 0.738 0.000 -0.027 0.000 3/28080 380.0 0.760 0.681 0.720 0.000 -0.026 0.000 3/28080 390.0 0.742 0.665 0.703 0.000 -0.026 0.000 3/28080 400.0 0.725 0.650 0.687 0.000 -0.025 0.000 3/28080 410.0 0.708 0.635 0.671 0.000 -0.025 0.000 3/28080 420.0 0.692 0.621 0.657 0.000 -0.024 0.000 3/28080 430.0 0.677 0.608 0.643 0.000 -0.024 0.000 3/28080 440.0 0.663 0.595 0.629 0.000 -0.023 0.000 3/28080 450.0 0.649 0.583 0.616 0.000 -0.023 0.000 3/28080 460.0 0.635 0.571 0.603 0.000 -0.022 0.000 3/28080 470.0 0.622 0.559 0.591 0.000 -0.022 0.000 3/28080 480.0 0.610 0.549 0.580 0.000 -0.022 0.000 3/28080 490.0 0.598 0.538 0.569 0.000 -0.021 0.000 3/28080 500.0 0.587 0.528 0.558 0.000 -0.021 0.000 3/28080 510.0 0.576 0.518 0.548 0.000 -0.021 0.000 3/28080 520.0 0.565 0.509 0.538 0.000 -0.020 0.000 3/28080 530.0 0.555 0.500 0.528 0.000 -0.020 0.000 3/28080 540.0 0.545 0.491 0.519 0.000 -0.019 0.000 3/28080 550.0 0.536 0.482 0.510 0.000 -0.019 0.000 3/28080 560.0 0.526 0.474 0.501 0.000 -0.019 0.000 3/28080 570.0 0.518 0.466 0.493 0.000 -0.019 0.000 3/28080 580.0 0.509 0.459 0.485 0.000 -0.018 0.000 3/28080 590.0 0.501 0.451 0.477 0.000 -0.018 0.000 3/28080 600.0 0.493 0.444 0.470 0.000 -0.018 0.000 3/28080 610.0 0.485 0.437 0.462 0.000 -0.017 0.000 3/28080 620.0 0.477 0.430 0.455 0.000 -0.017 0.000 3/28080 630.0 0.470 0.424 0.448 0.000 -0.017 0.000 3/28080 640.0 0.463 0.417 0.441 0.000 -0.017 0.000 3/28080 650.0 0.456 0.411 0.435 0.000 -0.016 0.000 3/28080 660.0 0.449 0.405 0.429 0.000 -0.016 0.000 3/28080 670.0 0.443 0.399 0.422 0.000 -0.016 0.000 3/28080 680.0 0.436 0.394 0.416 0.000 -0.016 0.000 3/28080 690.0 0.430 0.388 0.411 0.000 -0.016 0.000 3/28080 700.0 0.424 0.383 0.405 0.000 -0.015 0.000 3/28080 710.0 0.419 0.378 0.399 0.000 -0.015 0.000 3/28080 720.0 0.413 0.373 0.394 0.000 -0.015 0.000 3/28080 730.0 0.407 0.368 0.389 0.000 -0.015 0.000 3/28080 740.0 0.402 0.363 0.384 0.000 -0.015 0.000 3/28080 750.0 0.397 0.358 0.379 0.000 -0.014 0.000 3/28080 760.0 0.392 0.354 0.374 0.000 -0.014 0.000 3/28080 770.0 0.387 0.349 0.369 0.000 -0.014 0.000 3/28080 780.0 0.382 0.345 0.365 0.000 -0.014 0.000 3/28080 790.0 0.377 0.341 0.360 0.000 -0.014 0.000 3/28080 800.0 0.373 0.336 0.356 0.000 -0.014 0.000 3/28080 810.0 0.368 0.332 0.352 0.000 -0.013 0.000 3/28080 820.0 0.364 0.328 0.347 0.000 -0.013 0.000 3/28080 830.0 0.359 0.325 0.343 0.000 -0.013 0.000 3/28080 840.0 0.355 0.321 0.339 0.000 -0.013 0.000 3/28080 850.0 0.351 0.317 0.335 0.000 -0.013 0.000 3/28080 860.0 0.347 0.314 0.332 0.000 -0.013 0.000 3/28080 870.0 0.343 0.310 0.328 0.000 -0.013 0.000 3/28080 880.0 0.339 0.307 0.324 0.000 -0.012 0.000 3/28080 890.0 0.336 0.303 0.321 0.000 -0.012 0.000 3/28080 900.0 0.332 0.300 0.317 0.000 -0.012 0.000 3/28080 910.0 0.328 0.297 0.314 0.000 -0.012 0.000 3/28080 920.0 0.325 0.294 0.310 0.000 -0.012 0.000 3/28080 930.0 0.321 0.290 0.307 0.000 -0.012 0.000 3/28080 940.0 0.318 0.287 0.304 0.000 -0.012 0.000 3/28080 950.0 0.315 0.284 0.301 0.000 -0.012 0.000 3/28080 960.0 0.311 0.282 0.298 0.000 -0.011 0.000 3/28080 970.0 0.308 0.279 0.295 0.000 -0.011 0.000 3/28080 980.0 0.305 0.276 0.292 0.000 -0.011 0.000 3/28080 990.0 0.302 0.273 0.289 0.000 -0.011 0.000 3/28080 1000.0 0.299 0.271 0.286 0.000 -0.011 0.000 3/28080 Thermal conductivity related properties were written into "kappa-m958.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:44:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|