----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:31:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.506898580182087 0.000000000000000 0.000000000000000 b 0.000000000000000 12.208935110000001 0.000000000000000 c -3.303030431081374 0.000000000000000 10.542739827119577 Atomic positions (fractional): *1 K 0.88774041771922 0.47088661955624 0.08110878283216 39.098 *2 K 0.91415273314876 0.45993001696051 0.35954293958442 39.098 *3 K 0.90419640061284 0.73872844100066 0.47132098036312 39.098 4 K 0.88774041771922 0.02911338044376 0.58110878283216 39.098 *5 K 0.75737293719163 0.93630263023324 0.29662565352503 39.098 6 K 0.91415273314876 0.04006998303949 0.85954293958442 39.098 *7 K 0.70412718191747 0.24632499474670 0.43226185580779 39.098 8 K 0.90419640061284 0.76127155899934 0.97132098036312 39.098 *9 K 0.57287314868651 0.46484324303439 0.14176081430007 39.098 *10 K 0.66682817205985 0.51596577252102 0.49305993159429 39.098 11 K 0.75737293719163 0.56369736976676 0.79662565352503 39.098 *12 K 0.49523078588594 0.23012216927061 0.13146155994024 39.098 13 K 0.70412718191747 0.25367500525330 0.93226185580779 39.098 14 K 0.50476921411406 0.73012216927061 0.36853844005976 39.098 15 K 0.57287314868651 0.03515675696561 0.64176081430007 39.098 16 K 0.33317182794015 0.01596577252102 0.00694006840571 39.098 17 K 0.66682817205985 0.98403422747898 0.99305993159429 39.098 18 K 0.42712685131349 0.96484324303439 0.35823918569994 39.098 19 K 0.49523078588594 0.26987783072939 0.63146155994024 39.098 20 K 0.29587281808253 0.74632499474670 0.06773814419221 39.098 21 K 0.50476921411406 0.76987783072939 0.86853844005976 39.098 22 K 0.24262706280837 0.43630263023324 0.20337434647497 39.098 23 K 0.33317182794015 0.48403422747898 0.50694006840571 39.098 24 K 0.42712685131349 0.53515675696561 0.85823918569993 39.098 25 K 0.09580359938716 0.23872844100066 0.02867901963688 39.098 26 K 0.29587281808253 0.75367500525330 0.56773814419221 39.098 27 K 0.08584726685124 0.95993001696051 0.14045706041558 39.098 28 K 0.24262706280837 0.06369736976677 0.70337434647497 39.098 29 K 0.11225958228078 0.97088661955624 0.41889121716784 39.098 30 K 0.09580359938716 0.26127155899934 0.52867901963688 39.098 31 K 0.08584726685124 0.54006998303949 0.64045706041558 39.098 32 K 0.11225958228078 0.52911338044376 0.91889121716784 39.098 *33 Al 0.91046840691634 0.19667224296875 0.23258961742710 26.982 34 Al 0.91046840691634 0.30332775703125 0.73258961742710 26.982 *35 Al 0.71272894417391 0.70292695007308 0.16216118540119 26.982 36 Al 0.71272894417391 0.79707304992692 0.66216118540119 26.982 37 Al 0.28727105582609 0.20292695007308 0.33783881459881 26.982 38 Al 0.28727105582609 0.29707304992692 0.83783881459881 26.982 39 Al 0.08953159308366 0.69667224296875 0.26741038257290 26.982 40 Al 0.08953159308366 0.80332775703125 0.76741038257290 26.982 *41 O 0.88464336711090 0.11251626173877 0.09316551074272 15.999 *42 O 0.90175635721873 0.76006238991311 0.21959540637238 15.999 *43 O 0.89560726838854 0.11935336094687 0.36590667183331 15.999 44 O 0.88464336711090 0.38748373826123 0.59316551074272 15.999 *45 O 0.77866619468674 0.30742236696003 0.19627471267655 15.999 46 O 0.90175635721873 0.73993761008689 0.71959540637237 15.999 47 O 0.89560726838854 0.38064663905313 0.86590667183331 15.999 *48 O 0.69234447388963 0.61889992062830 0.29032164929845 15.999 49 O 0.77866619468674 0.19257763303997 0.69627471267655 15.999 *50 O 0.58506433009173 0.81815844004679 0.12401476851261 15.999 *51 O 0.68237304487909 0.87875762753500 0.52029399791446 15.999 52 O 0.69234447388963 0.88110007937170 0.79032164929844 15.999 53 O 0.58506433009173 0.68184155995321 0.62401476851261 15.999 54 O 0.31762695512091 0.37875762753500 0.97970600208554 15.999 55 O 0.68237304487909 0.62124237246500 0.02029399791446 15.999 56 O 0.41493566990827 0.31815844004679 0.37598523148739 15.999 57 O 0.30765552611037 0.11889992062830 0.20967835070155 15.999 58 O 0.31762695512091 0.12124237246500 0.47970600208554 15.999 59 O 0.41493566990827 0.18184155995321 0.87598523148739 15.999 60 O 0.22133380531326 0.80742236696003 0.30372528732345 15.999 61 O 0.30765552611037 0.38110007937170 0.70967835070156 15.999 62 O 0.10439273161146 0.61935336094687 0.13409332816669 15.999 63 O 0.09824364278127 0.26006238991311 0.28040459362762 15.999 64 O 0.22133380531326 0.69257763303997 0.80372528732345 15.999 65 O 0.11535663288910 0.61251626173877 0.40683448925728 15.999 66 O 0.10439273161146 0.88064663905313 0.63409332816669 15.999 67 O 0.09824364278127 0.23993761008689 0.78040459362763 15.999 68 O 0.11535663288910 0.88748373826123 0.90683448925728 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.506898580182087 0.000000000000000 0.000000000000000 b 0.000000000000000 12.208935110000001 0.000000000000000 c -3.303030431081374 0.000000000000000 10.542739827119577 Atomic positions (fractional): *1 K 0.88774041771922 0.47088661955624 0.08110878283216 39.098 > 1 *2 K 0.91415273314876 0.45993001696051 0.35954293958442 39.098 > 2 *3 K 0.90419640061284 0.73872844100066 0.47132098036312 39.098 > 3 4 K 0.88774041771922 0.02911338044376 0.58110878283216 39.098 > 4 *5 K 0.75737293719163 0.93630263023324 0.29662565352503 39.098 > 5 6 K 0.91415273314876 0.04006998303949 0.85954293958442 39.098 > 6 *7 K 0.70412718191747 0.24632499474670 0.43226185580779 39.098 > 7 8 K 0.90419640061284 0.76127155899934 0.97132098036312 39.098 > 8 *9 K 0.57287314868651 0.46484324303439 0.14176081430007 39.098 > 9 *10 K 0.66682817205985 0.51596577252102 0.49305993159429 39.098 > 10 11 K 0.75737293719163 0.56369736976676 0.79662565352503 39.098 > 11 *12 K 0.49523078588594 0.23012216927061 0.13146155994024 39.098 > 12 13 K 0.70412718191747 0.25367500525330 0.93226185580779 39.098 > 13 14 K 0.50476921411406 0.73012216927061 0.36853844005976 39.098 > 14 15 K 0.57287314868651 0.03515675696561 0.64176081430007 39.098 > 15 16 K 0.33317182794015 0.01596577252102 0.00694006840571 39.098 > 16 17 K 0.66682817205985 0.98403422747898 0.99305993159429 39.098 > 17 18 K 0.42712685131349 0.96484324303439 0.35823918569994 39.098 > 18 19 K 0.49523078588594 0.26987783072939 0.63146155994024 39.098 > 19 20 K 0.29587281808253 0.74632499474670 0.06773814419221 39.098 > 20 21 K 0.50476921411406 0.76987783072939 0.86853844005976 39.098 > 21 22 K 0.24262706280837 0.43630263023324 0.20337434647497 39.098 > 22 23 K 0.33317182794015 0.48403422747898 0.50694006840571 39.098 > 23 24 K 0.42712685131349 0.53515675696561 0.85823918569993 39.098 > 24 25 K 0.09580359938716 0.23872844100066 0.02867901963688 39.098 > 25 26 K 0.29587281808253 0.75367500525330 0.56773814419221 39.098 > 26 27 K 0.08584726685124 0.95993001696051 0.14045706041558 39.098 > 27 28 K 0.24262706280837 0.06369736976677 0.70337434647497 39.098 > 28 29 K 0.11225958228078 0.97088661955624 0.41889121716784 39.098 > 29 30 K 0.09580359938716 0.26127155899934 0.52867901963688 39.098 > 30 31 K 0.08584726685124 0.54006998303949 0.64045706041558 39.098 > 31 32 K 0.11225958228078 0.52911338044376 0.91889121716784 39.098 > 32 *33 Al 0.91046840691634 0.19667224296875 0.23258961742710 26.982 > 33 34 Al 0.91046840691634 0.30332775703125 0.73258961742710 26.982 > 34 *35 Al 0.71272894417391 0.70292695007308 0.16216118540119 26.982 > 35 36 Al 0.71272894417391 0.79707304992692 0.66216118540119 26.982 > 36 37 Al 0.28727105582609 0.20292695007308 0.33783881459881 26.982 > 37 38 Al 0.28727105582609 0.29707304992692 0.83783881459881 26.982 > 38 39 Al 0.08953159308366 0.69667224296875 0.26741038257290 26.982 > 39 40 Al 0.08953159308366 0.80332775703125 0.76741038257290 26.982 > 40 *41 O 0.88464336711090 0.11251626173877 0.09316551074272 15.999 > 41 *42 O 0.90175635721873 0.76006238991311 0.21959540637238 15.999 > 42 *43 O 0.89560726838854 0.11935336094687 0.36590667183331 15.999 > 43 44 O 0.88464336711090 0.38748373826123 0.59316551074272 15.999 > 44 *45 O 0.77866619468674 0.30742236696003 0.19627471267655 15.999 > 45 46 O 0.90175635721873 0.73993761008689 0.71959540637237 15.999 > 46 47 O 0.89560726838854 0.38064663905313 0.86590667183331 15.999 > 47 *48 O 0.69234447388963 0.61889992062830 0.29032164929845 15.999 > 48 49 O 0.77866619468674 0.19257763303997 0.69627471267655 15.999 > 49 *50 O 0.58506433009173 0.81815844004679 0.12401476851261 15.999 > 50 *51 O 0.68237304487909 0.87875762753500 0.52029399791446 15.999 > 51 52 O 0.69234447388963 0.88110007937170 0.79032164929844 15.999 > 52 53 O 0.58506433009173 0.68184155995321 0.62401476851261 15.999 > 53 54 O 0.31762695512091 0.37875762753500 0.97970600208554 15.999 > 54 55 O 0.68237304487909 0.62124237246500 0.02029399791446 15.999 > 55 56 O 0.41493566990827 0.31815844004679 0.37598523148739 15.999 > 56 57 O 0.30765552611037 0.11889992062830 0.20967835070155 15.999 > 57 58 O 0.31762695512091 0.12124237246500 0.47970600208554 15.999 > 58 59 O 0.41493566990827 0.18184155995321 0.87598523148739 15.999 > 59 60 O 0.22133380531326 0.80742236696003 0.30372528732345 15.999 > 60 61 O 0.30765552611037 0.38110007937170 0.70967835070156 15.999 > 61 62 O 0.10439273161146 0.61935336094687 0.13409332816669 15.999 > 62 63 O 0.09824364278127 0.26006238991311 0.28040459362762 15.999 > 63 64 O 0.22133380531326 0.69257763303997 0.80372528732345 15.999 > 64 65 O 0.11535663288910 0.61251626173877 0.40683448925728 15.999 > 65 66 O 0.10439273161146 0.88064663905313 0.63409332816669 15.999 > 66 67 O 0.09824364278127 0.23993761008689 0.78040459362763 15.999 > 67 68 O 0.11535663288910 0.88748373826123 0.90683448925728 15.999 > 68 -------------------------------- super cell -------------------------------- Lattice vectors: a 19.013797160364174 0.000000000000000 0.000000000000000 b 0.000000000000000 12.208935110000001 0.000000000000000 c -3.303030431081374 0.000000000000000 10.542739827119577 Atomic positions (fractional): *1 K 0.44387020885961 0.47088661955624 0.08110878283216 39.098 > 1 2 K 0.94387020885961 0.47088661955624 0.08110878283216 39.098 > 1 *3 K 0.45707636657438 0.45993001696051 0.35954293958442 39.098 > 2 4 K 0.95707636657438 0.45993001696051 0.35954293958442 39.098 > 2 *5 K 0.45209820030642 0.73872844100066 0.47132098036312 39.098 > 3 6 K 0.95209820030642 0.73872844100066 0.47132098036312 39.098 > 3 7 K 0.44387020885961 0.02911338044376 0.58110878283216 39.098 > 4 8 K 0.94387020885961 0.02911338044376 0.58110878283216 39.098 > 4 *9 K 0.37868646859582 0.93630263023324 0.29662565352503 39.098 > 5 10 K 0.87868646859582 0.93630263023324 0.29662565352503 39.098 > 5 11 K 0.45707636657438 0.04006998303949 0.85954293958442 39.098 > 6 12 K 0.95707636657438 0.04006998303949 0.85954293958442 39.098 > 6 *13 K 0.35206359095873 0.24632499474670 0.43226185580779 39.098 > 7 14 K 0.85206359095873 0.24632499474670 0.43226185580779 39.098 > 7 15 K 0.45209820030642 0.76127155899934 0.97132098036312 39.098 > 8 16 K 0.95209820030642 0.76127155899934 0.97132098036312 39.098 > 8 *17 K 0.28643657434325 0.46484324303439 0.14176081430007 39.098 > 9 18 K 0.78643657434325 0.46484324303439 0.14176081430007 39.098 > 9 *19 K 0.33341408602993 0.51596577252102 0.49305993159429 39.098 > 10 20 K 0.83341408602993 0.51596577252102 0.49305993159429 39.098 > 10 21 K 0.37868646859582 0.56369736976676 0.79662565352503 39.098 > 11 22 K 0.87868646859582 0.56369736976676 0.79662565352503 39.098 > 11 *23 K 0.24761539294297 0.23012216927061 0.13146155994024 39.098 > 12 24 K 0.74761539294297 0.23012216927061 0.13146155994024 39.098 > 12 25 K 0.35206359095873 0.25367500525330 0.93226185580779 39.098 > 13 26 K 0.85206359095873 0.25367500525330 0.93226185580779 39.098 > 13 27 K 0.25238460705703 0.73012216927061 0.36853844005976 39.098 > 14 28 K 0.75238460705703 0.73012216927061 0.36853844005976 39.098 > 14 29 K 0.28643657434325 0.03515675696561 0.64176081430007 39.098 > 15 30 K 0.78643657434325 0.03515675696561 0.64176081430007 39.098 > 15 31 K 0.16658591397007 0.01596577252102 0.00694006840571 39.098 > 16 32 K 0.66658591397007 0.01596577252102 0.00694006840571 39.098 > 16 33 K 0.33341408602993 0.98403422747898 0.99305993159429 39.098 > 17 34 K 0.83341408602993 0.98403422747898 0.99305993159429 39.098 > 17 35 K 0.21356342565674 0.96484324303439 0.35823918569994 39.098 > 18 36 K 0.71356342565675 0.96484324303439 0.35823918569994 39.098 > 18 37 K 0.24761539294297 0.26987783072939 0.63146155994024 39.098 > 19 38 K 0.74761539294297 0.26987783072939 0.63146155994024 39.098 > 19 39 K 0.14793640904127 0.74632499474670 0.06773814419221 39.098 > 20 40 K 0.64793640904127 0.74632499474670 0.06773814419221 39.098 > 20 41 K 0.25238460705703 0.76987783072939 0.86853844005976 39.098 > 21 42 K 0.75238460705703 0.76987783072939 0.86853844005976 39.098 > 21 43 K 0.12131353140418 0.43630263023324 0.20337434647497 39.098 > 22 44 K 0.62131353140418 0.43630263023324 0.20337434647497 39.098 > 22 45 K 0.16658591397007 0.48403422747898 0.50694006840571 39.098 > 23 46 K 0.66658591397007 0.48403422747898 0.50694006840571 39.098 > 23 47 K 0.21356342565674 0.53515675696561 0.85823918569993 39.098 > 24 48 K 0.71356342565675 0.53515675696561 0.85823918569993 39.098 > 24 49 K 0.04790179969358 0.23872844100066 0.02867901963688 39.098 > 25 50 K 0.54790179969358 0.23872844100066 0.02867901963688 39.098 > 25 51 K 0.14793640904127 0.75367500525330 0.56773814419221 39.098 > 26 52 K 0.64793640904127 0.75367500525330 0.56773814419221 39.098 > 26 53 K 0.04292363342562 0.95993001696051 0.14045706041558 39.098 > 27 54 K 0.54292363342562 0.95993001696051 0.14045706041558 39.098 > 27 55 K 0.12131353140418 0.06369736976677 0.70337434647497 39.098 > 28 56 K 0.62131353140418 0.06369736976677 0.70337434647497 39.098 > 28 57 K 0.05612979114039 0.97088661955624 0.41889121716784 39.098 > 29 58 K 0.55612979114039 0.97088661955624 0.41889121716784 39.098 > 29 59 K 0.04790179969358 0.26127155899934 0.52867901963688 39.098 > 30 60 K 0.54790179969358 0.26127155899934 0.52867901963688 39.098 > 30 61 K 0.04292363342562 0.54006998303949 0.64045706041558 39.098 > 31 62 K 0.54292363342562 0.54006998303949 0.64045706041558 39.098 > 31 63 K 0.05612979114039 0.52911338044376 0.91889121716784 39.098 > 32 64 K 0.55612979114039 0.52911338044376 0.91889121716784 39.098 > 32 *65 Al 0.45523420345817 0.19667224296875 0.23258961742710 26.982 > 33 66 Al 0.95523420345817 0.19667224296875 0.23258961742710 26.982 > 33 67 Al 0.45523420345817 0.30332775703125 0.73258961742710 26.982 > 34 68 Al 0.95523420345817 0.30332775703125 0.73258961742710 26.982 > 34 *69 Al 0.35636447208696 0.70292695007308 0.16216118540119 26.982 > 35 70 Al 0.85636447208696 0.70292695007308 0.16216118540119 26.982 > 35 71 Al 0.35636447208696 0.79707304992692 0.66216118540119 26.982 > 36 72 Al 0.85636447208696 0.79707304992692 0.66216118540119 26.982 > 36 73 Al 0.14363552791304 0.20292695007308 0.33783881459881 26.982 > 37 74 Al 0.64363552791304 0.20292695007308 0.33783881459881 26.982 > 37 75 Al 0.14363552791304 0.29707304992692 0.83783881459881 26.982 > 38 76 Al 0.64363552791304 0.29707304992692 0.83783881459881 26.982 > 38 77 Al 0.04476579654183 0.69667224296875 0.26741038257290 26.982 > 39 78 Al 0.54476579654183 0.69667224296875 0.26741038257290 26.982 > 39 79 Al 0.04476579654183 0.80332775703125 0.76741038257290 26.982 > 40 80 Al 0.54476579654183 0.80332775703125 0.76741038257290 26.982 > 40 *81 O 0.44232168355545 0.11251626173877 0.09316551074272 15.999 > 41 82 O 0.94232168355545 0.11251626173877 0.09316551074272 15.999 > 41 *83 O 0.45087817860937 0.76006238991311 0.21959540637238 15.999 > 42 84 O 0.95087817860936 0.76006238991311 0.21959540637238 15.999 > 42 *85 O 0.44780363419427 0.11935336094687 0.36590667183331 15.999 > 43 86 O 0.94780363419427 0.11935336094687 0.36590667183331 15.999 > 43 87 O 0.44232168355545 0.38748373826123 0.59316551074272 15.999 > 44 88 O 0.94232168355545 0.38748373826123 0.59316551074272 15.999 > 44 *89 O 0.38933309734337 0.30742236696003 0.19627471267655 15.999 > 45 90 O 0.88933309734337 0.30742236696003 0.19627471267655 15.999 > 45 91 O 0.45087817860937 0.73993761008689 0.71959540637237 15.999 > 46 92 O 0.95087817860936 0.73993761008689 0.71959540637237 15.999 > 46 93 O 0.44780363419427 0.38064663905313 0.86590667183331 15.999 > 47 94 O 0.94780363419427 0.38064663905313 0.86590667183331 15.999 > 47 *95 O 0.34617223694482 0.61889992062830 0.29032164929845 15.999 > 48 96 O 0.84617223694482 0.61889992062830 0.29032164929845 15.999 > 48 97 O 0.38933309734337 0.19257763303997 0.69627471267655 15.999 > 49 98 O 0.88933309734337 0.19257763303997 0.69627471267655 15.999 > 49 *99 O 0.29253216504586 0.81815844004679 0.12401476851261 15.999 > 50 100 O 0.79253216504586 0.81815844004679 0.12401476851261 15.999 > 50 *101 O 0.34118652243955 0.87875762753500 0.52029399791446 15.999 > 51 102 O 0.84118652243955 0.87875762753500 0.52029399791446 15.999 > 51 103 O 0.34617223694482 0.88110007937170 0.79032164929844 15.999 > 52 104 O 0.84617223694482 0.88110007937170 0.79032164929844 15.999 > 52 105 O 0.29253216504586 0.68184155995321 0.62401476851261 15.999 > 53 106 O 0.79253216504586 0.68184155995321 0.62401476851261 15.999 > 53 107 O 0.15881347756045 0.37875762753500 0.97970600208554 15.999 > 54 108 O 0.65881347756045 0.37875762753500 0.97970600208554 15.999 > 54 109 O 0.34118652243955 0.62124237246500 0.02029399791446 15.999 > 55 110 O 0.84118652243955 0.62124237246500 0.02029399791446 15.999 > 55 111 O 0.20746783495414 0.31815844004679 0.37598523148739 15.999 > 56 112 O 0.70746783495414 0.31815844004679 0.37598523148739 15.999 > 56 113 O 0.15382776305519 0.11889992062830 0.20967835070155 15.999 > 57 114 O 0.65382776305518 0.11889992062830 0.20967835070155 15.999 > 57 115 O 0.15881347756045 0.12124237246500 0.47970600208554 15.999 > 58 116 O 0.65881347756045 0.12124237246500 0.47970600208554 15.999 > 58 117 O 0.20746783495414 0.18184155995321 0.87598523148739 15.999 > 59 118 O 0.70746783495414 0.18184155995321 0.87598523148739 15.999 > 59 119 O 0.11066690265663 0.80742236696003 0.30372528732345 15.999 > 60 120 O 0.61066690265663 0.80742236696003 0.30372528732345 15.999 > 60 121 O 0.15382776305519 0.38110007937170 0.70967835070156 15.999 > 61 122 O 0.65382776305518 0.38110007937170 0.70967835070156 15.999 > 61 123 O 0.05219636580573 0.61935336094687 0.13409332816669 15.999 > 62 124 O 0.55219636580573 0.61935336094687 0.13409332816669 15.999 > 62 125 O 0.04912182139063 0.26006238991311 0.28040459362762 15.999 > 63 126 O 0.54912182139064 0.26006238991311 0.28040459362762 15.999 > 63 127 O 0.11066690265663 0.69257763303997 0.80372528732345 15.999 > 64 128 O 0.61066690265663 0.69257763303997 0.80372528732345 15.999 > 64 129 O 0.05767831644455 0.61251626173877 0.40683448925728 15.999 > 65 130 O 0.55767831644455 0.61251626173877 0.40683448925728 15.999 > 65 131 O 0.05219636580573 0.88064663905313 0.63409332816669 15.999 > 66 132 O 0.55219636580573 0.88064663905313 0.63409332816669 15.999 > 66 133 O 0.04912182139063 0.23993761008689 0.78040459362763 15.999 > 67 134 O 0.54912182139064 0.23993761008689 0.78040459362763 15.999 > 67 135 O 0.05767831644455 0.88748373826123 0.90683448925728 15.999 > 68 136 O 0.55767831644455 0.88748373826123 0.90683448925728 15.999 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9035686 0.0000000 -0.0062833 0.0000000 2.9398492 0.0000000 -0.0062851 0.0000000 2.9089928 -------------------------- Born effective charges -------------------------- 1 K 1.0258513 -0.0301793 -0.0694023 -0.0433026 1.2701948 0.0304440 -0.0644293 0.0565670 1.0470589 2 K 1.0110061 0.0439471 0.0178149 0.0359181 1.2821422 0.0180479 0.0135175 0.0045219 1.0703656 3 K 1.1335908 -0.0429177 -0.0665908 -0.0664906 0.9829364 0.1824043 -0.0792173 0.1837005 1.3263380 4 K 1.0258513 0.0301793 -0.0694023 0.0433026 1.2701948 -0.0304440 -0.0644293 -0.0565670 1.0470589 5 K 1.0266586 0.1169914 -0.0242714 0.1329063 1.2638886 0.1225800 -0.0330555 0.1165546 1.1150534 6 K 1.0110061 -0.0439471 0.0178149 -0.0359181 1.2821422 -0.0180479 0.0135175 -0.0045219 1.0703656 7 K 1.1996791 -0.0297375 -0.0178849 -0.0298415 0.9560804 0.0158569 -0.0172325 0.0294252 1.1811791 8 K 1.1335908 0.0429177 -0.0665908 0.0664906 0.9829364 -0.1824043 -0.0792173 -0.1837005 1.3263380 9 K 1.0847104 0.1198965 0.0936377 0.1429886 1.2573254 0.0402199 0.1110550 0.0390564 1.0130672 10 K 1.0190764 -0.0873152 -0.0045931 -0.0693900 1.2549617 -0.0469567 -0.0034794 -0.0491044 1.1134207 11 K 1.0266586 -0.1169914 -0.0242714 -0.1329063 1.2638886 -0.1225800 -0.0330555 -0.1165546 1.1150534 12 K 1.2307114 0.0412884 0.0003830 0.0554474 0.9254037 -0.0387529 0.0060172 -0.0405605 1.1759439 13 K 1.1996791 0.0297375 -0.0178849 0.0298415 0.9560804 -0.0158569 -0.0172325 -0.0294252 1.1811791 14 K 1.2307114 -0.0412884 0.0003830 -0.0554474 0.9254037 0.0387529 0.0060172 0.0405605 1.1759439 15 K 1.0847104 -0.1198965 0.0936377 -0.1429886 1.2573254 -0.0402199 0.1110550 -0.0390564 1.0130672 16 K 1.0190764 0.0873152 -0.0045931 0.0693900 1.2549617 0.0469567 -0.0034794 0.0491044 1.1134207 17 K 1.0190764 0.0873152 -0.0045931 0.0693900 1.2549617 0.0469567 -0.0034794 0.0491044 1.1134207 18 K 1.0847104 -0.1198965 0.0936377 -0.1429886 1.2573254 -0.0402199 0.1110550 -0.0390564 1.0130672 19 K 1.2307114 -0.0412884 0.0003830 -0.0554474 0.9254037 0.0387529 0.0060172 0.0405605 1.1759439 20 K 1.1996791 0.0297375 -0.0178849 0.0298415 0.9560804 -0.0158569 -0.0172325 -0.0294252 1.1811791 21 K 1.2307114 0.0412884 0.0003830 0.0554474 0.9254037 -0.0387529 0.0060172 -0.0405605 1.1759439 22 K 1.0266586 -0.1169914 -0.0242714 -0.1329063 1.2638886 -0.1225800 -0.0330555 -0.1165546 1.1150534 23 K 1.0190764 -0.0873152 -0.0045931 -0.0693900 1.2549617 -0.0469567 -0.0034794 -0.0491044 1.1134207 24 K 1.0847104 0.1198965 0.0936377 0.1429886 1.2573254 0.0402199 0.1110550 0.0390564 1.0130672 25 K 1.1335908 0.0429177 -0.0665908 0.0664906 0.9829364 -0.1824043 -0.0792173 -0.1837005 1.3263380 26 K 1.1996791 -0.0297375 -0.0178849 -0.0298415 0.9560804 0.0158569 -0.0172325 0.0294252 1.1811791 27 K 1.0110061 -0.0439471 0.0178149 -0.0359181 1.2821422 -0.0180479 0.0135175 -0.0045219 1.0703656 28 K 1.0266586 0.1169914 -0.0242714 0.1329063 1.2638886 0.1225800 -0.0330555 0.1165546 1.1150534 29 K 1.0258513 0.0301793 -0.0694023 0.0433026 1.2701948 -0.0304440 -0.0644293 -0.0565670 1.0470589 30 K 1.1335908 -0.0429177 -0.0665908 -0.0664906 0.9829364 0.1824043 -0.0792173 0.1837005 1.3263380 31 K 1.0110061 0.0439471 0.0178149 0.0359181 1.2821422 0.0180479 0.0135175 0.0045219 1.0703656 32 K 1.0258513 -0.0301793 -0.0694023 -0.0433026 1.2701948 0.0304440 -0.0644293 0.0565670 1.0470589 33 Al 2.1736572 -0.0071147 0.0290545 -0.0981656 2.1693799 0.0136601 0.0227364 0.0165399 2.2587495 34 Al 2.1736572 0.0071147 0.0290545 0.0981656 2.1693799 -0.0136601 0.0227364 -0.0165399 2.2587495 35 Al 2.1310794 -0.0141197 0.0776677 -0.0956215 2.2412505 -0.0509985 0.0794299 0.0275222 2.2402121 36 Al 2.1310794 0.0141197 0.0776677 0.0956215 2.2412505 0.0509985 0.0794299 -0.0275222 2.2402121 37 Al 2.1310794 0.0141197 0.0776677 0.0956215 2.2412505 0.0509985 0.0794299 -0.0275222 2.2402121 38 Al 2.1310794 -0.0141197 0.0776677 -0.0956215 2.2412505 -0.0509985 0.0794299 0.0275222 2.2402121 39 Al 2.1736572 0.0071147 0.0290545 0.0981656 2.1693799 -0.0136601 0.0227364 -0.0165399 2.2587495 40 Al 2.1736572 -0.0071147 0.0290545 -0.0981656 2.1693799 0.0136601 0.0227364 0.0165399 2.2587495 41 O -1.6494220 0.0307450 0.0197348 0.0445045 -1.9762934 -0.3594680 0.0239074 -0.2772718 -2.1233437 42 O -2.4865068 0.0307404 -0.3341259 0.0446813 -1.6011559 -0.0180195 -0.2732625 -0.0310732 -1.6302625 43 O -1.7041370 -0.0879267 0.2328043 -0.1030002 -1.9776378 0.3107784 0.1857654 0.2271933 -2.0816422 44 O -1.6494220 -0.0307450 0.0197348 -0.0445045 -1.9762934 0.3594680 0.0239074 0.2772718 -2.1233437 45 O -1.9024680 0.3062277 -0.1026831 0.3498176 -2.1005034 0.0910704 -0.0935227 0.0885884 -1.7076900 46 O -2.4865068 -0.0307404 -0.3341259 -0.0446813 -1.6011559 0.0180195 -0.2732625 0.0310732 -1.6302625 47 O -1.7041370 0.0879267 0.2328043 0.1030002 -1.9776378 -0.3107784 0.1857654 -0.2271933 -2.0816422 48 O -1.6941978 -0.1254999 0.2285025 -0.0885139 -1.9822739 0.2406409 0.1995820 0.2096700 -2.1193806 49 O -1.9024680 -0.3062277 -0.1026831 -0.3498176 -2.1005034 -0.0910704 -0.0935227 -0.0885884 -1.7076900 50 O -1.9049166 0.2815279 -0.1288476 0.2983463 -2.0554046 0.0976752 -0.1028766 0.0878087 -1.7686970 51 O -1.6943723 -0.0579874 0.0487998 -0.0254015 -1.9102946 0.2292851 0.0250648 0.2200568 -2.1103725 52 O -1.6941978 0.1254999 0.2285025 0.0885139 -1.9822739 -0.2406409 0.1995820 -0.2096700 -2.1193806 53 O -1.9049166 -0.2815279 -0.1288476 -0.2983463 -2.0554046 -0.0976752 -0.1028766 -0.0878087 -1.7686970 54 O -1.6943723 0.0579874 0.0487998 0.0254015 -1.9102946 -0.2292851 0.0250648 -0.2200568 -2.1103725 55 O -1.6943723 0.0579874 0.0487998 0.0254015 -1.9102946 -0.2292851 0.0250648 -0.2200568 -2.1103725 56 O -1.9049166 -0.2815279 -0.1288476 -0.2983463 -2.0554046 -0.0976752 -0.1028766 -0.0878087 -1.7686970 57 O -1.6941978 0.1254999 0.2285025 0.0885139 -1.9822739 -0.2406409 0.1995820 -0.2096700 -2.1193806 58 O -1.6943723 -0.0579874 0.0487998 -0.0254015 -1.9102946 0.2292851 0.0250648 0.2200568 -2.1103725 59 O -1.9049166 0.2815279 -0.1288476 0.2983463 -2.0554046 0.0976752 -0.1028766 0.0878087 -1.7686970 60 O -1.9024680 -0.3062277 -0.1026831 -0.3498176 -2.1005034 -0.0910704 -0.0935227 -0.0885884 -1.7076900 61 O -1.6941978 -0.1254999 0.2285025 -0.0885139 -1.9822739 0.2406409 0.1995820 0.2096700 -2.1193806 62 O -1.7041370 0.0879267 0.2328043 0.1030002 -1.9776378 -0.3107784 0.1857654 -0.2271933 -2.0816422 63 O -2.4865068 -0.0307404 -0.3341259 -0.0446813 -1.6011559 0.0180195 -0.2732625 0.0310732 -1.6302625 64 O -1.9024680 0.3062277 -0.1026831 0.3498176 -2.1005034 0.0910704 -0.0935227 0.0885884 -1.7076900 65 O -1.6494220 -0.0307450 0.0197348 -0.0445045 -1.9762934 0.3594680 0.0239074 0.2772718 -2.1233437 66 O -1.7041370 -0.0879267 0.2328043 -0.1030002 -1.9776378 0.3107784 0.1857654 0.2271933 -2.0816422 67 O -2.4865068 0.0307404 -0.3341259 0.0446813 -1.6011559 -0.0180195 -0.2732625 -0.0310732 -1.6302625 68 O -1.6494220 0.0307450 0.0197348 0.0445045 -1.9762934 -0.3594680 0.0239074 -0.2772718 -2.1233437 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10608 Number of blocks in projector: 10608 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 156 (1) Compute compressed projector. (1) Use standard solver. (1) 122 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 156 (1) Compute compressed projector. (1) Use standard solver. (1) 122 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (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: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (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: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (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: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10608, 10456), data: False |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 122), data: (2312, 156) @ (156, 122) |-- (312, 278), data: True |-- (500, 466), data: False |-- (500, 12), data: (500, 46) @ (46, 12) |-- (250, 222), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 122), data: (2312, 156) @ (156, 122) |-- (312, 278), data: True |-- (500, 466), data: False |-- (500, 12), data: (500, 46) @ (46, 12) |-- (250, 222), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 2080 - Time: 3.652 Solver_block: 200 / 2080 - Time: 3.184 Solver_block: 300 / 2080 - Time: 3.172 Solver_block: 400 / 2080 - Time: 3.216 Solver_block: 500 / 2080 - Time: 3.180 Solver_block: 600 / 2080 - Time: 3.193 Solver_block: 700 / 2080 - Time: 3.179 Solver_block: 800 / 2080 - Time: 3.182 Solver_block: 900 / 2080 - Time: 3.289 Solver_block: 1000 / 2080 - Time: 3.267 Solver_block: 1100 / 2080 - Time: 3.250 Solver_block: 1200 / 2080 - Time: 3.135 Solver_block: 1300 / 2080 - Time: 3.166 Solver_block: 1400 / 2080 - Time: 3.144 Solver_block: 1500 / 2080 - Time: 3.107 Solver_block: 1600 / 2080 - Time: 3.203 Solver_block: 1700 / 2080 - Time: 3.178 Solver_block: 1800 / 2080 - Time: 3.191 Solver_block: 1900 / 2080 - Time: 3.146 Solver_block: 2000 / 2080 - Time: 3.287 Solver_block: 2080 / 2080 - Time: 2.611 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 68.921 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10608 Number of blocks in projector: 10608 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 156 (1) Compute compressed projector. (1) Use standard solver. (1) 122 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 156 (1) Compute compressed projector. (1) Use standard solver. (1) 122 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (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: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (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: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (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: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10608, 10456), data: False |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 122), data: (2312, 156) @ (156, 122) |-- (312, 278), data: True |-- (500, 466), data: False |-- (500, 12), data: (500, 46) @ (46, 12) |-- (250, 222), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 122), data: (2312, 156) @ (156, 122) |-- (312, 278), data: True |-- (500, 466), data: False |-- (500, 12), data: (500, 46) @ (46, 12) |-- (250, 222), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:34:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:34:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.506898580182087 0.000000000000000 0.000000000000000 b 0.000000000000000 12.208935110000001 0.000000000000000 c -3.303030431081374 0.000000000000000 10.542739827119577 Atomic positions (fractional): 1 K 0.88774041771922 0.47088661955624 0.08110878283216 39.098 2 K 0.91415273314876 0.45993001696051 0.35954293958442 39.098 3 K 0.90419640061284 0.73872844100066 0.47132098036312 39.098 4 K 0.88774041771922 0.02911338044376 0.58110878283216 39.098 5 K 0.75737293719163 0.93630263023324 0.29662565352503 39.098 6 K 0.91415273314876 0.04006998303949 0.85954293958442 39.098 7 K 0.70412718191747 0.24632499474670 0.43226185580779 39.098 8 K 0.90419640061284 0.76127155899934 0.97132098036312 39.098 9 K 0.57287314868651 0.46484324303439 0.14176081430007 39.098 10 K 0.66682817205985 0.51596577252102 0.49305993159429 39.098 11 K 0.75737293719163 0.56369736976676 0.79662565352503 39.098 12 K 0.49523078588594 0.23012216927061 0.13146155994024 39.098 13 K 0.70412718191747 0.25367500525330 0.93226185580779 39.098 14 K 0.50476921411406 0.73012216927061 0.36853844005976 39.098 15 K 0.57287314868651 0.03515675696561 0.64176081430007 39.098 16 K 0.33317182794015 0.01596577252102 0.00694006840571 39.098 17 K 0.66682817205985 0.98403422747898 0.99305993159429 39.098 18 K 0.42712685131349 0.96484324303439 0.35823918569994 39.098 19 K 0.49523078588594 0.26987783072939 0.63146155994024 39.098 20 K 0.29587281808253 0.74632499474670 0.06773814419221 39.098 21 K 0.50476921411406 0.76987783072939 0.86853844005976 39.098 22 K 0.24262706280837 0.43630263023324 0.20337434647497 39.098 23 K 0.33317182794015 0.48403422747898 0.50694006840571 39.098 24 K 0.42712685131349 0.53515675696561 0.85823918569993 39.098 25 K 0.09580359938716 0.23872844100066 0.02867901963688 39.098 26 K 0.29587281808253 0.75367500525330 0.56773814419221 39.098 27 K 0.08584726685124 0.95993001696051 0.14045706041558 39.098 28 K 0.24262706280837 0.06369736976677 0.70337434647497 39.098 29 K 0.11225958228078 0.97088661955624 0.41889121716784 39.098 30 K 0.09580359938716 0.26127155899934 0.52867901963688 39.098 31 K 0.08584726685124 0.54006998303949 0.64045706041558 39.098 32 K 0.11225958228078 0.52911338044376 0.91889121716784 39.098 33 Al 0.91046840691634 0.19667224296875 0.23258961742710 26.982 34 Al 0.91046840691634 0.30332775703125 0.73258961742710 26.982 35 Al 0.71272894417391 0.70292695007308 0.16216118540119 26.982 36 Al 0.71272894417391 0.79707304992692 0.66216118540119 26.982 37 Al 0.28727105582609 0.20292695007308 0.33783881459881 26.982 38 Al 0.28727105582609 0.29707304992692 0.83783881459881 26.982 39 Al 0.08953159308366 0.69667224296875 0.26741038257290 26.982 40 Al 0.08953159308366 0.80332775703125 0.76741038257290 26.982 41 O 0.88464336711090 0.11251626173877 0.09316551074272 15.999 42 O 0.90175635721873 0.76006238991311 0.21959540637238 15.999 43 O 0.89560726838854 0.11935336094687 0.36590667183331 15.999 44 O 0.88464336711090 0.38748373826123 0.59316551074272 15.999 45 O 0.77866619468674 0.30742236696003 0.19627471267655 15.999 46 O 0.90175635721873 0.73993761008689 0.71959540637237 15.999 47 O 0.89560726838854 0.38064663905313 0.86590667183331 15.999 48 O 0.69234447388963 0.61889992062830 0.29032164929845 15.999 49 O 0.77866619468674 0.19257763303997 0.69627471267655 15.999 50 O 0.58506433009173 0.81815844004679 0.12401476851261 15.999 51 O 0.68237304487909 0.87875762753500 0.52029399791446 15.999 52 O 0.69234447388963 0.88110007937170 0.79032164929844 15.999 53 O 0.58506433009173 0.68184155995321 0.62401476851261 15.999 54 O 0.31762695512091 0.37875762753500 0.97970600208554 15.999 55 O 0.68237304487909 0.62124237246500 0.02029399791446 15.999 56 O 0.41493566990827 0.31815844004679 0.37598523148739 15.999 57 O 0.30765552611037 0.11889992062830 0.20967835070155 15.999 58 O 0.31762695512091 0.12124237246500 0.47970600208554 15.999 59 O 0.41493566990827 0.18184155995321 0.87598523148739 15.999 60 O 0.22133380531326 0.80742236696003 0.30372528732345 15.999 61 O 0.30765552611037 0.38110007937170 0.70967835070156 15.999 62 O 0.10439273161146 0.61935336094687 0.13409332816669 15.999 63 O 0.09824364278127 0.26006238991311 0.28040459362762 15.999 64 O 0.22133380531326 0.69257763303997 0.80372528732345 15.999 65 O 0.11535663288910 0.61251626173877 0.40683448925728 15.999 66 O 0.10439273161146 0.88064663905313 0.63409332816669 15.999 67 O 0.09824364278127 0.23993761008689 0.78040459362763 15.999 68 O 0.11535663288910 0.88748373826123 0.90683448925728 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 19.013797160364174 0.000000000000000 0.000000000000000 b 0.000000000000000 12.208935110000001 0.000000000000000 c -3.303030431081374 0.000000000000000 10.542739827119577 Atomic positions (fractional): 1 K 0.44387020885961 0.47088661955624 0.08110878283216 39.098 > 1 2 K 0.94387020885961 0.47088661955624 0.08110878283216 39.098 > 1 3 K 0.45707636657438 0.45993001696051 0.35954293958442 39.098 > 3 4 K 0.95707636657438 0.45993001696051 0.35954293958442 39.098 > 3 5 K 0.45209820030642 0.73872844100066 0.47132098036312 39.098 > 5 6 K 0.95209820030642 0.73872844100066 0.47132098036312 39.098 > 5 7 K 0.44387020885961 0.02911338044376 0.58110878283216 39.098 > 7 8 K 0.94387020885961 0.02911338044376 0.58110878283216 39.098 > 7 9 K 0.37868646859582 0.93630263023324 0.29662565352503 39.098 > 9 10 K 0.87868646859582 0.93630263023324 0.29662565352503 39.098 > 9 11 K 0.45707636657438 0.04006998303949 0.85954293958442 39.098 > 11 12 K 0.95707636657438 0.04006998303949 0.85954293958442 39.098 > 11 13 K 0.35206359095873 0.24632499474670 0.43226185580779 39.098 > 13 14 K 0.85206359095873 0.24632499474670 0.43226185580779 39.098 > 13 15 K 0.45209820030642 0.76127155899934 0.97132098036312 39.098 > 15 16 K 0.95209820030642 0.76127155899934 0.97132098036312 39.098 > 15 17 K 0.28643657434325 0.46484324303439 0.14176081430007 39.098 > 17 18 K 0.78643657434325 0.46484324303439 0.14176081430007 39.098 > 17 19 K 0.33341408602993 0.51596577252102 0.49305993159429 39.098 > 19 20 K 0.83341408602993 0.51596577252102 0.49305993159429 39.098 > 19 21 K 0.37868646859582 0.56369736976676 0.79662565352503 39.098 > 21 22 K 0.87868646859582 0.56369736976676 0.79662565352503 39.098 > 21 23 K 0.24761539294297 0.23012216927061 0.13146155994024 39.098 > 23 24 K 0.74761539294297 0.23012216927061 0.13146155994024 39.098 > 23 25 K 0.35206359095873 0.25367500525330 0.93226185580779 39.098 > 25 26 K 0.85206359095873 0.25367500525330 0.93226185580779 39.098 > 25 27 K 0.25238460705703 0.73012216927061 0.36853844005976 39.098 > 27 28 K 0.75238460705703 0.73012216927061 0.36853844005976 39.098 > 27 29 K 0.28643657434325 0.03515675696561 0.64176081430007 39.098 > 29 30 K 0.78643657434325 0.03515675696561 0.64176081430007 39.098 > 29 31 K 0.16658591397007 0.01596577252102 0.00694006840571 39.098 > 31 32 K 0.66658591397007 0.01596577252102 0.00694006840571 39.098 > 31 33 K 0.33341408602993 0.98403422747898 0.99305993159429 39.098 > 33 34 K 0.83341408602993 0.98403422747898 0.99305993159429 39.098 > 33 35 K 0.21356342565674 0.96484324303439 0.35823918569994 39.098 > 35 36 K 0.71356342565675 0.96484324303439 0.35823918569994 39.098 > 35 37 K 0.24761539294297 0.26987783072939 0.63146155994024 39.098 > 37 38 K 0.74761539294297 0.26987783072939 0.63146155994024 39.098 > 37 39 K 0.14793640904127 0.74632499474670 0.06773814419221 39.098 > 39 40 K 0.64793640904127 0.74632499474670 0.06773814419221 39.098 > 39 41 K 0.25238460705703 0.76987783072939 0.86853844005976 39.098 > 41 42 K 0.75238460705703 0.76987783072939 0.86853844005976 39.098 > 41 43 K 0.12131353140418 0.43630263023324 0.20337434647497 39.098 > 43 44 K 0.62131353140418 0.43630263023324 0.20337434647497 39.098 > 43 45 K 0.16658591397007 0.48403422747898 0.50694006840571 39.098 > 45 46 K 0.66658591397007 0.48403422747898 0.50694006840571 39.098 > 45 47 K 0.21356342565674 0.53515675696561 0.85823918569993 39.098 > 47 48 K 0.71356342565675 0.53515675696561 0.85823918569993 39.098 > 47 49 K 0.04790179969358 0.23872844100066 0.02867901963688 39.098 > 49 50 K 0.54790179969358 0.23872844100066 0.02867901963688 39.098 > 49 51 K 0.14793640904127 0.75367500525330 0.56773814419221 39.098 > 51 52 K 0.64793640904127 0.75367500525330 0.56773814419221 39.098 > 51 53 K 0.04292363342562 0.95993001696051 0.14045706041558 39.098 > 53 54 K 0.54292363342562 0.95993001696051 0.14045706041558 39.098 > 53 55 K 0.12131353140418 0.06369736976677 0.70337434647497 39.098 > 55 56 K 0.62131353140418 0.06369736976677 0.70337434647497 39.098 > 55 57 K 0.05612979114039 0.97088661955624 0.41889121716784 39.098 > 57 58 K 0.55612979114039 0.97088661955624 0.41889121716784 39.098 > 57 59 K 0.04790179969358 0.26127155899934 0.52867901963688 39.098 > 59 60 K 0.54790179969358 0.26127155899934 0.52867901963688 39.098 > 59 61 K 0.04292363342562 0.54006998303949 0.64045706041558 39.098 > 61 62 K 0.54292363342562 0.54006998303949 0.64045706041558 39.098 > 61 63 K 0.05612979114039 0.52911338044376 0.91889121716784 39.098 > 63 64 K 0.55612979114039 0.52911338044376 0.91889121716784 39.098 > 63 65 Al 0.45523420345817 0.19667224296875 0.23258961742710 26.982 > 65 66 Al 0.95523420345817 0.19667224296875 0.23258961742710 26.982 > 65 67 Al 0.45523420345817 0.30332775703125 0.73258961742710 26.982 > 67 68 Al 0.95523420345817 0.30332775703125 0.73258961742710 26.982 > 67 69 Al 0.35636447208696 0.70292695007308 0.16216118540119 26.982 > 69 70 Al 0.85636447208696 0.70292695007308 0.16216118540119 26.982 > 69 71 Al 0.35636447208696 0.79707304992692 0.66216118540119 26.982 > 71 72 Al 0.85636447208696 0.79707304992692 0.66216118540119 26.982 > 71 73 Al 0.14363552791304 0.20292695007308 0.33783881459881 26.982 > 73 74 Al 0.64363552791304 0.20292695007308 0.33783881459881 26.982 > 73 75 Al 0.14363552791304 0.29707304992692 0.83783881459881 26.982 > 75 76 Al 0.64363552791304 0.29707304992692 0.83783881459881 26.982 > 75 77 Al 0.04476579654183 0.69667224296875 0.26741038257290 26.982 > 77 78 Al 0.54476579654183 0.69667224296875 0.26741038257290 26.982 > 77 79 Al 0.04476579654183 0.80332775703125 0.76741038257290 26.982 > 79 80 Al 0.54476579654183 0.80332775703125 0.76741038257290 26.982 > 79 81 O 0.44232168355545 0.11251626173877 0.09316551074272 15.999 > 81 82 O 0.94232168355545 0.11251626173877 0.09316551074272 15.999 > 81 83 O 0.45087817860937 0.76006238991311 0.21959540637238 15.999 > 83 84 O 0.95087817860936 0.76006238991311 0.21959540637238 15.999 > 83 85 O 0.44780363419427 0.11935336094687 0.36590667183331 15.999 > 85 86 O 0.94780363419427 0.11935336094687 0.36590667183331 15.999 > 85 87 O 0.44232168355545 0.38748373826123 0.59316551074272 15.999 > 87 88 O 0.94232168355545 0.38748373826123 0.59316551074272 15.999 > 87 89 O 0.38933309734337 0.30742236696003 0.19627471267655 15.999 > 89 90 O 0.88933309734337 0.30742236696003 0.19627471267655 15.999 > 89 91 O 0.45087817860937 0.73993761008689 0.71959540637237 15.999 > 91 92 O 0.95087817860936 0.73993761008689 0.71959540637237 15.999 > 91 93 O 0.44780363419427 0.38064663905313 0.86590667183331 15.999 > 93 94 O 0.94780363419427 0.38064663905313 0.86590667183331 15.999 > 93 95 O 0.34617223694482 0.61889992062830 0.29032164929845 15.999 > 95 96 O 0.84617223694482 0.61889992062830 0.29032164929845 15.999 > 95 97 O 0.38933309734337 0.19257763303997 0.69627471267655 15.999 > 97 98 O 0.88933309734337 0.19257763303997 0.69627471267655 15.999 > 97 99 O 0.29253216504586 0.81815844004679 0.12401476851261 15.999 > 99 100 O 0.79253216504586 0.81815844004679 0.12401476851261 15.999 > 99 101 O 0.34118652243955 0.87875762753500 0.52029399791446 15.999 > 101 102 O 0.84118652243955 0.87875762753500 0.52029399791446 15.999 > 101 103 O 0.34617223694482 0.88110007937170 0.79032164929844 15.999 > 103 104 O 0.84617223694482 0.88110007937170 0.79032164929844 15.999 > 103 105 O 0.29253216504586 0.68184155995321 0.62401476851261 15.999 > 105 106 O 0.79253216504586 0.68184155995321 0.62401476851261 15.999 > 105 107 O 0.15881347756045 0.37875762753500 0.97970600208554 15.999 > 107 108 O 0.65881347756045 0.37875762753500 0.97970600208554 15.999 > 107 109 O 0.34118652243955 0.62124237246500 0.02029399791446 15.999 > 109 110 O 0.84118652243955 0.62124237246500 0.02029399791446 15.999 > 109 111 O 0.20746783495414 0.31815844004679 0.37598523148739 15.999 > 111 112 O 0.70746783495414 0.31815844004679 0.37598523148739 15.999 > 111 113 O 0.15382776305519 0.11889992062830 0.20967835070155 15.999 > 113 114 O 0.65382776305518 0.11889992062830 0.20967835070155 15.999 > 113 115 O 0.15881347756045 0.12124237246500 0.47970600208554 15.999 > 115 116 O 0.65881347756045 0.12124237246500 0.47970600208554 15.999 > 115 117 O 0.20746783495414 0.18184155995321 0.87598523148739 15.999 > 117 118 O 0.70746783495414 0.18184155995321 0.87598523148739 15.999 > 117 119 O 0.11066690265663 0.80742236696003 0.30372528732345 15.999 > 119 120 O 0.61066690265663 0.80742236696003 0.30372528732345 15.999 > 119 121 O 0.15382776305519 0.38110007937170 0.70967835070156 15.999 > 121 122 O 0.65382776305518 0.38110007937170 0.70967835070156 15.999 > 121 123 O 0.05219636580573 0.61935336094687 0.13409332816669 15.999 > 123 124 O 0.55219636580573 0.61935336094687 0.13409332816669 15.999 > 123 125 O 0.04912182139063 0.26006238991311 0.28040459362762 15.999 > 125 126 O 0.54912182139064 0.26006238991311 0.28040459362762 15.999 > 125 127 O 0.11066690265663 0.69257763303997 0.80372528732345 15.999 > 127 128 O 0.61066690265663 0.69257763303997 0.80372528732345 15.999 > 127 129 O 0.05767831644455 0.61251626173877 0.40683448925728 15.999 > 129 130 O 0.55767831644455 0.61251626173877 0.40683448925728 15.999 > 129 131 O 0.05219636580573 0.88064663905313 0.63409332816669 15.999 > 131 132 O 0.55219636580573 0.88064663905313 0.63409332816669 15.999 > 131 133 O 0.04912182139063 0.23993761008689 0.78040459362763 15.999 > 133 134 O 0.54912182139064 0.23993761008689 0.78040459362763 15.999 > 133 135 O 0.05767831644455 0.88748373826123 0.90683448925728 15.999 > 135 136 O 0.55767831644455 0.88748373826123 0.90683448925728 15.999 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9035686 0.0000000 -0.0062833 0.0000000 2.9398492 0.0000000 -0.0062851 0.0000000 2.9089928 -------------------------- Born effective charges -------------------------- 1 K 1.0258513 -0.0301793 -0.0694023 -0.0433026 1.2701948 0.0304440 -0.0644293 0.0565670 1.0470589 2 K 1.0110061 0.0439471 0.0178149 0.0359181 1.2821422 0.0180479 0.0135175 0.0045219 1.0703656 3 K 1.1335908 -0.0429177 -0.0665908 -0.0664906 0.9829364 0.1824043 -0.0792173 0.1837005 1.3263380 4 K 1.0258513 0.0301793 -0.0694023 0.0433026 1.2701948 -0.0304440 -0.0644293 -0.0565670 1.0470589 5 K 1.0266586 0.1169914 -0.0242714 0.1329063 1.2638886 0.1225800 -0.0330555 0.1165546 1.1150534 6 K 1.0110061 -0.0439471 0.0178149 -0.0359181 1.2821422 -0.0180479 0.0135175 -0.0045219 1.0703656 7 K 1.1996791 -0.0297375 -0.0178849 -0.0298415 0.9560804 0.0158569 -0.0172325 0.0294252 1.1811791 8 K 1.1335908 0.0429177 -0.0665908 0.0664906 0.9829364 -0.1824043 -0.0792173 -0.1837005 1.3263380 9 K 1.0847104 0.1198965 0.0936377 0.1429886 1.2573254 0.0402199 0.1110550 0.0390564 1.0130672 10 K 1.0190764 -0.0873152 -0.0045931 -0.0693900 1.2549617 -0.0469567 -0.0034794 -0.0491044 1.1134207 11 K 1.0266586 -0.1169914 -0.0242714 -0.1329063 1.2638886 -0.1225800 -0.0330555 -0.1165546 1.1150534 12 K 1.2307114 0.0412884 0.0003830 0.0554474 0.9254037 -0.0387529 0.0060172 -0.0405605 1.1759439 13 K 1.1996791 0.0297375 -0.0178849 0.0298415 0.9560804 -0.0158569 -0.0172325 -0.0294252 1.1811791 14 K 1.2307114 -0.0412884 0.0003830 -0.0554474 0.9254037 0.0387529 0.0060172 0.0405605 1.1759439 15 K 1.0847104 -0.1198965 0.0936377 -0.1429886 1.2573254 -0.0402199 0.1110550 -0.0390564 1.0130672 16 K 1.0190764 0.0873152 -0.0045931 0.0693900 1.2549617 0.0469567 -0.0034794 0.0491044 1.1134207 17 K 1.0190764 0.0873152 -0.0045931 0.0693900 1.2549617 0.0469567 -0.0034794 0.0491044 1.1134207 18 K 1.0847104 -0.1198965 0.0936377 -0.1429886 1.2573254 -0.0402199 0.1110550 -0.0390564 1.0130672 19 K 1.2307114 -0.0412884 0.0003830 -0.0554474 0.9254037 0.0387529 0.0060172 0.0405605 1.1759439 20 K 1.1996791 0.0297375 -0.0178849 0.0298415 0.9560804 -0.0158569 -0.0172325 -0.0294252 1.1811791 21 K 1.2307114 0.0412884 0.0003830 0.0554474 0.9254037 -0.0387529 0.0060172 -0.0405605 1.1759439 22 K 1.0266586 -0.1169914 -0.0242714 -0.1329063 1.2638886 -0.1225800 -0.0330555 -0.1165546 1.1150534 23 K 1.0190764 -0.0873152 -0.0045931 -0.0693900 1.2549617 -0.0469567 -0.0034794 -0.0491044 1.1134207 24 K 1.0847104 0.1198965 0.0936377 0.1429886 1.2573254 0.0402199 0.1110550 0.0390564 1.0130672 25 K 1.1335908 0.0429177 -0.0665908 0.0664906 0.9829364 -0.1824043 -0.0792173 -0.1837005 1.3263380 26 K 1.1996791 -0.0297375 -0.0178849 -0.0298415 0.9560804 0.0158569 -0.0172325 0.0294252 1.1811791 27 K 1.0110061 -0.0439471 0.0178149 -0.0359181 1.2821422 -0.0180479 0.0135175 -0.0045219 1.0703656 28 K 1.0266586 0.1169914 -0.0242714 0.1329063 1.2638886 0.1225800 -0.0330555 0.1165546 1.1150534 29 K 1.0258513 0.0301793 -0.0694023 0.0433026 1.2701948 -0.0304440 -0.0644293 -0.0565670 1.0470589 30 K 1.1335908 -0.0429177 -0.0665908 -0.0664906 0.9829364 0.1824043 -0.0792173 0.1837005 1.3263380 31 K 1.0110061 0.0439471 0.0178149 0.0359181 1.2821422 0.0180479 0.0135175 0.0045219 1.0703656 32 K 1.0258513 -0.0301793 -0.0694023 -0.0433026 1.2701948 0.0304440 -0.0644293 0.0565670 1.0470589 33 Al 2.1736572 -0.0071147 0.0290545 -0.0981656 2.1693799 0.0136601 0.0227364 0.0165399 2.2587495 34 Al 2.1736572 0.0071147 0.0290545 0.0981656 2.1693799 -0.0136601 0.0227364 -0.0165399 2.2587495 35 Al 2.1310794 -0.0141197 0.0776677 -0.0956215 2.2412505 -0.0509985 0.0794299 0.0275222 2.2402121 36 Al 2.1310794 0.0141197 0.0776677 0.0956215 2.2412505 0.0509985 0.0794299 -0.0275222 2.2402121 37 Al 2.1310794 0.0141197 0.0776677 0.0956215 2.2412505 0.0509985 0.0794299 -0.0275222 2.2402121 38 Al 2.1310794 -0.0141197 0.0776677 -0.0956215 2.2412505 -0.0509985 0.0794299 0.0275222 2.2402121 39 Al 2.1736572 0.0071147 0.0290545 0.0981656 2.1693799 -0.0136601 0.0227364 -0.0165399 2.2587495 40 Al 2.1736572 -0.0071147 0.0290545 -0.0981656 2.1693799 0.0136601 0.0227364 0.0165399 2.2587495 41 O -1.6494220 0.0307450 0.0197348 0.0445045 -1.9762934 -0.3594680 0.0239074 -0.2772718 -2.1233437 42 O -2.4865068 0.0307404 -0.3341259 0.0446813 -1.6011559 -0.0180195 -0.2732625 -0.0310732 -1.6302625 43 O -1.7041370 -0.0879267 0.2328043 -0.1030002 -1.9776378 0.3107784 0.1857654 0.2271933 -2.0816422 44 O -1.6494220 -0.0307450 0.0197348 -0.0445045 -1.9762934 0.3594680 0.0239074 0.2772718 -2.1233437 45 O -1.9024680 0.3062277 -0.1026831 0.3498176 -2.1005034 0.0910704 -0.0935227 0.0885884 -1.7076900 46 O -2.4865068 -0.0307404 -0.3341259 -0.0446813 -1.6011559 0.0180195 -0.2732625 0.0310732 -1.6302625 47 O -1.7041370 0.0879267 0.2328043 0.1030002 -1.9776378 -0.3107784 0.1857654 -0.2271933 -2.0816422 48 O -1.6941978 -0.1254999 0.2285025 -0.0885139 -1.9822739 0.2406409 0.1995820 0.2096700 -2.1193806 49 O -1.9024680 -0.3062277 -0.1026831 -0.3498176 -2.1005034 -0.0910704 -0.0935227 -0.0885884 -1.7076900 50 O -1.9049166 0.2815279 -0.1288476 0.2983463 -2.0554046 0.0976752 -0.1028766 0.0878087 -1.7686970 51 O -1.6943723 -0.0579874 0.0487998 -0.0254015 -1.9102946 0.2292851 0.0250648 0.2200568 -2.1103725 52 O -1.6941978 0.1254999 0.2285025 0.0885139 -1.9822739 -0.2406409 0.1995820 -0.2096700 -2.1193806 53 O -1.9049166 -0.2815279 -0.1288476 -0.2983463 -2.0554046 -0.0976752 -0.1028766 -0.0878087 -1.7686970 54 O -1.6943723 0.0579874 0.0487998 0.0254015 -1.9102946 -0.2292851 0.0250648 -0.2200568 -2.1103725 55 O -1.6943723 0.0579874 0.0487998 0.0254015 -1.9102946 -0.2292851 0.0250648 -0.2200568 -2.1103725 56 O -1.9049166 -0.2815279 -0.1288476 -0.2983463 -2.0554046 -0.0976752 -0.1028766 -0.0878087 -1.7686970 57 O -1.6941978 0.1254999 0.2285025 0.0885139 -1.9822739 -0.2406409 0.1995820 -0.2096700 -2.1193806 58 O -1.6943723 -0.0579874 0.0487998 -0.0254015 -1.9102946 0.2292851 0.0250648 0.2200568 -2.1103725 59 O -1.9049166 0.2815279 -0.1288476 0.2983463 -2.0554046 0.0976752 -0.1028766 0.0878087 -1.7686970 60 O -1.9024680 -0.3062277 -0.1026831 -0.3498176 -2.1005034 -0.0910704 -0.0935227 -0.0885884 -1.7076900 61 O -1.6941978 -0.1254999 0.2285025 -0.0885139 -1.9822739 0.2406409 0.1995820 0.2096700 -2.1193806 62 O -1.7041370 0.0879267 0.2328043 0.1030002 -1.9776378 -0.3107784 0.1857654 -0.2271933 -2.0816422 63 O -2.4865068 -0.0307404 -0.3341259 -0.0446813 -1.6011559 0.0180195 -0.2732625 0.0310732 -1.6302625 64 O -1.9024680 0.3062277 -0.1026831 0.3498176 -2.1005034 0.0910704 -0.0935227 0.0885884 -1.7076900 65 O -1.6494220 -0.0307450 0.0197348 -0.0445045 -1.9762934 0.3594680 0.0239074 0.2772718 -2.1233437 66 O -1.7041370 -0.0879267 0.2328043 -0.1030002 -1.9776378 0.3107784 0.1857654 0.2271933 -2.0816422 67 O -2.4865068 0.0307404 -0.3341259 0.0446813 -1.6011559 -0.0180195 -0.2732625 -0.0310732 -1.6302625 68 O -1.6494220 0.0307450 0.0197348 0.0445045 -1.9762934 -0.3594680 0.0239074 -0.2772718 -2.1233437 ---------------------------------------------------------------------------- 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 19, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 23, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 83, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 89, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 95, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 99, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 101, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (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 2026-01-09 03:36:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:36:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.506898580182087 0.000000000000000 0.000000000000000 b 0.000000000000000 12.208935110000001 0.000000000000000 c -3.303030431081374 0.000000000000000 10.542739827119577 Atomic positions (fractional): 1 K 0.88774041771922 0.47088661955624 0.08110878283216 39.098 2 K 0.91415273314876 0.45993001696051 0.35954293958442 39.098 3 K 0.90419640061284 0.73872844100066 0.47132098036312 39.098 4 K 0.88774041771922 0.02911338044376 0.58110878283216 39.098 5 K 0.75737293719163 0.93630263023324 0.29662565352503 39.098 6 K 0.91415273314876 0.04006998303949 0.85954293958442 39.098 7 K 0.70412718191747 0.24632499474670 0.43226185580779 39.098 8 K 0.90419640061284 0.76127155899934 0.97132098036312 39.098 9 K 0.57287314868651 0.46484324303439 0.14176081430007 39.098 10 K 0.66682817205985 0.51596577252102 0.49305993159429 39.098 11 K 0.75737293719163 0.56369736976676 0.79662565352503 39.098 12 K 0.49523078588594 0.23012216927061 0.13146155994024 39.098 13 K 0.70412718191747 0.25367500525330 0.93226185580779 39.098 14 K 0.50476921411406 0.73012216927061 0.36853844005976 39.098 15 K 0.57287314868651 0.03515675696561 0.64176081430007 39.098 16 K 0.33317182794015 0.01596577252102 0.00694006840571 39.098 17 K 0.66682817205985 0.98403422747898 0.99305993159429 39.098 18 K 0.42712685131349 0.96484324303439 0.35823918569994 39.098 19 K 0.49523078588594 0.26987783072939 0.63146155994024 39.098 20 K 0.29587281808253 0.74632499474670 0.06773814419221 39.098 21 K 0.50476921411406 0.76987783072939 0.86853844005976 39.098 22 K 0.24262706280837 0.43630263023324 0.20337434647497 39.098 23 K 0.33317182794015 0.48403422747898 0.50694006840571 39.098 24 K 0.42712685131349 0.53515675696561 0.85823918569993 39.098 25 K 0.09580359938716 0.23872844100066 0.02867901963688 39.098 26 K 0.29587281808253 0.75367500525330 0.56773814419221 39.098 27 K 0.08584726685124 0.95993001696051 0.14045706041558 39.098 28 K 0.24262706280837 0.06369736976677 0.70337434647497 39.098 29 K 0.11225958228078 0.97088661955624 0.41889121716784 39.098 30 K 0.09580359938716 0.26127155899934 0.52867901963688 39.098 31 K 0.08584726685124 0.54006998303949 0.64045706041558 39.098 32 K 0.11225958228078 0.52911338044376 0.91889121716784 39.098 33 Al 0.91046840691634 0.19667224296875 0.23258961742710 26.982 34 Al 0.91046840691634 0.30332775703125 0.73258961742710 26.982 35 Al 0.71272894417391 0.70292695007308 0.16216118540119 26.982 36 Al 0.71272894417391 0.79707304992692 0.66216118540119 26.982 37 Al 0.28727105582609 0.20292695007308 0.33783881459881 26.982 38 Al 0.28727105582609 0.29707304992692 0.83783881459881 26.982 39 Al 0.08953159308366 0.69667224296875 0.26741038257290 26.982 40 Al 0.08953159308366 0.80332775703125 0.76741038257290 26.982 41 O 0.88464336711090 0.11251626173877 0.09316551074272 15.999 42 O 0.90175635721873 0.76006238991311 0.21959540637238 15.999 43 O 0.89560726838854 0.11935336094687 0.36590667183331 15.999 44 O 0.88464336711090 0.38748373826123 0.59316551074272 15.999 45 O 0.77866619468674 0.30742236696003 0.19627471267655 15.999 46 O 0.90175635721873 0.73993761008689 0.71959540637237 15.999 47 O 0.89560726838854 0.38064663905313 0.86590667183331 15.999 48 O 0.69234447388963 0.61889992062830 0.29032164929845 15.999 49 O 0.77866619468674 0.19257763303997 0.69627471267655 15.999 50 O 0.58506433009173 0.81815844004679 0.12401476851261 15.999 51 O 0.68237304487909 0.87875762753500 0.52029399791446 15.999 52 O 0.69234447388963 0.88110007937170 0.79032164929844 15.999 53 O 0.58506433009173 0.68184155995321 0.62401476851261 15.999 54 O 0.31762695512091 0.37875762753500 0.97970600208554 15.999 55 O 0.68237304487909 0.62124237246500 0.02029399791446 15.999 56 O 0.41493566990827 0.31815844004679 0.37598523148739 15.999 57 O 0.30765552611037 0.11889992062830 0.20967835070155 15.999 58 O 0.31762695512091 0.12124237246500 0.47970600208554 15.999 59 O 0.41493566990827 0.18184155995321 0.87598523148739 15.999 60 O 0.22133380531326 0.80742236696003 0.30372528732345 15.999 61 O 0.30765552611037 0.38110007937170 0.70967835070156 15.999 62 O 0.10439273161146 0.61935336094687 0.13409332816669 15.999 63 O 0.09824364278127 0.26006238991311 0.28040459362762 15.999 64 O 0.22133380531326 0.69257763303997 0.80372528732345 15.999 65 O 0.11535663288910 0.61251626173877 0.40683448925728 15.999 66 O 0.10439273161146 0.88064663905313 0.63409332816669 15.999 67 O 0.09824364278127 0.23993761008689 0.78040459362763 15.999 68 O 0.11535663288910 0.88748373826123 0.90683448925728 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 19.013797160364174 0.000000000000000 0.000000000000000 b 0.000000000000000 12.208935110000001 0.000000000000000 c -3.303030431081374 0.000000000000000 10.542739827119577 Atomic positions (fractional): 1 K 0.44387020885961 0.47088661955624 0.08110878283216 39.098 > 1 2 K 0.94387020885961 0.47088661955624 0.08110878283216 39.098 > 1 3 K 0.45707636657438 0.45993001696051 0.35954293958442 39.098 > 3 4 K 0.95707636657438 0.45993001696051 0.35954293958442 39.098 > 3 5 K 0.45209820030642 0.73872844100066 0.47132098036312 39.098 > 5 6 K 0.95209820030642 0.73872844100066 0.47132098036312 39.098 > 5 7 K 0.44387020885961 0.02911338044376 0.58110878283216 39.098 > 7 8 K 0.94387020885961 0.02911338044376 0.58110878283216 39.098 > 7 9 K 0.37868646859582 0.93630263023324 0.29662565352503 39.098 > 9 10 K 0.87868646859582 0.93630263023324 0.29662565352503 39.098 > 9 11 K 0.45707636657438 0.04006998303949 0.85954293958442 39.098 > 11 12 K 0.95707636657438 0.04006998303949 0.85954293958442 39.098 > 11 13 K 0.35206359095873 0.24632499474670 0.43226185580779 39.098 > 13 14 K 0.85206359095873 0.24632499474670 0.43226185580779 39.098 > 13 15 K 0.45209820030642 0.76127155899934 0.97132098036312 39.098 > 15 16 K 0.95209820030642 0.76127155899934 0.97132098036312 39.098 > 15 17 K 0.28643657434325 0.46484324303439 0.14176081430007 39.098 > 17 18 K 0.78643657434325 0.46484324303439 0.14176081430007 39.098 > 17 19 K 0.33341408602993 0.51596577252102 0.49305993159429 39.098 > 19 20 K 0.83341408602993 0.51596577252102 0.49305993159429 39.098 > 19 21 K 0.37868646859582 0.56369736976676 0.79662565352503 39.098 > 21 22 K 0.87868646859582 0.56369736976676 0.79662565352503 39.098 > 21 23 K 0.24761539294297 0.23012216927061 0.13146155994024 39.098 > 23 24 K 0.74761539294297 0.23012216927061 0.13146155994024 39.098 > 23 25 K 0.35206359095873 0.25367500525330 0.93226185580779 39.098 > 25 26 K 0.85206359095873 0.25367500525330 0.93226185580779 39.098 > 25 27 K 0.25238460705703 0.73012216927061 0.36853844005976 39.098 > 27 28 K 0.75238460705703 0.73012216927061 0.36853844005976 39.098 > 27 29 K 0.28643657434325 0.03515675696561 0.64176081430007 39.098 > 29 30 K 0.78643657434325 0.03515675696561 0.64176081430007 39.098 > 29 31 K 0.16658591397007 0.01596577252102 0.00694006840571 39.098 > 31 32 K 0.66658591397007 0.01596577252102 0.00694006840571 39.098 > 31 33 K 0.33341408602993 0.98403422747898 0.99305993159429 39.098 > 33 34 K 0.83341408602993 0.98403422747898 0.99305993159429 39.098 > 33 35 K 0.21356342565674 0.96484324303439 0.35823918569994 39.098 > 35 36 K 0.71356342565675 0.96484324303439 0.35823918569994 39.098 > 35 37 K 0.24761539294297 0.26987783072939 0.63146155994024 39.098 > 37 38 K 0.74761539294297 0.26987783072939 0.63146155994024 39.098 > 37 39 K 0.14793640904127 0.74632499474670 0.06773814419221 39.098 > 39 40 K 0.64793640904127 0.74632499474670 0.06773814419221 39.098 > 39 41 K 0.25238460705703 0.76987783072939 0.86853844005976 39.098 > 41 42 K 0.75238460705703 0.76987783072939 0.86853844005976 39.098 > 41 43 K 0.12131353140418 0.43630263023324 0.20337434647497 39.098 > 43 44 K 0.62131353140418 0.43630263023324 0.20337434647497 39.098 > 43 45 K 0.16658591397007 0.48403422747898 0.50694006840571 39.098 > 45 46 K 0.66658591397007 0.48403422747898 0.50694006840571 39.098 > 45 47 K 0.21356342565674 0.53515675696561 0.85823918569993 39.098 > 47 48 K 0.71356342565675 0.53515675696561 0.85823918569993 39.098 > 47 49 K 0.04790179969358 0.23872844100066 0.02867901963688 39.098 > 49 50 K 0.54790179969358 0.23872844100066 0.02867901963688 39.098 > 49 51 K 0.14793640904127 0.75367500525330 0.56773814419221 39.098 > 51 52 K 0.64793640904127 0.75367500525330 0.56773814419221 39.098 > 51 53 K 0.04292363342562 0.95993001696051 0.14045706041558 39.098 > 53 54 K 0.54292363342562 0.95993001696051 0.14045706041558 39.098 > 53 55 K 0.12131353140418 0.06369736976677 0.70337434647497 39.098 > 55 56 K 0.62131353140418 0.06369736976677 0.70337434647497 39.098 > 55 57 K 0.05612979114039 0.97088661955624 0.41889121716784 39.098 > 57 58 K 0.55612979114039 0.97088661955624 0.41889121716784 39.098 > 57 59 K 0.04790179969358 0.26127155899934 0.52867901963688 39.098 > 59 60 K 0.54790179969358 0.26127155899934 0.52867901963688 39.098 > 59 61 K 0.04292363342562 0.54006998303949 0.64045706041558 39.098 > 61 62 K 0.54292363342562 0.54006998303949 0.64045706041558 39.098 > 61 63 K 0.05612979114039 0.52911338044376 0.91889121716784 39.098 > 63 64 K 0.55612979114039 0.52911338044376 0.91889121716784 39.098 > 63 65 Al 0.45523420345817 0.19667224296875 0.23258961742710 26.982 > 65 66 Al 0.95523420345817 0.19667224296875 0.23258961742710 26.982 > 65 67 Al 0.45523420345817 0.30332775703125 0.73258961742710 26.982 > 67 68 Al 0.95523420345817 0.30332775703125 0.73258961742710 26.982 > 67 69 Al 0.35636447208696 0.70292695007308 0.16216118540119 26.982 > 69 70 Al 0.85636447208696 0.70292695007308 0.16216118540119 26.982 > 69 71 Al 0.35636447208696 0.79707304992692 0.66216118540119 26.982 > 71 72 Al 0.85636447208696 0.79707304992692 0.66216118540119 26.982 > 71 73 Al 0.14363552791304 0.20292695007308 0.33783881459881 26.982 > 73 74 Al 0.64363552791304 0.20292695007308 0.33783881459881 26.982 > 73 75 Al 0.14363552791304 0.29707304992692 0.83783881459881 26.982 > 75 76 Al 0.64363552791304 0.29707304992692 0.83783881459881 26.982 > 75 77 Al 0.04476579654183 0.69667224296875 0.26741038257290 26.982 > 77 78 Al 0.54476579654183 0.69667224296875 0.26741038257290 26.982 > 77 79 Al 0.04476579654183 0.80332775703125 0.76741038257290 26.982 > 79 80 Al 0.54476579654183 0.80332775703125 0.76741038257290 26.982 > 79 81 O 0.44232168355545 0.11251626173877 0.09316551074272 15.999 > 81 82 O 0.94232168355545 0.11251626173877 0.09316551074272 15.999 > 81 83 O 0.45087817860937 0.76006238991311 0.21959540637238 15.999 > 83 84 O 0.95087817860936 0.76006238991311 0.21959540637238 15.999 > 83 85 O 0.44780363419427 0.11935336094687 0.36590667183331 15.999 > 85 86 O 0.94780363419427 0.11935336094687 0.36590667183331 15.999 > 85 87 O 0.44232168355545 0.38748373826123 0.59316551074272 15.999 > 87 88 O 0.94232168355545 0.38748373826123 0.59316551074272 15.999 > 87 89 O 0.38933309734337 0.30742236696003 0.19627471267655 15.999 > 89 90 O 0.88933309734337 0.30742236696003 0.19627471267655 15.999 > 89 91 O 0.45087817860937 0.73993761008689 0.71959540637237 15.999 > 91 92 O 0.95087817860936 0.73993761008689 0.71959540637237 15.999 > 91 93 O 0.44780363419427 0.38064663905313 0.86590667183331 15.999 > 93 94 O 0.94780363419427 0.38064663905313 0.86590667183331 15.999 > 93 95 O 0.34617223694482 0.61889992062830 0.29032164929845 15.999 > 95 96 O 0.84617223694482 0.61889992062830 0.29032164929845 15.999 > 95 97 O 0.38933309734337 0.19257763303997 0.69627471267655 15.999 > 97 98 O 0.88933309734337 0.19257763303997 0.69627471267655 15.999 > 97 99 O 0.29253216504586 0.81815844004679 0.12401476851261 15.999 > 99 100 O 0.79253216504586 0.81815844004679 0.12401476851261 15.999 > 99 101 O 0.34118652243955 0.87875762753500 0.52029399791446 15.999 > 101 102 O 0.84118652243955 0.87875762753500 0.52029399791446 15.999 > 101 103 O 0.34617223694482 0.88110007937170 0.79032164929844 15.999 > 103 104 O 0.84617223694482 0.88110007937170 0.79032164929844 15.999 > 103 105 O 0.29253216504586 0.68184155995321 0.62401476851261 15.999 > 105 106 O 0.79253216504586 0.68184155995321 0.62401476851261 15.999 > 105 107 O 0.15881347756045 0.37875762753500 0.97970600208554 15.999 > 107 108 O 0.65881347756045 0.37875762753500 0.97970600208554 15.999 > 107 109 O 0.34118652243955 0.62124237246500 0.02029399791446 15.999 > 109 110 O 0.84118652243955 0.62124237246500 0.02029399791446 15.999 > 109 111 O 0.20746783495414 0.31815844004679 0.37598523148739 15.999 > 111 112 O 0.70746783495414 0.31815844004679 0.37598523148739 15.999 > 111 113 O 0.15382776305519 0.11889992062830 0.20967835070155 15.999 > 113 114 O 0.65382776305518 0.11889992062830 0.20967835070155 15.999 > 113 115 O 0.15881347756045 0.12124237246500 0.47970600208554 15.999 > 115 116 O 0.65881347756045 0.12124237246500 0.47970600208554 15.999 > 115 117 O 0.20746783495414 0.18184155995321 0.87598523148739 15.999 > 117 118 O 0.70746783495414 0.18184155995321 0.87598523148739 15.999 > 117 119 O 0.11066690265663 0.80742236696003 0.30372528732345 15.999 > 119 120 O 0.61066690265663 0.80742236696003 0.30372528732345 15.999 > 119 121 O 0.15382776305519 0.38110007937170 0.70967835070156 15.999 > 121 122 O 0.65382776305518 0.38110007937170 0.70967835070156 15.999 > 121 123 O 0.05219636580573 0.61935336094687 0.13409332816669 15.999 > 123 124 O 0.55219636580573 0.61935336094687 0.13409332816669 15.999 > 123 125 O 0.04912182139063 0.26006238991311 0.28040459362762 15.999 > 125 126 O 0.54912182139064 0.26006238991311 0.28040459362762 15.999 > 125 127 O 0.11066690265663 0.69257763303997 0.80372528732345 15.999 > 127 128 O 0.61066690265663 0.69257763303997 0.80372528732345 15.999 > 127 129 O 0.05767831644455 0.61251626173877 0.40683448925728 15.999 > 129 130 O 0.55767831644455 0.61251626173877 0.40683448925728 15.999 > 129 131 O 0.05219636580573 0.88064663905313 0.63409332816669 15.999 > 131 132 O 0.55219636580573 0.88064663905313 0.63409332816669 15.999 > 131 133 O 0.04912182139063 0.23993761008689 0.78040459362763 15.999 > 133 134 O 0.54912182139064 0.23993761008689 0.78040459362763 15.999 > 133 135 O 0.05767831644455 0.88748373826123 0.90683448925728 15.999 > 135 136 O 0.55767831644455 0.88748373826123 0.90683448925728 15.999 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9035686 0.0000000 -0.0062833 0.0000000 2.9398492 0.0000000 -0.0062851 0.0000000 2.9089928 -------------------------- Born effective charges -------------------------- 1 K 1.0258513 -0.0301793 -0.0694023 -0.0433026 1.2701948 0.0304440 -0.0644293 0.0565670 1.0470589 2 K 1.0110061 0.0439471 0.0178149 0.0359181 1.2821422 0.0180479 0.0135175 0.0045219 1.0703656 3 K 1.1335908 -0.0429177 -0.0665908 -0.0664906 0.9829364 0.1824043 -0.0792173 0.1837005 1.3263380 4 K 1.0258513 0.0301793 -0.0694023 0.0433026 1.2701948 -0.0304440 -0.0644293 -0.0565670 1.0470589 5 K 1.0266586 0.1169914 -0.0242714 0.1329063 1.2638886 0.1225800 -0.0330555 0.1165546 1.1150534 6 K 1.0110061 -0.0439471 0.0178149 -0.0359181 1.2821422 -0.0180479 0.0135175 -0.0045219 1.0703656 7 K 1.1996791 -0.0297375 -0.0178849 -0.0298415 0.9560804 0.0158569 -0.0172325 0.0294252 1.1811791 8 K 1.1335908 0.0429177 -0.0665908 0.0664906 0.9829364 -0.1824043 -0.0792173 -0.1837005 1.3263380 9 K 1.0847104 0.1198965 0.0936377 0.1429886 1.2573254 0.0402199 0.1110550 0.0390564 1.0130672 10 K 1.0190764 -0.0873152 -0.0045931 -0.0693900 1.2549617 -0.0469567 -0.0034794 -0.0491044 1.1134207 11 K 1.0266586 -0.1169914 -0.0242714 -0.1329063 1.2638886 -0.1225800 -0.0330555 -0.1165546 1.1150534 12 K 1.2307114 0.0412884 0.0003830 0.0554474 0.9254037 -0.0387529 0.0060172 -0.0405605 1.1759439 13 K 1.1996791 0.0297375 -0.0178849 0.0298415 0.9560804 -0.0158569 -0.0172325 -0.0294252 1.1811791 14 K 1.2307114 -0.0412884 0.0003830 -0.0554474 0.9254037 0.0387529 0.0060172 0.0405605 1.1759439 15 K 1.0847104 -0.1198965 0.0936377 -0.1429886 1.2573254 -0.0402199 0.1110550 -0.0390564 1.0130672 16 K 1.0190764 0.0873152 -0.0045931 0.0693900 1.2549617 0.0469567 -0.0034794 0.0491044 1.1134207 17 K 1.0190764 0.0873152 -0.0045931 0.0693900 1.2549617 0.0469567 -0.0034794 0.0491044 1.1134207 18 K 1.0847104 -0.1198965 0.0936377 -0.1429886 1.2573254 -0.0402199 0.1110550 -0.0390564 1.0130672 19 K 1.2307114 -0.0412884 0.0003830 -0.0554474 0.9254037 0.0387529 0.0060172 0.0405605 1.1759439 20 K 1.1996791 0.0297375 -0.0178849 0.0298415 0.9560804 -0.0158569 -0.0172325 -0.0294252 1.1811791 21 K 1.2307114 0.0412884 0.0003830 0.0554474 0.9254037 -0.0387529 0.0060172 -0.0405605 1.1759439 22 K 1.0266586 -0.1169914 -0.0242714 -0.1329063 1.2638886 -0.1225800 -0.0330555 -0.1165546 1.1150534 23 K 1.0190764 -0.0873152 -0.0045931 -0.0693900 1.2549617 -0.0469567 -0.0034794 -0.0491044 1.1134207 24 K 1.0847104 0.1198965 0.0936377 0.1429886 1.2573254 0.0402199 0.1110550 0.0390564 1.0130672 25 K 1.1335908 0.0429177 -0.0665908 0.0664906 0.9829364 -0.1824043 -0.0792173 -0.1837005 1.3263380 26 K 1.1996791 -0.0297375 -0.0178849 -0.0298415 0.9560804 0.0158569 -0.0172325 0.0294252 1.1811791 27 K 1.0110061 -0.0439471 0.0178149 -0.0359181 1.2821422 -0.0180479 0.0135175 -0.0045219 1.0703656 28 K 1.0266586 0.1169914 -0.0242714 0.1329063 1.2638886 0.1225800 -0.0330555 0.1165546 1.1150534 29 K 1.0258513 0.0301793 -0.0694023 0.0433026 1.2701948 -0.0304440 -0.0644293 -0.0565670 1.0470589 30 K 1.1335908 -0.0429177 -0.0665908 -0.0664906 0.9829364 0.1824043 -0.0792173 0.1837005 1.3263380 31 K 1.0110061 0.0439471 0.0178149 0.0359181 1.2821422 0.0180479 0.0135175 0.0045219 1.0703656 32 K 1.0258513 -0.0301793 -0.0694023 -0.0433026 1.2701948 0.0304440 -0.0644293 0.0565670 1.0470589 33 Al 2.1736572 -0.0071147 0.0290545 -0.0981656 2.1693799 0.0136601 0.0227364 0.0165399 2.2587495 34 Al 2.1736572 0.0071147 0.0290545 0.0981656 2.1693799 -0.0136601 0.0227364 -0.0165399 2.2587495 35 Al 2.1310794 -0.0141197 0.0776677 -0.0956215 2.2412505 -0.0509985 0.0794299 0.0275222 2.2402121 36 Al 2.1310794 0.0141197 0.0776677 0.0956215 2.2412505 0.0509985 0.0794299 -0.0275222 2.2402121 37 Al 2.1310794 0.0141197 0.0776677 0.0956215 2.2412505 0.0509985 0.0794299 -0.0275222 2.2402121 38 Al 2.1310794 -0.0141197 0.0776677 -0.0956215 2.2412505 -0.0509985 0.0794299 0.0275222 2.2402121 39 Al 2.1736572 0.0071147 0.0290545 0.0981656 2.1693799 -0.0136601 0.0227364 -0.0165399 2.2587495 40 Al 2.1736572 -0.0071147 0.0290545 -0.0981656 2.1693799 0.0136601 0.0227364 0.0165399 2.2587495 41 O -1.6494220 0.0307450 0.0197348 0.0445045 -1.9762934 -0.3594680 0.0239074 -0.2772718 -2.1233437 42 O -2.4865068 0.0307404 -0.3341259 0.0446813 -1.6011559 -0.0180195 -0.2732625 -0.0310732 -1.6302625 43 O -1.7041370 -0.0879267 0.2328043 -0.1030002 -1.9776378 0.3107784 0.1857654 0.2271933 -2.0816422 44 O -1.6494220 -0.0307450 0.0197348 -0.0445045 -1.9762934 0.3594680 0.0239074 0.2772718 -2.1233437 45 O -1.9024680 0.3062277 -0.1026831 0.3498176 -2.1005034 0.0910704 -0.0935227 0.0885884 -1.7076900 46 O -2.4865068 -0.0307404 -0.3341259 -0.0446813 -1.6011559 0.0180195 -0.2732625 0.0310732 -1.6302625 47 O -1.7041370 0.0879267 0.2328043 0.1030002 -1.9776378 -0.3107784 0.1857654 -0.2271933 -2.0816422 48 O -1.6941978 -0.1254999 0.2285025 -0.0885139 -1.9822739 0.2406409 0.1995820 0.2096700 -2.1193806 49 O -1.9024680 -0.3062277 -0.1026831 -0.3498176 -2.1005034 -0.0910704 -0.0935227 -0.0885884 -1.7076900 50 O -1.9049166 0.2815279 -0.1288476 0.2983463 -2.0554046 0.0976752 -0.1028766 0.0878087 -1.7686970 51 O -1.6943723 -0.0579874 0.0487998 -0.0254015 -1.9102946 0.2292851 0.0250648 0.2200568 -2.1103725 52 O -1.6941978 0.1254999 0.2285025 0.0885139 -1.9822739 -0.2406409 0.1995820 -0.2096700 -2.1193806 53 O -1.9049166 -0.2815279 -0.1288476 -0.2983463 -2.0554046 -0.0976752 -0.1028766 -0.0878087 -1.7686970 54 O -1.6943723 0.0579874 0.0487998 0.0254015 -1.9102946 -0.2292851 0.0250648 -0.2200568 -2.1103725 55 O -1.6943723 0.0579874 0.0487998 0.0254015 -1.9102946 -0.2292851 0.0250648 -0.2200568 -2.1103725 56 O -1.9049166 -0.2815279 -0.1288476 -0.2983463 -2.0554046 -0.0976752 -0.1028766 -0.0878087 -1.7686970 57 O -1.6941978 0.1254999 0.2285025 0.0885139 -1.9822739 -0.2406409 0.1995820 -0.2096700 -2.1193806 58 O -1.6943723 -0.0579874 0.0487998 -0.0254015 -1.9102946 0.2292851 0.0250648 0.2200568 -2.1103725 59 O -1.9049166 0.2815279 -0.1288476 0.2983463 -2.0554046 0.0976752 -0.1028766 0.0878087 -1.7686970 60 O -1.9024680 -0.3062277 -0.1026831 -0.3498176 -2.1005034 -0.0910704 -0.0935227 -0.0885884 -1.7076900 61 O -1.6941978 -0.1254999 0.2285025 -0.0885139 -1.9822739 0.2406409 0.1995820 0.2096700 -2.1193806 62 O -1.7041370 0.0879267 0.2328043 0.1030002 -1.9776378 -0.3107784 0.1857654 -0.2271933 -2.0816422 63 O -2.4865068 -0.0307404 -0.3341259 -0.0446813 -1.6011559 0.0180195 -0.2732625 0.0310732 -1.6302625 64 O -1.9024680 0.3062277 -0.1026831 0.3498176 -2.1005034 0.0910704 -0.0935227 0.0885884 -1.7076900 65 O -1.6494220 -0.0307450 0.0197348 -0.0445045 -1.9762934 0.3594680 0.0239074 0.2772718 -2.1233437 66 O -1.7041370 -0.0879267 0.2328043 -0.1030002 -1.9776378 0.3107784 0.1857654 0.2271933 -2.0816422 67 O -2.4865068 0.0307404 -0.3341259 0.0446813 -1.6011559 -0.0180195 -0.2732625 -0.0310732 -1.6302625 68 O -1.6494220 0.0307450 0.0197348 0.0445045 -1.9762934 -0.3594680 0.0239074 -0.2772718 -2.1233437 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 4 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.39, Number of G-points: 305, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 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 0.818 ( 0.000 0.000 0.000) 0.000 1.014 ( 0.000 0.000 0.000) 0.000 1.106 ( 0.000 0.000 0.000) 0.000 1.286 ( 0.000 0.000 0.000) 0.000 1.420 ( 0.000 0.000 0.000) 0.000 1.632 ( 0.000 0.000 0.000) 0.000 1.643 ( 0.000 0.000 0.000) 0.000 1.787 ( 0.000 0.000 0.000) 0.000 1.810 ( 0.000 0.000 0.000) 0.000 1.818 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.157 ( 0.000 0.000 0.000) 0.000 2.183 ( 0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.389 ( 0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.479 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.574 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.655 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.751 ( 0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 2.943 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.147 ( 0.000 0.000 0.000) 0.000 3.177 ( 0.000 0.000 0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.403 ( 0.000 0.000 0.000) 0.000 3.446 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.485 ( 0.000 0.000 0.000) 0.000 3.555 ( 0.000 0.000 0.000) 0.000 3.556 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 3.787 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 3.873 ( 0.000 0.000 0.000) 0.000 3.885 ( 0.000 0.000 0.000) 0.000 3.990 ( 0.000 0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 0.000) 0.000 4.044 ( 0.000 0.000 0.000) 0.000 4.089 ( 0.000 0.000 0.000) 0.000 4.113 ( 0.000 0.000 0.000) 0.000 4.146 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 4.268 ( 0.000 0.000 0.000) 0.000 4.282 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.358 ( 0.000 0.000 0.000) 0.000 4.425 ( 0.000 0.000 0.000) 0.000 4.431 ( 0.000 0.000 0.000) 0.000 4.440 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.526 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 4.701 ( 0.000 0.000 0.000) 0.000 4.716 ( 0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 4.928 ( 0.000 0.000 0.000) 0.000 4.949 ( 0.000 0.000 0.000) 0.000 4.982 ( 0.000 0.000 0.000) 0.000 4.990 ( 0.000 0.000 0.000) 0.000 5.122 ( 0.000 0.000 0.000) 0.000 5.202 ( 0.000 0.000 0.000) 0.000 5.214 ( 0.000 0.000 0.000) 0.000 5.218 ( 0.000 0.000 0.000) 0.000 5.284 ( 0.000 0.000 0.000) 0.000 5.327 ( 0.000 0.000 0.000) 0.000 5.371 ( 0.000 0.000 0.000) 0.000 5.373 ( 0.000 0.000 0.000) 0.000 5.437 ( 0.000 0.000 0.000) 0.000 5.487 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 5.599 ( 0.000 0.000 0.000) 0.000 5.627 ( 0.000 0.000 0.000) 0.000 5.636 ( 0.000 0.000 0.000) 0.000 5.694 ( 0.000 0.000 0.000) 0.000 5.741 ( 0.000 0.000 0.000) 0.000 5.827 ( 0.000 0.000 0.000) 0.000 5.895 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 5.967 ( 0.000 0.000 0.000) 0.000 6.037 ( 0.000 0.000 0.000) 0.000 6.087 ( 0.000 0.000 0.000) 0.000 6.090 ( 0.000 0.000 0.000) 0.000 6.222 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.395 ( 0.000 0.000 0.000) 0.000 6.410 ( 0.000 0.000 0.000) 0.000 6.502 ( 0.000 0.000 0.000) 0.000 6.554 ( 0.000 0.000 0.000) 0.000 6.560 ( 0.000 0.000 0.000) 0.000 6.625 ( 0.000 0.000 0.000) 0.000 6.641 ( 0.000 0.000 0.000) 0.000 6.748 ( 0.000 0.000 0.000) 0.000 6.790 ( 0.000 0.000 0.000) 0.000 6.827 ( 0.000 0.000 0.000) 0.000 6.912 ( 0.000 0.000 0.000) 0.000 6.968 ( 0.000 0.000 0.000) 0.000 7.002 ( 0.000 0.000 0.000) 0.000 7.062 ( 0.000 0.000 0.000) 0.000 7.069 ( 0.000 0.000 0.000) 0.000 7.137 ( 0.000 0.000 0.000) 0.000 7.148 ( 0.000 0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.379 ( 0.000 0.000 0.000) 0.000 7.408 ( 0.000 0.000 0.000) 0.000 7.421 ( 0.000 0.000 0.000) 0.000 7.568 ( 0.000 0.000 0.000) 0.000 7.606 ( 0.000 0.000 0.000) 0.000 7.712 ( 0.000 0.000 0.000) 0.000 7.744 ( 0.000 0.000 0.000) 0.000 8.305 ( 0.000 0.000 0.000) 0.000 8.319 ( 0.000 0.000 0.000) 0.000 8.574 ( 0.000 0.000 0.000) 0.000 8.581 ( 0.000 0.000 0.000) 0.000 8.710 ( 0.000 0.000 0.000) 0.000 8.736 ( 0.000 0.000 0.000) 0.000 8.745 ( 0.000 0.000 0.000) 0.000 8.871 ( 0.000 0.000 0.000) 0.000 8.967 ( 0.000 0.000 0.000) 0.000 9.081 ( 0.000 0.000 0.000) 0.000 9.165 ( 0.000 0.000 0.000) 0.000 9.200 ( 0.000 0.000 0.000) 0.000 9.541 ( 0.000 0.000 0.000) 0.000 9.701 ( 0.000 0.000 0.000) 0.000 10.087 ( 0.000 0.000 0.000) 0.000 10.103 ( 0.000 0.000 0.000) 0.000 10.135 ( 0.000 0.000 0.000) 0.000 10.500 ( 0.000 0.000 0.000) 0.000 10.707 ( 0.000 0.000 0.000) 0.000 10.776 ( 0.000 0.000 0.000) 0.000 11.122 ( 0.000 0.000 0.000) 0.000 11.129 ( 0.000 0.000 0.000) 0.000 11.184 ( 0.000 0.000 0.000) 0.000 11.267 ( 0.000 0.000 0.000) 0.000 11.325 ( 0.000 0.000 0.000) 0.000 11.512 ( 0.000 0.000 0.000) 0.000 11.535 ( 0.000 0.000 0.000) 0.000 11.653 ( 0.000 0.000 0.000) 0.000 11.872 ( 0.000 0.000 0.000) 0.000 11.891 ( 0.000 0.000 0.000) 0.000 11.920 ( 0.000 0.000 0.000) 0.000 12.135 ( 0.000 0.000 0.000) 0.000 12.154 ( 0.000 0.000 0.000) 0.000 12.281 ( 0.000 0.000 0.000) 0.000 12.474 ( 0.000 0.000 0.000) 0.000 12.504 ( 0.000 0.000 0.000) 0.000 12.636 ( 0.000 0.000 0.000) 0.000 12.925 ( 0.000 0.000 0.000) 0.000 12.931 ( 0.000 0.000 0.000) 0.000 13.043 ( 0.000 0.000 0.000) 0.000 14.281 ( 0.000 0.000 0.000) 0.000 14.444 ( 0.000 0.000 0.000) 0.000 14.484 ( 0.000 0.000 0.000) 0.000 14.737 ( 0.000 0.000 0.000) 0.000 17.065 ( 0.000 0.000 0.000) 0.000 17.095 ( 0.000 0.000 0.000) 0.000 17.098 ( 0.000 0.000 0.000) 0.000 17.266 ( 0.000 0.000 0.000) 0.000 18.173 ( 0.000 0.000 0.000) 0.000 18.192 ( 0.000 0.000 0.000) 0.000 18.333 ( 0.000 0.000 0.000) 0.000 18.351 ( 0.000 0.000 0.000) 0.000 18.773 ( 0.000 0.000 0.000) 0.000 18.881 ( 0.000 0.000 0.000) 0.000 18.978 ( 0.000 0.000 0.000) 0.000 19.004 ( 0.000 0.000 0.000) 0.000 19.028 ( 0.000 0.000 0.000) 0.000 19.032 ( 0.000 0.000 0.000) 0.000 19.052 ( 0.000 0.000 0.000) 0.000 19.121 ( 0.000 0.000 0.000) 0.000 19.154 ( 0.000 0.000 0.000) 0.000 19.166 ( 0.000 0.000 0.000) 0.000 19.218 ( 0.000 0.000 0.000) 0.000 19.337 ( 0.000 0.000 0.000) 0.000 19.368 ( 0.000 0.000 0.000) 0.000 19.400 ( 0.000 0.000 0.000) 0.000 19.600 ( 0.000 0.000 0.000) 0.000 19.954 ( 0.000 0.000 0.000) 0.000 20.164 ( 0.000 0.000 0.000) 0.000 20.254 ( 0.000 0.000 0.000) 0.000 20.549 ( 0.000 0.000 0.000) 0.000 21.037 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.17 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 18.729 0.000 5.025) 19.391 0.495 ( 24.185 0.000 10.019) 26.178 0.887 ( 23.932 0.000 11.645) 26.615 0.973 ( 28.373 0.000 7.030) 29.231 1.060 ( 5.294 0.000 -2.201) 5.734 1.150 ( -1.149 0.000 2.685) 2.920 1.357 ( 4.956 0.000 7.930) 9.351 1.497 ( 7.083 0.000 0.519) 7.102 1.618 ( -0.847 0.000 2.907) 3.028 1.689 ( 5.463 0.000 -0.264) 5.469 1.824 ( 1.834 0.000 8.485) 8.681 1.876 ( 5.498 0.000 0.778) 5.553 1.904 ( 9.412 0.000 -3.419) 10.014 2.073 ( 3.624 0.000 0.647) 3.682 2.129 ( -0.895 0.000 0.245) 0.928 2.159 ( 2.349 0.000 1.218) 2.646 2.193 ( 1.051 0.000 -0.196) 1.070 2.248 ( -2.106 0.000 -10.912) 11.114 2.319 ( 1.961 0.000 -2.615) 3.268 2.396 ( -10.332 0.000 -4.388) 11.225 2.419 ( -3.366 0.000 0.672) 3.432 2.486 ( 2.101 0.000 -3.760) 4.307 2.557 ( -1.664 0.000 -3.956) 4.292 2.615 ( 4.282 0.000 2.239) 4.832 2.633 ( -4.544 0.000 -1.462) 4.773 2.690 ( 5.102 0.000 1.138) 5.228 2.731 ( 2.377 0.000 1.853) 3.014 2.741 ( -2.545 0.000 2.917) 3.871 2.817 ( 6.111 0.000 0.009) 6.111 2.821 ( -0.037 0.000 1.202) 1.203 2.894 ( -2.807 0.000 -3.661) 4.613 2.969 ( -2.445 0.000 -2.319) 3.370 2.987 ( 1.080 0.000 2.575) 2.792 3.048 ( 0.557 0.000 -2.550) 2.610 3.095 ( -4.026 0.000 0.778) 4.100 3.167 ( 0.103 0.000 -2.406) 2.408 3.209 ( -4.432 0.000 4.077) 6.022 3.213 ( 3.526 0.000 -0.005) 3.526 3.305 ( -6.564 0.000 -2.934) 7.190 3.322 ( -0.609 0.000 -4.640) 4.680 3.326 ( -3.558 0.000 0.008) 3.558 3.353 ( -8.942 0.000 -1.326) 9.040 3.450 ( 6.099 0.000 -4.914) 7.832 3.514 ( -0.566 0.000 -0.530) 0.776 3.547 ( 2.199 0.000 -8.217) 8.506 3.577 ( -5.574 0.000 -1.273) 5.718 3.606 ( -2.782 0.000 -4.516) 5.304 3.650 ( -4.949 0.000 0.622) 4.988 3.674 ( -4.265 0.000 -1.023) 4.386 3.679 ( -0.396 0.000 -3.441) 3.463 3.724 ( -1.847 0.000 1.048) 2.124 3.777 ( 0.432 0.000 4.118) 4.141 3.831 ( -1.841 0.000 3.720) 4.150 3.862 ( -7.034 0.000 2.105) 7.342 3.873 ( -3.335 0.000 -1.663) 3.727 3.996 ( -1.616 0.000 6.002) 6.216 3.998 ( -5.214 0.000 -4.119) 6.644 4.035 ( 2.518 0.000 -2.516) 3.559 4.040 ( -1.267 0.000 0.120) 1.273 4.068 ( 7.602 0.000 1.145) 7.687 4.128 ( 0.378 0.000 2.923) 2.948 4.184 ( -2.167 0.000 -0.236) 2.179 4.202 ( 0.868 0.000 3.058) 3.179 4.227 ( -0.123 0.000 -2.900) 2.902 4.340 ( -2.180 0.000 0.612) 2.265 4.353 ( 5.443 0.000 2.650) 6.054 4.384 ( -2.013 0.000 -0.920) 2.214 4.406 ( 2.265 0.000 -0.396) 2.299 4.470 ( 5.843 0.000 1.781) 6.108 4.504 ( 7.747 0.000 2.629) 8.181 4.531 ( 1.659 0.000 5.530) 5.773 4.585 ( 8.061 0.000 0.680) 8.089 4.607 ( -3.325 0.000 0.661) 3.390 4.648 ( 4.382 0.000 5.023) 6.666 4.697 ( -4.152 0.000 0.747) 4.218 4.709 ( 3.942 0.000 -4.654) 6.099 4.787 ( 1.770 0.000 -3.489) 3.912 4.955 ( -0.821 0.000 2.923) 3.036 4.968 ( 8.017 0.000 2.677) 8.452 5.010 ( 6.967 0.000 1.983) 7.243 5.019 ( 3.968 0.000 -2.784) 4.848 5.025 ( 1.245 0.000 4.700) 4.862 5.114 ( 0.309 0.000 -4.860) 4.870 5.149 ( -5.307 0.000 1.181) 5.437 5.192 ( -0.780 0.000 -2.731) 2.841 5.240 ( 2.450 0.000 -0.554) 2.511 5.280 ( 1.952 0.000 -1.459) 2.437 5.317 ( 2.316 0.000 -3.418) 4.129 5.435 ( 3.010 0.000 1.187) 3.235 5.439 ( 2.546 0.000 -5.041) 5.647 5.443 ( 2.114 0.000 1.501) 2.593 5.488 ( -1.541 0.000 4.120) 4.399 5.570 ( 0.104 0.000 -0.268) 0.287 5.607 ( -2.073 0.000 0.876) 2.251 5.621 ( 0.439 0.000 -3.871) 3.895 5.650 ( 2.228 0.000 -0.840) 2.381 5.672 ( -8.069 0.000 -2.496) 8.446 5.733 ( 1.329 0.000 -3.734) 3.963 5.774 ( 3.266 0.000 -11.561) 12.013 5.835 ( -2.608 0.000 -2.651) 3.718 5.964 ( -3.537 0.000 3.533) 4.999 6.023 ( -3.347 0.000 0.508) 3.386 6.082 ( -2.113 0.000 3.770) 4.322 6.176 ( 1.098 0.000 4.124) 4.267 6.251 ( -7.379 0.000 -4.312) 8.547 6.258 ( -0.576 0.000 4.081) 4.121 6.332 ( -3.287 0.000 -2.930) 4.404 6.419 ( -6.818 0.000 -0.917) 6.879 6.455 ( 4.185 0.000 2.472) 4.861 6.485 ( -9.315 0.000 -1.087) 9.378 6.570 ( 1.315 0.000 0.628) 1.457 6.575 ( -5.311 0.000 1.193) 5.443 6.686 ( 3.473 0.000 2.840) 4.486 6.748 ( -1.893 0.000 5.071) 5.412 6.759 ( -3.260 0.000 -4.190) 5.309 6.783 ( -2.059 0.000 1.299) 2.434 6.854 ( -7.695 0.000 4.006) 8.675 6.960 ( -3.602 0.000 1.556) 3.923 6.962 ( -5.120 0.000 -7.534) 9.109 7.006 ( -1.956 0.000 0.955) 2.177 7.040 ( 0.203 0.000 0.163) 0.261 7.107 ( -1.571 0.000 -0.812) 1.769 7.132 ( 3.761 0.000 2.236) 4.375 7.198 ( 6.097 0.000 -10.140) 11.831 7.345 ( 0.890 0.000 -0.852) 1.232 7.349 ( -1.688 0.000 0.027) 1.689 7.428 ( 3.773 0.000 0.697) 3.836 7.474 ( 5.037 0.000 -1.249) 5.190 7.561 ( -1.111 0.000 1.017) 1.506 7.629 ( 2.969 0.000 -1.695) 3.419 7.733 ( -1.693 0.000 1.928) 2.566 7.748 ( -7.003 0.000 3.793) 7.964 8.296 ( -0.964 0.000 0.474) 1.074 8.300 ( -1.454 0.000 -1.036) 1.786 8.515 ( -3.183 0.000 -2.450) 4.016 8.619 ( -1.135 0.000 -2.632) 2.866 8.679 ( -1.930 0.000 -1.371) 2.368 8.691 ( -4.990 0.000 0.409) 5.007 8.735 ( 3.116 0.000 -0.663) 3.186 8.948 ( 5.108 0.000 -0.047) 5.108 9.030 ( 5.245 0.000 0.327) 5.255 9.151 ( 0.569 0.000 -0.702) 0.904 9.156 ( 4.555 0.000 4.326) 6.281 9.246 ( 5.027 0.000 2.477) 5.604 9.546 ( 1.083 0.000 -1.366) 1.743 9.713 ( 1.257 0.000 0.355) 1.306 10.046 ( -4.106 0.000 -2.602) 4.861 10.140 ( 3.698 0.000 3.313) 4.965 10.233 ( 6.285 0.000 5.438) 8.311 10.546 ( 2.762 0.000 3.052) 4.116 10.669 ( -3.433 0.000 -1.678) 3.821 10.759 ( -4.742 0.000 -0.711) 4.795 11.089 ( -2.307 0.000 -0.334) 2.331 11.153 ( -0.285 0.000 2.854) 2.868 11.189 ( -1.046 0.000 1.054) 1.486 11.257 ( 0.300 0.000 -4.296) 4.307 11.433 ( 7.328 0.000 4.133) 8.414 11.501 ( -1.697 0.000 -2.447) 2.978 11.595 ( -0.472 0.000 -4.317) 4.342 11.748 ( -1.431 0.000 -3.464) 3.748 11.963 ( 7.664 0.000 -0.418) 7.676 11.986 ( 4.173 0.000 -2.924) 5.095 12.094 ( 2.935 0.000 -8.460) 8.955 12.152 ( 1.733 0.000 -2.513) 3.052 12.291 ( 0.594 0.000 2.751) 2.815 12.462 ( -0.927 0.000 -0.147) 0.938 12.497 ( -0.917 0.000 -0.147) 0.929 12.616 ( -2.062 0.000 2.428) 3.185 12.734 ( -4.113 0.000 16.239) 16.752 12.893 ( -3.969 0.000 0.649) 4.022 12.901 ( -2.667 0.000 -0.208) 2.675 13.021 ( -2.409 0.000 1.246) 2.712 14.285 ( -0.185 0.000 1.968) 1.977 14.445 ( -0.333 0.000 1.392) 1.431 14.480 ( -0.409 0.000 -0.041) 0.411 14.708 ( -2.863 0.000 -1.568) 3.264 17.066 ( 0.194 0.000 -0.468) 0.507 17.093 ( 0.105 0.000 -2.188) 2.191 17.309 ( 3.969 0.000 1.677) 4.308 17.744 ( -0.424 0.000 -4.305) 4.326 18.164 ( -2.424 0.000 -0.152) 2.429 18.165 ( 0.108 0.000 -2.945) 2.947 18.349 ( 1.064 0.000 0.567) 1.206 18.391 ( -2.598 0.000 8.275) 8.674 18.785 ( 0.729 0.000 1.544) 1.707 18.959 ( 0.316 0.000 -3.023) 3.040 18.968 ( -2.860 0.000 -1.680) 3.317 19.002 ( 4.994 0.000 -7.382) 8.913 19.016 ( -1.554 0.000 2.603) 3.032 19.086 ( 2.555 0.000 1.668) 3.051 19.091 ( -1.241 0.000 9.331) 9.413 19.117 ( 1.198 0.000 -1.724) 2.100 19.164 ( 0.952 0.000 0.269) 0.990 19.270 ( -1.017 0.000 2.408) 2.613 19.316 ( 1.605 0.000 -9.962) 10.091 19.361 ( 7.035 0.000 -0.394) 7.046 19.405 ( 0.173 0.000 1.384) 1.395 19.646 ( 5.492 0.000 -4.041) 6.819 19.771 ( 7.068 0.000 -26.607) 27.530 20.168 ( 0.642 0.000 -0.388) 0.750 20.211 ( -11.197 0.000 34.512) 36.283 20.266 ( -0.298 0.000 4.557) 4.567 20.485 ( -7.680 0.000 1.752) 7.877 20.979 ( -5.783 0.000 -0.197) 5.787 ======================= Grid point 2 (3/48) ======================= 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 12.099 0.000 2.941) 12.451 0.922 ( 14.153 0.000 14.015) 19.918 1.083 ( 5.893 0.000 2.579) 6.433 1.150 ( 5.292 0.000 -1.146) 5.415 1.165 ( 6.786 0.000 -7.322) 9.984 1.478 ( 4.437 0.000 -0.450) 4.460 1.515 ( 7.615 0.000 7.413) 10.627 1.560 ( 8.183 0.000 -1.156) 8.264 1.825 ( 9.195 0.000 -0.303) 9.200 1.827 ( 12.715 0.000 15.669) 20.179 1.890 ( -1.971 0.000 4.860) 5.245 1.913 ( -0.339 0.000 -5.025) 5.037 2.025 ( 1.350 0.000 1.336) 1.899 2.038 ( -2.376 0.000 -1.301) 2.709 2.151 ( 4.950 0.000 0.413) 4.967 2.180 ( -2.178 0.000 -7.575) 7.882 2.224 ( 4.038 0.000 1.557) 4.328 2.245 ( 1.263 0.000 2.034) 2.394 2.282 ( -1.094 0.000 0.650) 1.273 2.412 ( -3.797 0.000 -3.412) 5.105 2.413 ( 16.362 0.000 1.986) 16.482 2.501 ( 0.754 0.000 1.715) 1.873 2.532 ( 7.672 0.000 -2.969) 8.227 2.552 ( -4.486 0.000 -3.763) 5.856 2.682 ( 1.907 0.000 -0.703) 2.033 2.688 ( -4.247 0.000 -1.528) 4.514 2.746 ( 2.710 0.000 3.957) 4.796 2.748 ( -7.143 0.000 -1.244) 7.250 2.767 ( 3.435 0.000 -0.475) 3.468 2.773 ( -6.555 0.000 -6.553) 9.269 2.938 ( 2.337 0.000 2.398) 3.348 2.952 ( 3.021 0.000 1.857) 3.546 3.009 ( 0.203 0.000 2.235) 2.244 3.037 ( -8.253 0.000 -1.502) 8.388 3.065 ( 0.519 0.000 -0.614) 0.804 3.113 ( -5.480 0.000 3.785) 6.660 3.123 ( -7.566 0.000 2.196) 7.878 3.193 ( 2.598 0.000 -4.470) 5.170 3.203 ( 1.337 0.000 -1.098) 1.730 3.269 ( -2.779 0.000 -0.703) 2.867 3.311 ( -5.658 0.000 1.901) 5.969 3.337 ( 5.923 0.000 -2.265) 6.341 3.404 ( -3.176 0.000 -8.027) 8.632 3.429 ( -9.350 0.000 -6.688) 11.495 3.468 ( -5.122 0.000 -3.459) 6.181 3.525 ( 1.557 0.000 -4.707) 4.958 3.568 ( 6.338 0.000 -1.652) 6.549 3.614 ( -6.722 0.000 1.046) 6.803 3.624 ( 0.290 0.000 1.037) 1.077 3.633 ( -3.615 0.000 3.181) 4.815 3.668 ( -0.238 0.000 -1.814) 1.830 3.773 ( -5.825 0.000 -0.844) 5.886 3.789 ( -3.598 0.000 2.708) 4.504 3.826 ( 1.160 0.000 1.397) 1.816 3.888 ( 2.297 0.000 1.260) 2.620 3.888 ( 0.014 0.000 -0.215) 0.215 3.961 ( -1.200 0.000 4.009) 4.184 4.035 ( -2.923 0.000 -4.368) 5.256 4.068 ( 0.836 0.000 -5.323) 5.388 4.116 ( 0.094 0.000 -4.123) 4.124 4.162 ( 2.178 0.000 -4.746) 5.221 4.191 ( -2.432 0.000 8.929) 9.254 4.207 ( 3.910 0.000 1.478) 4.180 4.299 ( -0.834 0.000 0.295) 0.884 4.344 ( 2.887 0.000 6.604) 7.208 4.358 ( 0.562 0.000 -2.987) 3.039 4.394 ( 1.131 0.000 4.960) 5.088 4.432 ( -2.529 0.000 2.078) 3.273 4.504 ( 0.331 0.000 5.365) 5.375 4.537 ( -2.977 0.000 0.820) 3.088 4.610 ( 1.909 0.000 2.400) 3.067 4.621 ( 2.224 0.000 -3.340) 4.012 4.650 ( -1.106 0.000 2.401) 2.643 4.726 ( 1.685 0.000 7.314) 7.505 4.744 ( 6.082 0.000 -1.100) 6.181 4.799 ( 0.966 0.000 -3.205) 3.347 4.879 ( 16.291 0.000 -6.205) 17.433 4.919 ( -6.040 0.000 -0.169) 6.042 4.955 ( -1.161 0.000 4.965) 5.099 5.067 ( 1.936 0.000 -3.909) 4.362 5.070 ( 1.668 0.000 -0.408) 1.717 5.111 ( -2.268 0.000 -6.468) 6.854 5.136 ( 6.288 0.000 -1.516) 6.468 5.177 ( 7.012 0.000 -0.279) 7.018 5.185 ( 7.333 0.000 2.396) 7.715 5.309 ( 3.003 0.000 1.373) 3.302 5.355 ( 4.810 0.000 0.870) 4.888 5.357 ( 0.348 0.000 1.813) 1.846 5.422 ( -4.265 0.000 4.457) 6.169 5.452 ( -0.049 0.000 3.714) 3.714 5.476 ( 3.488 0.000 -3.744) 5.118 5.489 ( 0.082 0.000 1.438) 1.440 5.565 ( 0.117 0.000 -3.344) 3.346 5.594 ( -1.714 0.000 -3.864) 4.227 5.617 ( 2.074 0.000 1.523) 2.573 5.650 ( 5.192 0.000 0.453) 5.212 5.677 ( 1.095 0.000 -3.760) 3.916 5.727 ( 0.461 0.000 -4.638) 4.661 5.760 ( 0.926 0.000 -5.622) 5.698 5.770 ( -6.662 0.000 -1.609) 6.854 5.827 ( -6.408 0.000 0.301) 6.415 5.996 ( -5.290 0.000 1.133) 5.410 6.036 ( -5.433 0.000 3.938) 6.710 6.101 ( -4.800 0.000 0.515) 4.828 6.170 ( -0.121 0.000 -2.973) 2.976 6.202 ( -6.258 0.000 2.723) 6.825 6.254 ( -9.792 0.000 1.631) 9.927 6.286 ( -1.739 0.000 -0.598) 1.839 6.405 ( -0.135 0.000 1.123) 1.131 6.432 ( -10.584 0.000 -1.181) 10.650 6.560 ( 3.835 0.000 3.005) 4.872 6.598 ( -8.822 0.000 -1.284) 8.914 6.611 ( 1.432 0.000 2.161) 2.592 6.705 ( -4.869 0.000 2.463) 5.457 6.720 ( -2.834 0.000 -0.280) 2.847 6.774 ( -0.748 0.000 0.155) 0.764 6.776 ( 0.676 0.000 2.104) 2.210 6.882 ( -0.755 0.000 -2.117) 2.248 6.914 ( -3.272 0.000 4.861) 5.860 6.942 ( -3.106 0.000 -0.101) 3.107 7.029 ( -1.352 0.000 1.511) 2.028 7.096 ( -0.251 0.000 -2.920) 2.931 7.191 ( 2.631 0.000 -3.345) 4.256 7.245 ( 3.161 0.000 -2.307) 3.914 7.344 ( 0.230 0.000 -0.224) 0.321 7.364 ( 3.259 0.000 0.457) 3.291 7.488 ( 1.410 0.000 -0.284) 1.439 7.517 ( -1.822 0.000 0.612) 1.921 7.564 ( 2.350 0.000 0.017) 2.350 7.662 ( -3.769 0.000 -0.382) 3.788 7.692 ( 4.526 0.000 -1.870) 4.897 7.715 ( -1.503 0.000 3.146) 3.487 8.275 ( -0.140 0.000 -0.761) 0.774 8.287 ( -0.596 0.000 0.787) 0.987 8.455 ( -1.972 0.000 -1.374) 2.404 8.506 ( -4.986 0.000 -4.433) 6.672 8.623 ( -2.526 0.000 -0.747) 2.634 8.691 ( 0.883 0.000 0.927) 1.280 8.823 ( 5.578 0.000 -1.535) 5.785 8.994 ( 0.652 0.000 -1.495) 1.631 9.114 ( 5.044 0.000 0.226) 5.049 9.202 ( 3.330 0.000 -0.196) 3.336 9.222 ( 1.993 0.000 1.193) 2.323 9.384 ( 5.835 0.000 4.480) 7.357 9.563 ( 1.654 0.000 -1.854) 2.484 9.745 ( 1.678 0.000 0.727) 1.829 9.971 ( -2.308 0.000 -1.498) 2.752 10.207 ( 1.631 0.000 2.364) 2.873 10.316 ( -1.175 0.000 4.462) 4.614 10.581 ( -0.710 0.000 2.112) 2.228 10.596 ( -3.111 0.000 -1.323) 3.380 10.709 ( -1.272 0.000 0.957) 1.592 11.070 ( 0.192 0.000 0.516) 0.550 11.147 ( -1.269 0.000 1.705) 2.126 11.166 ( -0.935 0.000 0.262) 0.971 11.244 ( 0.174 0.000 -2.125) 2.132 11.502 ( 3.803 0.000 -1.618) 4.133 11.552 ( 3.500 0.000 3.149) 4.708 11.654 ( 7.499 0.000 -1.811) 7.715 11.699 ( -1.671 0.000 -3.434) 3.819 11.971 ( -2.454 0.000 -4.693) 5.296 12.095 ( 2.861 0.000 -1.853) 3.409 12.107 ( 5.587 0.000 -5.310) 7.708 12.125 ( -3.461 0.000 -4.282) 5.506 12.363 ( 5.923 0.000 6.350) 8.684 12.450 ( -0.228 0.000 -0.691) 0.728 12.470 ( -1.826 0.000 0.149) 1.832 12.609 ( 0.106 0.000 1.140) 1.145 12.720 ( -5.001 0.000 4.024) 6.419 12.804 ( -5.469 0.000 1.402) 5.645 12.862 ( -1.490 0.000 0.502) 1.573 12.995 ( -1.085 0.000 1.848) 2.143 14.292 ( -0.368 0.000 1.877) 1.913 14.446 ( -0.386 0.000 1.348) 1.402 14.472 ( -0.363 0.000 -0.014) 0.363 14.646 ( -2.636 0.000 -1.153) 2.877 17.065 ( 0.011 0.000 -0.306) 0.306 17.082 ( 0.186 0.000 -2.430) 2.438 17.399 ( 4.420 0.000 1.929) 4.823 17.704 ( -1.863 0.000 -2.118) 2.821 18.125 ( -1.818 0.000 0.235) 1.833 18.151 ( 0.170 0.000 -2.750) 2.755 18.366 ( 0.602 0.000 0.201) 0.635 18.390 ( -1.169 0.000 3.510) 3.700 18.808 ( 0.604 0.000 1.758) 1.859 18.916 ( -1.929 0.000 -0.862) 2.113 18.943 ( -0.729 0.000 -0.727) 1.030 19.006 ( -0.953 0.000 1.771) 2.011 19.054 ( 4.044 0.000 -4.615) 6.137 19.128 ( 1.009 0.000 0.382) 1.079 19.132 ( 0.397 0.000 7.210) 7.221 19.155 ( 3.287 0.000 -0.974) 3.428 19.185 ( 1.677 0.000 -0.841) 1.876 19.250 ( -1.126 0.000 3.023) 3.226 19.277 ( -1.216 0.000 -4.962) 5.109 19.420 ( 0.455 0.000 1.446) 1.516 19.495 ( 5.450 0.000 -0.840) 5.515 19.737 ( 8.251 0.000 -4.357) 9.331 19.747 ( 2.167 0.000 -10.850) 11.064 20.184 ( 1.050 0.000 0.143) 1.059 20.205 ( -3.870 0.000 11.438) 12.075 20.285 ( -0.071 0.000 3.166) 3.167 20.317 ( -11.412 0.000 1.247) 11.480 20.871 ( -5.523 0.000 0.565) 5.551 ======================= Grid point 3 (4/48) ======================= q-point: (-0.50 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 0.000 0.000 0.000) 0.000 1.041 ( 0.000 0.000 0.000) 0.000 1.157 ( 0.000 0.000 0.000) 0.000 1.200 ( 0.000 0.000 0.000) 0.000 1.343 ( 0.000 0.000 0.000) 0.000 1.368 ( 0.000 0.000 0.000) 0.000 1.661 ( 0.000 0.000 0.000) 0.000 1.749 ( -0.000 0.000 0.000) 0.000 1.750 ( 0.000 0.000 -0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 1.979 ( 0.000 0.000 -0.000) 0.000 1.984 ( -0.000 0.000 0.000) 0.000 2.005 ( -0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 -0.000) 0.000 2.140 ( 0.000 0.000 -0.000) 0.000 2.236 ( -0.000 0.000 -0.000) 0.000 2.243 ( 0.000 0.000 -0.000) 0.000 2.299 ( 0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 -0.000) 0.000 2.403 ( -0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.581 ( -0.000 0.000 -0.000) 0.000 2.637 ( 0.000 0.000 -0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 -0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 -0.000) 0.000 2.798 ( -0.000 0.000 0.000) 0.000 2.856 ( 0.000 0.000 -0.000) 0.000 2.904 ( 0.000 0.000 0.000) 0.000 3.018 ( 0.000 0.000 0.000) 0.000 3.082 ( 0.000 0.000 -0.000) 0.000 3.089 ( 0.000 0.000 -0.000) 0.000 3.100 ( 0.000 0.000 0.000) 0.000 3.115 ( 0.000 0.000 0.000) 0.000 3.130 ( -0.000 0.000 -0.000) 0.000 3.227 ( 0.000 0.000 0.000) 0.000 3.232 ( 0.000 0.000 0.000) 0.000 3.260 ( -0.000 0.000 -0.000) 0.000 3.260 ( 0.000 0.000 0.000) 0.000 3.301 ( -0.000 0.000 -0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.431 ( 0.000 0.000 -0.000) 0.000 3.496 ( 0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 -0.000) 0.000 3.607 ( 0.000 0.000 -0.000) 0.000 3.638 ( 0.000 0.000 0.000) 0.000 3.653 ( 0.000 0.000 0.000) 0.000 3.669 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 -0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 -0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 3.992 ( 0.000 0.000 -0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.120 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 -0.000) 0.000 4.185 ( 0.000 0.000 -0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.279 ( 0.000 0.000 0.000) 0.000 4.331 ( -0.000 0.000 -0.000) 0.000 4.342 ( 0.000 0.000 0.000) 0.000 4.444 ( 0.000 0.000 0.000) 0.000 4.460 ( 0.000 0.000 -0.000) 0.000 4.503 ( 0.000 0.000 -0.000) 0.000 4.532 ( 0.000 0.000 -0.000) 0.000 4.624 ( 0.000 0.000 0.000) 0.000 4.637 ( 0.000 0.000 0.000) 0.000 4.655 ( 0.000 0.000 -0.000) 0.000 4.736 ( 0.000 0.000 0.000) 0.000 4.783 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 -0.000) 0.000 4.826 ( 0.000 0.000 0.000) 0.000 4.961 ( 0.000 0.000 -0.000) 0.000 5.070 ( 0.000 0.000 -0.000) 0.000 5.073 ( 0.000 0.000 -0.000) 0.000 5.074 ( -0.000 0.000 0.000) 0.000 5.136 ( 0.000 0.000 0.000) 0.000 5.234 ( -0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 0.000) 0.000 5.287 ( -0.000 0.000 0.000) 0.000 5.300 ( 0.000 0.000 0.000) 0.000 5.301 ( -0.000 0.000 -0.000) 0.000 5.345 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 -0.000) 0.000 5.486 ( 0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 0.000) 0.000 5.536 ( 0.000 0.000 0.000) 0.000 5.564 ( -0.000 0.000 -0.000) 0.000 5.588 ( 0.000 0.000 -0.000) 0.000 5.600 ( 0.000 0.000 0.000) 0.000 5.616 ( 0.000 0.000 0.000) 0.000 5.646 ( 0.000 0.000 0.000) 0.000 5.710 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 -0.000) 0.000 5.779 ( -0.000 0.000 0.000) 0.000 5.804 ( 0.000 0.000 0.000) 0.000 5.866 ( 0.000 0.000 0.000) 0.000 5.968 ( 0.000 0.000 0.000) 0.000 6.097 ( 0.000 0.000 0.000) 0.000 6.124 ( 0.000 0.000 0.000) 0.000 6.173 ( 0.000 0.000 -0.000) 0.000 6.180 ( -0.000 0.000 0.000) 0.000 6.267 ( 0.000 0.000 0.000) 0.000 6.297 ( 0.000 0.000 0.000) 0.000 6.419 ( 0.000 0.000 0.000) 0.000 6.501 ( 0.000 0.000 0.000) 0.000 6.610 ( 0.000 0.000 0.000) 0.000 6.638 ( 0.000 0.000 0.000) 0.000 6.640 ( -0.000 0.000 0.000) 0.000 6.725 ( -0.000 0.000 0.000) 0.000 6.741 ( 0.000 0.000 -0.000) 0.000 6.795 ( 0.000 0.000 0.000) 0.000 6.873 ( 0.000 0.000 0.000) 0.000 6.902 ( 0.000 0.000 -0.000) 0.000 6.919 ( 0.000 0.000 0.000) 0.000 7.030 ( 0.000 0.000 0.000) 0.000 7.067 ( 0.000 0.000 -0.000) 0.000 7.203 ( 0.000 0.000 -0.000) 0.000 7.264 ( 0.000 0.000 0.000) 0.000 7.348 ( 0.000 0.000 -0.000) 0.000 7.430 ( -0.000 0.000 -0.000) 0.000 7.475 ( 0.000 0.000 -0.000) 0.000 7.493 ( 0.000 0.000 0.000) 0.000 7.601 ( 0.000 0.000 -0.000) 0.000 7.610 ( 0.000 0.000 0.000) 0.000 7.704 ( 0.000 0.000 0.000) 0.000 7.740 ( 0.000 0.000 -0.000) 0.000 8.278 ( 0.000 0.000 -0.000) 0.000 8.284 ( 0.000 0.000 0.000) 0.000 8.438 ( -0.000 0.000 -0.000) 0.000 8.443 ( 0.000 0.000 0.000) 0.000 8.597 ( 0.000 0.000 0.000) 0.000 8.703 ( 0.000 0.000 0.000) 0.000 8.871 ( 0.000 0.000 0.000) 0.000 8.987 ( 0.000 0.000 0.000) 0.000 9.184 ( 0.000 0.000 0.000) 0.000 9.220 ( 0.000 0.000 -0.000) 0.000 9.245 ( 0.000 0.000 0.000) 0.000 9.451 ( 0.000 0.000 -0.000) 0.000 9.574 ( 0.000 0.000 0.000) 0.000 9.765 ( 0.000 0.000 0.000) 0.000 9.951 ( 0.000 0.000 0.000) 0.000 10.231 ( 0.000 0.000 -0.000) 0.000 10.290 ( 0.000 0.000 0.000) 0.000 10.563 ( 0.000 0.000 0.000) 0.000 10.573 ( 0.000 0.000 0.000) 0.000 10.705 ( 0.000 0.000 0.000) 0.000 11.078 ( 0.000 0.000 0.000) 0.000 11.140 ( 0.000 0.000 0.000) 0.000 11.163 ( 0.000 0.000 0.000) 0.000 11.240 ( 0.000 0.000 -0.000) 0.000 11.567 ( 0.000 0.000 0.000) 0.000 11.593 ( 0.000 0.000 -0.000) 0.000 11.669 ( 0.000 0.000 -0.000) 0.000 11.723 ( 0.000 0.000 0.000) 0.000 11.948 ( 0.000 0.000 0.000) 0.000 12.029 ( 0.000 0.000 0.000) 0.000 12.101 ( 0.000 0.000 0.000) 0.000 12.148 ( 0.000 0.000 0.000) 0.000 12.442 ( 0.000 0.000 0.000) 0.000 12.455 ( 0.000 0.000 -0.000) 0.000 12.514 ( 0.000 0.000 0.000) 0.000 12.596 ( -0.000 0.000 0.000) 0.000 12.631 ( -0.000 0.000 0.000) 0.000 12.764 ( 0.000 0.000 0.000) 0.000 12.852 ( 0.000 0.000 0.000) 0.000 12.995 ( 0.000 0.000 0.000) 0.000 14.293 ( 0.000 0.000 0.000) 0.000 14.446 ( 0.000 0.000 0.000) 0.000 14.469 ( 0.000 0.000 -0.000) 0.000 14.618 ( 0.000 0.000 -0.000) 0.000 17.064 ( 0.000 0.000 0.000) 0.000 17.076 ( 0.000 0.000 -0.000) 0.000 17.452 ( 0.000 0.000 0.000) 0.000 17.676 ( 0.000 0.000 0.000) 0.000 18.109 ( 0.000 0.000 0.000) 0.000 18.144 ( 0.000 0.000 -0.000) 0.000 18.372 ( 0.000 0.000 0.000) 0.000 18.390 ( 0.000 0.000 -0.000) 0.000 18.819 ( 0.000 0.000 0.000) 0.000 18.896 ( 0.000 0.000 0.000) 0.000 18.934 ( 0.000 0.000 0.000) 0.000 19.003 ( 0.000 0.000 0.000) 0.000 19.078 ( 0.000 0.000 0.000) 0.000 19.138 ( 0.000 0.000 -0.000) 0.000 19.160 ( 0.000 0.000 0.000) 0.000 19.177 ( 0.000 0.000 0.000) 0.000 19.220 ( -0.000 0.000 -0.000) 0.000 19.228 ( 0.000 0.000 0.000) 0.000 19.262 ( 0.000 0.000 0.000) 0.000 19.430 ( 0.000 0.000 0.000) 0.000 19.528 ( 0.000 0.000 -0.000) 0.000 19.735 ( 0.000 0.000 -0.000) 0.000 19.839 ( 0.000 0.000 0.000) 0.000 20.181 ( -0.000 0.000 0.000) 0.000 20.196 ( 0.000 0.000 -0.000) 0.000 20.202 ( 0.000 0.000 0.000) 0.000 20.294 ( 0.000 0.000 -0.000) 0.000 20.821 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.25 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 0.000 16.387 0.000) 16.387 0.424 ( 0.000 18.631 0.000) 18.631 0.779 ( 0.000 4.195 0.000) 4.195 0.958 ( 0.000 21.546 0.000) 21.546 1.024 ( 0.000 4.426 0.000) 4.426 1.150 ( 0.000 4.460 0.000) 4.460 1.339 ( 0.000 5.061 0.000) 5.061 1.409 ( 0.000 0.253 0.000) 0.253 1.648 ( 0.000 -8.379 0.000) 8.379 1.725 ( 0.000 8.093 0.000) 8.093 1.737 ( 0.000 7.031 0.000) 7.031 1.805 ( 0.000 -0.642 0.000) 0.642 1.826 ( 0.000 0.370 0.000) 0.370 2.023 ( 0.000 2.223 0.000) 2.223 2.096 ( 0.000 -6.500 0.000) 6.500 2.143 ( 0.000 -3.519 0.000) 3.519 2.230 ( 0.000 -7.412 0.000) 7.412 2.285 ( 0.000 4.680 0.000) 4.680 2.324 ( 0.000 -6.069 0.000) 6.069 2.380 ( 0.000 -2.380 0.000) 2.380 2.446 ( 0.000 0.730 0.000) 0.730 2.457 ( 0.000 -5.404 0.000) 5.404 2.479 ( 0.000 -5.097 0.000) 5.097 2.597 ( 0.000 1.878 0.000) 1.878 2.621 ( 0.000 2.436 0.000) 2.436 2.711 ( 0.000 3.179 0.000) 3.179 2.719 ( 0.000 -2.372 0.000) 2.372 2.756 ( 0.000 -0.839 0.000) 0.839 2.798 ( 0.000 -1.638 0.000) 1.638 2.923 ( 0.000 -3.725 0.000) 3.725 2.924 ( 0.000 8.069 0.000) 8.069 2.971 ( 0.000 2.043 0.000) 2.043 3.014 ( 0.000 2.775 0.000) 2.775 3.046 ( 0.000 -0.608 0.000) 0.608 3.147 ( 0.000 1.628 0.000) 1.628 3.152 ( 0.000 -6.974 0.000) 6.974 3.193 ( 0.000 3.308 0.000) 3.308 3.295 ( 0.000 1.754 0.000) 1.754 3.311 ( 0.000 -3.130 0.000) 3.130 3.401 ( 0.000 -4.788 0.000) 4.788 3.413 ( 0.000 -3.786 0.000) 3.786 3.423 ( 0.000 -2.765 0.000) 2.765 3.426 ( 0.000 4.598 0.000) 4.598 3.497 ( 0.000 -4.612 0.000) 4.612 3.546 ( 0.000 0.653 0.000) 0.653 3.567 ( 0.000 2.672 0.000) 2.672 3.620 ( 0.000 -0.782 0.000) 0.782 3.658 ( 0.000 3.801 0.000) 3.801 3.660 ( 0.000 -8.922 0.000) 8.922 3.782 ( 0.000 2.224 0.000) 2.224 3.802 ( 0.000 1.272 0.000) 1.272 3.815 ( 0.000 -0.522 0.000) 0.522 3.861 ( 0.000 -1.399 0.000) 1.399 3.863 ( 0.000 7.705 0.000) 7.705 3.918 ( 0.000 -1.826 0.000) 1.826 3.933 ( 0.000 3.308 0.000) 3.308 3.983 ( 0.000 -1.491 0.000) 1.491 4.039 ( 0.000 2.605 0.000) 2.605 4.060 ( 0.000 -6.332 0.000) 6.332 4.072 ( 0.000 0.105 0.000) 0.105 4.079 ( 0.000 -2.996 0.000) 2.996 4.122 ( 0.000 1.620 0.000) 1.620 4.211 ( 0.000 -0.925 0.000) 0.925 4.261 ( 0.000 -0.121 0.000) 0.121 4.267 ( 0.000 -1.197 0.000) 1.197 4.300 ( 0.000 -1.412 0.000) 1.412 4.357 ( 0.000 6.116 0.000) 6.116 4.406 ( 0.000 -5.462 0.000) 5.462 4.457 ( 0.000 7.559 0.000) 7.559 4.502 ( 0.000 1.598 0.000) 1.598 4.556 ( 0.000 -5.130 0.000) 5.130 4.578 ( 0.000 -1.229 0.000) 1.229 4.612 ( 0.000 5.590 0.000) 5.590 4.643 ( 0.000 4.495 0.000) 4.495 4.667 ( 0.000 -1.146 0.000) 1.146 4.753 ( 0.000 9.701 0.000) 9.701 4.784 ( 0.000 2.156 0.000) 2.156 4.892 ( 0.000 -3.300 0.000) 3.300 4.949 ( 0.000 -1.931 0.000) 1.931 4.970 ( 0.000 -6.600 0.000) 6.600 5.004 ( 0.000 0.046 0.000) 0.046 5.021 ( 0.000 1.629 0.000) 1.629 5.067 ( 0.000 -8.520 0.000) 8.520 5.117 ( 0.000 7.631 0.000) 7.631 5.140 ( 0.000 -6.052 0.000) 6.052 5.179 ( 0.000 -1.176 0.000) 1.176 5.230 ( 0.000 -4.126 0.000) 4.126 5.363 ( 0.000 -3.007 0.000) 3.007 5.389 ( 0.000 4.133 0.000) 4.133 5.422 ( 0.000 -1.122 0.000) 1.122 5.471 ( 0.000 -0.763 0.000) 0.763 5.516 ( 0.000 0.481 0.000) 0.481 5.569 ( 0.000 -1.526 0.000) 1.526 5.616 ( 0.000 -1.466 0.000) 1.466 5.635 ( 0.000 1.712 0.000) 1.712 5.640 ( 0.000 -3.072 0.000) 3.072 5.673 ( 0.000 -0.391 0.000) 0.391 5.768 ( 0.000 3.418 0.000) 3.418 5.843 ( 0.000 -0.945 0.000) 0.945 5.845 ( 0.000 -2.081 0.000) 2.081 5.923 ( 0.000 -7.278 0.000) 7.278 5.992 ( 0.000 2.405 0.000) 2.405 6.087 ( 0.000 7.354 0.000) 7.354 6.099 ( 0.000 1.320 0.000) 1.320 6.200 ( 0.000 5.045 0.000) 5.045 6.317 ( 0.000 -2.344 0.000) 2.344 6.363 ( 0.000 -5.770 0.000) 5.770 6.377 ( 0.000 0.200 0.000) 0.200 6.461 ( 0.000 0.571 0.000) 0.571 6.499 ( 0.000 -2.208 0.000) 2.208 6.540 ( 0.000 -1.741 0.000) 1.741 6.558 ( 0.000 4.412 0.000) 4.412 6.671 ( 0.000 2.697 0.000) 2.697 6.706 ( 0.000 2.368 0.000) 2.368 6.756 ( 0.000 -3.151 0.000) 3.151 6.806 ( 0.000 4.054 0.000) 4.054 6.836 ( 0.000 -0.869 0.000) 0.869 6.917 ( 0.000 -5.539 0.000) 5.539 6.931 ( 0.000 2.832 0.000) 2.832 7.007 ( 0.000 -0.602 0.000) 0.602 7.087 ( 0.000 4.139 0.000) 4.139 7.096 ( 0.000 2.395 0.000) 2.395 7.158 ( 0.000 2.271 0.000) 2.271 7.262 ( 0.000 3.013 0.000) 3.013 7.365 ( 0.000 0.268 0.000) 0.268 7.366 ( 0.000 -1.394 0.000) 1.394 7.496 ( 0.000 6.781 0.000) 6.781 7.574 ( 0.000 0.757 0.000) 0.757 7.623 ( 0.000 3.844 0.000) 3.844 7.699 ( 0.000 -0.925 0.000) 0.925 7.736 ( 0.000 -0.923 0.000) 0.923 7.971 ( 0.000 -8.121 0.000) 8.121 8.305 ( 0.000 -0.040 0.000) 0.040 8.312 ( 0.000 -0.598 0.000) 0.598 8.563 ( 0.000 -0.857 0.000) 0.857 8.571 ( 0.000 -0.964 0.000) 0.964 8.694 ( 0.000 -0.584 0.000) 0.584 8.760 ( 0.000 1.982 0.000) 1.982 8.785 ( 0.000 -4.361 0.000) 4.361 8.881 ( 0.000 -1.722 0.000) 1.722 9.082 ( 0.000 0.571 0.000) 0.571 9.137 ( 0.000 -1.762 0.000) 1.762 9.205 ( 0.000 -0.340 0.000) 0.340 9.218 ( 0.000 -2.009 0.000) 2.009 9.569 ( 0.000 2.581 0.000) 2.581 9.682 ( 0.000 -1.802 0.000) 1.802 10.096 ( 0.000 0.718 0.000) 0.718 10.155 ( 0.000 -1.455 0.000) 1.455 10.162 ( 0.000 5.797 0.000) 5.797 10.550 ( 0.000 -10.732 0.000) 10.732 10.786 ( 0.000 0.870 0.000) 0.870 10.804 ( 0.000 0.992 0.000) 0.992 11.112 ( 0.000 -0.647 0.000) 0.647 11.129 ( 0.000 -0.749 0.000) 0.749 11.248 ( 0.000 0.540 0.000) 0.540 11.272 ( 0.000 0.229 0.000) 0.229 11.399 ( 0.000 5.257 0.000) 5.257 11.516 ( 0.000 0.066 0.000) 0.066 11.562 ( 0.000 1.584 0.000) 1.584 11.641 ( 0.000 -1.257 0.000) 1.257 11.863 ( 0.000 -0.628 0.000) 0.628 11.882 ( 0.000 -1.093 0.000) 1.093 11.962 ( 0.000 2.842 0.000) 2.842 12.103 ( 0.000 -2.461 0.000) 2.461 12.181 ( 0.000 1.790 0.000) 1.790 12.264 ( 0.000 -1.585 0.000) 1.585 12.478 ( 0.000 0.467 0.000) 0.467 12.534 ( 0.000 -2.777 0.000) 2.777 12.732 ( 0.000 5.538 0.000) 5.538 12.897 ( 0.000 -2.141 0.000) 2.141 12.951 ( 0.000 1.381 0.000) 1.381 13.028 ( 0.000 -1.609 0.000) 1.609 14.443 ( 0.000 -0.442 0.000) 0.442 14.444 ( 0.000 -0.020 0.000) 0.020 14.557 ( 0.000 4.895 0.000) 4.895 14.718 ( 0.000 -1.933 0.000) 1.933 17.066 ( 0.000 -0.401 0.000) 0.401 17.112 ( 0.000 -1.608 0.000) 1.608 17.163 ( 0.000 3.543 0.000) 3.543 17.261 ( 0.000 -0.725 0.000) 0.725 18.191 ( 0.000 1.700 0.000) 1.700 18.297 ( 0.000 -2.635 0.000) 2.635 18.305 ( 0.000 1.342 0.000) 1.342 18.355 ( 0.000 -0.353 0.000) 0.353 18.789 ( 0.000 1.384 0.000) 1.384 18.860 ( 0.000 -1.746 0.000) 1.746 18.983 ( 0.000 0.501 0.000) 0.501 19.025 ( 0.000 -0.480 0.000) 0.480 19.051 ( 0.000 1.004 0.000) 1.004 19.051 ( 0.000 -0.012 0.000) 0.012 19.099 ( 0.000 -0.521 0.000) 0.521 19.148 ( 0.000 -0.445 0.000) 0.445 19.184 ( 0.000 0.697 0.000) 0.697 19.203 ( 0.000 -1.113 0.000) 1.113 19.323 ( 0.000 0.008 0.000) 0.008 19.381 ( 0.000 -1.654 0.000) 1.654 19.418 ( 0.000 3.437 0.000) 3.437 19.525 ( 0.000 -0.860 0.000) 0.860 19.935 ( 0.000 -0.298 0.000) 0.298 19.946 ( 0.000 -0.634 0.000) 0.634 20.307 ( 0.000 4.793 0.000) 4.793 20.518 ( 0.000 -3.116 0.000) 3.116 20.930 ( 0.000 0.421 0.000) 0.421 21.005 ( 0.000 -2.685 0.000) 2.685 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.17 0.25 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 17.049 9.409 10.753) 22.245 0.857 ( 7.834 13.386 3.501) 15.900 0.890 ( 23.854 5.595 9.282) 26.201 1.051 ( 12.133 12.837 -7.057) 19.021 1.089 ( 6.146 -3.010 2.454) 7.270 1.188 ( 6.473 8.272 0.566) 10.519 1.352 ( 3.863 -0.303 3.287) 5.081 1.536 ( 7.504 5.806 7.301) 11.972 1.675 ( 2.557 -0.398 3.871) 4.656 1.725 ( 4.954 0.237 -2.624) 5.611 1.788 ( 2.354 4.180 3.089) 5.706 1.846 ( 3.072 -1.783 2.920) 4.598 1.913 ( 8.373 3.072 1.409) 9.030 2.065 ( 4.081 0.701 -3.400) 5.357 2.105 ( 0.202 -4.239 -1.436) 4.480 2.150 ( -0.233 -1.744 -0.050) 1.760 2.192 ( 1.964 -3.881 -4.883) 6.539 2.272 ( -1.884 -0.224 -1.419) 2.370 2.325 ( 2.932 3.946 -2.898) 5.707 2.370 ( -3.817 -2.406 -1.984) 4.929 2.398 ( 0.999 -0.708 4.404) 4.572 2.463 ( -1.929 -7.005 2.130) 7.571 2.506 ( -1.112 0.339 -2.398) 2.665 2.606 ( -1.429 -2.489 -0.427) 2.901 2.638 ( 0.173 0.788 -1.618) 1.808 2.689 ( 2.498 2.170 3.779) 5.024 2.724 ( 3.273 1.551 -1.869) 4.076 2.782 ( -0.679 -0.567 2.854) 2.988 2.821 ( 0.124 0.389 2.337) 2.373 2.891 ( -0.885 0.225 -3.652) 3.765 2.934 ( 1.409 4.363 -0.765) 4.648 2.950 ( 0.649 -0.738 -3.835) 3.959 2.997 ( -4.079 0.545 2.545) 4.839 3.043 ( -0.136 2.043 -1.018) 2.286 3.113 ( -3.971 3.110 -1.165) 5.177 3.156 ( -1.259 -3.366 0.902) 3.706 3.186 ( 1.686 -1.797 -1.996) 3.171 3.251 ( -4.019 -4.206 0.489) 5.838 3.276 ( -2.599 2.105 -0.705) 3.418 3.294 ( -6.410 -1.627 -0.392) 6.625 3.339 ( -1.473 1.557 -1.732) 2.756 3.419 ( -1.181 -3.672 -1.063) 4.001 3.446 ( -8.023 -5.461 -6.468) 11.663 3.458 ( 0.115 1.995 0.372) 2.032 3.503 ( -1.129 -2.246 -3.960) 4.691 3.554 ( 0.044 -1.403 -4.736) 4.940 3.583 ( -0.747 -3.916 -4.662) 6.134 3.603 ( -1.311 -0.026 0.887) 1.583 3.680 ( -5.426 -0.081 -3.608) 6.516 3.723 ( -4.560 -0.873 -0.211) 4.648 3.762 ( -1.830 1.859 0.048) 2.609 3.780 ( -4.944 1.929 -1.794) 5.601 3.827 ( -0.736 5.270 0.623) 5.358 3.874 ( -0.418 -2.606 -0.047) 2.640 3.900 ( -3.651 0.214 5.143) 6.311 3.920 ( -0.232 2.914 1.422) 3.251 3.953 ( -1.407 1.645 -2.455) 3.274 4.036 ( -1.800 -1.077 -0.847) 2.263 4.081 ( 4.153 0.364 0.506) 4.200 4.090 ( 1.626 -2.253 4.815) 5.559 4.119 ( 4.401 2.006 0.316) 4.847 4.169 ( -3.010 1.409 -2.322) 4.054 4.195 ( 1.350 -2.152 -1.613) 3.009 4.258 ( 5.595 -1.600 5.062) 7.713 4.274 ( -2.706 4.092 0.341) 4.917 4.339 ( 1.102 -0.702 1.637) 2.095 4.392 ( 0.631 -5.190 3.214) 6.137 4.435 ( 2.977 3.295 -0.565) 4.477 4.490 ( 0.031 1.499 2.556) 2.963 4.524 ( 1.486 -3.711 0.135) 3.999 4.550 ( 2.072 -2.441 1.244) 3.435 4.587 ( 1.690 5.615 -0.001) 5.864 4.633 ( 1.255 -3.136 -1.153) 3.569 4.674 ( 4.878 1.439 1.468) 5.293 4.713 ( 2.801 5.948 4.430) 7.928 4.753 ( 0.761 5.838 -0.806) 5.942 4.791 ( -1.274 1.452 -3.310) 3.832 4.887 ( -0.117 -7.392 -2.936) 7.955 4.900 ( -5.245 -1.058 4.430) 6.946 4.970 ( 1.539 -1.839 1.710) 2.945 5.039 ( 4.537 -0.853 -0.150) 4.619 5.072 ( -1.521 -5.059 2.520) 5.853 5.114 ( 3.108 -4.756 -4.469) 7.228 5.118 ( 4.418 -0.131 -0.731) 4.480 5.176 ( 4.079 1.986 -3.544) 5.757 5.198 ( 6.419 2.103 -0.291) 6.761 5.278 ( 5.448 -3.510 -0.490) 6.499 5.372 ( -1.398 6.566 -0.039) 6.714 5.415 ( 2.241 0.281 0.327) 2.282 5.463 ( 2.389 -0.764 3.795) 4.549 5.473 ( 1.788 0.788 -1.128) 2.256 5.531 ( -0.269 2.245 -4.588) 5.115 5.538 ( -0.393 -2.361 1.889) 3.049 5.572 ( -2.560 -1.621 1.053) 3.207 5.615 ( 0.618 -0.401 -2.652) 2.752 5.672 ( 2.045 3.284 1.662) 4.211 5.707 ( 3.939 -1.626 -6.735) 7.970 5.725 ( -2.838 5.679 0.851) 6.405 5.812 ( -0.766 1.465 -1.517) 2.244 5.885 ( -2.319 -3.579 -1.775) 4.619 5.953 ( -2.173 2.790 0.746) 3.614 5.963 ( 0.721 -8.847 2.688) 9.274 6.022 ( -1.768 -1.582 1.439) 2.775 6.121 ( -5.170 0.554 3.191) 6.101 6.164 ( -2.878 -0.982 -2.313) 3.821 6.279 ( -0.234 -2.083 -0.012) 2.097 6.320 ( -1.530 -1.218 2.118) 2.883 6.351 ( -2.533 -2.300 0.186) 3.427 6.455 ( -5.239 -0.607 -0.507) 5.299 6.477 ( -3.506 -2.951 -1.309) 4.766 6.563 ( -2.424 1.997 1.139) 3.341 6.603 ( -2.356 1.139 2.431) 3.571 6.648 ( 3.156 -0.060 2.727) 4.171 6.710 ( 0.329 1.833 1.851) 2.626 6.755 ( -3.194 -0.946 -1.429) 3.625 6.784 ( -1.316 -2.004 0.864) 2.549 6.802 ( -2.267 0.788 2.186) 3.246 6.898 ( -1.313 0.056 0.172) 1.326 6.949 ( -2.209 -0.506 1.492) 2.713 6.988 ( -2.053 -0.117 0.668) 2.162 7.096 ( -0.056 1.936 -0.840) 2.111 7.129 ( 2.002 0.027 0.815) 2.162 7.158 ( 0.783 1.547 -0.408) 1.781 7.218 ( -2.144 4.528 -1.522) 5.236 7.354 ( -2.287 -0.522 -0.257) 2.360 7.401 ( 2.565 -0.771 0.711) 2.771 7.466 ( 0.469 4.421 -0.858) 4.527 7.550 ( -2.709 0.162 -0.782) 2.824 7.636 ( 0.435 5.525 -1.853) 5.843 7.679 ( -0.934 -0.595 0.467) 1.202 7.713 ( -1.791 0.533 -0.276) 1.889 7.840 ( -7.941 1.323 -4.299) 9.126 8.296 ( -1.059 -0.069 0.649) 1.244 8.296 ( -1.274 -0.222 -0.025) 1.294 8.522 ( -2.178 0.699 -2.205) 3.177 8.591 ( -0.074 -2.361 -1.294) 2.694 8.672 ( -4.256 1.930 -2.514) 5.306 8.723 ( 2.776 -0.848 0.065) 2.903 8.776 ( -3.893 1.155 -0.238) 4.067 8.921 ( 3.903 -4.334 0.124) 5.834 9.034 ( -2.846 3.153 -3.834) 5.722 9.140 ( 0.009 -0.545 -0.446) 0.704 9.175 ( 3.604 -0.225 1.877) 4.070 9.234 ( 5.351 -1.566 0.130) 5.577 9.574 ( 0.998 2.698 -1.144) 3.096 9.693 ( 1.267 -1.917 -0.109) 2.300 10.107 ( -3.334 4.169 -0.887) 5.412 10.164 ( 2.753 2.701 3.127) 4.965 10.220 ( 4.903 -1.166 3.961) 6.410 10.469 ( -2.989 -7.254 -0.557) 7.865 10.717 ( -2.774 2.925 0.694) 4.091 10.759 ( -3.944 0.066 -0.524) 3.979 11.090 ( -1.644 0.297 -0.003) 1.671 11.143 ( 0.132 -1.792 1.171) 2.145 11.203 ( -1.814 2.423 1.652) 3.448 11.270 ( -0.810 0.205 -1.408) 1.637 11.479 ( 5.496 4.035 1.931) 7.086 11.532 ( -0.561 2.525 -1.911) 3.216 11.595 ( 0.008 -0.011 -4.311) 4.311 11.719 ( 1.918 -3.289 -2.141) 4.368 11.926 ( 8.100 -1.322 -0.876) 8.254 12.022 ( 4.716 1.399 -3.292) 5.919 12.055 ( 9.392 -3.984 -5.691) 11.682 12.134 ( 3.231 -2.409 -1.767) 4.401 12.267 ( 6.024 -6.261 8.522) 12.170 12.282 ( 2.414 -3.215 7.487) 8.498 12.472 ( -0.574 0.685 0.135) 0.904 12.535 ( 0.061 -2.811 0.315) 2.829 12.746 ( -0.479 3.415 4.131) 5.381 12.868 ( -3.482 -1.862 0.646) 4.001 12.924 ( -2.430 1.676 -0.279) 2.965 13.006 ( -2.301 -1.473 1.037) 2.922 14.355 ( -5.429 3.490 -0.194) 6.457 14.439 ( -1.013 -0.690 1.237) 1.742 14.552 ( -0.760 4.574 0.725) 4.693 14.688 ( -2.662 -1.786 -0.984) 3.354 17.065 ( -0.015 0.059 0.018) 0.063 17.095 ( -0.135 -0.188 -2.582) 2.592 17.281 ( 4.888 -1.873 1.148) 5.359 17.398 ( 11.560 -10.447 3.505) 15.971 18.181 ( -0.407 1.519 -2.084) 2.611 18.221 ( -3.876 1.048 -1.082) 4.159 18.356 ( 1.476 0.219 0.534) 1.584 18.371 ( 0.882 -0.792 3.674) 3.861 18.799 ( 0.605 1.446 1.508) 2.176 18.888 ( 2.209 -2.772 0.298) 3.557 18.976 ( -0.960 0.208 0.906) 1.337 19.015 ( -1.160 0.434 -0.972) 1.574 19.029 ( -0.766 0.039 -0.907) 1.187 19.067 ( -0.028 -0.656 1.480) 1.619 19.098 ( 2.689 0.843 -0.511) 2.865 19.157 ( -0.028 1.792 0.891) 2.002 19.214 ( 3.534 -0.968 0.643) 3.720 19.249 ( 1.100 -1.560 1.691) 2.550 19.364 ( 3.730 2.350 -1.810) 4.766 19.387 ( 1.785 3.533 -3.531) 5.304 19.434 ( 4.282 0.774 -0.327) 4.364 19.563 ( 4.174 -3.468 -3.008) 6.205 19.874 ( -0.778 3.576 -11.280) 11.859 19.993 ( 0.346 -4.550 7.952) 9.168 20.291 ( -2.444 3.397 1.407) 4.415 20.455 ( -7.301 -2.690 1.457) 7.916 20.636 ( -20.029 14.549 1.971) 24.834 20.934 ( -6.797 -4.076 -0.607) 7.948 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.33 0.25 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 5.878 8.537 14.854) 18.112 1.071 ( 17.687 11.168 -1.947) 21.008 1.117 ( 5.130 3.982 5.087) 8.250 1.144 ( 1.437 6.033 -3.317) 7.033 1.183 ( 6.981 1.031 -6.408) 9.532 1.468 ( 7.228 0.411 9.282) 11.772 1.508 ( 13.256 -0.580 -0.130) 13.269 1.585 ( -0.800 4.439 -1.056) 4.633 1.813 ( 0.864 -0.679 2.762) 2.972 1.836 ( 0.311 -4.317 1.137) 4.476 1.877 ( 10.825 0.258 0.791) 10.857 1.924 ( 4.967 0.100 -0.424) 4.986 2.022 ( -0.827 -7.204 2.066) 7.540 2.072 ( 2.400 3.863 0.295) 4.557 2.108 ( 1.873 3.605 -1.664) 4.390 2.170 ( 7.118 2.616 3.884) 8.520 2.254 ( -0.563 0.827 -3.611) 3.747 2.269 ( -0.899 -0.851 0.276) 1.268 2.317 ( -0.846 3.797 0.785) 3.969 2.367 ( 4.135 -2.031 3.467) 5.766 2.438 ( -0.864 -6.762 0.882) 6.874 2.478 ( 3.768 0.682 -1.307) 4.046 2.540 ( 8.537 1.213 -3.779) 9.414 2.561 ( -0.181 3.842 -1.995) 4.332 2.589 ( -0.454 -0.509 2.273) 2.373 2.696 ( -5.715 1.719 -0.401) 5.982 2.746 ( -1.364 0.364 -3.090) 3.397 2.795 ( -0.016 0.818 -2.057) 2.213 2.829 ( 1.818 4.536 0.231) 4.892 2.852 ( -1.719 -5.310 -0.779) 5.635 2.885 ( 0.363 -0.704 -0.092) 0.798 2.938 ( -3.092 0.969 0.912) 3.366 3.025 ( -0.311 0.958 1.075) 1.473 3.057 ( 3.470 1.552 -3.038) 4.866 3.065 ( -1.688 2.230 4.815) 5.568 3.105 ( -3.046 1.605 2.607) 4.319 3.161 ( -1.876 -5.007 -0.596) 5.380 3.178 ( -0.023 -1.488 -4.600) 4.835 3.227 ( -7.266 4.483 -0.758) 8.571 3.247 ( -2.064 1.277 -3.215) 4.028 3.290 ( -2.904 -0.969 -0.793) 3.162 3.337 ( -4.779 -1.114 0.920) 4.993 3.381 ( 4.414 -5.521 -1.574) 7.242 3.410 ( -3.547 4.249 -0.956) 5.617 3.433 ( -8.045 -4.333 -7.257) 11.669 3.509 ( -4.237 -2.868 1.113) 5.236 3.535 ( -1.938 -5.775 -1.395) 6.249 3.573 ( 6.076 -2.276 -3.931) 7.586 3.598 ( 0.030 -0.893 0.630) 1.093 3.679 ( -1.308 -0.130 -3.429) 3.673 3.700 ( -2.841 2.408 -0.931) 3.839 3.753 ( -0.052 3.028 0.612) 3.090 3.798 ( -1.603 -2.521 3.185) 4.367 3.878 ( -1.605 8.615 2.025) 8.995 3.883 ( -1.919 4.483 -0.343) 4.888 3.919 ( -0.813 -1.890 -0.645) 2.156 3.976 ( 5.309 0.917 2.694) 6.024 4.026 ( 1.014 -1.641 -0.378) 1.965 4.071 ( -0.350 -2.373 -1.834) 3.020 4.088 ( -3.011 0.892 -1.243) 3.378 4.130 ( -0.314 -1.080 -3.518) 3.693 4.204 ( -2.669 3.019 3.999) 5.677 4.241 ( 2.126 -2.314 0.702) 3.220 4.258 ( 2.191 -2.150 0.856) 3.186 4.311 ( 1.081 1.199 1.081) 1.943 4.354 ( -3.396 -0.508 2.445) 4.215 4.380 ( 2.307 2.141 1.040) 3.315 4.449 ( -1.343 -2.880 -3.482) 4.714 4.484 ( -4.359 -6.910 0.069) 8.170 4.535 ( 1.866 -6.227 1.987) 6.798 4.572 ( -1.681 2.234 2.050) 3.467 4.614 ( 2.101 0.749 3.555) 4.196 4.667 ( -1.253 -5.776 3.022) 6.638 4.710 ( -3.249 2.712 -1.575) 4.516 4.753 ( 4.082 -1.670 -2.517) 5.078 4.779 ( 1.609 0.051 0.025) 1.610 4.832 ( 3.035 0.312 0.487) 3.090 4.882 ( 0.499 4.557 4.185) 6.207 4.930 ( 7.247 0.274 0.038) 7.253 5.008 ( 0.456 -3.208 -2.898) 4.347 5.054 ( 4.199 -0.207 -3.857) 5.705 5.103 ( 1.856 -3.811 0.834) 4.320 5.144 ( 5.095 -1.039 0.542) 5.229 5.200 ( 3.957 -3.452 1.316) 5.414 5.286 ( 6.485 3.425 -1.202) 7.432 5.298 ( 4.429 1.458 -1.655) 4.948 5.347 ( 1.416 0.988 -0.218) 1.741 5.371 ( 1.886 -0.114 -2.758) 3.343 5.453 ( -2.145 2.909 4.157) 5.509 5.473 ( -1.913 -1.051 0.746) 2.307 5.482 ( -1.175 1.900 1.717) 2.818 5.518 ( 4.290 2.056 0.095) 4.758 5.557 ( 2.590 3.518 -5.154) 6.756 5.570 ( 0.183 -3.153 -0.833) 3.266 5.632 ( 2.949 1.884 0.312) 3.513 5.681 ( -3.506 4.205 -1.369) 5.643 5.724 ( 2.996 4.314 -0.637) 5.290 5.733 ( 2.075 0.504 -4.257) 4.763 5.791 ( -5.437 -2.240 -1.950) 6.195 5.811 ( 1.351 3.921 0.831) 4.230 5.878 ( -3.688 5.230 1.097) 6.493 5.926 ( -5.714 -0.075 1.491) 5.906 6.029 ( 1.349 -6.734 2.505) 7.310 6.065 ( -1.475 -2.409 3.713) 4.665 6.149 ( -1.454 -0.490 -1.076) 1.874 6.246 ( -5.200 2.727 1.950) 6.188 6.266 ( -4.059 -2.013 -1.945) 4.931 6.321 ( -3.800 3.306 -0.716) 5.088 6.352 ( -2.744 -2.883 4.692) 6.153 6.407 ( -4.043 -2.454 -0.976) 4.829 6.500 ( -4.853 -0.280 -0.014) 4.861 6.571 ( 0.004 -2.412 0.200) 2.421 6.621 ( -5.067 -1.285 0.587) 5.261 6.674 ( -4.152 -4.175 -0.413) 5.902 6.728 ( -1.478 0.768 -1.540) 2.268 6.740 ( -0.890 -0.978 2.765) 3.065 6.793 ( -1.324 1.093 2.865) 3.340 6.867 ( -1.412 1.167 -0.994) 2.084 6.907 ( -1.860 -0.300 1.984) 2.736 6.934 ( -4.050 -0.691 0.007) 4.109 7.054 ( -2.730 1.143 0.480) 2.998 7.096 ( -2.767 -0.570 -1.990) 3.456 7.184 ( 2.222 -1.018 -4.451) 5.078 7.230 ( 0.282 -1.158 2.391) 2.672 7.351 ( 2.960 0.285 0.584) 3.030 7.423 ( 0.282 4.704 -0.298) 4.722 7.494 ( -2.308 -1.651 -0.802) 2.949 7.520 ( 2.919 2.483 -0.934) 3.945 7.623 ( -0.173 4.258 0.550) 4.297 7.662 ( -0.612 -0.078 0.110) 0.626 7.708 ( -0.746 0.480 2.794) 2.931 7.750 ( -0.700 2.310 -3.199) 4.008 8.279 ( -0.444 0.185 -0.354) 0.597 8.284 ( -0.553 -0.235 0.371) 0.706 8.478 ( -1.477 2.039 -1.281) 2.825 8.518 ( -4.161 0.591 -3.660) 5.573 8.618 ( -1.396 1.824 -0.912) 2.472 8.742 ( 0.157 3.022 0.719) 3.110 8.802 ( 4.886 -1.880 -0.571) 5.266 8.973 ( 1.563 -5.223 -0.783) 5.508 9.030 ( 2.575 -2.920 -0.580) 3.936 9.139 ( 0.902 -4.598 -1.270) 4.854 9.263 ( 4.090 2.263 0.826) 4.747 9.363 ( 6.227 -2.112 1.403) 6.724 9.592 ( 1.468 2.834 -0.566) 3.241 9.720 ( 1.540 -2.201 0.338) 2.708 10.028 ( -3.058 5.299 -1.465) 6.291 10.226 ( 1.084 1.610 2.697) 3.323 10.290 ( -0.683 -2.499 3.903) 4.684 10.414 ( -2.985 -9.673 -1.092) 10.181 10.683 ( -1.893 2.882 1.221) 3.657 10.718 ( -1.549 0.566 1.485) 2.219 11.081 ( 0.508 1.081 0.890) 1.489 11.143 ( -0.129 -1.396 1.222) 1.860 11.180 ( -1.482 2.150 0.659) 2.693 11.244 ( -0.907 -0.300 -1.427) 1.717 11.527 ( 3.949 2.223 -1.007) 4.642 11.578 ( 2.648 1.752 1.435) 3.485 11.650 ( 6.655 0.048 -1.896) 6.920 11.700 ( -0.705 -0.214 -2.871) 2.964 11.991 ( -1.380 1.757 -4.492) 5.017 12.073 ( 1.769 -1.840 -4.555) 5.221 12.108 ( 2.983 0.840 -3.461) 4.646 12.150 ( 0.949 1.205 -3.285) 3.625 12.349 ( 5.429 -1.043 5.578) 7.854 12.425 ( 3.603 -3.824 3.471) 6.296 12.466 ( -0.171 0.981 0.258) 1.028 12.551 ( 1.558 -3.813 1.226) 4.297 12.726 ( -4.850 0.949 2.214) 5.415 12.786 ( -5.372 -1.400 1.056) 5.651 12.889 ( -1.286 2.251 0.594) 2.659 12.981 ( -1.053 -1.408 1.661) 2.419 14.302 ( -1.397 2.000 0.792) 2.565 14.426 ( -0.979 -1.986 1.040) 2.446 14.541 ( -0.807 4.386 0.751) 4.522 14.636 ( -2.233 -0.912 -0.617) 2.489 17.063 ( -0.015 -0.097 -0.533) 0.542 17.079 ( -0.122 -0.355 -2.195) 2.227 17.370 ( 4.037 -1.608 1.443) 4.579 17.536 ( 3.349 -10.357 0.667) 10.906 18.160 ( -0.656 1.324 -2.147) 2.606 18.164 ( -1.975 1.522 -0.008) 2.493 18.379 ( 0.995 1.072 0.386) 1.512 18.402 ( 0.323 0.514 2.505) 2.578 18.819 ( 0.560 1.379 1.482) 2.100 18.918 ( 0.603 -2.409 1.017) 2.683 18.963 ( -0.832 0.851 0.614) 1.339 18.983 ( -1.160 2.483 -0.906) 2.887 19.028 ( 0.864 -2.918 -1.339) 3.325 19.077 ( 0.381 -0.842 0.679) 1.146 19.159 ( 2.763 1.187 1.631) 3.421 19.196 ( 3.479 2.136 1.224) 4.262 19.241 ( -0.368 -0.690 0.608) 0.991 19.278 ( 1.604 0.365 0.378) 1.688 19.327 ( -1.054 5.462 -4.533) 7.176 19.467 ( 1.601 6.240 0.730) 6.484 19.514 ( 3.437 0.525 -0.895) 3.590 19.648 ( 9.020 -4.590 -4.310) 11.000 19.805 ( -0.459 2.783 -6.762) 7.327 20.045 ( 1.376 -7.753 4.708) 9.174 20.229 ( -5.339 0.285 0.874) 5.418 20.298 ( -10.136 -1.809 1.308) 10.379 20.438 ( -5.513 10.833 3.204) 12.570 20.811 ( -5.878 -5.640 0.370) 8.155 ======================= Grid point 10 (8/48) ======================= q-point: (-0.50 0.25 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 0.000 10.533 0.000) 10.533 1.140 ( 0.000 12.502 0.000) 12.502 1.164 ( 0.000 -0.178 0.000) 0.178 1.214 ( 0.000 1.499 0.000) 1.499 1.336 ( 0.000 -1.206 0.000) 1.206 1.489 ( 0.000 10.219 0.000) 10.219 1.565 ( 0.000 -7.114 0.000) 7.114 1.709 ( 0.000 1.139 0.000) 1.139 1.767 ( 0.000 1.920 -0.000) 1.920 1.781 ( 0.000 0.659 0.000) 0.659 1.894 ( 0.000 -2.223 0.000) 2.223 2.043 ( 0.000 -1.173 0.000) 1.173 2.090 ( -0.000 -5.095 0.000) 5.095 2.097 ( 0.000 4.115 0.000) 4.115 2.141 ( 0.000 3.277 -0.000) 3.277 2.234 ( 0.000 -0.357 -0.000) 0.357 2.241 ( 0.000 -4.619 0.000) 4.619 2.256 ( 0.000 2.590 0.000) 2.590 2.336 ( 0.000 0.668 0.000) 0.668 2.355 ( 0.000 -0.775 -0.000) 0.775 2.437 ( 0.000 3.690 0.000) 3.690 2.512 ( -0.000 -1.750 -0.000) 1.750 2.521 ( 0.000 -6.647 0.000) 6.647 2.552 ( 0.000 -4.294 -0.000) 4.294 2.672 ( -0.000 5.940 -0.000) 5.940 2.672 ( 0.000 1.393 0.000) 1.393 2.759 ( 0.000 -2.507 0.000) 2.507 2.787 ( -0.000 0.885 -0.000) 0.885 2.874 ( 0.000 4.108 0.000) 4.108 2.881 ( -0.000 6.179 0.000) 6.179 2.892 ( 0.000 7.456 -0.000) 7.456 2.906 ( 0.000 -4.664 0.000) 4.664 2.974 ( 0.000 3.195 0.000) 3.195 3.043 ( 0.000 -0.159 -0.000) 0.159 3.047 ( -0.000 -3.784 0.000) 3.784 3.089 ( 0.000 -2.792 -0.000) 2.792 3.132 ( -0.000 -0.775 -0.000) 0.775 3.149 ( 0.000 0.159 0.000) 0.159 3.194 ( 0.000 -1.169 -0.000) 1.169 3.228 ( 0.000 -0.911 0.000) 0.911 3.262 ( 0.000 2.413 -0.000) 2.413 3.284 ( 0.000 -2.559 -0.000) 2.559 3.332 ( 0.000 4.139 -0.000) 4.139 3.393 ( 0.000 -1.683 -0.000) 1.683 3.397 ( 0.000 5.150 0.000) 5.150 3.479 ( 0.000 -8.852 0.000) 8.852 3.517 ( 0.000 -4.833 0.000) 4.833 3.601 ( 0.000 6.910 0.000) 6.910 3.620 ( 0.000 -0.644 -0.000) 0.644 3.661 ( 0.000 2.351 0.000) 2.351 3.695 ( 0.000 -8.090 0.000) 8.090 3.757 ( 0.000 6.794 -0.000) 6.794 3.785 ( 0.000 -3.515 0.000) 3.515 3.845 ( 0.000 -4.083 -0.000) 4.083 3.880 ( 0.000 12.433 0.000) 12.433 3.943 ( 0.000 1.542 0.000) 1.542 3.967 ( 0.000 -2.256 -0.000) 2.256 4.035 ( 0.000 0.032 0.000) 0.032 4.062 ( 0.000 7.459 0.000) 7.459 4.069 ( 0.000 -3.741 -0.000) 3.741 4.155 ( 0.000 -2.748 -0.000) 2.748 4.176 ( -0.000 3.710 0.000) 3.710 4.237 ( 0.000 -6.756 0.000) 6.756 4.276 ( 0.000 -2.242 -0.000) 2.242 4.341 ( 0.000 6.242 -0.000) 6.242 4.344 ( -0.000 -6.355 0.000) 6.355 4.385 ( 0.000 -2.604 0.000) 2.604 4.402 ( -0.000 -8.991 -0.000) 8.991 4.445 ( 0.000 -1.260 -0.000) 1.260 4.552 ( 0.000 -0.756 -0.000) 0.756 4.589 ( -0.000 -6.827 0.000) 6.827 4.626 ( 0.000 -0.801 -0.000) 0.801 4.664 ( -0.000 0.954 -0.000) 0.954 4.688 ( 0.000 2.867 0.000) 2.867 4.734 ( 0.000 -4.661 -0.000) 4.661 4.802 ( 0.000 -2.579 0.000) 2.579 4.860 ( 0.000 -2.358 -0.000) 2.358 4.876 ( 0.000 7.057 0.000) 7.057 4.980 ( 0.000 -0.053 -0.000) 0.053 5.046 ( 0.000 -0.153 0.000) 0.153 5.147 ( 0.000 -3.553 0.000) 3.553 5.153 ( -0.000 -3.252 -0.000) 3.252 5.218 ( 0.000 -2.361 0.000) 2.361 5.261 ( 0.000 -1.597 -0.000) 1.597 5.298 ( 0.000 0.636 0.000) 0.636 5.334 ( 0.000 0.972 -0.000) 0.972 5.354 ( -0.000 6.760 -0.000) 6.760 5.379 ( 0.000 -5.589 0.000) 5.589 5.386 ( 0.000 2.298 0.000) 2.298 5.437 ( 0.000 -4.307 0.000) 4.307 5.506 ( 0.000 2.233 0.000) 2.233 5.557 ( -0.000 5.101 -0.000) 5.101 5.577 ( 0.000 0.065 0.000) 0.065 5.608 ( 0.000 1.312 0.000) 1.312 5.608 ( -0.000 5.763 -0.000) 5.763 5.675 ( 0.000 4.431 -0.000) 4.431 5.721 ( 0.000 4.610 0.000) 4.610 5.724 ( 0.000 -3.261 0.000) 3.261 5.780 ( 0.000 5.703 0.000) 5.703 5.815 ( -0.000 5.502 0.000) 5.502 5.862 ( 0.000 2.721 0.000) 2.721 5.881 ( 0.000 2.006 -0.000) 2.006 6.045 ( 0.000 -1.654 0.000) 1.654 6.073 ( 0.000 -3.174 -0.000) 3.174 6.114 ( 0.000 3.003 0.000) 3.003 6.180 ( 0.000 0.058 0.000) 0.058 6.224 ( 0.000 0.143 0.000) 0.143 6.278 ( 0.000 3.278 0.000) 3.278 6.312 ( 0.000 3.559 -0.000) 3.559 6.370 ( 0.000 -4.303 0.000) 4.303 6.462 ( 0.000 -4.355 0.000) 4.355 6.571 ( 0.000 -4.362 0.000) 4.362 6.591 ( -0.000 -3.150 -0.000) 3.150 6.609 ( 0.000 -2.459 0.000) 2.459 6.727 ( -0.000 -1.234 0.000) 1.234 6.733 ( 0.000 -0.446 -0.000) 0.446 6.796 ( 0.000 0.729 -0.000) 0.729 6.855 ( 0.000 -1.183 -0.000) 1.183 6.884 ( 0.000 -1.565 0.000) 1.565 6.899 ( 0.000 0.873 -0.000) 0.873 7.033 ( 0.000 -0.348 0.000) 0.348 7.057 ( -0.000 -0.922 -0.000) 0.922 7.187 ( 0.000 -1.033 -0.000) 1.033 7.240 ( 0.000 -2.518 0.000) 2.518 7.405 ( 0.000 -1.323 0.000) 1.323 7.415 ( -0.000 5.932 -0.000) 5.932 7.466 ( 0.000 -1.287 -0.000) 1.287 7.532 ( 0.000 3.420 -0.000) 3.420 7.641 ( -0.000 3.073 -0.000) 3.073 7.645 ( 0.000 2.214 0.000) 2.214 7.709 ( 0.000 -0.034 0.000) 0.034 7.746 ( 0.000 -0.091 -0.000) 0.091 8.275 ( 0.000 -0.199 -0.000) 0.199 8.280 ( 0.000 -0.346 0.000) 0.346 8.464 ( 0.000 1.677 -0.000) 1.677 8.465 ( 0.000 2.576 0.000) 2.576 8.600 ( 0.000 2.232 -0.000) 2.232 8.754 ( 0.000 3.282 0.000) 3.282 8.845 ( 0.000 -2.168 0.000) 2.168 8.979 ( 0.000 -2.894 -0.000) 2.894 9.072 ( 0.000 -7.479 0.000) 7.479 9.143 ( 0.000 -4.557 -0.000) 4.557 9.300 ( 0.000 2.940 0.000) 2.940 9.424 ( 0.000 -2.492 -0.000) 2.492 9.606 ( 0.000 2.854 0.000) 2.854 9.737 ( 0.000 -2.437 0.000) 2.437 10.000 ( 0.000 4.809 0.000) 4.809 10.240 ( 0.000 0.817 -0.000) 0.817 10.273 ( -0.000 -1.658 0.000) 1.658 10.381 ( 0.000 -10.407 0.000) 10.407 10.667 ( 0.000 3.039 0.000) 3.039 10.710 ( 0.000 0.252 -0.000) 0.252 11.094 ( 0.000 1.426 0.000) 1.426 11.154 ( 0.000 -0.911 -0.000) 0.911 11.164 ( 0.000 1.964 0.000) 1.964 11.231 ( 0.000 -0.898 -0.000) 0.898 11.588 ( 0.000 1.635 0.000) 1.635 11.606 ( 0.000 1.008 -0.000) 1.008 11.687 ( 0.000 1.465 0.000) 1.465 11.720 ( 0.000 -0.270 -0.000) 0.270 11.955 ( 0.000 0.734 0.000) 0.734 12.021 ( 0.000 -1.241 0.000) 1.241 12.125 ( 0.000 2.009 -0.000) 2.009 12.154 ( 0.000 0.817 0.000) 0.817 12.419 ( 0.000 -0.831 0.000) 0.831 12.465 ( 0.000 0.659 0.000) 0.659 12.546 ( 0.000 0.835 0.000) 0.835 12.554 ( -0.000 -3.433 -0.000) 3.433 12.625 ( -0.000 0.747 0.000) 0.747 12.740 ( 0.000 -2.171 -0.000) 2.171 12.882 ( 0.000 2.468 0.000) 2.468 12.980 ( 0.000 -1.442 0.000) 1.442 14.294 ( 0.000 1.339 0.000) 1.339 14.420 ( 0.000 -2.505 0.000) 2.505 14.535 ( 0.000 4.287 0.000) 4.287 14.614 ( 0.000 -0.404 -0.000) 0.404 17.061 ( 0.000 -0.221 0.000) 0.221 17.071 ( 0.000 -0.466 0.000) 0.466 17.414 ( 0.000 -2.046 0.000) 2.046 17.560 ( 0.000 -8.334 0.000) 8.334 18.143 ( 0.000 1.920 0.000) 1.920 18.151 ( 0.000 0.721 0.000) 0.721 18.390 ( 0.000 1.416 0.000) 1.416 18.411 ( 0.000 1.235 -0.000) 1.235 18.829 ( 0.000 1.327 0.000) 1.327 18.925 ( 0.000 -2.181 0.000) 2.181 18.956 ( 0.000 4.403 -0.000) 4.403 18.971 ( 0.000 -0.145 0.000) 0.145 19.033 ( 0.000 -3.404 0.000) 3.404 19.082 ( 0.000 -0.527 -0.000) 0.527 19.209 ( -0.000 0.001 -0.000) 0.001 19.215 ( 0.000 0.270 0.000) 0.270 19.245 ( 0.000 2.152 -0.000) 2.152 19.297 ( 0.000 5.574 0.000) 5.574 19.303 ( 0.000 0.972 -0.000) 0.972 19.474 ( 0.000 8.004 0.000) 8.004 19.530 ( 0.000 -0.485 0.000) 0.485 19.727 ( 0.000 -0.939 0.000) 0.939 19.821 ( 0.000 -1.129 -0.000) 1.129 20.056 ( 0.000 -9.554 -0.000) 9.554 20.165 ( 0.000 -1.021 0.000) 1.021 20.201 ( 0.000 -1.351 -0.000) 1.351 20.407 ( 0.000 8.609 0.000) 8.609 20.758 ( 0.000 -5.848 0.000) 5.848 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 -0.50 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 0.000 -11.111 0.000) 11.111 0.662 ( 0.000 11.111 0.000) 11.111 0.753 ( 0.000 -13.759 0.000) 13.759 0.753 ( 0.000 13.759 0.000) 13.759 1.253 ( 0.000 -4.152 0.000) 4.152 1.253 ( 0.000 4.152 0.000) 4.152 1.483 ( 0.000 -8.002 0.000) 8.002 1.483 ( 0.000 8.002 0.000) 8.002 1.721 ( 0.000 -10.205 0.000) 10.205 1.721 ( 0.000 10.205 0.000) 10.205 1.872 ( 0.000 -5.269 0.000) 5.269 1.872 ( 0.000 5.269 0.000) 5.269 1.994 ( 0.000 -16.956 0.000) 16.956 1.994 ( 0.000 16.956 0.000) 16.956 2.012 ( 0.000 -6.859 0.000) 6.859 2.012 ( 0.000 6.859 0.000) 6.859 2.140 ( 0.000 -7.628 0.000) 7.628 2.140 ( 0.000 7.628 0.000) 7.628 2.312 ( 0.000 -1.364 0.000) 1.364 2.312 ( 0.000 1.364 0.000) 1.364 2.395 ( 0.000 -1.464 0.000) 1.464 2.395 ( 0.000 1.464 0.000) 1.464 2.525 ( 0.000 -6.846 0.000) 6.846 2.525 ( 0.000 6.846 0.000) 6.846 2.642 ( 0.000 -0.968 0.000) 0.968 2.642 ( 0.000 0.968 0.000) 0.968 2.738 ( 0.000 -3.204 0.000) 3.204 2.738 ( 0.000 3.204 0.000) 3.204 2.843 ( 0.000 -4.884 0.000) 4.884 2.843 ( 0.000 4.884 0.000) 4.884 2.960 ( 0.000 -0.245 0.000) 0.245 2.960 ( 0.000 0.245 0.000) 0.245 3.097 ( 0.000 -3.510 0.000) 3.510 3.097 ( 0.000 3.510 0.000) 3.510 3.175 ( 0.000 -3.815 0.000) 3.815 3.175 ( 0.000 3.815 0.000) 3.815 3.239 ( 0.000 -2.458 0.000) 2.458 3.239 ( 0.000 2.458 0.000) 2.458 3.312 ( 0.000 -5.012 0.000) 5.012 3.312 ( 0.000 5.012 0.000) 5.012 3.390 ( 0.000 -5.523 0.000) 5.523 3.390 ( 0.000 5.523 0.000) 5.523 3.442 ( 0.000 -4.429 0.000) 4.429 3.442 ( 0.000 4.429 0.000) 4.429 3.540 ( 0.000 -1.725 0.000) 1.725 3.540 ( 0.000 1.725 0.000) 1.725 3.607 ( 0.000 -2.698 0.000) 2.698 3.607 ( 0.000 2.698 0.000) 2.698 3.723 ( 0.000 -3.058 0.000) 3.058 3.723 ( 0.000 3.058 0.000) 3.058 3.821 ( 0.000 -2.822 0.000) 2.822 3.821 ( 0.000 2.822 0.000) 2.822 3.916 ( 0.000 -4.785 0.000) 4.785 3.916 ( 0.000 4.785 0.000) 4.785 3.939 ( 0.000 -4.481 0.000) 4.481 3.939 ( 0.000 4.481 0.000) 4.481 4.012 ( 0.000 -0.500 0.000) 0.500 4.012 ( 0.000 0.500 0.000) 0.500 4.066 ( 0.000 -3.546 0.000) 3.546 4.066 ( 0.000 3.546 0.000) 3.546 4.099 ( 0.000 -2.178 0.000) 2.178 4.099 ( 0.000 2.178 0.000) 2.178 4.198 ( 0.000 -1.330 0.000) 1.330 4.198 ( 0.000 1.330 0.000) 1.330 4.284 ( 0.000 -0.861 0.000) 0.861 4.284 ( 0.000 0.861 0.000) 0.861 4.390 ( 0.000 -5.392 0.000) 5.392 4.390 ( 0.000 5.392 0.000) 5.392 4.514 ( 0.000 -6.747 0.000) 6.747 4.514 ( 0.000 6.747 0.000) 6.747 4.605 ( 0.000 -4.122 0.000) 4.122 4.605 ( 0.000 4.122 0.000) 4.122 4.676 ( 0.000 -13.282 0.000) 13.282 4.676 ( 0.000 13.282 0.000) 13.282 4.727 ( 0.000 -4.262 0.000) 4.262 4.727 ( 0.000 4.262 0.000) 4.262 4.803 ( 0.000 -5.244 0.000) 5.244 4.803 ( 0.000 5.244 0.000) 5.244 4.920 ( 0.000 -0.398 0.000) 0.398 4.920 ( 0.000 0.398 0.000) 0.398 4.973 ( 0.000 -1.921 0.000) 1.921 4.973 ( 0.000 1.921 0.000) 1.921 5.060 ( 0.000 -1.188 0.000) 1.188 5.060 ( 0.000 1.188 0.000) 1.188 5.209 ( 0.000 -3.515 0.000) 3.515 5.209 ( 0.000 3.515 0.000) 3.515 5.267 ( 0.000 -6.398 0.000) 6.398 5.267 ( 0.000 6.398 0.000) 6.398 5.364 ( 0.000 -2.727 0.000) 2.727 5.364 ( 0.000 2.727 0.000) 2.727 5.513 ( 0.000 -0.805 0.000) 0.805 5.513 ( 0.000 0.805 0.000) 0.805 5.576 ( 0.000 -3.041 0.000) 3.041 5.576 ( 0.000 3.041 0.000) 3.041 5.616 ( 0.000 -0.200 0.000) 0.200 5.616 ( 0.000 0.200 0.000) 0.200 5.740 ( 0.000 -5.128 0.000) 5.128 5.740 ( 0.000 5.128 0.000) 5.128 5.805 ( 0.000 -0.617 0.000) 0.617 5.805 ( 0.000 0.617 0.000) 0.617 5.964 ( 0.000 -5.701 0.000) 5.701 5.964 ( 0.000 5.701 0.000) 5.701 6.185 ( 0.000 -4.452 0.000) 4.452 6.185 ( 0.000 4.452 0.000) 4.452 6.221 ( 0.000 -5.744 0.000) 5.744 6.221 ( 0.000 5.744 0.000) 5.744 6.345 ( 0.000 -3.585 0.000) 3.585 6.345 ( 0.000 3.585 0.000) 3.585 6.471 ( 0.000 -0.697 0.000) 0.697 6.471 ( 0.000 0.697 0.000) 0.697 6.589 ( 0.000 -3.912 0.000) 3.912 6.589 ( 0.000 3.912 0.000) 3.912 6.693 ( 0.000 -0.888 0.000) 0.888 6.693 ( 0.000 0.888 0.000) 0.888 6.764 ( 0.000 -3.746 0.000) 3.746 6.764 ( 0.000 3.746 0.000) 3.746 6.859 ( 0.000 -2.002 0.000) 2.002 6.859 ( 0.000 2.002 0.000) 2.002 6.993 ( 0.000 -1.578 0.000) 1.578 6.993 ( 0.000 1.578 0.000) 1.578 7.131 ( 0.000 -0.293 0.000) 0.293 7.131 ( 0.000 0.293 0.000) 0.293 7.226 ( 0.000 -3.515 0.000) 3.515 7.226 ( 0.000 3.515 0.000) 3.515 7.384 ( 0.000 -0.258 0.000) 0.258 7.384 ( 0.000 0.258 0.000) 0.258 7.592 ( 0.000 -0.036 0.000) 0.036 7.592 ( 0.000 0.036 0.000) 0.036 7.691 ( 0.000 -2.469 0.000) 2.469 7.691 ( 0.000 2.469 0.000) 2.469 7.770 ( 0.000 -9.048 0.000) 9.048 7.770 ( 0.000 9.048 0.000) 9.048 8.304 ( 0.000 -0.068 0.000) 0.068 8.304 ( 0.000 0.068 0.000) 0.068 8.554 ( 0.000 -0.273 0.000) 0.273 8.554 ( 0.000 0.273 0.000) 0.273 8.711 ( 0.000 -2.416 0.000) 2.416 8.711 ( 0.000 2.416 0.000) 2.416 8.818 ( 0.000 -3.531 0.000) 3.531 8.818 ( 0.000 3.531 0.000) 3.531 9.105 ( 0.000 -1.366 0.000) 1.366 9.105 ( 0.000 1.366 0.000) 1.366 9.194 ( 0.000 -0.016 0.000) 0.016 9.194 ( 0.000 0.016 0.000) 0.016 9.631 ( 0.000 -3.053 0.000) 3.053 9.631 ( 0.000 3.053 0.000) 3.053 10.120 ( 0.000 -1.600 0.000) 1.600 10.120 ( 0.000 1.600 0.000) 1.600 10.328 ( 0.000 -10.053 0.000) 10.053 10.328 ( 0.000 10.053 0.000) 10.053 10.804 ( 0.000 -0.667 0.000) 0.667 10.804 ( 0.000 0.667 0.000) 0.667 11.109 ( 0.000 -0.590 0.000) 0.590 11.109 ( 0.000 0.590 0.000) 0.590 11.267 ( 0.000 -0.785 0.000) 0.785 11.267 ( 0.000 0.785 0.000) 0.785 11.492 ( 0.000 -2.970 0.000) 2.970 11.492 ( 0.000 2.970 0.000) 2.970 11.602 ( 0.000 -2.196 0.000) 2.196 11.602 ( 0.000 2.196 0.000) 2.196 11.860 ( 0.000 -0.599 0.000) 0.599 11.860 ( 0.000 0.599 0.000) 0.599 12.037 ( 0.000 -3.892 0.000) 3.892 12.037 ( 0.000 3.892 0.000) 3.892 12.223 ( 0.000 -2.232 0.000) 2.232 12.223 ( 0.000 2.232 0.000) 2.232 12.495 ( 0.000 -1.229 0.000) 1.229 12.495 ( 0.000 1.229 0.000) 1.229 12.833 ( 0.000 -4.108 0.000) 4.108 12.833 ( 0.000 4.108 0.000) 4.108 12.988 ( 0.000 -2.061 0.000) 2.061 12.988 ( 0.000 2.061 0.000) 2.061 14.442 ( 0.000 -0.131 0.000) 0.131 14.442 ( 0.000 0.131 0.000) 0.131 14.655 ( 0.000 -4.188 0.000) 4.188 14.655 ( 0.000 4.188 0.000) 4.188 17.078 ( 0.000 -1.395 0.000) 1.395 17.078 ( 0.000 1.395 0.000) 1.395 17.228 ( 0.000 -2.523 0.000) 2.523 17.228 ( 0.000 2.523 0.000) 2.523 18.239 ( 0.000 -2.807 0.000) 2.807 18.239 ( 0.000 2.807 0.000) 2.807 18.335 ( 0.000 -1.435 0.000) 1.435 18.335 ( 0.000 1.435 0.000) 1.435 18.822 ( 0.000 -1.792 0.000) 1.792 18.822 ( 0.000 1.792 0.000) 1.792 19.002 ( 0.000 -1.383 0.000) 1.383 19.002 ( 0.000 1.383 0.000) 1.383 19.053 ( 0.000 -0.214 0.000) 0.214 19.053 ( 0.000 0.214 0.000) 0.214 19.126 ( 0.000 -1.916 0.000) 1.916 19.126 ( 0.000 1.916 0.000) 1.916 19.187 ( 0.000 -0.090 0.000) 0.090 19.187 ( 0.000 0.090 0.000) 0.090 19.344 ( 0.000 -1.709 0.000) 1.709 19.344 ( 0.000 1.709 0.000) 1.709 19.486 ( 0.000 -2.852 0.000) 2.852 19.486 ( 0.000 2.852 0.000) 2.852 19.935 ( 0.000 -0.320 0.000) 0.320 19.935 ( 0.000 0.320 0.000) 0.320 20.423 ( 0.000 -5.795 0.000) 5.795 20.423 ( 0.000 5.795 0.000) 5.795 20.953 ( 0.000 -1.915 0.000) 1.915 20.953 ( 0.000 1.915 0.000) 1.915 ======================= Grid point 16 (10/48) ======================= q-point: ( 0.17 -0.50 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 10.082 -7.277 9.133) 15.428 0.796 ( 10.082 7.277 9.133) 15.428 1.006 ( 18.271 -4.016 -0.100) 18.707 1.006 ( 18.271 4.016 -0.100) 18.707 1.269 ( 6.580 -6.071 -0.273) 8.957 1.269 ( 6.580 6.071 -0.273) 8.957 1.487 ( 1.235 -11.401 2.166) 11.671 1.487 ( 1.235 11.401 2.166) 11.671 1.780 ( -0.217 -6.409 3.725) 7.416 1.780 ( -0.217 6.409 3.725) 7.416 1.851 ( -0.250 -1.318 -1.393) 1.934 1.851 ( -0.250 1.318 -1.393) 1.934 1.998 ( 4.813 -4.819 -4.196) 8.000 1.998 ( 4.813 4.819 -4.196) 8.000 2.100 ( 9.065 -5.712 -2.846) 11.087 2.100 ( 9.065 5.712 -2.846) 11.087 2.202 ( 1.967 -6.686 5.035) 8.598 2.202 ( 1.967 6.686 5.035) 8.598 2.329 ( -0.585 -3.385 1.903) 3.928 2.329 ( -0.585 3.385 1.903) 3.928 2.382 ( 1.789 -0.550 -1.746) 2.560 2.382 ( 1.789 0.550 -1.746) 2.560 2.523 ( 1.257 -3.876 2.787) 4.937 2.523 ( 1.257 3.876 2.787) 4.937 2.688 ( 2.514 -2.401 2.732) 4.422 2.688 ( 2.514 2.401 2.732) 4.422 2.755 ( 1.244 -6.324 0.244) 6.450 2.755 ( 1.244 6.324 0.244) 6.450 2.812 ( -2.621 -4.487 -1.308) 5.358 2.812 ( -2.621 4.487 -1.308) 5.358 2.947 ( -0.578 -4.527 -2.580) 5.243 2.947 ( -0.578 4.527 -2.580) 5.243 3.095 ( -3.652 -0.821 0.191) 3.748 3.095 ( -3.652 0.821 0.191) 3.748 3.105 ( -1.013 -2.299 -2.259) 3.379 3.105 ( -1.013 2.299 -2.259) 3.379 3.190 ( -4.284 -5.368 -2.106) 7.184 3.190 ( -4.284 5.368 -2.106) 7.184 3.298 ( -2.575 -3.650 0.292) 4.477 3.298 ( -2.575 3.650 0.292) 4.477 3.355 ( -4.974 -1.198 -0.982) 5.210 3.355 ( -4.974 1.198 -0.982) 5.210 3.428 ( 0.084 -1.603 0.793) 1.790 3.428 ( 0.084 1.603 0.793) 1.790 3.492 ( -0.162 -2.147 -1.813) 2.815 3.492 ( -0.162 2.147 -1.813) 2.815 3.600 ( -5.049 -5.277 -7.678) 10.597 3.600 ( -5.049 5.277 -7.678) 10.597 3.669 ( -3.026 -3.095 -0.772) 4.397 3.669 ( -3.026 3.095 -0.772) 4.397 3.787 ( -0.923 -0.880 -1.100) 1.683 3.787 ( -0.923 0.880 -1.100) 1.683 3.847 ( -1.439 -1.192 -2.518) 3.136 3.847 ( -1.439 1.192 -2.518) 3.136 3.957 ( -1.181 -1.515 -0.724) 2.053 3.957 ( -1.181 1.515 -0.724) 2.053 4.031 ( 0.241 -2.604 0.943) 2.780 4.031 ( 0.241 2.604 0.943) 2.780 4.079 ( 1.658 -2.369 2.192) 3.628 4.079 ( 1.658 2.369 2.192) 3.628 4.175 ( 1.460 -1.841 2.001) 3.086 4.175 ( 1.460 1.841 2.001) 3.086 4.219 ( 0.462 -3.465 -0.864) 3.601 4.219 ( 0.462 3.465 -0.864) 3.601 4.287 ( 4.094 -4.012 5.481) 7.931 4.287 ( 4.094 4.012 5.481) 7.931 4.399 ( -3.825 -5.191 3.186) 7.192 4.399 ( -3.825 5.191 3.186) 7.192 4.497 ( 0.036 -3.326 1.044) 3.486 4.497 ( 0.036 3.326 1.044) 3.486 4.594 ( -3.628 -8.998 -2.905) 10.127 4.594 ( -3.628 8.998 -2.905) 10.127 4.670 ( 4.381 -3.969 -1.328) 6.059 4.670 ( 4.381 3.969 -1.328) 6.059 4.751 ( 0.221 -2.469 -3.253) 4.090 4.751 ( 0.221 2.469 -3.253) 4.090 4.825 ( 1.222 -4.800 4.285) 6.549 4.825 ( 1.222 4.800 4.285) 6.549 4.917 ( -0.106 -1.536 2.116) 2.617 4.917 ( -0.106 1.536 2.116) 2.617 5.002 ( 5.165 -0.776 -1.697) 5.492 5.002 ( 5.165 0.776 -1.697) 5.492 5.102 ( -0.172 -3.865 -2.937) 4.857 5.102 ( -0.172 3.865 -2.937) 4.857 5.185 ( 8.572 -4.355 -2.001) 9.821 5.185 ( 8.572 4.355 -2.001) 9.821 5.352 ( 2.124 -5.960 2.636) 6.854 5.352 ( 2.124 5.960 2.636) 6.854 5.430 ( 4.080 -2.121 1.248) 4.765 5.430 ( 4.080 2.121 1.248) 4.765 5.515 ( 0.637 -0.500 -0.955) 1.252 5.515 ( 0.637 0.500 -0.955) 1.252 5.557 ( -1.530 -3.008 2.348) 4.111 5.557 ( -1.530 3.008 2.348) 4.111 5.655 ( 5.021 -2.610 -3.825) 6.831 5.655 ( 5.021 2.610 -3.825) 6.831 5.741 ( -1.866 -5.632 3.469) 6.873 5.741 ( -1.866 5.632 3.469) 6.873 5.822 ( 2.104 -2.080 1.724) 3.424 5.822 ( 2.104 2.080 1.724) 3.424 5.913 ( -3.483 -7.698 -0.360) 8.457 5.913 ( -3.483 7.698 -0.360) 8.457 6.085 ( -7.777 -4.055 -2.158) 9.032 6.085 ( -7.777 4.055 -2.158) 9.032 6.217 ( -0.705 -3.474 -1.581) 3.881 6.217 ( -0.705 3.474 -1.581) 3.881 6.319 ( -1.651 -0.635 3.209) 3.664 6.319 ( -1.651 0.635 3.209) 3.664 6.438 ( -3.478 -0.375 -0.217) 3.505 6.438 ( -3.478 0.375 -0.217) 3.505 6.603 ( -1.176 -2.490 0.395) 2.782 6.603 ( -1.176 2.490 0.395) 2.782 6.700 ( -4.129 -3.242 0.653) 5.290 6.700 ( -4.129 3.242 0.653) 5.290 6.754 ( -0.601 -1.238 1.200) 1.826 6.754 ( -0.601 1.238 1.200) 1.826 6.835 ( 0.007 -3.276 0.262) 3.287 6.835 ( 0.007 3.276 0.262) 3.287 6.986 ( -1.953 -1.350 0.099) 2.376 6.986 ( -1.953 1.350 0.099) 2.376 7.129 ( -1.250 -1.243 0.843) 1.954 7.129 ( -1.250 1.243 0.843) 1.954 7.215 ( -1.548 -3.978 -0.923) 4.367 7.215 ( -1.548 3.978 -0.923) 4.367 7.375 ( -0.133 -2.970 1.296) 3.243 7.375 ( -0.133 2.970 1.296) 3.243 7.545 ( -1.957 -1.254 -3.316) 4.049 7.545 ( -1.957 1.254 -3.316) 4.049 7.680 ( -1.642 -1.574 2.244) 3.195 7.680 ( -1.642 1.574 2.244) 3.195 7.768 ( -0.048 -5.691 -2.558) 6.240 7.768 ( -0.048 5.691 -2.558) 6.240 8.293 ( -0.922 -0.044 0.259) 0.959 8.293 ( -0.922 0.044 0.259) 0.959 8.546 ( -0.585 -1.783 -1.680) 2.518 8.546 ( -0.585 1.783 -1.680) 2.518 8.709 ( -0.308 -0.844 0.510) 1.033 8.709 ( -0.308 0.844 0.510) 1.033 8.810 ( 0.110 -4.538 -1.160) 4.685 8.810 ( 0.110 4.538 -1.160) 4.685 9.106 ( -3.857 -2.856 -2.496) 5.409 9.106 ( -3.857 2.856 -2.496) 5.409 9.189 ( 5.914 -2.041 0.136) 6.258 9.189 ( 5.914 2.041 0.136) 6.258 9.639 ( 1.160 -3.184 -0.728) 3.466 9.639 ( 1.160 3.184 -0.728) 3.466 10.170 ( 2.569 -2.315 3.948) 5.249 10.170 ( 2.569 2.315 3.948) 5.249 10.296 ( -2.277 -8.274 -1.539) 8.718 10.296 ( -2.277 8.274 -1.539) 8.718 10.754 ( -3.288 -0.843 0.555) 3.440 10.754 ( -3.288 0.843 0.555) 3.440 11.107 ( -0.593 -1.404 0.540) 1.617 11.107 ( -0.593 1.404 0.540) 1.617 11.252 ( -1.542 -1.849 0.893) 2.568 11.252 ( -1.542 1.849 0.893) 2.568 11.553 ( -0.338 -1.898 -1.468) 2.423 11.553 ( -0.338 1.898 -1.468) 2.423 11.628 ( 5.687 -4.324 -1.373) 7.275 11.628 ( 5.687 4.324 -1.373) 7.275 11.946 ( 10.304 -3.345 -1.476) 10.934 11.946 ( 10.304 3.345 -1.476) 10.934 12.079 ( 3.764 -2.591 -1.488) 4.806 12.079 ( 3.764 2.591 -1.488) 4.806 12.245 ( 1.569 -1.580 4.227) 4.778 12.245 ( 1.569 1.580 4.227) 4.778 12.494 ( -0.122 -1.438 0.096) 1.446 12.494 ( -0.122 1.438 0.096) 1.446 12.817 ( -2.526 -3.127 1.448) 4.273 12.817 ( -2.526 3.127 1.448) 4.273 12.966 ( -2.099 -2.214 0.448) 3.084 12.966 ( -2.099 2.214 0.448) 3.084 14.412 ( -3.074 -2.043 0.541) 3.731 14.412 ( -3.074 2.043 0.541) 3.731 14.635 ( -1.766 -3.431 0.009) 3.858 14.635 ( -1.766 3.431 0.009) 3.858 17.077 ( -0.013 -1.102 -0.900) 1.423 17.077 ( -0.013 1.102 -0.900) 1.423 17.290 ( 5.491 -2.709 1.381) 6.276 17.290 ( 5.491 2.709 1.381) 6.276 18.215 ( -1.881 -1.394 -0.964) 2.532 18.215 ( -1.881 1.394 -0.964) 2.532 18.360 ( 1.912 -0.372 1.337) 2.362 18.360 ( 1.912 0.372 1.337) 2.362 18.837 ( 1.176 -2.210 0.763) 2.617 18.837 ( 1.176 2.210 0.763) 2.617 18.991 ( -0.639 -1.159 -0.010) 1.324 18.991 ( -0.639 1.159 -0.010) 1.324 19.053 ( -0.985 -0.913 0.675) 1.503 19.053 ( -0.985 0.913 0.675) 1.503 19.138 ( 2.558 -2.604 0.344) 3.666 19.138 ( 2.558 2.604 0.344) 3.666 19.216 ( 1.704 -1.443 1.016) 2.453 19.216 ( 1.704 1.443 1.016) 2.453 19.406 ( 6.278 -1.812 -0.386) 6.545 19.406 ( 6.278 1.812 -0.386) 6.545 19.487 ( 1.614 -4.305 -3.287) 5.651 19.487 ( 1.614 4.305 -3.287) 5.651 19.928 ( -0.798 -2.408 -0.724) 2.638 19.928 ( -0.798 2.408 -0.724) 2.638 20.378 ( -5.634 -4.549 1.454) 7.386 20.378 ( -5.634 4.549 1.454) 7.386 20.827 ( -11.248 -6.396 -1.101) 12.986 20.827 ( -11.248 6.396 -1.101) 12.986 ======================= Grid point 18 (11/48) ======================= q-point: ( 0.33 -0.50 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 7.874 -4.606 12.076) 15.135 1.033 ( 7.874 4.606 12.076) 15.135 1.162 ( 7.568 -2.013 -7.231) 10.660 1.162 ( 7.568 2.013 -7.231) 10.660 1.448 ( 2.460 -4.917 1.298) 5.649 1.448 ( 2.460 4.917 1.298) 5.649 1.631 ( 12.340 -13.634 2.132) 18.512 1.631 ( 12.340 13.634 2.132) 18.512 1.735 ( 0.541 -8.110 0.365) 8.136 1.735 ( 0.541 8.110 0.365) 8.136 1.895 ( 3.640 -0.682 0.974) 3.829 1.895 ( 3.640 0.682 0.974) 3.829 2.071 ( -0.543 -9.227 -4.321) 10.203 2.071 ( -0.543 9.227 -4.321) 10.203 2.117 ( 0.727 -3.156 -1.354) 3.510 2.117 ( 0.727 3.156 -1.354) 3.510 2.261 ( 1.179 -2.771 3.489) 4.609 2.261 ( 1.179 2.771 3.489) 4.609 2.364 ( 1.715 -1.332 -0.688) 2.278 2.364 ( 1.715 1.332 -0.688) 2.278 2.432 ( 3.182 -3.083 4.594) 6.382 2.432 ( 3.182 3.083 4.594) 6.382 2.583 ( -1.544 -4.070 -1.136) 4.499 2.583 ( -1.544 4.070 -1.136) 4.499 2.690 ( -0.651 -3.996 -2.530) 4.774 2.690 ( -0.651 3.996 -2.530) 4.774 2.734 ( 1.089 -3.562 2.371) 4.415 2.734 ( 1.089 3.562 2.371) 4.415 2.836 ( 1.393 -5.718 0.669) 5.923 2.836 ( 1.393 5.718 0.669) 5.923 2.947 ( 3.569 -5.746 0.873) 6.820 2.947 ( 3.569 5.746 0.873) 6.820 3.011 ( -1.065 -5.463 -5.236) 7.642 3.011 ( -1.065 5.463 -5.236) 7.642 3.114 ( -2.388 -2.587 2.317) 4.214 3.114 ( -2.388 2.587 2.317) 4.214 3.165 ( -0.779 -2.693 -0.768) 2.907 3.165 ( -0.779 2.693 -0.768) 2.907 3.209 ( 0.574 -4.330 -0.466) 4.393 3.209 ( 0.574 4.330 -0.466) 4.393 3.307 ( -5.053 -3.840 0.241) 6.351 3.307 ( -5.053 3.840 0.241) 6.351 3.375 ( -2.387 -5.530 -2.116) 6.384 3.375 ( -2.387 5.530 -2.116) 6.384 3.441 ( -3.501 -1.799 -2.696) 4.771 3.441 ( -3.501 1.799 -2.696) 4.771 3.508 ( -0.437 -8.978 -3.131) 9.518 3.508 ( -0.437 8.978 -3.131) 9.518 3.657 ( 2.120 -5.671 3.102) 6.803 3.657 ( 2.120 5.671 3.102) 6.803 3.768 ( -4.519 -3.150 -4.066) 6.847 3.768 ( -4.519 3.150 -4.066) 6.847 3.822 ( 2.218 -5.089 0.978) 5.637 3.822 ( 2.218 5.089 0.978) 5.637 3.937 ( -0.687 -4.354 -0.768) 4.474 3.937 ( -0.687 4.354 -0.768) 4.474 3.997 ( -3.043 -1.590 0.951) 3.563 3.997 ( -3.043 1.590 0.951) 3.563 4.102 ( 0.453 -3.057 -1.192) 3.312 4.102 ( 0.453 3.057 -1.192) 3.312 4.154 ( -2.063 -2.102 0.527) 2.992 4.154 ( -2.063 2.102 0.527) 2.992 4.255 ( -1.106 -2.355 4.275) 5.005 4.255 ( -1.106 2.355 4.275) 5.005 4.343 ( -0.513 -2.038 -0.646) 2.198 4.343 ( -0.513 2.038 -0.646) 2.198 4.369 ( 0.417 -2.699 -2.517) 3.714 4.369 ( 0.417 2.699 -2.517) 3.714 4.481 ( -0.800 -5.208 -0.010) 5.269 4.481 ( -0.800 5.208 -0.010) 5.269 4.564 ( -0.181 -4.710 1.539) 4.958 4.564 ( -0.181 4.710 1.539) 4.958 4.660 ( -2.915 -2.931 0.898) 4.230 4.660 ( -2.915 2.931 0.898) 4.230 4.725 ( -0.072 -2.211 -1.746) 2.818 4.725 ( -0.072 2.211 -1.746) 2.818 4.948 ( 7.775 -0.375 3.283) 8.449 4.948 ( 7.775 0.375 3.283) 8.449 4.959 ( 2.433 -0.253 1.175) 2.713 4.959 ( 2.433 0.253 1.175) 2.713 5.082 ( 0.882 -3.492 -2.253) 4.248 5.082 ( 0.882 3.492 -2.253) 4.248 5.097 ( 4.263 -3.961 -0.241) 5.825 5.097 ( 4.263 3.961 -0.241) 5.825 5.322 ( 5.513 -1.045 -2.821) 6.280 5.322 ( 5.513 1.045 -2.821) 6.280 5.368 ( -0.613 -2.989 -1.351) 3.337 5.368 ( -0.613 2.989 -1.351) 3.337 5.438 ( -1.443 -2.529 0.092) 2.913 5.438 ( -1.443 2.529 0.092) 2.913 5.530 ( 3.105 -0.953 -3.335) 4.655 5.530 ( 3.105 0.953 -3.335) 4.655 5.599 ( 1.494 -2.929 7.045) 7.775 5.599 ( 1.494 2.929 7.045) 7.775 5.697 ( -0.147 -4.261 0.810) 4.339 5.697 ( -0.147 4.261 0.810) 4.339 5.746 ( 3.495 -0.912 -3.052) 4.729 5.746 ( 3.495 0.912 -3.052) 4.729 5.843 ( -1.495 -5.505 -0.533) 5.730 5.843 ( -1.495 5.505 -0.533) 5.730 5.916 ( 1.480 -4.288 3.225) 5.566 5.916 ( 1.480 4.288 3.225) 5.566 5.984 ( -1.553 -1.616 1.329) 2.606 5.984 ( -1.553 1.616 1.329) 2.606 6.182 ( -1.612 -3.643 -1.303) 4.192 6.182 ( -1.612 3.643 -1.303) 4.192 6.302 ( -3.751 -2.544 4.554) 6.425 6.302 ( -3.751 2.544 4.554) 6.425 6.370 ( -2.232 -1.251 -2.643) 3.679 6.370 ( -2.232 1.251 -2.643) 3.679 6.536 ( -6.511 -2.125 -0.192) 6.852 6.536 ( -6.511 2.125 -0.192) 6.852 6.598 ( -4.598 -1.720 -0.501) 4.935 6.598 ( -4.598 1.720 -0.501) 4.935 6.732 ( -2.221 -1.025 2.288) 3.349 6.732 ( -2.221 1.025 2.288) 3.349 6.844 ( -0.180 -3.884 -0.713) 3.953 6.844 ( -0.180 3.884 -0.713) 3.953 6.922 ( -3.938 -2.414 -0.431) 4.639 6.922 ( -3.938 2.414 -0.431) 4.639 7.077 ( -3.970 -1.213 -0.144) 4.154 7.077 ( -3.970 1.213 -0.144) 4.154 7.188 ( -0.149 -1.843 -0.049) 1.849 7.188 ( -0.149 1.843 -0.049) 1.849 7.405 ( 1.439 -4.379 0.759) 4.671 7.405 ( 1.439 4.379 0.759) 4.671 7.529 ( 1.265 -2.797 -1.559) 3.443 7.529 ( 1.265 2.797 -1.559) 3.443 7.666 ( -0.499 -1.502 0.963) 1.852 7.666 ( -0.499 1.502 0.963) 1.852 7.745 ( -1.345 -2.371 -0.765) 2.832 7.745 ( -1.345 2.371 -0.765) 2.832 8.280 ( -0.572 -0.077 -0.213) 0.616 8.280 ( -0.572 0.077 -0.213) 0.616 8.514 ( -1.606 -1.027 -1.873) 2.673 8.514 ( -1.606 1.027 -1.873) 2.673 8.723 ( 1.635 -6.331 1.148) 6.639 8.723 ( 1.635 6.331 1.148) 6.639 8.814 ( 0.631 -5.150 -1.237) 5.334 8.814 ( 0.631 5.150 -1.237) 5.334 9.053 ( 0.271 -3.143 -2.203) 3.848 9.053 ( 0.271 3.143 -2.203) 3.848 9.312 ( 5.721 -2.575 0.429) 6.288 9.312 ( 5.721 2.575 0.429) 6.288 9.661 ( 1.383 -3.414 -0.100) 3.684 9.661 ( 1.383 3.414 -0.100) 3.684 10.176 ( -2.682 -8.400 0.379) 8.826 10.176 ( -2.682 8.400 0.379) 8.826 10.273 ( -0.768 -3.125 1.103) 3.402 10.273 ( -0.768 3.125 1.103) 3.402 10.718 ( -1.894 -0.739 1.731) 2.670 10.718 ( -1.894 0.739 1.731) 2.670 11.110 ( 0.675 -1.622 1.254) 2.159 11.110 ( 0.675 1.622 1.254) 2.159 11.224 ( -1.739 -1.706 -0.094) 2.438 11.224 ( -1.739 1.706 -0.094) 2.438 11.575 ( 3.675 -1.931 -0.720) 4.213 11.575 ( 3.675 1.931 -0.720) 4.213 11.678 ( 2.373 -1.979 -1.740) 3.546 11.678 ( 2.373 1.979 -1.740) 3.546 12.032 ( -0.386 -2.042 -5.102) 5.509 12.032 ( -0.386 2.042 -5.102) 5.509 12.143 ( 3.593 -1.950 -2.752) 4.928 12.143 ( 3.593 1.950 -2.752) 4.928 12.351 ( 6.771 -2.009 6.119) 9.345 12.351 ( 6.771 2.009 6.119) 9.345 12.496 ( 0.580 -1.859 0.240) 1.962 12.496 ( 0.580 1.859 0.240) 1.962 12.754 ( -5.358 -1.618 0.981) 5.682 12.754 ( -5.358 1.618 0.981) 5.682 12.940 ( -1.040 -2.457 1.156) 2.907 12.940 ( -1.040 2.457 1.156) 2.907 14.366 ( -1.912 -3.597 0.522) 4.106 14.366 ( -1.912 3.597 0.522) 4.106 14.608 ( -1.326 -2.098 0.456) 2.523 14.608 ( -1.326 2.098 0.456) 2.523 17.068 ( -0.224 -0.544 -1.268) 1.397 17.068 ( -0.224 0.544 -1.268) 1.397 17.387 ( 3.930 -3.911 1.157) 5.664 17.387 ( 3.930 3.911 1.157) 5.664 18.178 ( -1.477 -0.301 -0.735) 1.677 18.178 ( -1.477 0.301 -0.735) 1.677 18.400 ( 1.432 -0.709 1.086) 1.932 18.400 ( 1.432 0.709 1.086) 1.932 18.860 ( 0.779 -2.531 0.746) 2.752 18.860 ( 0.779 2.531 0.746) 2.752 18.988 ( 0.045 -1.350 0.417) 1.414 18.988 ( 0.045 1.350 0.417) 1.414 19.041 ( -0.431 -2.481 0.450) 2.558 19.041 ( -0.431 2.481 0.450) 2.558 19.195 ( 2.742 -2.148 0.029) 3.483 19.195 ( 2.742 2.148 0.029) 3.483 19.248 ( 1.252 -2.140 1.627) 2.966 19.248 ( 1.252 2.140 1.627) 2.966 19.453 ( 0.268 -5.758 -2.410) 6.248 19.453 ( 0.268 5.758 -2.410) 6.248 19.579 ( 9.321 -3.219 -2.873) 10.271 19.579 ( 9.321 3.219 -2.873) 10.271 19.893 ( -2.774 -6.314 0.117) 6.898 19.893 ( -2.774 6.314 0.117) 6.898 20.253 ( -8.056 -2.048 0.709) 8.342 20.253 ( -8.056 2.048 0.709) 8.342 20.653 ( -6.810 -9.495 0.607) 11.700 20.653 ( -6.810 9.495 0.607) 11.700 ======================= Grid point 20 (12/48) ======================= q-point: (-0.50 -0.50 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.000 -3.245 0.000) 3.245 1.129 ( 0.000 3.245 0.000) 3.245 1.258 ( 0.000 -2.426 -0.000) 2.426 1.258 ( 0.000 2.426 0.000) 2.426 1.419 ( 0.000 -7.413 0.000) 7.413 1.419 ( 0.000 7.413 -0.000) 7.413 1.710 ( 0.000 -7.900 0.000) 7.900 1.710 ( 0.000 7.900 -0.000) 7.900 1.806 ( 0.000 -6.167 -0.000) 6.167 1.806 ( 0.000 6.167 -0.000) 6.167 1.984 ( 0.000 -12.451 0.000) 12.451 1.984 ( -0.000 12.451 -0.000) 12.451 2.002 ( 0.000 -2.426 0.000) 2.426 2.002 ( 0.000 2.426 -0.000) 2.426 2.137 ( 0.000 -0.469 -0.000) 0.469 2.137 ( 0.000 0.469 0.000) 0.469 2.261 ( 0.000 -2.482 0.000) 2.482 2.261 ( 0.000 2.482 -0.000) 2.482 2.405 ( 0.000 -0.714 -0.000) 0.714 2.405 ( 0.000 0.714 0.000) 0.714 2.455 ( -0.000 -0.792 0.000) 0.792 2.455 ( 0.000 0.792 -0.000) 0.792 2.505 ( 0.000 -3.045 0.000) 3.045 2.505 ( 0.000 3.045 0.000) 3.045 2.692 ( 0.000 -1.026 -0.000) 1.026 2.692 ( -0.000 1.026 -0.000) 1.026 2.774 ( 0.000 -4.667 0.000) 4.667 2.774 ( 0.000 4.667 0.000) 4.667 2.859 ( 0.000 -5.169 -0.000) 5.169 2.859 ( -0.000 5.169 -0.000) 5.169 2.986 ( -0.000 -1.535 0.000) 1.535 2.986 ( 0.000 1.535 -0.000) 1.535 3.021 ( 0.000 -3.490 0.000) 3.490 3.021 ( 0.000 3.490 0.000) 3.490 3.082 ( 0.000 -1.419 0.000) 1.419 3.082 ( 0.000 1.419 -0.000) 1.419 3.121 ( -0.000 -0.606 -0.000) 0.606 3.121 ( 0.000 0.606 0.000) 0.606 3.218 ( 0.000 -2.047 -0.000) 2.047 3.218 ( 0.000 2.047 -0.000) 2.047 3.239 ( 0.000 -8.260 -0.000) 8.260 3.239 ( 0.000 8.260 0.000) 8.260 3.360 ( 0.000 -0.521 -0.000) 0.521 3.360 ( 0.000 0.521 0.000) 0.521 3.449 ( 0.000 -3.274 0.000) 3.274 3.449 ( 0.000 3.274 -0.000) 3.274 3.517 ( 0.000 -3.774 0.000) 3.774 3.517 ( 0.000 3.774 0.000) 3.774 3.654 ( 0.000 -4.950 -0.000) 4.950 3.654 ( 0.000 4.950 -0.000) 4.950 3.732 ( 0.000 -5.021 0.000) 5.021 3.732 ( 0.000 5.021 0.000) 5.021 3.836 ( 0.000 -10.632 -0.000) 10.632 3.836 ( 0.000 10.632 0.000) 10.632 3.938 ( 0.000 -8.342 0.000) 8.342 3.938 ( 0.000 8.342 0.000) 8.342 3.980 ( 0.000 -2.043 0.000) 2.043 3.980 ( 0.000 2.043 0.000) 2.043 4.084 ( 0.000 -6.313 0.000) 6.313 4.084 ( 0.000 6.313 -0.000) 6.313 4.136 ( 0.000 -1.438 0.000) 1.438 4.136 ( 0.000 1.438 -0.000) 1.438 4.245 ( 0.000 -4.580 0.000) 4.580 4.245 ( 0.000 4.580 0.000) 4.580 4.289 ( 0.000 -5.613 -0.000) 5.613 4.289 ( 0.000 5.613 -0.000) 5.613 4.389 ( -0.000 -2.755 -0.000) 2.755 4.389 ( -0.000 2.755 -0.000) 2.755 4.484 ( 0.000 -7.444 -0.000) 7.444 4.484 ( 0.000 7.444 -0.000) 7.444 4.553 ( -0.000 -1.694 0.000) 1.694 4.553 ( 0.000 1.694 0.000) 1.694 4.646 ( 0.000 -0.077 0.000) 0.077 4.646 ( 0.000 0.077 0.000) 0.077 4.726 ( 0.000 -3.800 -0.000) 3.800 4.726 ( 0.000 3.800 0.000) 3.800 4.985 ( 0.000 -0.082 0.000) 0.082 4.985 ( 0.000 0.082 -0.000) 0.082 5.019 ( 0.000 -6.327 -0.000) 6.327 5.019 ( 0.000 6.327 0.000) 6.327 5.079 ( 0.000 -1.699 0.000) 1.699 5.079 ( 0.000 1.699 -0.000) 1.699 5.189 ( 0.000 -1.033 0.000) 1.033 5.189 ( 0.000 1.033 0.000) 1.033 5.308 ( 0.000 -0.616 0.000) 0.616 5.308 ( 0.000 0.616 -0.000) 0.616 5.371 ( 0.000 -1.331 -0.000) 1.331 5.371 ( 0.000 1.331 0.000) 1.331 5.420 ( -0.000 -0.261 0.000) 0.261 5.420 ( 0.000 0.261 0.000) 0.261 5.565 ( 0.000 -2.021 -0.000) 2.021 5.565 ( 0.000 2.021 0.000) 2.021 5.623 ( 0.000 -5.530 -0.000) 5.530 5.623 ( 0.000 5.530 -0.000) 5.530 5.704 ( -0.000 -0.341 0.000) 0.341 5.704 ( 0.000 0.341 0.000) 0.341 5.763 ( 0.000 -3.845 0.000) 3.845 5.763 ( 0.000 3.845 -0.000) 3.845 5.854 ( 0.000 -2.154 0.000) 2.154 5.854 ( 0.000 2.154 -0.000) 2.154 5.911 ( -0.000 -2.367 0.000) 2.367 5.911 ( 0.000 2.367 0.000) 2.367 6.004 ( 0.000 -1.470 -0.000) 1.470 6.004 ( 0.000 1.470 0.000) 1.470 6.162 ( 0.000 -1.904 0.000) 1.904 6.162 ( 0.000 1.904 0.000) 1.904 6.270 ( 0.000 -5.088 0.000) 5.088 6.270 ( 0.000 5.088 -0.000) 5.088 6.345 ( 0.000 -4.945 0.000) 4.945 6.345 ( 0.000 4.945 -0.000) 4.945 6.447 ( 0.000 -6.848 -0.000) 6.848 6.447 ( 0.000 6.848 0.000) 6.848 6.563 ( 0.000 -1.099 -0.000) 1.099 6.563 ( 0.000 1.099 0.000) 1.099 6.716 ( 0.000 -0.445 0.000) 0.445 6.716 ( 0.000 0.445 0.000) 0.445 6.825 ( 0.000 -1.715 -0.000) 1.715 6.825 ( 0.000 1.715 -0.000) 1.715 6.893 ( 0.000 -1.647 0.000) 1.647 6.893 ( 0.000 1.647 -0.000) 1.647 7.036 ( 0.000 -0.874 0.000) 0.874 7.036 ( 0.000 0.874 0.000) 0.874 7.190 ( 0.000 -1.552 -0.000) 1.552 7.190 ( 0.000 1.552 0.000) 1.552 7.417 ( 0.000 -2.396 -0.000) 2.396 7.417 ( -0.000 2.396 0.000) 2.396 7.544 ( 0.000 -4.387 0.000) 4.387 7.544 ( 0.000 4.387 0.000) 4.387 7.666 ( 0.000 -0.927 -0.000) 0.927 7.666 ( 0.000 0.927 0.000) 0.927 7.728 ( 0.000 -1.384 -0.000) 1.384 7.728 ( 0.000 1.384 0.000) 1.384 8.274 ( 0.000 -0.181 -0.000) 0.181 8.274 ( 0.000 0.181 0.000) 0.181 8.491 ( 0.000 -0.480 0.000) 0.480 8.491 ( 0.000 0.480 0.000) 0.480 8.749 ( 0.000 -10.749 -0.000) 10.749 8.749 ( 0.000 10.749 0.000) 10.749 8.815 ( 0.000 -3.697 -0.000) 3.697 8.815 ( 0.000 3.697 0.000) 3.697 9.062 ( 0.000 -2.940 0.000) 2.940 9.062 ( 0.000 2.940 -0.000) 2.940 9.363 ( 0.000 -3.159 -0.000) 3.159 9.363 ( 0.000 3.159 0.000) 3.159 9.675 ( 0.000 -3.459 0.000) 3.459 9.675 ( 0.000 3.459 0.000) 3.459 10.148 ( 0.000 -9.240 0.000) 9.240 10.148 ( 0.000 9.240 0.000) 9.240 10.262 ( 0.000 -1.502 0.000) 1.502 10.262 ( 0.000 1.502 0.000) 1.502 10.705 ( 0.000 -0.896 0.000) 0.896 10.705 ( 0.000 0.896 0.000) 0.896 11.127 ( 0.000 -1.612 0.000) 1.612 11.127 ( 0.000 1.612 -0.000) 1.612 11.204 ( 0.000 -1.720 0.000) 1.720 11.204 ( 0.000 1.720 -0.000) 1.720 11.615 ( 0.000 -0.562 0.000) 0.562 11.615 ( 0.000 0.562 0.000) 0.562 11.712 ( 0.000 -0.707 -0.000) 0.707 11.712 ( 0.000 0.707 -0.000) 0.707 11.983 ( 0.000 -1.949 0.000) 1.949 11.983 ( 0.000 1.949 0.000) 1.949 12.161 ( 0.000 -0.844 0.000) 0.844 12.161 ( 0.000 0.844 0.000) 0.844 12.441 ( 0.000 -2.821 0.000) 2.821 12.441 ( 0.000 2.821 0.000) 2.821 12.525 ( 0.000 -1.334 0.000) 1.334 12.525 ( 0.000 1.334 -0.000) 1.334 12.680 ( 0.000 -3.456 0.000) 3.456 12.680 ( 0.000 3.456 -0.000) 3.456 12.937 ( 0.000 -2.607 0.000) 2.607 12.937 ( 0.000 2.607 -0.000) 2.607 14.352 ( 0.000 -3.694 0.000) 3.694 14.352 ( 0.000 3.694 -0.000) 3.694 14.597 ( 0.000 -1.609 0.000) 1.609 14.597 ( 0.000 1.609 -0.000) 1.609 17.061 ( 0.000 -0.316 0.000) 0.316 17.061 ( 0.000 0.316 0.000) 0.316 17.426 ( 0.000 -3.761 -0.000) 3.761 17.426 ( 0.000 3.761 -0.000) 3.761 18.163 ( 0.000 -0.002 0.000) 0.002 18.163 ( 0.000 0.002 -0.000) 0.002 18.416 ( 0.000 -0.759 -0.000) 0.759 18.416 ( 0.000 0.759 -0.000) 0.759 18.870 ( 0.000 -2.512 0.000) 2.512 18.870 ( 0.000 2.512 0.000) 2.512 18.990 ( 0.000 -1.271 -0.000) 1.271 18.990 ( 0.000 1.271 0.000) 1.271 19.040 ( 0.000 -3.347 -0.000) 3.347 19.040 ( 0.000 3.347 -0.000) 3.347 19.218 ( 0.000 -0.190 0.000) 0.190 19.218 ( 0.000 0.190 0.000) 0.190 19.270 ( 0.000 -1.844 0.000) 1.844 19.270 ( 0.000 1.844 0.000) 1.844 19.444 ( 0.000 -6.548 0.000) 6.548 19.444 ( 0.000 6.548 0.000) 6.548 19.675 ( 0.000 -5.875 -0.000) 5.875 19.675 ( -0.000 5.875 0.000) 5.875 19.858 ( 0.000 -6.981 -0.000) 6.981 19.858 ( 0.000 6.981 0.000) 6.981 20.169 ( 0.000 -1.240 -0.000) 1.240 20.169 ( 0.000 1.240 0.000) 1.240 20.598 ( 0.000 -9.254 -0.000) 9.254 20.598 ( 0.000 9.254 0.000) 9.254 ======================= Grid point 35 (13/48) ======================= q-point: ( 0.00 0.00 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( -1.350 0.000 19.915) 19.961 0.529 ( 1.907 0.000 25.917) 25.987 0.977 ( 2.037 0.000 16.949) 17.071 0.982 ( -0.142 0.000 -1.091) 1.100 1.073 ( -3.918 0.000 40.616) 40.804 1.317 ( 2.123 0.000 10.122) 10.342 1.389 ( 4.939 0.000 7.608) 9.071 1.434 ( -3.723 0.000 9.579) 10.277 1.647 ( 7.620 0.000 -5.477) 9.384 1.688 ( -3.492 0.000 -0.115) 3.494 1.722 ( -1.627 0.000 -2.459) 2.948 1.845 ( 0.423 0.000 3.530) 3.555 1.918 ( 0.181 0.000 6.217) 6.220 2.068 ( 1.190 0.000 5.581) 5.707 2.129 ( 0.925 0.000 -0.293) 0.970 2.153 ( -0.778 0.000 -2.658) 2.770 2.160 ( 1.408 0.000 -1.799) 2.285 2.223 ( -7.449 0.000 -6.030) 9.584 2.305 ( -3.746 0.000 1.003) 3.878 2.421 ( -4.700 0.000 -2.448) 5.299 2.465 ( 2.063 0.000 -2.014) 2.883 2.498 ( 0.571 0.000 -2.336) 2.404 2.538 ( -1.916 0.000 -0.832) 2.088 2.588 ( -3.215 0.000 6.106) 6.900 2.658 ( 4.677 0.000 2.114) 5.132 2.703 ( -4.558 0.000 -0.870) 4.641 2.732 ( 1.452 0.000 5.202) 5.400 2.811 ( 1.423 0.000 1.673) 2.196 2.857 ( -2.527 0.000 4.435) 5.104 2.867 ( -0.447 0.000 3.281) 3.311 2.903 ( -2.767 0.000 -2.324) 3.614 2.935 ( -2.014 0.000 0.974) 2.237 3.008 ( -2.307 0.000 2.540) 3.431 3.047 ( -0.586 0.000 -0.316) 0.666 3.123 ( -1.235 0.000 -4.647) 4.809 3.172 ( 6.288 0.000 -6.394) 8.968 3.192 ( -2.160 0.000 -2.887) 3.605 3.192 ( -1.119 0.000 -3.140) 3.333 3.229 ( 0.917 0.000 -5.386) 5.463 3.282 ( -1.335 0.000 2.264) 2.628 3.378 ( -3.771 0.000 -3.369) 5.057 3.396 ( -2.693 0.000 -4.079) 4.888 3.449 ( -0.565 0.000 3.105) 3.157 3.516 ( -2.900 0.000 -2.627) 3.913 3.548 ( 1.639 0.000 2.983) 3.404 3.570 ( 0.496 0.000 -3.704) 3.737 3.643 ( -4.649 0.000 -6.389) 7.902 3.677 ( -3.915 0.000 -3.465) 5.228 3.706 ( 0.101 0.000 -1.318) 1.322 3.712 ( 3.079 0.000 0.485) 3.117 3.727 ( 2.820 0.000 4.073) 4.954 3.842 ( 4.235 0.000 1.520) 4.500 3.847 ( -3.784 0.000 -6.449) 7.477 3.872 ( -1.009 0.000 2.415) 2.618 3.946 ( 6.723 0.000 -1.115) 6.815 3.947 ( -3.470 0.000 -4.360) 5.572 3.997 ( 0.979 0.000 4.653) 4.755 4.017 ( -2.858 0.000 1.061) 3.049 4.030 ( -1.568 0.000 0.396) 1.617 4.120 ( 7.590 0.000 0.065) 7.590 4.156 ( 1.684 0.000 -17.972) 18.051 4.169 ( -1.355 0.000 -3.391) 3.652 4.186 ( -4.702 0.000 1.111) 4.831 4.234 ( 0.898 0.000 4.069) 4.167 4.255 ( -2.723 0.000 -0.685) 2.807 4.268 ( -1.295 0.000 1.547) 2.017 4.334 ( 1.942 0.000 -1.556) 2.488 4.350 ( 3.206 0.000 -1.226) 3.433 4.453 ( 0.227 0.000 -0.778) 0.810 4.471 ( 5.144 0.000 3.503) 6.224 4.530 ( -0.757 0.000 5.886) 5.935 4.560 ( 4.248 0.000 -3.005) 5.203 4.599 ( -0.913 0.000 4.674) 4.762 4.614 ( 7.183 0.000 5.544) 9.074 4.709 ( 1.643 0.000 0.957) 1.902 4.739 ( -2.624 0.000 -7.430) 7.880 4.766 ( 3.968 0.000 -0.597) 4.013 4.801 ( -5.633 0.000 0.831) 5.694 4.906 ( 0.685 0.000 -3.993) 4.052 4.938 ( 5.175 0.000 1.848) 5.495 4.991 ( -0.143 0.000 -1.476) 1.483 5.062 ( 2.097 0.000 3.591) 4.158 5.128 ( 2.120 0.000 -8.060) 8.334 5.145 ( -3.182 0.000 -4.123) 5.208 5.165 ( 2.737 0.000 -1.299) 3.030 5.179 ( 0.009 0.000 -3.006) 3.006 5.243 ( -2.018 0.000 2.324) 3.078 5.293 ( 3.193 0.000 -6.471) 7.216 5.301 ( -2.713 0.000 -0.517) 2.762 5.416 ( -0.460 0.000 2.215) 2.262 5.431 ( -0.389 0.000 0.141) 0.414 5.513 ( -1.158 0.000 -2.617) 2.862 5.527 ( 0.932 0.000 -4.435) 4.531 5.610 ( -2.997 0.000 -0.198) 3.003 5.637 ( -2.200 0.000 1.695) 2.778 5.714 ( -2.077 0.000 -3.806) 4.336 5.792 ( -8.503 0.000 5.079) 9.904 5.796 ( -6.190 0.000 2.498) 6.675 5.820 ( -4.765 0.000 -2.130) 5.219 5.919 ( -9.717 0.000 6.289) 11.574 5.990 ( 1.809 0.000 -6.098) 6.361 6.053 ( 0.025 0.000 3.532) 3.532 6.106 ( 10.860 0.000 4.628) 11.805 6.155 ( 0.601 0.000 5.099) 5.134 6.238 ( 5.719 0.000 0.352) 5.729 6.326 ( 0.392 0.000 -4.784) 4.800 6.391 ( -2.618 0.000 0.331) 2.639 6.438 ( 0.756 0.000 1.175) 1.397 6.469 ( -2.379 0.000 -2.005) 3.111 6.553 ( 0.264 0.000 0.039) 0.267 6.579 ( 0.156 0.000 1.753) 1.760 6.590 ( 7.657 0.000 1.602) 7.823 6.657 ( -6.280 0.000 3.064) 6.988 6.710 ( -2.594 0.000 0.646) 2.673 6.794 ( 4.560 0.000 4.293) 6.263 6.800 ( -1.286 0.000 -1.452) 1.940 6.855 ( 0.442 0.000 6.382) 6.397 6.972 ( -1.126 0.000 3.507) 3.683 6.981 ( 2.132 0.000 1.611) 2.672 7.023 ( 1.923 0.000 1.339) 2.343 7.098 ( 0.305 0.000 3.475) 3.488 7.130 ( 0.060 0.000 -0.663) 0.666 7.136 ( -1.922 0.000 -0.884) 2.116 7.323 ( -0.523 0.000 0.848) 0.996 7.342 ( -1.784 0.000 -0.927) 2.010 7.412 ( -0.299 0.000 0.621) 0.689 7.428 ( -0.179 0.000 0.746) 0.768 7.489 ( -7.837 0.000 -3.566) 8.610 7.587 ( -2.306 0.000 0.451) 2.349 7.590 ( -1.849 0.000 -1.429) 2.337 7.751 ( 2.314 0.000 0.865) 2.471 8.020 ( -11.540 0.000 -6.100) 13.053 8.328 ( -0.692 0.000 1.414) 1.574 8.351 ( 2.464 0.000 2.364) 3.415 8.534 ( -3.473 0.000 -3.285) 4.781 8.581 ( -0.548 0.000 -1.706) 1.792 8.700 ( 0.316 0.000 -0.630) 0.705 8.752 ( -4.357 0.000 1.300) 4.547 8.781 ( -0.193 0.000 -3.992) 3.997 8.883 ( -0.722 0.000 0.839) 1.107 8.958 ( 1.430 0.000 -0.781) 1.629 9.046 ( 6.951 0.000 -3.680) 7.865 9.153 ( -1.389 0.000 -0.824) 1.615 9.214 ( 0.369 0.000 -2.385) 2.413 9.695 ( -12.957 0.000 5.105) 13.926 9.776 ( -2.550 0.000 6.382) 6.873 10.046 ( 4.522 0.000 -3.477) 5.704 10.071 ( 0.952 0.000 -2.640) 2.806 10.187 ( 2.932 0.000 3.758) 4.766 10.517 ( 3.606 0.000 1.675) 3.976 10.633 ( -3.031 0.000 -8.024) 8.578 10.716 ( 1.895 0.000 -5.163) 5.500 11.098 ( 2.909 0.000 -2.637) 3.926 11.100 ( -0.562 0.000 -1.966) 2.044 11.162 ( 2.437 0.000 -1.964) 3.130 11.207 ( -0.672 0.000 -3.719) 3.779 11.416 ( 6.112 0.000 6.182) 8.694 11.541 ( -3.198 0.000 0.636) 3.261 11.562 ( 14.674 0.000 -0.843) 14.698 11.650 ( -7.718 0.000 -0.726) 7.752 11.869 ( 2.395 0.000 0.390) 2.427 11.914 ( -0.126 0.000 -0.519) 0.535 11.924 ( 3.070 0.000 2.908) 4.229 12.118 ( -2.041 0.000 -1.833) 2.744 12.408 ( -0.220 0.000 9.643) 9.645 12.497 ( -1.240 0.000 1.968) 2.326 12.523 ( -0.412 0.000 2.070) 2.110 12.549 ( 8.847 0.000 2.639) 9.232 12.652 ( 5.266 0.000 2.040) 5.648 12.897 ( 0.228 0.000 -3.291) 3.299 12.920 ( 0.772 0.000 -0.248) 0.811 13.043 ( 0.999 0.000 -0.383) 1.070 14.300 ( 1.828 0.000 1.977) 2.693 14.464 ( -1.588 0.000 -1.995) 2.550 14.474 ( 0.763 0.000 3.038) 3.132 14.714 ( -1.042 0.000 -2.746) 2.937 17.050 ( -0.886 0.000 -0.534) 1.035 17.113 ( 11.806 0.000 -1.585) 11.912 17.139 ( -3.384 0.000 3.145) 4.620 17.265 ( 5.191 0.000 -0.288) 5.199 18.167 ( -2.541 0.000 -0.490) 2.588 18.185 ( -0.037 0.000 -0.659) 0.660 18.348 ( 0.384 0.000 1.427) 1.478 18.413 ( 3.426 0.000 0.293) 3.438 18.803 ( 1.178 0.000 2.837) 3.072 18.876 ( -1.452 0.000 -1.066) 1.801 18.966 ( -0.270 0.000 -2.682) 2.695 19.011 ( 1.998 0.000 -3.495) 4.026 19.027 ( -0.031 0.000 4.044) 4.045 19.059 ( 1.846 0.000 1.296) 2.256 19.116 ( -3.635 0.000 -1.515) 3.938 19.125 ( -2.021 0.000 0.285) 2.041 19.167 ( 3.383 0.000 0.900) 3.501 19.230 ( 3.329 0.000 1.335) 3.587 19.288 ( -2.707 0.000 1.579) 3.134 19.355 ( -0.896 0.000 1.413) 1.673 19.392 ( 0.399 0.000 -0.765) 0.863 19.537 ( -2.581 0.000 -6.358) 6.862 19.702 ( -5.685 0.000 2.811) 6.342 20.095 ( 1.809 0.000 -6.603) 6.846 20.323 ( -0.613 0.000 6.552) 6.580 20.569 ( 1.240 0.000 1.370) 1.848 21.010 ( 0.661 0.000 -2.292) 2.385 21.109 ( -9.060 0.000 -3.236) 9.621 ======================= Grid point 36 (14/48) ======================= q-point: ( 0.17 0.00 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 9.567 0.000 13.803) 16.794 0.854 ( 16.439 0.000 16.046) 22.972 1.036 ( 5.685 0.000 0.385) 5.698 1.061 ( 2.240 0.000 1.094) 2.493 1.264 ( -2.234 0.000 11.469) 11.684 1.373 ( 2.090 0.000 21.969) 22.068 1.525 ( 4.669 0.000 7.990) 9.254 1.624 ( 0.912 0.000 3.756) 3.865 1.685 ( 4.456 0.000 -2.429) 5.075 1.761 ( 17.788 0.000 22.530) 28.706 1.823 ( 14.257 0.000 -3.963) 14.798 1.930 ( 3.411 0.000 6.333) 7.193 1.995 ( 2.297 0.000 9.269) 9.549 2.006 ( -3.541 0.000 -5.261) 6.342 2.071 ( -2.380 0.000 -4.705) 5.273 2.102 ( -2.011 0.000 -1.647) 2.599 2.199 ( 1.845 0.000 1.912) 2.657 2.226 ( 3.667 0.000 2.266) 4.311 2.276 ( -0.385 0.000 -2.945) 2.970 2.393 ( -1.783 0.000 6.806) 7.036 2.433 ( -0.419 0.000 -1.753) 1.802 2.498 ( -4.088 0.000 -0.476) 4.115 2.521 ( -0.862 0.000 3.315) 3.425 2.570 ( -7.756 0.000 -2.986) 8.311 2.621 ( 8.562 0.000 0.252) 8.565 2.738 ( 3.056 0.000 2.215) 3.775 2.769 ( -7.840 0.000 -7.124) 10.593 2.813 ( -2.410 0.000 -0.485) 2.459 2.839 ( -1.005 0.000 7.253) 7.322 2.875 ( 6.279 0.000 3.494) 7.185 2.904 ( -0.966 0.000 0.629) 1.153 2.922 ( 2.451 0.000 4.250) 4.906 2.965 ( -2.440 0.000 -1.639) 2.940 2.995 ( -0.837 0.000 -0.819) 1.171 3.099 ( -1.640 0.000 -4.860) 5.129 3.113 ( -3.189 0.000 -5.493) 6.352 3.169 ( -1.374 0.000 -4.483) 4.689 3.215 ( 2.717 0.000 -0.154) 2.721 3.240 ( -0.177 0.000 -4.154) 4.158 3.257 ( -2.934 0.000 -1.158) 3.155 3.310 ( -2.164 0.000 3.783) 4.358 3.310 ( -0.064 0.000 -4.895) 4.895 3.442 ( -4.877 0.000 -3.081) 5.768 3.483 ( -0.064 0.000 5.298) 5.298 3.487 ( -5.555 0.000 -3.411) 6.519 3.514 ( -7.198 0.000 -1.554) 7.364 3.515 ( -2.304 0.000 -0.796) 2.438 3.582 ( 0.914 0.000 -3.893) 3.998 3.692 ( -1.854 0.000 -0.547) 1.933 3.704 ( -2.150 0.000 -0.951) 2.351 3.766 ( -1.865 0.000 4.443) 4.819 3.828 ( -1.348 0.000 -1.423) 1.960 3.853 ( -5.178 0.000 -0.955) 5.265 3.884 ( 0.864 0.000 3.847) 3.943 3.914 ( -1.712 0.000 -1.840) 2.514 3.962 ( -5.448 0.000 4.121) 6.831 3.981 ( -2.622 0.000 -4.929) 5.583 3.993 ( -0.746 0.000 0.166) 0.765 4.012 ( 1.659 0.000 -10.987) 11.112 4.021 ( 0.204 0.000 1.828) 1.839 4.073 ( -2.914 0.000 -7.028) 7.608 4.183 ( 0.222 0.000 -3.671) 3.678 4.249 ( 9.735 0.000 2.692) 10.101 4.277 ( 6.499 0.000 -2.289) 6.890 4.313 ( 6.809 0.000 1.277) 6.927 4.368 ( 2.198 0.000 1.634) 2.739 4.408 ( 2.273 0.000 4.181) 4.759 4.425 ( 5.797 0.000 1.128) 5.906 4.477 ( -2.869 0.000 2.966) 4.127 4.510 ( 5.850 0.000 2.056) 6.201 4.581 ( -1.482 0.000 -0.707) 1.642 4.598 ( 4.610 0.000 -3.922) 6.053 4.643 ( -2.267 0.000 -2.733) 3.551 4.658 ( 1.231 0.000 5.487) 5.624 4.737 ( 3.761 0.000 0.604) 3.809 4.738 ( -0.309 0.000 4.074) 4.085 4.763 ( 4.416 0.000 -2.899) 5.283 4.869 ( 8.609 0.000 -9.418) 12.759 4.900 ( 0.818 0.000 -4.580) 4.652 5.002 ( 2.562 0.000 -2.442) 3.540 5.029 ( 1.761 0.000 -0.376) 1.801 5.076 ( -1.938 0.000 0.622) 2.036 5.095 ( 2.788 0.000 -3.068) 4.146 5.126 ( -5.197 0.000 2.394) 5.722 5.162 ( -4.662 0.000 4.617) 6.561 5.183 ( 7.767 0.000 -5.734) 9.654 5.245 ( 3.170 0.000 -2.659) 4.138 5.282 ( 1.592 0.000 -0.383) 1.637 5.353 ( 4.367 0.000 -0.686) 4.420 5.417 ( 1.543 0.000 -5.002) 5.235 5.438 ( 0.947 0.000 -0.043) 0.948 5.505 ( -3.034 0.000 -1.655) 3.456 5.506 ( 0.744 0.000 -0.903) 1.170 5.532 ( 1.715 0.000 -6.423) 6.648 5.648 ( -0.366 0.000 1.524) 1.567 5.651 ( 1.940 0.000 3.302) 3.830 5.700 ( -3.154 0.000 1.557) 3.518 5.721 ( -4.239 0.000 3.119) 5.263 5.786 ( -1.418 0.000 1.199) 1.857 5.867 ( -4.489 0.000 10.856) 11.747 5.904 ( -4.920 0.000 -6.881) 8.459 6.078 ( 1.528 0.000 1.133) 1.902 6.167 ( -1.294 0.000 0.500) 1.387 6.175 ( -8.847 0.000 -2.098) 9.092 6.209 ( -7.691 0.000 1.640) 7.863 6.303 ( 0.167 0.000 -0.107) 0.198 6.342 ( -1.128 0.000 2.324) 2.583 6.421 ( -4.795 0.000 0.740) 4.852 6.518 ( -7.847 0.000 2.969) 8.390 6.531 ( 7.922 0.000 6.709) 10.381 6.572 ( -2.286 0.000 -2.681) 3.523 6.604 ( 1.369 0.000 2.356) 2.725 6.650 ( -4.123 0.000 -4.604) 6.180 6.703 ( 1.337 0.000 -3.544) 3.788 6.764 ( 2.355 0.000 -1.364) 2.722 6.826 ( -2.952 0.000 1.731) 3.422 6.887 ( -2.304 0.000 9.255) 9.538 6.935 ( -5.801 0.000 3.490) 6.770 7.034 ( -1.155 0.000 -1.310) 1.747 7.038 ( -2.118 0.000 2.975) 3.652 7.073 ( -3.348 0.000 6.188) 7.035 7.102 ( -2.732 0.000 1.035) 2.921 7.133 ( 1.812 0.000 -1.541) 2.378 7.227 ( -10.040 0.000 0.617) 10.059 7.339 ( 0.689 0.000 0.333) 0.765 7.351 ( -0.928 0.000 0.161) 0.942 7.444 ( 3.238 0.000 0.894) 3.359 7.487 ( 5.052 0.000 1.611) 5.303 7.576 ( -0.819 0.000 0.377) 0.902 7.586 ( 2.444 0.000 -2.698) 3.640 7.764 ( -9.641 0.000 -1.999) 9.846 7.774 ( -0.573 0.000 2.455) 2.521 8.333 ( -0.987 0.000 3.059) 3.215 8.351 ( -3.054 0.000 5.310) 6.126 8.457 ( -2.397 0.000 -3.464) 4.212 8.531 ( -4.054 0.000 -5.555) 6.877 8.676 ( -5.111 0.000 -1.457) 5.314 8.692 ( -0.147 0.000 1.818) 1.824 8.721 ( 2.522 0.000 -0.397) 2.553 8.940 ( 3.478 0.000 -0.689) 3.545 9.023 ( 4.859 0.000 -0.762) 4.919 9.143 ( 1.935 0.000 -0.024) 1.935 9.190 ( 5.281 0.000 -0.689) 5.326 9.251 ( 7.831 0.000 -2.447) 8.205 9.594 ( -2.457 0.000 5.892) 6.384 9.768 ( -1.227 0.000 4.371) 4.540 10.007 ( -3.842 0.000 -1.306) 4.058 10.156 ( 5.737 0.000 -1.755) 6.000 10.320 ( 6.728 0.000 3.339) 7.511 10.557 ( -1.165 0.000 -8.034) 8.118 10.599 ( 2.610 0.000 2.408) 3.551 10.665 ( -1.003 0.000 -8.012) 8.074 11.068 ( -0.989 0.000 -1.714) 1.979 11.158 ( 3.790 0.000 -3.765) 5.342 11.173 ( -0.726 0.000 -2.447) 2.552 11.175 ( -1.125 0.000 -1.813) 2.134 11.455 ( -3.318 0.000 -2.378) 4.082 11.544 ( 4.077 0.000 5.455) 6.810 11.550 ( 0.905 0.000 -0.292) 0.951 11.679 ( 1.500 0.000 -1.540) 2.150 11.933 ( 0.765 0.000 -2.367) 2.488 11.943 ( 6.631 0.000 0.333) 6.639 12.059 ( 5.812 0.000 2.985) 6.534 12.100 ( 0.263 0.000 -2.978) 2.990 12.447 ( -0.680 0.000 9.640) 9.664 12.477 ( -1.872 0.000 1.521) 2.413 12.517 ( -1.596 0.000 2.205) 2.722 12.598 ( 0.704 0.000 -2.065) 2.181 12.783 ( 2.864 0.000 -1.372) 3.175 12.863 ( -1.229 0.000 -3.804) 3.998 12.893 ( -3.762 0.000 -0.353) 3.779 13.033 ( -1.400 0.000 -0.388) 1.453 14.334 ( 0.033 0.000 2.957) 2.957 14.425 ( -0.002 0.000 -4.272) 4.272 14.495 ( -0.704 0.000 3.678) 3.745 14.659 ( -2.670 0.000 -3.475) 4.382 17.043 ( 0.631 0.000 -0.766) 0.993 17.099 ( -2.360 0.000 1.573) 2.836 17.277 ( 7.348 0.000 -5.542) 9.204 17.480 ( 14.550 0.000 -8.159) 16.682 18.124 ( -1.288 0.000 -0.975) 1.616 18.169 ( -1.603 0.000 0.619) 1.718 18.361 ( 0.321 0.000 0.692) 0.763 18.435 ( -0.604 0.000 -0.860) 1.051 18.831 ( -0.211 0.000 2.650) 2.659 18.894 ( 3.774 0.000 -1.236) 3.971 18.928 ( -1.861 0.000 -2.417) 3.050 18.991 ( -3.479 0.000 0.694) 3.547 19.042 ( 2.905 0.000 -2.794) 4.030 19.066 ( -1.531 0.000 0.606) 1.647 19.116 ( 1.572 0.000 0.538) 1.662 19.132 ( 3.255 0.000 3.490) 4.772 19.224 ( 1.958 0.000 -0.930) 2.167 19.272 ( -0.034 0.000 2.634) 2.634 19.313 ( -1.786 0.000 1.446) 2.298 19.371 ( 7.720 0.000 1.255) 7.822 19.437 ( 2.377 0.000 1.490) 2.806 19.527 ( 5.324 0.000 -7.722) 9.380 19.646 ( -1.469 0.000 2.591) 2.978 20.095 ( 2.280 0.000 -6.404) 6.798 20.328 ( -3.170 0.000 5.487) 6.337 20.523 ( -7.061 0.000 1.280) 7.176 20.728 ( -23.971 0.000 12.396) 26.986 20.963 ( -4.476 0.000 -0.952) 4.576 ======================= Grid point 37 (15/48) ======================= q-point: ( 0.33 0.00 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 6.115 0.000 8.827) 10.738 1.028 ( -3.576 0.000 -2.563) 4.400 1.147 ( 5.536 0.000 0.492) 5.557 1.212 ( 13.167 0.000 7.030) 14.926 1.307 ( 2.444 0.000 12.996) 13.224 1.497 ( 3.575 0.000 -2.043) 4.118 1.641 ( 4.789 0.000 4.813) 6.790 1.658 ( -1.048 0.000 13.897) 13.937 1.779 ( 6.093 0.000 -2.759) 6.688 1.862 ( -5.193 0.000 5.309) 7.426 1.944 ( -8.522 0.000 0.280) 8.527 1.962 ( -1.341 0.000 -3.576) 3.819 2.046 ( 11.685 0.000 -5.641) 12.975 2.069 ( 0.224 0.000 -3.235) 3.243 2.142 ( 0.486 0.000 -1.356) 1.440 2.188 ( -0.701 0.000 -1.041) 1.255 2.201 ( 4.559 0.000 13.560) 14.306 2.277 ( 1.522 0.000 -0.423) 1.580 2.291 ( 8.000 0.000 5.230) 9.558 2.422 ( -1.872 0.000 1.624) 2.478 2.438 ( 2.424 0.000 6.492) 6.930 2.463 ( 1.223 0.000 2.667) 2.934 2.521 ( 4.603 0.000 -0.165) 4.606 2.578 ( -4.949 0.000 -6.152) 7.896 2.674 ( 8.074 0.000 9.129) 12.187 2.695 ( 0.760 0.000 2.794) 2.895 2.767 ( -2.887 0.000 3.622) 4.632 2.800 ( 0.408 0.000 1.767) 1.814 2.814 ( -0.584 0.000 3.111) 3.165 2.843 ( -6.583 0.000 5.820) 8.787 2.910 ( -2.057 0.000 -2.268) 3.062 2.983 ( 3.078 0.000 -4.334) 5.315 2.998 ( -5.475 0.000 -2.906) 6.199 3.002 ( -2.389 0.000 -4.194) 4.826 3.020 ( 3.794 0.000 2.209) 4.390 3.062 ( 1.150 0.000 -5.471) 5.591 3.150 ( -0.503 0.000 3.184) 3.223 3.185 ( 4.848 0.000 3.255) 5.839 3.202 ( -2.127 0.000 -0.216) 2.138 3.251 ( -0.195 0.000 -1.047) 1.065 3.294 ( 0.307 0.000 1.332) 1.367 3.330 ( -4.339 0.000 0.962) 4.445 3.368 ( -1.773 0.000 -0.197) 1.784 3.410 ( 0.272 0.000 3.484) 3.494 3.441 ( -1.913 0.000 -2.801) 3.392 3.505 ( -1.687 0.000 5.459) 5.714 3.539 ( 4.715 0.000 -3.160) 5.676 3.585 ( -8.024 0.000 -3.182) 8.632 3.615 ( -0.343 0.000 0.488) 0.597 3.624 ( 0.770 0.000 -4.164) 4.235 3.698 ( -5.038 0.000 0.794) 5.100 3.761 ( -2.442 0.000 -0.501) 2.493 3.823 ( 2.859 0.000 -1.400) 3.184 3.851 ( -3.313 0.000 -5.586) 6.495 3.880 ( 1.471 0.000 -3.244) 3.562 3.890 ( -5.099 0.000 7.487) 9.058 3.955 ( -1.915 0.000 -1.779) 2.614 3.979 ( -1.327 0.000 -0.154) 1.336 4.009 ( -1.515 0.000 -3.553) 3.863 4.017 ( 4.713 0.000 -9.012) 10.170 4.087 ( 4.639 0.000 5.730) 7.373 4.193 ( 3.380 0.000 -4.237) 5.420 4.274 ( -2.972 0.000 -2.658) 3.987 4.345 ( -2.665 0.000 0.870) 2.804 4.374 ( -0.880 0.000 2.500) 2.650 4.387 ( -3.058 0.000 5.742) 6.505 4.439 ( 1.129 0.000 -1.386) 1.788 4.489 ( -3.339 0.000 3.114) 4.566 4.493 ( 0.442 0.000 0.058) 0.446 4.545 ( -2.053 0.000 0.589) 2.135 4.593 ( -0.146 0.000 -7.202) 7.204 4.630 ( 3.828 0.000 1.823) 4.240 4.721 ( 17.263 0.000 -7.565) 18.848 4.723 ( 2.037 0.000 1.877) 2.770 4.745 ( 0.767 0.000 -6.337) 6.383 4.783 ( 2.525 0.000 3.438) 4.266 4.832 ( 1.597 0.000 3.205) 3.581 4.858 ( 1.096 0.000 -6.307) 6.402 4.931 ( -3.919 0.000 0.596) 3.964 5.037 ( 6.781 0.000 -1.425) 6.930 5.053 ( 3.474 0.000 0.169) 3.478 5.066 ( 4.507 0.000 -7.910) 9.104 5.096 ( 2.317 0.000 0.919) 2.493 5.154 ( 2.283 0.000 4.872) 5.381 5.179 ( 4.578 0.000 -7.493) 8.781 5.226 ( 0.465 0.000 -4.371) 4.396 5.276 ( 3.232 0.000 -7.265) 7.952 5.313 ( 1.660 0.000 -0.759) 1.825 5.391 ( 2.088 0.000 -2.525) 3.276 5.478 ( 1.669 0.000 -2.857) 3.308 5.488 ( 1.403 0.000 3.701) 3.958 5.511 ( 3.562 0.000 0.242) 3.571 5.515 ( 2.500 0.000 -1.867) 3.120 5.537 ( 4.229 0.000 -2.602) 4.965 5.620 ( -5.802 0.000 1.529) 6.000 5.654 ( -2.420 0.000 -2.149) 3.237 5.709 ( -0.826 0.000 -1.676) 1.869 5.730 ( 3.281 0.000 8.084) 8.724 5.761 ( -2.971 0.000 4.460) 5.359 5.791 ( 0.645 0.000 -2.692) 2.768 5.833 ( -4.360 0.000 5.841) 7.289 5.963 ( -11.101 0.000 -3.041) 11.510 6.099 ( -5.771 0.000 2.440) 6.266 6.110 ( 0.871 0.000 1.151) 1.444 6.161 ( -0.893 0.000 1.872) 2.074 6.280 ( -1.355 0.000 -0.192) 1.368 6.299 ( -7.034 0.000 4.550) 8.377 6.325 ( -6.274 0.000 4.219) 7.561 6.400 ( -12.896 0.000 -2.110) 13.067 6.443 ( -1.599 0.000 2.231) 2.745 6.533 ( -4.968 0.000 -5.401) 7.339 6.622 ( 0.783 0.000 2.222) 2.356 6.685 ( 0.429 0.000 -3.141) 3.170 6.695 ( 0.076 0.000 5.629) 5.630 6.753 ( -1.639 0.000 -1.472) 2.203 6.755 ( -5.129 0.000 3.557) 6.241 6.833 ( -5.196 0.000 3.360) 6.188 6.859 ( -2.673 0.000 0.227) 2.682 6.969 ( -3.803 0.000 2.535) 4.571 7.005 ( -3.135 0.000 3.592) 4.768 7.049 ( -3.542 0.000 -0.679) 3.606 7.068 ( -0.225 0.000 1.946) 1.959 7.096 ( 0.693 0.000 -3.299) 3.371 7.248 ( 4.226 0.000 -0.676) 4.279 7.357 ( 0.489 0.000 1.751) 1.818 7.387 ( 3.586 0.000 1.633) 3.940 7.484 ( 1.058 0.000 0.003) 1.058 7.536 ( -2.586 0.000 0.505) 2.635 7.587 ( 2.982 0.000 2.519) 3.904 7.620 ( 2.936 0.000 -4.761) 5.594 7.643 ( -3.900 0.000 -1.504) 4.180 7.782 ( -0.039 0.000 2.954) 2.954 8.323 ( -1.878 0.000 3.100) 3.624 8.341 ( -1.485 0.000 6.573) 6.738 8.421 ( -0.103 0.000 -2.429) 2.431 8.447 ( -1.262 0.000 -1.361) 1.855 8.612 ( -1.930 0.000 -0.120) 1.933 8.701 ( 0.011 0.000 -0.181) 0.182 8.815 ( 6.076 0.000 1.067) 6.168 8.973 ( 1.380 0.000 -0.379) 1.431 9.118 ( 6.122 0.000 0.260) 6.128 9.199 ( 2.763 0.000 0.058) 2.763 9.238 ( 1.571 0.000 0.357) 1.611 9.367 ( 5.003 0.000 -5.050) 7.109 9.619 ( 0.642 0.000 6.019) 6.053 9.783 ( 0.174 0.000 3.074) 3.079 9.951 ( -1.513 0.000 -0.496) 1.592 10.192 ( 0.321 0.000 -4.065) 4.077 10.358 ( -3.645 0.000 -0.219) 3.652 10.502 ( -0.286 0.000 -6.635) 6.641 10.593 ( -2.893 0.000 -0.754) 2.990 10.621 ( 1.159 0.000 -9.220) 9.292 11.060 ( 0.449 0.000 -1.453) 1.521 11.135 ( -1.173 0.000 -2.852) 3.084 11.144 ( 0.047 0.000 -2.084) 2.085 11.197 ( 2.203 0.000 -2.509) 3.339 11.500 ( 7.712 0.000 1.942) 7.953 11.587 ( -0.035 0.000 -0.248) 0.251 11.662 ( 8.178 0.000 2.390) 8.520 11.692 ( 0.156 0.000 2.935) 2.939 11.921 ( 1.062 0.000 -0.656) 1.248 12.055 ( -3.462 0.000 -3.217) 4.726 12.111 ( 8.863 0.000 4.928) 10.140 12.148 ( 2.412 0.000 6.453) 6.889 12.454 ( -1.354 0.000 1.329) 1.898 12.499 ( -1.718 0.000 2.610) 3.125 12.501 ( 1.683 0.000 6.826) 7.031 12.598 ( 0.458 0.000 -1.727) 1.787 12.724 ( -7.986 0.000 -1.602) 8.145 12.798 ( -5.418 0.000 -2.330) 5.897 12.827 ( -0.295 0.000 -4.029) 4.040 13.002 ( -1.568 0.000 -1.533) 2.192 14.328 ( -2.104 0.000 1.754) 2.739 14.414 ( 1.449 0.000 -5.112) 5.314 14.487 ( -2.117 0.000 2.795) 3.507 14.603 ( -1.109 0.000 -3.212) 3.398 17.066 ( 1.732 0.000 0.980) 1.990 17.081 ( -0.541 0.000 1.796) 1.876 17.357 ( 5.057 0.000 -5.851) 7.733 17.598 ( 4.704 0.000 -6.358) 7.909 18.126 ( 1.667 0.000 0.445) 1.725 18.140 ( -2.068 0.000 1.382) 2.487 18.368 ( 0.300 0.000 -0.032) 0.302 18.399 ( -2.225 0.000 -1.972) 2.973 18.830 ( -0.994 0.000 0.696) 1.214 18.892 ( -0.769 0.000 -1.610) 1.784 18.948 ( 1.537 0.000 -3.109) 3.468 18.953 ( 0.496 0.000 -0.089) 0.504 19.024 ( -2.378 0.000 -0.136) 2.382 19.079 ( 2.750 0.000 -3.911) 4.781 19.160 ( 2.280 0.000 0.777) 2.409 19.207 ( 2.048 0.000 1.725) 2.678 19.247 ( 1.103 0.000 4.329) 4.467 19.279 ( -2.051 0.000 -1.037) 2.298 19.306 ( 1.772 0.000 3.118) 3.586 19.432 ( -4.132 0.000 3.693) 5.542 19.492 ( 4.734 0.000 1.227) 4.891 19.651 ( 12.104 0.000 -4.592) 12.946 19.712 ( 6.258 0.000 3.923) 7.386 20.093 ( 0.729 0.000 -7.300) 7.336 20.256 ( -7.117 0.000 1.251) 7.227 20.374 ( -9.111 0.000 2.809) 9.534 20.488 ( -11.610 0.000 10.128) 15.407 20.863 ( -5.485 0.000 -1.472) 5.680 ======================= Grid point 38 (16/48) ======================= q-point: (-0.50 0.00 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -4.442 0.000 5.785) 7.294 0.929 ( -5.722 0.000 -1.611) 5.945 1.206 ( 0.652 0.000 0.146) 0.668 1.361 ( 0.801 0.000 7.692) 7.733 1.417 ( -0.343 0.000 3.960) 3.975 1.475 ( -5.984 0.000 1.452) 6.157 1.616 ( -11.140 0.000 -2.986) 11.533 1.733 ( 4.393 0.000 12.734) 13.470 1.806 ( -7.562 0.000 6.876) 10.220 1.818 ( 0.779 0.000 -1.704) 1.874 1.890 ( 1.053 0.000 -7.134) 7.212 1.957 ( 2.975 0.000 -3.268) 4.419 2.010 ( -2.496 0.000 1.007) 2.692 2.082 ( 3.048 0.000 0.079) 3.049 2.144 ( 3.843 0.000 -5.251) 6.507 2.180 ( -8.986 0.000 5.902) 10.751 2.219 ( -3.492 0.000 0.256) 3.501 2.295 ( -1.924 0.000 -4.992) 5.350 2.399 ( -0.679 0.000 5.758) 5.798 2.411 ( 7.200 0.000 1.934) 7.455 2.481 ( -2.560 0.000 4.063) 4.802 2.499 ( -0.558 0.000 8.093) 8.112 2.599 ( 5.897 0.000 2.466) 6.392 2.632 ( -7.576 0.000 -1.767) 7.779 2.686 ( 6.377 0.000 -0.703) 6.416 2.764 ( -3.528 0.000 4.564) 5.768 2.770 ( -4.344 0.000 0.803) 4.418 2.802 ( -0.611 0.000 -3.645) 3.696 2.836 ( 5.791 0.000 -0.455) 5.809 2.841 ( 6.398 0.000 8.879) 10.944 2.849 ( -2.861 0.000 4.390) 5.240 2.871 ( -2.903 0.000 2.416) 3.777 2.971 ( 0.039 0.000 -5.412) 5.413 2.998 ( 1.327 0.000 -2.575) 2.896 3.025 ( -10.761 0.000 1.291) 10.838 3.038 ( -1.630 0.000 -1.761) 2.399 3.150 ( -8.707 0.000 3.223) 9.284 3.169 ( 5.331 0.000 -0.754) 5.384 3.236 ( 3.294 0.000 3.262) 4.636 3.275 ( -1.369 0.000 1.554) 2.071 3.308 ( -2.759 0.000 0.071) 2.760 3.340 ( 7.262 0.000 4.230) 8.404 3.366 ( 8.543 0.000 2.435) 8.883 3.421 ( 3.382 0.000 4.695) 5.787 3.455 ( -0.496 0.000 0.931) 1.055 3.537 ( -0.043 0.000 1.014) 1.015 3.552 ( 2.739 0.000 2.149) 3.482 3.568 ( 1.028 0.000 -0.468) 1.129 3.603 ( 4.587 0.000 -4.646) 6.529 3.654 ( -0.284 0.000 0.833) 0.880 3.661 ( 1.052 0.000 -1.125) 1.540 3.755 ( -2.999 0.000 0.544) 3.048 3.764 ( 0.248 0.000 3.321) 3.330 3.836 ( -3.679 0.000 -4.198) 5.582 3.865 ( -1.856 0.000 -3.098) 3.611 3.912 ( -0.850 0.000 -0.047) 0.851 3.933 ( -1.411 0.000 0.296) 1.442 3.954 ( 7.727 0.000 -0.636) 7.754 4.002 ( 2.884 0.000 -5.148) 5.901 4.076 ( 6.991 0.000 -6.871) 9.802 4.181 ( -0.571 0.000 3.904) 3.945 4.225 ( -1.687 0.000 3.114) 3.541 4.226 ( 2.653 0.000 -5.737) 6.321 4.298 ( -5.092 0.000 0.694) 5.139 4.329 ( 0.129 0.000 1.343) 1.349 4.354 ( -3.047 0.000 -1.938) 3.611 4.403 ( 1.204 0.000 1.765) 2.137 4.445 ( -2.306 0.000 3.596) 4.272 4.468 ( -4.328 0.000 -0.274) 4.337 4.513 ( -0.064 0.000 -7.938) 7.939 4.515 ( -2.909 0.000 1.457) 3.254 4.651 ( -2.576 0.000 -5.296) 5.889 4.679 ( -0.094 0.000 -4.352) 4.353 4.756 ( -1.301 0.000 0.254) 1.325 4.824 ( -1.110 0.000 -0.309) 1.152 4.835 ( -0.990 0.000 -0.271) 1.027 4.876 ( 1.051 0.000 2.768) 2.960 4.890 ( -0.757 0.000 4.380) 4.445 4.997 ( 8.950 0.000 -6.283) 10.935 5.070 ( 6.222 0.000 -18.260) 19.291 5.095 ( -0.150 0.000 0.823) 0.837 5.105 ( -0.300 0.000 -2.862) 2.878 5.147 ( 2.851 0.000 4.936) 5.700 5.203 ( 0.827 0.000 -6.376) 6.430 5.225 ( 1.947 0.000 -6.984) 7.250 5.256 ( 4.000 0.000 0.098) 4.002 5.281 ( -2.432 0.000 -0.615) 2.508 5.331 ( 3.465 0.000 0.434) 3.492 5.336 ( -10.783 0.000 0.546) 10.796 5.424 ( 2.221 0.000 -2.764) 3.546 5.434 ( -2.392 0.000 -4.119) 4.763 5.552 ( 4.278 0.000 0.147) 4.281 5.568 ( 1.690 0.000 1.411) 2.202 5.583 ( -4.507 0.000 -1.579) 4.775 5.635 ( 3.039 0.000 0.533) 3.085 5.642 ( 5.062 0.000 -2.817) 5.793 5.670 ( 2.364 0.000 -1.191) 2.647 5.737 ( -2.145 0.000 -3.796) 4.360 5.807 ( -0.004 0.000 2.030) 2.030 5.825 ( -2.449 0.000 6.091) 6.565 5.858 ( 3.658 0.000 10.778) 11.382 5.898 ( 8.044 0.000 0.755) 8.080 5.976 ( -6.734 0.000 1.232) 6.846 6.105 ( -3.142 0.000 -1.317) 3.406 6.188 ( -5.919 0.000 6.810) 9.023 6.197 ( 0.161 0.000 5.151) 5.153 6.232 ( -1.938 0.000 0.783) 2.090 6.261 ( 0.033 0.000 -0.497) 0.498 6.306 ( 3.268 0.000 1.825) 3.743 6.433 ( -1.500 0.000 0.475) 1.573 6.493 ( 3.009 0.000 0.091) 3.010 6.626 ( -1.626 0.000 -0.725) 1.780 6.651 ( -4.363 0.000 1.426) 4.590 6.665 ( -5.235 0.000 3.472) 6.282 6.697 ( 2.237 0.000 -1.942) 2.962 6.749 ( 0.918 0.000 -1.402) 1.675 6.802 ( -1.440 0.000 1.413) 2.017 6.812 ( -1.334 0.000 -0.663) 1.489 6.946 ( -1.004 0.000 2.480) 2.676 6.959 ( -3.659 0.000 2.350) 4.349 6.996 ( -0.575 0.000 -1.423) 1.535 7.107 ( 2.747 0.000 2.289) 3.576 7.123 ( 3.941 0.000 -4.683) 6.120 7.287 ( 0.797 0.000 -1.249) 1.482 7.365 ( -0.671 0.000 2.043) 2.150 7.437 ( -0.874 0.000 1.066) 1.378 7.497 ( -0.365 0.000 1.604) 1.645 7.498 ( 0.562 0.000 0.498) 0.751 7.593 ( -0.940 0.000 -1.225) 1.544 7.633 ( 1.681 0.000 -4.629) 4.924 7.652 ( 1.885 0.000 4.345) 4.736 7.779 ( -2.386 0.000 1.454) 2.794 8.304 ( -1.741 0.000 1.977) 2.634 8.360 ( -1.411 0.000 7.943) 8.067 8.423 ( 1.774 0.000 -1.080) 2.077 8.486 ( 4.057 0.000 3.938) 5.654 8.604 ( 0.699 0.000 0.763) 1.035 8.688 ( -0.704 0.000 -1.431) 1.594 8.896 ( 1.081 0.000 2.355) 2.591 9.005 ( 1.692 0.000 1.765) 2.445 9.168 ( -1.583 0.000 -1.645) 2.283 9.234 ( 0.948 0.000 1.163) 1.500 9.241 ( -1.358 0.000 -1.115) 1.757 9.359 ( -1.610 0.000 -7.152) 7.331 9.655 ( -0.869 0.000 6.037) 6.099 9.790 ( -1.361 0.000 3.145) 3.427 9.946 ( 1.176 0.000 -0.621) 1.330 10.166 ( 0.545 0.000 -5.976) 6.001 10.262 ( -3.831 0.000 -2.770) 4.728 10.491 ( 3.210 0.000 -5.799) 6.628 10.543 ( -1.044 0.000 -2.958) 3.137 10.594 ( 1.990 0.000 -10.108) 10.302 11.055 ( 0.056 0.000 -1.700) 1.701 11.106 ( -0.265 0.000 -2.975) 2.986 11.139 ( 0.331 0.000 -1.989) 2.016 11.217 ( 1.875 0.000 -2.694) 3.282 11.574 ( -1.040 0.000 0.028) 1.040 11.583 ( -1.979 0.000 1.318) 2.378 11.725 ( 1.455 0.000 4.033) 4.288 11.780 ( 0.285 0.000 4.473) 4.482 11.968 ( 3.019 0.000 3.024) 4.273 12.080 ( 8.867 0.000 4.929) 10.145 12.200 ( -0.334 0.000 9.217) 9.223 12.265 ( 1.334 0.000 8.202) 8.310 12.455 ( 0.583 0.000 1.591) 1.695 12.482 ( -11.018 0.000 -0.974) 11.061 12.487 ( -1.359 0.000 2.815) 3.126 12.582 ( -0.517 0.000 -2.575) 2.626 12.620 ( 1.007 0.000 -1.309) 1.651 12.701 ( -0.532 0.000 -5.495) 5.521 12.804 ( 0.523 0.000 -4.971) 4.999 12.960 ( -1.302 0.000 -3.837) 4.052 14.292 ( -2.113 0.000 -0.124) 2.117 14.414 ( 1.674 0.000 -4.784) 5.069 14.459 ( -2.029 0.000 1.337) 2.430 14.596 ( 2.030 0.000 -2.155) 2.961 17.085 ( -0.128 0.000 2.238) 2.241 17.117 ( 1.660 0.000 4.217) 4.532 17.374 ( 0.590 0.000 -6.549) 6.575 17.612 ( 1.650 0.000 -7.215) 7.401 18.120 ( -0.769 0.000 1.233) 1.453 18.175 ( 2.339 0.000 3.174) 3.943 18.343 ( -1.981 0.000 -4.223) 4.665 18.370 ( -0.093 0.000 -0.338) 0.350 18.808 ( -1.379 0.000 -0.288) 1.409 18.888 ( 1.129 0.000 -0.836) 1.405 18.942 ( 0.491 0.000 -0.583) 0.762 18.972 ( 1.455 0.000 -4.093) 4.344 18.987 ( -1.236 0.000 -1.525) 1.963 19.090 ( 0.975 0.000 -4.756) 4.855 19.196 ( 1.167 0.000 1.109) 1.609 19.217 ( -0.839 0.000 0.065) 0.841 19.224 ( -2.746 0.000 -2.102) 3.458 19.277 ( -2.389 0.000 5.866) 6.334 19.362 ( -2.989 0.000 6.716) 7.351 19.390 ( 2.609 0.000 2.845) 3.860 19.562 ( 0.762 0.000 2.527) 2.640 19.829 ( 7.013 0.000 -1.209) 7.116 19.878 ( 8.071 0.000 10.326) 13.106 20.021 ( -0.543 0.000 -9.551) 9.566 20.119 ( -7.341 0.000 -2.474) 7.746 20.300 ( -1.712 0.000 4.044) 4.391 20.381 ( -6.492 0.000 5.636) 8.597 20.788 ( -0.200 0.000 -3.588) 3.593 ======================= Grid point 39 (17/48) ======================= q-point: (-0.33 0.00 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -14.641 0.000 7.244) 16.335 0.817 ( -7.827 0.000 3.631) 8.628 1.179 ( -4.149 0.000 1.193) 4.317 1.208 ( -18.004 0.000 10.488) 20.836 1.330 ( -6.790 0.000 4.162) 7.964 1.379 ( -9.310 0.000 -6.724) 11.485 1.571 ( 4.234 0.000 6.270) 7.566 1.632 ( -23.797 0.000 12.278) 26.778 1.707 ( -11.097 0.000 5.098) 12.212 1.725 ( -4.817 0.000 -8.983) 10.193 1.840 ( -3.476 0.000 0.548) 3.519 1.995 ( -0.896 0.000 -1.849) 2.055 2.023 ( -3.234 0.000 2.060) 3.834 2.048 ( -2.050 0.000 1.561) 2.577 2.116 ( -3.297 0.000 -2.492) 4.133 2.146 ( 1.104 0.000 -5.052) 5.171 2.216 ( 8.322 0.000 3.171) 8.906 2.302 ( -10.652 0.000 1.276) 10.728 2.307 ( 3.090 0.000 2.651) 4.071 2.416 ( -6.059 0.000 4.351) 7.459 2.503 ( -1.967 0.000 3.818) 4.295 2.534 ( 1.487 0.000 0.075) 1.488 2.545 ( 1.439 0.000 0.577) 1.551 2.642 ( -0.213 0.000 8.108) 8.111 2.648 ( -7.409 0.000 -5.304) 9.111 2.706 ( -2.769 0.000 0.725) 2.862 2.749 ( -0.479 0.000 3.223) 3.258 2.782 ( 7.587 0.000 2.333) 7.938 2.843 ( -3.110 0.000 5.192) 6.052 2.881 ( 0.109 0.000 -0.860) 0.867 2.899 ( -3.489 0.000 -0.775) 3.574 2.956 ( -0.555 0.000 0.198) 0.589 2.990 ( -1.075 0.000 0.608) 1.235 2.997 ( 6.536 0.000 3.488) 7.409 3.038 ( 4.252 0.000 -4.122) 5.922 3.079 ( 7.203 0.000 2.689) 7.689 3.126 ( 7.241 0.000 2.557) 7.680 3.221 ( 3.759 0.000 0.400) 3.780 3.244 ( 0.993 0.000 -4.216) 4.331 3.298 ( -3.927 0.000 3.179) 5.052 3.307 ( -0.281 0.000 3.227) 3.239 3.407 ( -1.960 0.000 3.789) 4.266 3.490 ( 4.422 0.000 -1.556) 4.688 3.493 ( 7.020 0.000 -1.707) 7.225 3.519 ( 5.275 0.000 -1.138) 5.396 3.565 ( 2.419 0.000 1.090) 2.653 3.589 ( -2.098 0.000 -2.025) 2.916 3.645 ( 0.037 0.000 4.456) 4.457 3.649 ( 8.124 0.000 6.235) 10.241 3.666 ( 1.080 0.000 4.317) 4.450 3.666 ( 0.916 0.000 -1.993) 2.194 3.756 ( 2.652 0.000 -3.681) 4.537 3.766 ( 0.112 0.000 -6.849) 6.850 3.815 ( 1.441 0.000 3.904) 4.161 3.834 ( 2.369 0.000 2.064) 3.142 3.896 ( -3.829 0.000 1.989) 4.315 3.912 ( 2.363 0.000 -1.342) 2.717 3.984 ( -1.599 0.000 -5.419) 5.650 4.023 ( 1.975 0.000 -8.301) 8.532 4.137 ( 1.500 0.000 -3.424) 3.738 4.150 ( 2.051 0.000 2.649) 3.350 4.212 ( -3.582 0.000 -0.917) 3.698 4.220 ( -2.389 0.000 1.549) 2.847 4.246 ( 1.110 0.000 -1.496) 1.863 4.329 ( -3.202 0.000 -0.146) 3.205 4.349 ( 2.582 0.000 2.209) 3.398 4.384 ( -1.586 0.000 -1.477) 2.167 4.429 ( -3.593 0.000 2.674) 4.479 4.476 ( 2.225 0.000 1.719) 2.812 4.500 ( -1.880 0.000 0.048) 1.881 4.511 ( 2.101 0.000 -0.384) 2.136 4.534 ( -4.446 0.000 -9.066) 10.097 4.660 ( -4.035 0.000 -2.652) 4.828 4.668 ( -0.033 0.000 -2.299) 2.299 4.765 ( -5.233 0.000 2.636) 5.860 4.841 ( 3.215 0.000 -2.985) 4.387 4.873 ( -9.751 0.000 -19.141) 21.482 4.901 ( -0.917 0.000 4.128) 4.229 4.961 ( 2.194 0.000 3.212) 3.890 4.984 ( -8.381 0.000 -1.023) 8.444 5.033 ( 0.371 0.000 -3.612) 3.631 5.050 ( -2.835 0.000 -3.873) 4.800 5.130 ( -6.192 0.000 -2.793) 6.793 5.187 ( -0.162 0.000 -7.814) 7.816 5.205 ( 0.336 0.000 2.441) 2.464 5.269 ( -0.083 0.000 3.024) 3.025 5.275 ( -0.155 0.000 -3.347) 3.351 5.346 ( 5.100 0.000 -6.947) 8.618 5.359 ( -3.217 0.000 2.621) 4.150 5.405 ( 2.410 0.000 2.402) 3.403 5.429 ( 0.651 0.000 -1.938) 2.044 5.526 ( -0.141 0.000 0.860) 0.871 5.585 ( -1.019 0.000 1.662) 1.949 5.626 ( 1.888 0.000 -2.219) 2.914 5.634 ( -2.937 0.000 0.598) 2.997 5.689 ( 3.867 0.000 -1.033) 4.003 5.695 ( 0.418 0.000 0.447) 0.612 5.805 ( 9.613 0.000 -1.366) 9.710 5.827 ( 1.554 0.000 -0.398) 1.604 5.864 ( 1.285 0.000 6.446) 6.572 5.902 ( -2.074 0.000 7.324) 7.612 5.969 ( -2.029 0.000 0.499) 2.089 6.005 ( 5.542 0.000 2.276) 5.991 6.084 ( 3.649 0.000 0.617) 3.701 6.175 ( 1.086 0.000 -2.711) 2.920 6.243 ( 1.579 0.000 4.208) 4.494 6.287 ( 8.464 0.000 1.670) 8.627 6.311 ( 6.367 0.000 2.362) 6.791 6.405 ( -0.920 0.000 0.207) 0.943 6.451 ( 7.595 0.000 1.234) 7.694 6.520 ( -6.912 0.000 -1.646) 7.105 6.595 ( -1.398 0.000 0.001) 1.398 6.638 ( 10.687 0.000 5.395) 11.972 6.659 ( 1.050 0.000 -1.186) 1.585 6.708 ( -1.207 0.000 -1.882) 2.236 6.756 ( 1.249 0.000 -0.145) 1.258 6.793 ( -0.804 0.000 3.373) 3.468 6.825 ( 3.484 0.000 -2.539) 4.311 6.947 ( 1.601 0.000 3.256) 3.629 6.971 ( 2.009 0.000 2.540) 3.238 7.014 ( 2.668 0.000 0.167) 2.673 7.143 ( -0.975 0.000 1.905) 2.140 7.152 ( 0.437 0.000 -3.111) 3.142 7.276 ( 1.518 0.000 -2.998) 3.360 7.369 ( -0.067 0.000 2.596) 2.597 7.425 ( -0.726 0.000 4.187) 4.249 7.490 ( -2.738 0.000 -0.219) 2.747 7.516 ( 1.249 0.000 -0.562) 1.370 7.589 ( 0.949 0.000 0.858) 1.279 7.639 ( 2.033 0.000 -3.127) 3.730 7.701 ( 0.559 0.000 5.841) 5.868 7.725 ( -3.445 0.000 0.197) 3.450 8.290 ( -0.618 0.000 1.044) 1.214 8.381 ( -1.367 0.000 8.942) 9.046 8.471 ( 3.769 0.000 0.093) 3.771 8.595 ( 4.353 0.000 3.552) 5.618 8.636 ( 2.218 0.000 0.741) 2.338 8.674 ( 0.452 0.000 -0.371) 0.585 8.862 ( -5.999 0.000 2.772) 6.609 9.021 ( -1.810 0.000 1.240) 2.194 9.102 ( -3.771 0.000 -1.085) 3.924 9.166 ( -4.975 0.000 -6.736) 8.374 9.204 ( -4.132 0.000 0.073) 4.132 9.269 ( -3.574 0.000 -4.037) 5.392 9.651 ( -2.966 0.000 6.364) 7.021 9.783 ( -1.782 0.000 5.257) 5.551 9.990 ( 4.016 0.000 -1.082) 4.160 10.128 ( -1.533 0.000 -4.469) 4.724 10.212 ( -1.069 0.000 -5.248) 5.356 10.518 ( -0.057 0.000 -4.122) 4.122 10.545 ( 6.262 0.000 -5.802) 8.537 10.601 ( 5.017 0.000 -7.861) 9.326 11.054 ( 0.960 0.000 -0.716) 1.197 11.091 ( 0.496 0.000 -3.620) 3.654 11.139 ( 1.054 0.000 -2.060) 2.314 11.235 ( 1.984 0.000 -3.308) 3.858 11.541 ( -1.991 0.000 2.217) 2.980 11.543 ( -3.836 0.000 2.334) 4.490 11.711 ( -5.563 0.000 3.287) 6.462 11.776 ( 1.030 0.000 4.196) 4.320 12.090 ( 1.435 0.000 7.174) 7.316 12.118 ( -13.049 0.000 -4.906) 13.940 12.218 ( 1.279 0.000 5.367) 5.517 12.245 ( -2.696 0.000 9.379) 9.759 12.403 ( -2.307 0.000 10.752) 10.996 12.439 ( -7.685 0.000 -16.874) 18.541 12.470 ( -0.080 0.000 1.658) 1.659 12.498 ( 0.797 0.000 2.467) 2.593 12.619 ( 0.417 0.000 -2.844) 2.874 12.778 ( 7.129 0.000 -1.343) 7.254 12.810 ( 3.844 0.000 -4.689) 6.063 12.941 ( 2.437 0.000 -3.822) 4.533 14.263 ( -0.590 0.000 -0.933) 1.103 14.423 ( 2.107 0.000 -3.613) 4.182 14.439 ( -0.684 0.000 0.681) 0.965 14.644 ( 4.147 0.000 -1.280) 4.340 17.088 ( -0.973 0.000 2.114) 2.327 17.161 ( -0.140 0.000 5.867) 5.869 17.318 ( -2.491 0.000 -5.623) 6.150 17.556 ( -2.397 0.000 -15.639) 15.822 18.133 ( 1.414 0.000 1.072) 1.775 18.220 ( -0.565 0.000 4.232) 4.269 18.302 ( 0.988 0.000 -4.087) 4.205 18.359 ( -0.769 0.000 -0.607) 0.979 18.787 ( -0.842 0.000 0.189) 0.863 18.920 ( 2.920 0.000 -0.614) 2.984 18.952 ( 0.904 0.000 -3.225) 3.350 18.967 ( 0.708 0.000 -1.389) 1.559 18.968 ( 0.216 0.000 -1.880) 1.893 19.060 ( -0.737 0.000 -5.533) 5.582 19.172 ( -4.704 0.000 2.871) 5.511 19.175 ( -2.186 0.000 0.835) 2.341 19.222 ( 1.370 0.000 0.054) 1.371 19.249 ( -3.302 0.000 4.379) 5.485 19.332 ( -0.799 0.000 -1.603) 1.791 19.471 ( 0.709 0.000 7.636) 7.668 19.507 ( -7.322 0.000 0.219) 7.325 19.798 ( -6.740 0.000 1.476) 6.900 19.953 ( -4.947 0.000 -10.032) 11.186 20.072 ( 6.962 0.000 -8.993) 11.373 20.157 ( 10.791 0.000 27.643) 29.674 20.316 ( -3.598 0.000 3.781) 5.220 20.338 ( 5.152 0.000 1.211) 5.293 20.837 ( 7.227 0.000 -3.074) 7.854 ======================= Grid point 40 (18/48) ======================= q-point: (-0.17 0.00 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -16.841 0.000 13.672) 21.692 0.660 ( -19.061 0.000 16.552) 25.245 0.976 ( -12.447 0.000 5.832) 13.746 1.059 ( -6.994 0.000 -2.219) 7.338 1.119 ( -25.001 0.000 32.100) 40.688 1.295 ( -7.650 0.000 8.506) 11.440 1.303 ( 1.116 0.000 2.040) 2.326 1.545 ( -12.157 0.000 10.584) 16.119 1.623 ( -0.278 0.000 -8.648) 8.653 1.684 ( 2.227 0.000 6.613) 6.977 1.773 ( -6.116 0.000 4.695) 7.710 1.892 ( -6.444 0.000 2.422) 6.884 1.943 ( -5.710 0.000 0.707) 5.754 2.047 ( -0.800 0.000 0.143) 0.813 2.097 ( 1.780 0.000 -2.074) 2.733 2.132 ( -0.605 0.000 -1.389) 1.515 2.162 ( 1.237 0.000 -3.047) 3.289 2.347 ( 0.249 0.000 -3.154) 3.163 2.392 ( 5.816 0.000 -1.787) 6.085 2.405 ( -8.315 0.000 3.984) 9.220 2.489 ( 3.638 0.000 -0.855) 3.737 2.501 ( 0.891 0.000 -0.229) 0.920 2.552 ( -1.080 0.000 4.744) 4.865 2.558 ( -0.226 0.000 0.917) 0.945 2.675 ( -3.865 0.000 -3.387) 5.139 2.725 ( 1.582 0.000 2.995) 3.387 2.777 ( 1.024 0.000 6.458) 6.538 2.796 ( -7.614 0.000 -0.179) 7.616 2.828 ( 0.068 0.000 -0.193) 0.204 2.868 ( -0.750 0.000 6.345) 6.389 2.921 ( 2.619 0.000 1.225) 2.891 2.960 ( 0.836 0.000 1.294) 1.541 2.967 ( 1.988 0.000 2.470) 3.171 3.045 ( -1.605 0.000 -2.690) 3.132 3.082 ( 5.851 0.000 -6.031) 8.403 3.154 ( -0.083 0.000 -0.308) 0.319 3.229 ( -0.761 0.000 -0.510) 0.915 3.231 ( 2.380 0.000 4.833) 5.387 3.236 ( -1.565 0.000 -3.502) 3.836 3.319 ( -1.996 0.000 -1.900) 2.756 3.374 ( 8.858 0.000 -1.342) 8.959 3.438 ( 2.477 0.000 5.056) 5.630 3.474 ( -2.341 0.000 -0.928) 2.519 3.522 ( -5.638 0.000 -1.737) 5.900 3.554 ( -0.653 0.000 -4.045) 4.098 3.557 ( -0.166 0.000 -6.539) 6.541 3.613 ( 6.350 0.000 -0.124) 6.351 3.642 ( 3.900 0.000 0.848) 3.991 3.682 ( -0.658 0.000 1.070) 1.256 3.713 ( 2.505 0.000 -1.589) 2.967 3.724 ( 0.294 0.000 -3.655) 3.667 3.782 ( 3.049 0.000 1.364) 3.341 3.857 ( 1.630 0.000 -2.544) 3.022 3.874 ( 9.120 0.000 6.661) 11.294 3.902 ( -2.187 0.000 -2.890) 3.624 3.909 ( 4.300 0.000 6.760) 8.012 3.977 ( 3.141 0.000 -8.129) 8.715 3.995 ( 8.029 0.000 4.087) 9.009 4.013 ( 2.317 0.000 -2.791) 3.627 4.106 ( -6.269 0.000 -2.295) 6.676 4.139 ( -3.630 0.000 -0.705) 3.697 4.171 ( -2.727 0.000 6.423) 6.978 4.241 ( -0.043 0.000 -2.559) 2.559 4.246 ( 6.631 0.000 0.713) 6.670 4.271 ( -3.210 0.000 -5.776) 6.608 4.308 ( -3.712 0.000 5.044) 6.263 4.350 ( -0.884 0.000 -9.327) 9.369 4.443 ( -2.600 0.000 -4.331) 5.052 4.451 ( 1.307 0.000 2.140) 2.508 4.457 ( 1.349 0.000 4.802) 4.988 4.490 ( -0.195 0.000 5.450) 5.453 4.508 ( -8.055 0.000 -4.330) 9.145 4.579 ( -3.538 0.000 -6.624) 7.510 4.638 ( -1.964 0.000 0.103) 1.966 4.671 ( 3.156 0.000 -9.700) 10.200 4.703 ( -2.759 0.000 6.415) 6.983 4.876 ( -4.785 0.000 -3.025) 5.660 4.877 ( -3.571 0.000 1.678) 3.946 4.911 ( 2.496 0.000 -0.730) 2.600 4.916 ( -1.533 0.000 -4.696) 4.940 4.995 ( 0.178 0.000 -3.095) 3.100 5.022 ( -2.560 0.000 2.856) 3.836 5.127 ( 4.899 0.000 -1.535) 5.134 5.137 ( 1.441 0.000 -9.620) 9.727 5.180 ( -1.838 0.000 -7.925) 8.135 5.221 ( -2.108 0.000 2.127) 2.995 5.248 ( -1.502 0.000 1.904) 2.425 5.323 ( -2.085 0.000 3.680) 4.230 5.347 ( -1.864 0.000 -7.771) 7.992 5.432 ( -0.222 0.000 1.558) 1.573 5.452 ( -1.931 0.000 1.526) 2.461 5.541 ( 0.155 0.000 -2.367) 2.372 5.553 ( -2.061 0.000 -1.142) 2.356 5.598 ( 0.601 0.000 2.054) 2.140 5.684 ( -2.587 0.000 1.735) 3.115 5.725 ( 4.377 0.000 1.430) 4.604 5.766 ( 10.817 0.000 0.040) 10.817 5.833 ( -2.544 0.000 3.037) 3.962 5.845 ( -1.402 0.000 2.559) 2.918 5.927 ( 2.916 0.000 5.309) 6.057 5.945 ( -2.337 0.000 1.367) 2.708 6.022 ( 7.270 0.000 1.884) 7.510 6.104 ( 2.607 0.000 4.901) 5.551 6.106 ( -3.913 0.000 -2.764) 4.791 6.133 ( 2.709 0.000 -7.106) 7.605 6.337 ( 5.509 0.000 1.433) 5.692 6.385 ( 1.242 0.000 0.921) 1.546 6.431 ( 5.920 0.000 -2.472) 6.415 6.437 ( -1.379 0.000 0.704) 1.549 6.508 ( -0.560 0.000 -2.619) 2.678 6.547 ( 9.635 0.000 3.776) 10.349 6.589 ( 1.921 0.000 2.949) 3.520 6.642 ( -2.886 0.000 -1.067) 3.077 6.698 ( 3.944 0.000 0.447) 3.969 6.765 ( -0.680 0.000 -1.270) 1.441 6.808 ( 0.292 0.000 3.343) 3.356 6.809 ( 1.077 0.000 -0.605) 1.235 6.904 ( 5.556 0.000 1.786) 5.836 6.995 ( 0.984 0.000 1.519) 1.810 7.019 ( -1.376 0.000 1.698) 2.186 7.048 ( 1.162 0.000 1.411) 1.828 7.116 ( 0.003 0.000 0.125) 0.125 7.147 ( 1.284 0.000 0.941) 1.592 7.333 ( 3.561 0.000 -0.612) 3.613 7.373 ( -3.311 0.000 2.201) 3.975 7.417 ( -1.914 0.000 -0.516) 1.982 7.446 ( -0.268 0.000 1.459) 1.484 7.529 ( 1.445 0.000 -2.668) 3.034 7.646 ( -2.689 0.000 0.025) 2.689 7.652 ( 2.319 0.000 -3.399) 4.115 7.699 ( 2.780 0.000 -1.589) 3.202 7.821 ( 15.133 0.000 16.435) 22.341 8.298 ( 1.009 0.000 0.890) 1.345 8.382 ( -3.394 0.000 2.130) 4.007 8.540 ( 3.310 0.000 -0.149) 3.314 8.622 ( -1.173 0.000 -1.564) 1.955 8.692 ( 4.369 0.000 1.695) 4.686 8.703 ( 0.216 0.000 -0.695) 0.728 8.783 ( -3.106 0.000 5.348) 6.184 8.949 ( -5.402 0.000 -0.952) 5.485 9.010 ( -5.514 0.000 -1.480) 5.710 9.058 ( -2.092 0.000 -4.149) 4.646 9.163 ( -0.221 0.000 0.498) 0.545 9.210 ( -0.780 0.000 -1.366) 1.573 9.673 ( 2.149 0.000 12.128) 12.317 9.783 ( -2.280 0.000 6.974) 7.337 10.023 ( 1.509 0.000 -6.590) 6.761 10.089 ( -0.708 0.000 -3.330) 3.405 10.163 ( -1.199 0.000 1.572) 1.977 10.491 ( -0.274 0.000 -2.405) 2.421 10.635 ( 6.408 0.000 -3.787) 7.444 10.675 ( 6.517 0.000 -6.904) 9.494 11.080 ( 0.919 0.000 -3.768) 3.878 11.084 ( 2.467 0.000 -0.537) 2.525 11.147 ( 1.096 0.000 -2.715) 2.928 11.244 ( 1.081 0.000 -4.604) 4.729 11.450 ( -7.672 0.000 3.223) 8.322 11.549 ( 0.571 0.000 2.378) 2.446 11.684 ( -0.236 0.000 4.287) 4.293 11.725 ( -12.984 0.000 -10.909) 16.958 11.925 ( -4.284 0.000 -1.436) 4.518 12.008 ( -18.009 0.000 -19.774) 26.746 12.027 ( -9.397 0.000 0.988) 9.449 12.191 ( -4.899 0.000 1.331) 5.077 12.332 ( 0.544 0.000 9.126) 9.143 12.433 ( -1.722 0.000 12.957) 13.071 12.490 ( 0.524 0.000 2.772) 2.821 12.516 ( 0.027 0.000 1.525) 1.525 12.618 ( 0.956 0.000 -1.335) 1.642 12.873 ( 4.323 0.000 -2.809) 5.156 12.876 ( 4.437 0.000 -0.824) 4.513 12.997 ( 4.371 0.000 -1.326) 4.568 14.265 ( 1.196 0.000 -0.050) 1.197 14.446 ( 0.689 0.000 1.499) 1.650 14.453 ( 2.639 0.000 -0.959) 2.808 14.707 ( 3.171 0.000 -1.635) 3.568 17.073 ( -1.575 0.000 0.853) 1.791 17.169 ( -2.412 0.000 5.250) 5.778 17.251 ( -2.085 0.000 -4.809) 5.241 17.296 ( -15.058 0.000 -19.829) 24.899 18.170 ( 1.869 0.000 0.169) 1.877 18.204 ( -1.980 0.000 1.276) 2.355 18.340 ( 3.416 0.000 1.139) 3.601 18.343 ( -0.559 0.000 0.178) 0.587 18.782 ( -0.113 0.000 1.391) 1.395 18.923 ( -1.266 0.000 -4.344) 4.525 18.964 ( 1.880 0.000 -2.817) 3.387 18.990 ( 3.493 0.000 0.554) 3.537 18.993 ( 1.381 0.000 1.837) 2.298 19.023 ( -0.032 0.000 -4.049) 4.049 19.124 ( -1.891 0.000 3.956) 4.384 19.149 ( -1.601 0.000 1.446) 2.157 19.205 ( -3.602 0.000 0.486) 3.635 19.235 ( -0.517 0.000 -1.072) 1.190 19.316 ( -0.320 0.000 -1.529) 1.562 19.379 ( -5.080 0.000 1.046) 5.187 19.458 ( -4.948 0.000 0.379) 4.962 19.664 ( -7.817 0.000 -2.235) 8.130 19.808 ( -6.227 0.000 -3.974) 7.387 20.099 ( 2.201 0.000 -6.957) 7.297 20.300 ( -0.903 0.000 4.718) 4.803 20.476 ( 7.963 0.000 0.488) 7.978 20.680 ( 29.997 0.000 33.289) 44.810 20.956 ( 6.645 0.000 -2.591) 7.132 ======================= Grid point 41 (19/48) ======================= q-point: ( 0.00 0.25 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 0.480 12.162 18.068) 21.785 0.812 ( 5.838 15.582 21.249) 26.989 0.948 ( 0.265 3.673 1.860) 4.126 1.032 ( -0.956 2.160 10.614) 10.874 1.169 ( -5.840 6.540 19.358) 21.251 1.306 ( -6.849 0.565 13.412) 15.070 1.358 ( -3.585 -2.528 2.505) 5.052 1.569 ( 8.587 14.039 19.609) 25.600 1.640 ( 1.544 3.476 -3.967) 5.496 1.683 ( 5.062 -0.670 2.664) 5.759 1.778 ( -0.771 2.159 0.512) 2.349 1.846 ( 0.764 -3.059 3.540) 4.741 1.851 ( -0.765 2.259 3.623) 4.337 2.023 ( -2.424 -3.032 -0.683) 3.941 2.087 ( -4.264 -7.101 -4.979) 9.664 2.121 ( 0.060 -3.426 -3.233) 4.711 2.162 ( 1.696 0.862 4.598) 4.976 2.249 ( -1.413 -2.304 -2.551) 3.717 2.320 ( -5.622 1.220 -3.489) 6.728 2.431 ( 3.531 4.417 2.823) 6.320 2.436 ( -2.189 -4.425 1.204) 5.082 2.492 ( 1.596 -1.990 -0.125) 2.554 2.540 ( 0.405 0.246 -0.425) 0.637 2.551 ( 2.154 -4.046 2.433) 5.189 2.652 ( -1.778 1.810 1.204) 2.809 2.681 ( 2.181 -0.864 2.650) 3.539 2.751 ( -3.446 -0.117 1.865) 3.920 2.790 ( 3.217 -3.257 2.463) 5.198 2.845 ( -1.344 -0.577 -3.969) 4.230 2.849 ( -3.625 1.066 2.387) 4.469 2.897 ( -1.343 0.216 -4.571) 4.769 2.953 ( -0.201 5.149 1.097) 5.268 3.020 ( -2.143 -0.676 -2.353) 3.254 3.053 ( 0.770 -3.831 -1.445) 4.166 3.137 ( -1.707 -0.737 -0.362) 1.894 3.153 ( 0.996 3.526 2.884) 4.663 3.234 ( -1.927 3.366 -3.351) 5.125 3.277 ( 0.811 5.039 -1.635) 5.359 3.289 ( -2.698 4.702 -3.051) 6.221 3.338 ( 4.122 -1.158 -1.823) 4.653 3.346 ( -3.106 -3.550 1.535) 4.961 3.399 ( -1.461 -1.565 -8.021) 8.302 3.444 ( -6.189 -0.248 -2.271) 6.597 3.492 ( 0.674 -2.485 0.941) 2.741 3.511 ( -3.548 -5.203 -0.108) 6.299 3.531 ( -0.725 -2.103 -0.529) 2.287 3.565 ( 0.101 -1.010 0.916) 1.367 3.616 ( -1.914 -1.217 -2.414) 3.312 3.685 ( 0.506 -5.699 -0.535) 5.747 3.755 ( -0.734 3.125 -4.386) 5.435 3.771 ( -2.581 -4.846 -3.929) 6.751 3.810 ( -2.649 2.798 0.626) 3.904 3.843 ( 6.347 4.637 -2.312) 8.193 3.870 ( 2.175 -1.609 -1.581) 3.134 3.953 ( -1.917 1.320 5.537) 6.006 3.961 ( -2.182 -0.069 -1.288) 2.535 3.983 ( 3.950 3.035 -2.661) 5.647 4.010 ( 1.865 1.004 0.706) 2.232 4.056 ( 0.276 -2.248 1.099) 2.518 4.064 ( 5.343 -0.425 -1.233) 5.500 4.070 ( -3.257 -3.769 0.446) 5.001 4.154 ( -1.244 -0.404 -6.649) 6.776 4.185 ( 1.395 -0.621 3.597) 3.908 4.244 ( 0.334 0.472 -2.648) 2.710 4.297 ( -5.041 3.550 -0.479) 6.184 4.321 ( 2.049 2.466 0.459) 3.239 4.382 ( 1.420 6.605 1.523) 6.925 4.425 ( 2.561 1.052 1.655) 3.225 4.474 ( 0.595 1.107 -1.036) 1.628 4.515 ( 0.624 0.271 -0.000) 0.680 4.536 ( 0.819 -1.851 3.413) 3.968 4.553 ( 1.316 1.878 -0.122) 2.296 4.579 ( 0.426 -0.099 -0.285) 0.522 4.664 ( 3.628 -0.006 2.988) 4.700 4.721 ( -0.558 6.361 -0.905) 6.449 4.745 ( 0.969 2.272 1.960) 3.153 4.771 ( 4.546 0.083 -6.214) 7.700 4.797 ( -1.332 1.076 0.744) 1.867 4.878 ( 0.447 -2.548 -7.386) 7.825 4.940 ( 0.758 -5.431 -2.092) 5.869 4.956 ( 2.297 -2.709 -8.036) 8.786 5.016 ( -0.733 -6.041 -1.652) 6.306 5.078 ( -0.928 -2.378 4.166) 4.886 5.119 ( 2.698 1.653 0.478) 3.200 5.173 ( -3.095 -2.563 0.117) 4.020 5.197 ( 0.898 -1.417 -1.784) 2.449 5.230 ( -1.781 1.480 2.270) 3.243 5.301 ( 0.494 0.581 -2.429) 2.546 5.328 ( 3.861 1.474 -2.972) 5.090 5.352 ( -0.156 2.328 -3.393) 4.118 5.441 ( -0.808 -3.160 -1.917) 3.783 5.500 ( 0.996 -3.563 -2.119) 4.264 5.527 ( 0.126 -1.832 -6.378) 6.637 5.572 ( -0.496 -2.784 0.360) 2.850 5.608 ( -1.874 0.998 1.287) 2.483 5.700 ( -0.478 -2.644 2.530) 3.691 5.794 ( -2.175 -0.814 4.535) 5.095 5.845 ( -1.547 -0.244 -1.431) 2.121 5.878 ( -3.726 5.174 0.396) 6.388 5.941 ( -4.056 -3.834 4.489) 7.163 5.962 ( -1.369 4.883 4.970) 7.100 5.977 ( -1.986 -3.179 4.153) 5.595 6.115 ( 0.184 -3.210 5.021) 5.963 6.144 ( 0.235 -0.094 1.102) 1.131 6.192 ( 2.846 0.591 -0.240) 2.916 6.297 ( -3.451 -6.221 -2.659) 7.595 6.349 ( -1.373 0.028 0.755) 1.567 6.407 ( 1.027 0.499 0.376) 1.202 6.445 ( 4.996 0.733 -0.466) 5.071 6.490 ( -0.527 0.387 -0.329) 0.731 6.563 ( 3.798 -1.105 2.869) 4.886 6.644 ( 2.022 2.646 4.505) 5.602 6.662 ( -1.843 -0.530 1.150) 2.236 6.747 ( 0.643 3.069 2.054) 3.748 6.786 ( -1.387 -2.637 1.906) 3.537 6.826 ( 3.367 2.010 3.725) 5.409 6.849 ( -0.614 1.453 1.928) 2.492 6.916 ( -1.592 -2.782 0.573) 3.256 6.990 ( -0.689 -4.342 0.775) 4.464 7.007 ( 0.854 -0.509 3.919) 4.044 7.089 ( 1.380 3.584 0.633) 3.893 7.121 ( 1.223 -1.337 -1.342) 2.255 7.149 ( 0.268 3.287 1.548) 3.643 7.272 ( -1.364 1.433 0.727) 2.108 7.367 ( -1.389 1.248 0.581) 1.956 7.391 ( 0.132 -0.171 2.266) 2.276 7.477 ( -0.377 5.749 -1.836) 6.047 7.575 ( 0.234 0.357 -0.070) 0.433 7.598 ( 0.018 3.851 -1.489) 4.129 7.705 ( -3.550 3.848 -2.005) 5.606 7.744 ( -0.228 -0.184 1.773) 1.797 7.929 ( -5.775 -8.035 -3.989) 10.669 8.326 ( 0.238 -0.107 1.995) 2.012 8.336 ( 0.898 -0.796 2.574) 2.840 8.532 ( -3.088 -0.258 -2.864) 4.219 8.570 ( -0.633 -1.321 -1.170) 1.875 8.686 ( 0.464 -0.465 -0.766) 1.009 8.726 ( -3.103 0.133 -1.439) 3.423 8.774 ( 3.044 -2.553 -1.952) 4.427 8.865 ( 0.502 -3.108 -1.609) 3.535 9.023 ( -2.057 3.194 -4.355) 5.779 9.090 ( 3.775 1.662 -4.111) 5.824 9.145 ( -0.000 -0.546 -1.702) 1.787 9.184 ( -1.722 -2.376 -3.023) 4.213 9.684 ( -7.569 0.752 8.316) 11.270 9.757 ( -3.236 -1.483 6.663) 7.554 10.078 ( 4.217 1.006 -2.330) 4.922 10.115 ( 4.396 1.835 -3.487) 5.903 10.208 ( -0.906 3.290 3.787) 5.097 10.531 ( -4.839 -7.054 -1.533) 8.691 10.643 ( 3.339 3.565 -10.017) 11.144 10.692 ( 2.879 -0.079 -8.326) 8.810 11.091 ( 0.129 -0.542 -1.842) 1.924 11.098 ( 2.165 -0.304 -2.460) 3.291 11.189 ( 2.851 2.014 -3.520) 4.957 11.221 ( 0.773 0.757 -3.857) 4.006 11.435 ( 5.179 2.116 4.452) 7.150 11.526 ( 7.810 -1.511 1.053) 8.024 11.570 ( -1.983 1.538 0.313) 2.529 11.642 ( -6.756 -0.906 -0.412) 6.829 11.860 ( -0.702 -0.058 0.507) 0.868 11.892 ( 0.302 -1.388 0.524) 1.514 11.963 ( 0.893 2.870 0.805) 3.112 12.095 ( -1.577 -2.226 -1.565) 3.145 12.360 ( -0.017 -1.798 11.564) 11.703 12.429 ( -1.881 -3.022 11.565) 12.101 12.504 ( -0.775 0.279 2.592) 2.720 12.539 ( -0.078 -1.696 0.537) 1.781 12.723 ( 4.179 5.083 -0.088) 6.581 12.889 ( 1.006 -2.158 -0.607) 2.457 12.930 ( 0.069 1.786 -2.402) 2.994 13.023 ( 0.912 -1.840 -0.718) 2.176 14.409 ( 0.559 4.189 -1.184) 4.389 14.472 ( 0.729 -0.225 2.828) 2.929 14.528 ( 0.116 5.429 -2.313) 5.902 14.696 ( -0.650 -1.866 -2.458) 3.154 17.072 ( 1.315 0.291 -0.537) 1.450 17.088 ( -1.664 0.218 0.345) 1.713 17.172 ( 1.706 1.640 0.251) 2.379 17.255 ( 3.730 -1.088 -0.706) 3.949 18.188 ( -1.803 2.447 0.012) 3.040 18.258 ( -1.884 3.156 -1.946) 4.159 18.329 ( 2.378 -1.460 1.753) 3.296 18.380 ( 1.643 -2.038 1.205) 2.882 18.811 ( 0.962 0.702 2.304) 2.593 18.849 ( 0.045 -1.301 -0.190) 1.315 18.995 ( 1.304 -0.279 -0.840) 1.576 19.011 ( -0.219 0.490 -3.245) 3.289 19.039 ( 0.338 1.575 1.326) 2.086 19.072 ( -0.040 0.793 2.166) 2.307 19.107 ( -1.835 0.286 -0.136) 1.862 19.145 ( 0.934 0.662 0.726) 1.356 19.181 ( -0.263 -0.371 0.459) 0.646 19.218 ( 3.576 -0.763 1.167) 3.838 19.325 ( -1.118 1.319 -0.472) 1.792 19.370 ( -1.751 0.870 -1.554) 2.497 19.381 ( -0.838 0.883 -0.179) 1.231 19.496 ( -1.906 -2.244 -4.152) 5.089 19.787 ( -1.943 5.579 -3.156) 6.698 20.014 ( 1.283 -5.774 -2.615) 6.467 20.375 ( -0.411 4.220 5.616) 7.037 20.546 ( 0.942 -2.348 2.352) 3.454 20.966 ( -2.416 -5.148 -0.228) 5.691 20.973 ( -1.658 -4.095 -1.889) 4.805 ======================= Grid point 42 (20/48) ======================= q-point: ( 0.17 0.25 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 13.171 10.311 13.212) 21.315 1.003 ( 3.257 12.634 3.316) 13.462 1.021 ( 6.633 10.438 6.637) 14.036 1.087 ( 1.656 1.637 2.520) 3.431 1.243 ( -1.412 -1.085 14.611) 14.719 1.372 ( 6.522 -0.146 15.312) 16.644 1.434 ( 10.010 -5.969 6.557) 13.372 1.639 ( -1.826 1.894 0.648) 2.709 1.742 ( 2.356 5.270 2.477) 6.282 1.856 ( 9.414 0.108 2.102) 9.647 1.878 ( 2.198 -3.929 0.822) 4.577 1.898 ( 2.930 -0.171 10.824) 11.215 1.947 ( 8.478 6.582 12.305) 16.328 1.985 ( 5.081 -3.525 -5.228) 8.097 1.990 ( -1.482 -1.987 0.184) 2.486 2.167 ( 5.481 -2.370 -0.822) 6.027 2.209 ( -1.122 5.779 1.224) 6.013 2.244 ( 2.229 -0.388 0.698) 2.368 2.281 ( 3.877 0.524 0.966) 4.030 2.343 ( -5.218 -1.375 1.331) 5.557 2.448 ( -3.111 -0.830 -0.726) 3.301 2.496 ( -1.837 0.800 1.394) 2.441 2.542 ( -2.006 -1.117 4.941) 5.448 2.614 ( -0.163 2.940 2.367) 3.778 2.672 ( -2.511 2.702 -1.094) 3.848 2.685 ( 5.650 -3.191 2.953) 7.129 2.735 ( -4.701 2.072 -8.725) 10.125 2.760 ( 0.415 0.194 2.458) 2.501 2.806 ( 0.396 -2.065 -1.359) 2.504 2.854 ( 1.449 -2.177 -4.290) 5.024 2.906 ( 2.970 -2.912 1.377) 4.381 2.946 ( -0.355 2.288 4.490) 5.052 2.986 ( -0.185 1.176 -1.819) 2.174 3.045 ( -0.094 -1.699 -1.334) 2.162 3.117 ( -2.759 5.196 0.530) 5.907 3.134 ( -2.885 -0.820 -4.517) 5.422 3.169 ( -1.804 1.716 -1.771) 3.055 3.212 ( -4.918 1.789 -6.762) 8.550 3.236 ( -4.749 -2.325 1.252) 5.434 3.282 ( 1.997 -0.203 -0.968) 2.228 3.305 ( -5.370 -0.657 -2.207) 5.843 3.376 ( -2.244 -2.626 -1.137) 3.637 3.403 ( 0.126 1.487 -1.922) 2.433 3.449 ( -0.052 1.572 2.825) 3.233 3.485 ( -2.982 -4.516 2.127) 5.814 3.522 ( 0.894 -3.654 1.256) 3.966 3.535 ( -1.769 2.172 1.152) 3.029 3.583 ( -2.685 -1.357 -1.323) 3.286 3.614 ( -2.042 -1.408 -2.064) 3.227 3.725 ( -4.343 -1.821 -1.084) 4.833 3.748 ( -1.392 -0.817 -2.000) 2.570 3.762 ( -3.284 -0.299 0.713) 3.374 3.848 ( -1.732 -2.165 -4.468) 5.258 3.867 ( 0.126 -0.342 1.516) 1.559 3.884 ( -2.892 -0.013 -0.634) 2.960 3.943 ( -1.711 -1.067 -3.799) 4.301 4.003 ( -1.698 2.198 -0.568) 2.835 4.021 ( 0.142 3.231 5.787) 6.629 4.041 ( -1.636 0.407 -6.795) 7.001 4.081 ( -0.629 4.174 0.599) 4.263 4.103 ( 0.201 3.257 0.250) 3.272 4.164 ( 5.503 -1.420 -0.287) 5.691 4.234 ( 4.368 -1.123 1.994) 4.931 4.274 ( 4.864 0.562 -2.077) 5.319 4.312 ( -1.643 3.686 2.108) 4.553 4.358 ( 6.006 0.361 -0.786) 6.068 4.396 ( 0.903 -0.123 -0.847) 1.244 4.460 ( -4.086 -1.660 4.162) 6.064 4.487 ( 4.141 -0.429 -3.504) 5.441 4.540 ( 2.184 -2.105 0.074) 3.034 4.574 ( 1.670 3.871 -0.094) 4.217 4.583 ( 0.927 -2.400 -1.092) 2.795 4.607 ( 3.902 -1.556 -0.398) 4.220 4.649 ( -2.800 -3.230 0.580) 4.314 4.748 ( -0.323 -0.452 0.319) 0.640 4.755 ( 1.440 -0.113 -6.189) 6.355 4.794 ( 2.828 5.720 2.107) 6.720 4.848 ( 2.619 -3.833 -4.824) 6.695 4.901 ( 7.828 -0.042 -2.151) 8.119 4.943 ( -0.041 -4.010 -5.206) 6.571 4.963 ( -0.008 -1.995 -1.705) 2.624 5.027 ( 2.300 -2.663 1.379) 3.780 5.092 ( 2.346 1.739 -0.363) 2.943 5.135 ( 1.835 -2.885 0.725) 3.495 5.199 ( 0.236 -1.529 3.173) 3.530 5.220 ( 2.041 0.129 2.488) 3.221 5.221 ( 4.063 4.115 -8.640) 10.397 5.297 ( 2.297 -1.650 -0.286) 2.842 5.351 ( 1.382 2.111 -2.290) 3.407 5.398 ( 1.853 -2.556 -4.114) 5.185 5.425 ( 1.587 1.803 -3.689) 4.402 5.472 ( 0.960 -1.385 -7.707) 7.889 5.525 ( 1.761 0.636 -1.483) 2.388 5.571 ( -0.589 0.731 4.411) 4.510 5.627 ( 0.519 1.226 -1.313) 1.870 5.684 ( -1.567 3.697 -0.431) 4.039 5.726 ( -1.947 1.888 4.310) 5.093 5.791 ( -1.900 2.706 2.163) 3.951 5.810 ( -3.518 0.914 0.712) 3.704 5.882 ( -3.744 1.858 -0.769) 4.250 5.971 ( -1.462 4.222 4.665) 6.459 6.039 ( -0.735 -4.748 0.852) 4.880 6.105 ( -5.011 -0.632 5.352) 7.359 6.140 ( -0.464 -3.952 3.375) 5.217 6.180 ( -0.659 -4.539 2.228) 5.099 6.283 ( 1.800 -5.884 0.744) 6.198 6.354 ( -2.286 1.463 0.916) 2.865 6.359 ( -2.918 0.583 -0.175) 2.981 6.429 ( -2.290 -3.118 -1.236) 4.061 6.534 ( -7.719 -0.214 4.504) 8.939 6.563 ( 1.419 -0.234 -1.294) 1.935 6.637 ( -0.811 -0.516 -1.004) 1.390 6.668 ( -3.996 3.925 1.988) 5.944 6.721 ( 0.145 1.237 -0.494) 1.340 6.731 ( -4.437 -1.319 0.083) 4.630 6.819 ( -3.321 -0.394 1.283) 3.582 6.897 ( -0.639 -0.543 7.290) 7.338 6.919 ( -1.176 -2.711 1.421) 3.279 6.971 ( -1.769 -2.354 0.167) 2.949 7.033 ( -1.613 -2.553 4.151) 5.133 7.082 ( -2.122 0.698 -2.800) 3.582 7.103 ( -1.460 2.262 1.171) 2.936 7.181 ( -7.113 0.771 -0.041) 7.155 7.214 ( 2.890 4.233 1.401) 5.313 7.348 ( -0.942 0.054 -0.058) 0.945 7.420 ( -0.367 2.767 0.413) 2.821 7.461 ( 2.169 1.413 0.696) 2.680 7.544 ( -2.386 -0.036 0.322) 2.408 7.607 ( 1.122 5.667 -0.539) 5.802 7.656 ( 1.903 4.332 -3.421) 5.839 7.725 ( -2.998 -1.586 1.990) 3.933 7.803 ( -4.870 0.189 -0.557) 4.905 8.329 ( -1.393 -0.327 2.974) 3.300 8.342 ( -2.056 -0.911 4.374) 4.918 8.470 ( -1.512 1.105 -3.159) 3.672 8.531 ( -2.894 -0.812 -4.749) 5.620 8.644 ( -2.821 1.393 -0.381) 3.169 8.713 ( 2.208 -0.091 -0.032) 2.210 8.759 ( -1.431 1.252 -1.350) 2.332 8.910 ( 3.917 -5.633 -1.177) 6.961 8.979 ( 1.055 0.545 -1.650) 2.033 9.116 ( -0.620 -2.575 -1.385) 2.989 9.193 ( 5.090 -0.312 -0.188) 5.103 9.213 ( 8.305 -2.365 -2.181) 8.906 9.626 ( -2.370 2.755 5.651) 6.719 9.744 ( -1.407 -2.100 4.559) 5.213 10.071 ( -4.059 5.470 -2.111) 7.131 10.186 ( 5.192 2.292 -1.527) 5.878 10.293 ( 5.543 -2.267 3.273) 6.824 10.447 ( -3.719 -8.124 -1.970) 9.150 10.643 ( 1.995 2.579 -6.928) 7.657 10.686 ( 1.503 1.072 -5.426) 5.731 11.072 ( -0.387 0.503 -1.680) 1.796 11.123 ( 1.396 -1.863 -2.624) 3.508 11.197 ( -0.556 1.669 -2.198) 2.815 11.207 ( 0.051 1.525 -4.098) 4.372 11.480 ( -2.714 2.088 -2.127) 4.031 11.547 ( 0.252 -0.453 -0.507) 0.724 11.569 ( 4.428 2.372 4.511) 6.752 11.672 ( 2.697 -1.057 -0.567) 2.952 11.905 ( 5.655 -0.634 -0.173) 5.693 11.965 ( 3.865 -0.196 -1.172) 4.043 12.041 ( 6.618 -0.740 2.250) 7.029 12.091 ( 1.195 -1.017 -2.475) 2.931 12.419 ( 0.169 -2.082 8.697) 8.945 12.459 ( -0.749 -2.450 6.214) 6.721 12.502 ( -1.119 -0.320 3.258) 3.460 12.540 ( 0.283 -2.620 0.363) 2.660 12.785 ( 1.037 1.345 0.320) 1.728 12.869 ( -2.993 -1.400 -0.588) 3.356 12.897 ( -1.661 2.213 -2.664) 3.842 13.012 ( -1.248 -2.007 -0.775) 2.487 14.364 ( -3.724 3.204 1.172) 5.050 14.482 ( -1.584 -1.229 3.146) 3.731 14.523 ( 0.643 5.863 -2.930) 6.586 14.650 ( -2.193 -1.006 -2.986) 3.839 17.053 ( -0.179 0.806 -0.735) 1.105 17.084 ( -1.456 -1.032 1.038) 2.065 17.262 ( 6.666 -0.361 -2.971) 7.307 17.389 ( 9.794 -5.832 -2.229) 11.615 18.158 ( -1.381 2.909 -0.108) 3.222 18.212 ( -2.381 2.072 0.239) 3.166 18.367 ( 1.047 0.385 0.536) 1.237 18.409 ( 0.990 -1.919 0.059) 2.160 18.836 ( 0.240 0.463 1.879) 1.950 18.873 ( 2.308 -1.397 -0.311) 2.716 18.975 ( -1.257 1.955 -2.858) 3.684 19.004 ( -2.062 1.267 0.919) 2.589 19.021 ( 0.679 -0.231 -0.951) 1.191 19.101 ( 0.444 -0.880 1.880) 2.122 19.105 ( 1.359 2.460 0.899) 2.951 19.172 ( 1.943 3.151 1.431) 3.968 19.210 ( 2.301 -2.175 -0.582) 3.220 19.278 ( 0.303 -1.044 0.585) 1.234 19.323 ( -0.283 3.036 0.209) 3.057 19.363 ( 6.156 -0.062 0.233) 6.161 19.436 ( 5.143 -0.789 0.177) 5.206 19.485 ( 3.274 -3.153 -5.571) 7.190 19.739 ( -1.405 7.017 -1.835) 7.388 20.024 ( 1.822 -5.906 -3.487) 7.097 20.366 ( -4.527 3.131 4.971) 7.417 20.500 ( -7.420 -2.177 2.190) 8.037 20.738 ( -17.077 1.606 5.143) 17.907 20.908 ( -5.062 -4.715 -1.532) 7.086 ======================= Grid point 43 (21/48) ======================= q-point: ( 0.33 0.25 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -2.302 9.259 -0.661) 9.563 1.106 ( 2.414 4.588 0.862) 5.256 1.131 ( 4.739 6.228 0.930) 7.881 1.269 ( 13.319 4.348 8.664) 16.473 1.314 ( 2.714 0.857 12.292) 12.617 1.519 ( 0.994 -0.042 0.471) 1.101 1.611 ( 2.799 0.139 3.244) 4.287 1.656 ( 4.428 0.949 7.196) 8.503 1.804 ( 3.595 0.852 0.131) 3.697 1.842 ( -2.030 -4.892 4.270) 6.803 1.890 ( -1.977 1.194 -0.127) 2.313 1.971 ( -5.023 -0.672 0.172) 5.070 2.032 ( 7.513 0.409 -2.710) 7.997 2.076 ( 2.677 0.926 -0.491) 2.875 2.124 ( 5.763 -1.453 4.184) 7.269 2.186 ( 2.100 -5.137 -0.355) 5.561 2.249 ( -1.073 -0.173 -0.459) 1.180 2.318 ( 3.839 3.831 2.415) 5.937 2.339 ( 1.110 4.934 10.269) 11.447 2.416 ( 2.228 2.246 -0.955) 3.304 2.449 ( 1.425 1.929 2.121) 3.202 2.497 ( 2.223 -4.623 0.259) 5.137 2.511 ( -3.152 -0.988 2.166) 3.950 2.567 ( -1.469 0.164 2.383) 2.804 2.620 ( -0.140 3.079 -1.266) 3.332 2.681 ( -0.209 3.042 -1.184) 3.271 2.717 ( 0.123 -2.851 5.902) 6.555 2.783 ( -3.632 -2.504 -0.293) 4.421 2.816 ( 3.036 -1.896 -0.760) 3.659 2.875 ( 4.237 3.353 1.968) 5.750 2.913 ( 1.442 -4.418 -3.015) 5.540 2.967 ( -2.317 -1.483 -0.506) 2.797 2.982 ( -4.225 2.094 0.444) 4.736 3.013 ( -0.790 -1.531 -3.509) 3.909 3.091 ( -1.783 3.129 -1.680) 3.974 3.104 ( -0.863 1.443 1.294) 2.122 3.125 ( 2.191 4.228 1.854) 5.110 3.176 ( 2.996 -1.263 1.207) 3.469 3.207 ( -0.498 -0.574 -0.726) 1.051 3.236 ( 1.699 1.519 4.025) 4.626 3.290 ( -5.791 -1.889 0.596) 6.120 3.342 ( -1.363 -1.022 -0.776) 1.872 3.355 ( 1.177 2.031 2.607) 3.508 3.428 ( -4.440 -0.316 -1.685) 4.760 3.483 ( -1.344 6.648 4.986) 8.418 3.512 ( -3.592 -3.941 5.722) 7.822 3.535 ( -4.309 -6.422 1.110) 7.813 3.574 ( 2.429 -1.412 -0.581) 2.869 3.605 ( 1.375 -2.804 -1.111) 3.315 3.632 ( 1.483 4.447 -0.812) 4.758 3.688 ( -3.636 0.954 0.909) 3.868 3.745 ( 2.527 -0.292 -2.599) 3.637 3.805 ( -0.219 5.530 -3.753) 6.687 3.847 ( -2.690 -2.268 -4.213) 5.489 3.850 ( -2.217 0.332 0.057) 2.242 3.921 ( -3.598 0.904 -2.710) 4.594 3.950 ( 4.387 -2.793 -3.699) 6.382 4.000 ( 0.623 4.552 -2.496) 5.228 4.066 ( -0.373 2.186 5.896) 6.300 4.079 ( -0.430 2.925 -0.713) 3.041 4.110 ( 0.696 2.729 2.932) 4.065 4.225 ( 0.972 1.885 -4.263) 4.762 4.248 ( -2.570 -0.758 -2.580) 3.720 4.315 ( 5.048 -5.361 1.123) 7.448 4.332 ( -3.928 -2.417 3.662) 5.889 4.353 ( -2.628 -5.163 -3.422) 6.729 4.381 ( -2.278 -1.072 1.552) 2.957 4.434 ( -2.025 -1.382 2.607) 3.579 4.490 ( -1.897 -3.583 1.193) 4.226 4.562 ( 3.093 -0.720 -1.748) 3.625 4.606 ( -0.146 2.398 -3.043) 3.877 4.624 ( 0.937 -5.296 -4.131) 6.782 4.655 ( 2.521 -0.815 1.250) 2.930 4.703 ( -0.987 -0.650 -1.996) 2.319 4.722 ( 7.464 -1.923 -1.767) 7.907 4.742 ( 0.561 -6.782 5.458) 8.724 4.847 ( -0.313 -1.537 -5.520) 5.739 4.868 ( 2.403 -0.307 -3.474) 4.235 4.888 ( 1.709 5.597 -1.648) 6.080 4.994 ( 4.039 0.507 1.184) 4.239 5.030 ( 7.057 -4.000 -5.385) 9.737 5.094 ( 1.022 0.586 7.550) 7.641 5.126 ( 3.307 1.449 -2.999) 4.693 5.187 ( 1.820 0.174 -9.994) 10.160 5.200 ( 4.893 -0.864 -6.131) 7.891 5.249 ( 3.776 4.561 -0.390) 5.933 5.287 ( 4.257 0.600 -4.285) 6.070 5.325 ( 1.499 1.622 -5.365) 5.802 5.368 ( -0.742 -2.072 -2.578) 3.390 5.411 ( 1.449 -1.740 1.499) 2.715 5.448 ( 4.884 -0.200 -2.283) 5.395 5.483 ( 2.376 -2.602 -3.046) 4.657 5.536 ( 0.669 -0.760 -5.383) 5.478 5.573 ( -0.516 0.619 -0.444) 0.920 5.602 ( 0.517 5.043 1.858) 5.399 5.690 ( -1.192 0.633 -3.685) 3.925 5.733 ( -1.559 -0.331 2.620) 3.067 5.764 ( 0.378 2.412 2.573) 3.548 5.811 ( 1.422 2.466 4.758) 5.545 5.838 ( -1.765 5.918 0.840) 6.233 5.924 ( -3.452 6.534 3.270) 8.081 6.001 ( -3.508 2.719 6.226) 7.646 6.102 ( -0.899 -2.102 3.534) 4.209 6.144 ( -2.739 -0.036 0.938) 2.895 6.156 ( -5.964 -1.069 1.204) 6.177 6.212 ( -1.890 -1.811 -0.117) 2.620 6.275 ( -4.662 -0.607 1.333) 4.886 6.336 ( -3.302 -0.515 1.370) 3.612 6.398 ( -4.247 -1.642 0.350) 4.567 6.461 ( -8.459 2.551 2.699) 9.238 6.495 ( -3.092 -4.296 -0.097) 5.294 6.569 ( 0.180 -5.878 -0.646) 5.916 6.622 ( -2.237 -0.614 1.586) 2.810 6.693 ( -2.085 -0.346 0.534) 2.180 6.701 ( -3.871 -2.129 -0.252) 4.425 6.766 ( -0.382 0.593 0.074) 0.710 6.853 ( -3.834 -1.039 0.349) 3.987 6.867 ( -5.798 2.212 2.928) 6.862 6.946 ( -3.469 -4.581 2.231) 6.164 6.959 ( -3.280 -0.876 1.745) 3.817 7.057 ( -0.027 0.559 -1.726) 1.815 7.072 ( -1.914 0.461 1.111) 2.261 7.106 ( -1.693 1.585 -1.418) 2.719 7.244 ( 0.254 -2.737 -0.845) 2.876 7.380 ( 3.577 0.980 1.192) 3.896 7.415 ( 0.241 4.779 0.500) 4.811 7.503 ( 1.438 1.047 -0.244) 1.796 7.523 ( -1.407 -0.824 2.017) 2.593 7.621 ( 0.679 2.953 -1.841) 3.546 7.677 ( -2.501 2.716 0.877) 3.795 7.701 ( 1.643 4.271 0.151) 4.579 7.759 ( -0.317 -1.530 1.978) 2.520 8.317 ( -1.474 -0.493 3.003) 3.382 8.334 ( -1.719 -0.838 5.319) 5.652 8.448 ( 0.208 2.253 -2.007) 3.025 8.461 ( -1.013 1.196 -1.578) 2.224 8.608 ( -1.083 1.952 -0.096) 2.234 8.749 ( 0.345 2.667 -0.186) 2.696 8.798 ( 5.171 -1.219 0.585) 5.345 8.953 ( 2.054 -4.791 -0.989) 5.306 9.030 ( 4.178 -4.662 0.319) 6.268 9.123 ( 1.587 -5.117 -0.306) 5.366 9.274 ( 3.511 1.743 0.329) 3.934 9.342 ( 6.231 -1.819 -3.113) 7.199 9.643 ( 0.188 2.311 5.122) 5.622 9.758 ( 0.112 -2.185 3.443) 4.079 10.000 ( -2.094 4.733 -1.205) 5.314 10.208 ( -0.700 0.695 -4.409) 4.518 10.330 ( -2.736 -2.322 -0.013) 3.588 10.379 ( -1.964 -8.281 -1.927) 8.726 10.625 ( 0.373 2.226 -6.912) 7.271 10.659 ( -1.315 1.783 -5.963) 6.361 11.070 ( 0.674 0.892 -1.904) 2.208 11.122 ( 0.615 -1.326 -2.938) 3.282 11.159 ( -1.129 1.406 -2.464) 3.053 11.196 ( 1.033 -0.195 -3.040) 3.216 11.529 ( 7.008 2.538 1.495) 7.601 11.611 ( 1.131 1.293 1.354) 2.188 11.647 ( 6.364 -0.519 1.026) 6.467 11.696 ( 1.688 -0.022 2.841) 3.305 11.946 ( 0.493 2.037 -0.585) 2.176 12.036 ( -0.903 -1.829 -1.146) 2.339 12.120 ( 7.083 1.217 3.773) 8.117 12.161 ( 3.517 0.787 5.393) 6.486 12.450 ( -0.819 -0.464 3.430) 3.557 12.491 ( 1.200 0.030 4.386) 4.547 12.499 ( -0.246 -0.903 3.394) 3.521 12.557 ( 1.153 -3.044 -0.309) 3.270 12.723 ( -7.718 0.361 -1.561) 7.883 12.780 ( -5.550 -1.449 -2.063) 6.095 12.862 ( -0.452 2.901 -3.441) 4.523 12.982 ( -1.329 -1.871 -1.820) 2.929 14.323 ( -1.930 1.671 1.241) 2.838 14.458 ( -2.373 -2.384 2.019) 3.924 14.507 ( -0.241 5.254 -3.470) 6.301 14.602 ( -1.147 -0.207 -2.769) 3.004 17.064 ( 1.321 -0.107 0.909) 1.607 17.073 ( -0.337 -0.604 1.437) 1.595 17.344 ( 4.366 -0.398 -3.873) 5.850 17.499 ( 4.396 -7.237 -3.592) 9.198 18.145 ( -0.277 2.203 0.647) 2.313 18.183 ( -1.368 1.933 2.025) 3.116 18.378 ( 0.393 0.935 -0.656) 1.208 18.409 ( -0.485 0.372 -1.595) 1.708 18.840 ( -0.629 0.875 0.479) 1.179 18.897 ( 0.695 -1.804 -1.286) 2.322 18.945 ( -0.345 2.648 -2.645) 3.759 18.976 ( -1.071 2.837 0.993) 3.191 19.037 ( 0.812 -1.959 -0.211) 2.131 19.100 ( -0.216 1.674 0.646) 1.807 19.154 ( 2.613 1.394 -1.304) 3.235 19.202 ( 0.455 0.111 0.240) 0.526 19.235 ( 1.120 -1.659 -0.818) 2.163 19.296 ( 1.149 0.910 0.477) 1.541 19.334 ( 1.167 2.764 4.290) 5.235 19.473 ( 0.732 0.058 -2.144) 2.266 19.494 ( 4.473 1.745 2.257) 5.305 19.586 ( 10.065 -3.837 -2.386) 11.032 19.756 ( 4.262 3.632 1.213) 5.729 20.032 ( 0.835 -5.850 -4.610) 7.494 20.261 ( -8.911 0.761 2.171) 9.203 20.349 ( -9.281 -2.301 2.902) 9.993 20.536 ( -9.483 4.829 5.911) 12.173 20.803 ( -5.457 -5.391 -1.218) 7.767 ======================= Grid point 44 (22/48) ======================= q-point: (-0.50 0.25 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -7.161 6.081 -2.848) 9.817 1.132 ( -0.412 7.300 0.581) 7.334 1.190 ( 1.370 3.009 0.757) 3.392 1.349 ( -2.726 -2.379 2.214) 4.242 1.428 ( -5.132 3.858 4.895) 8.073 1.505 ( -2.394 0.917 0.026) 2.564 1.648 ( -2.837 3.357 2.432) 5.023 1.729 ( -1.764 3.250 16.677) 17.082 1.789 ( 0.466 -1.417 -3.252) 3.578 1.833 ( -2.958 2.024 4.954) 6.115 1.879 ( 1.988 -0.930 1.234) 2.519 1.980 ( 4.435 0.151 -4.444) 6.280 2.076 ( -0.448 2.847 -1.063) 3.071 2.099 ( -4.807 0.189 0.203) 4.815 2.116 ( 1.411 2.305 -6.999) 7.503 2.199 ( -5.115 1.235 3.006) 6.060 2.287 ( 0.580 -6.654 2.965) 7.308 2.328 ( -4.073 3.364 6.325) 8.241 2.356 ( 2.024 -0.097 1.437) 2.484 2.367 ( -3.895 1.631 -0.757) 4.290 2.439 ( -4.183 -3.829 4.073) 6.982 2.505 ( 0.681 -3.997 -0.347) 4.069 2.554 ( -0.487 -3.210 2.191) 3.917 2.578 ( 4.501 -2.958 1.342) 5.551 2.636 ( 4.587 3.943 1.317) 6.190 2.736 ( 0.848 -1.652 -0.568) 1.942 2.770 ( 0.502 -2.118 -0.614) 2.261 2.783 ( 2.442 1.055 -1.551) 3.079 2.837 ( -4.243 -4.814 0.308) 6.424 2.876 ( 3.004 0.222 -1.011) 3.178 2.914 ( -0.517 4.789 1.608) 5.079 2.930 ( -0.432 3.584 0.654) 3.669 2.963 ( 0.651 4.086 -0.849) 4.223 2.989 ( -1.712 -0.783 1.644) 2.499 3.050 ( 0.335 1.390 -1.192) 1.861 3.117 ( -2.378 0.575 0.508) 2.499 3.136 ( -2.485 6.249 3.177) 7.437 3.162 ( -5.096 -1.290 0.878) 5.329 3.225 ( 2.449 -2.472 1.847) 3.940 3.284 ( 1.450 1.465 5.188) 5.582 3.309 ( 4.541 -2.258 5.746) 7.664 3.315 ( -2.179 0.349 2.206) 3.120 3.361 ( 4.515 1.044 2.560) 5.294 3.441 ( 1.857 1.427 3.818) 4.479 3.446 ( 1.608 -2.610 1.953) 3.635 3.493 ( -4.686 -4.962 -0.290) 6.832 3.524 ( 1.173 3.686 3.414) 5.159 3.593 ( -0.701 0.993 -0.072) 1.217 3.631 ( -0.659 -1.371 -0.281) 1.546 3.666 ( 5.816 -3.049 -3.434) 7.410 3.691 ( 3.548 4.480 -3.624) 6.766 3.750 ( -0.127 1.790 5.131) 5.435 3.772 ( -4.004 -5.393 -1.200) 6.823 3.832 ( -0.141 -0.358 -1.991) 2.028 3.842 ( 1.045 6.032 2.201) 6.506 3.946 ( 4.442 -1.968 -0.549) 4.890 3.982 ( 2.758 4.103 -2.797) 5.680 4.007 ( 0.782 3.075 -2.384) 3.969 4.021 ( -1.419 1.546 -4.266) 4.754 4.066 ( -2.386 1.428 2.514) 3.749 4.131 ( -2.262 -3.917 -5.307) 6.973 4.188 ( 1.679 0.925 4.134) 4.557 4.239 ( -0.770 -3.991 -0.690) 4.123 4.244 ( 2.593 0.093 -2.156) 3.374 4.304 ( -2.634 -0.454 -2.553) 3.697 4.342 ( -4.674 -4.348 -2.607) 6.895 4.402 ( 2.167 3.515 0.967) 4.241 4.426 ( 2.533 -0.589 2.664) 3.722 4.488 ( -0.478 -1.073 -2.294) 2.578 4.548 ( -2.734 -0.228 0.790) 2.855 4.573 ( -1.509 -1.819 -2.669) 3.565 4.599 ( -2.151 -2.809 2.384) 4.266 4.641 ( -1.924 -3.793 -2.221) 4.798 4.681 ( 1.190 -4.912 2.605) 5.686 4.782 ( -1.020 -5.303 0.644) 5.439 4.808 ( 1.548 -3.548 1.462) 4.138 4.851 ( 1.424 4.510 -1.295) 4.904 4.874 ( -1.582 3.820 1.952) 4.572 4.977 ( 6.939 -0.948 -0.648) 7.033 5.033 ( -0.677 -3.155 -2.300) 3.963 5.062 ( -1.256 -6.675 -6.250) 9.230 5.107 ( -0.396 0.356 -13.496) 13.506 5.140 ( 6.183 2.028 -1.668) 6.718 5.213 ( -2.194 -2.240 -7.307) 7.951 5.238 ( 2.892 2.934 -5.890) 7.188 5.263 ( -3.600 1.667 -0.693) 4.027 5.292 ( 1.857 3.647 -3.292) 5.252 5.332 ( 4.146 0.861 -2.790) 5.071 5.377 ( 1.434 -0.829 0.011) 1.656 5.413 ( 5.349 0.583 -0.991) 5.471 5.485 ( -1.445 -3.592 -0.186) 3.876 5.515 ( 0.367 2.833 -5.015) 5.772 5.550 ( 1.898 -2.140 -1.625) 3.290 5.585 ( -0.554 0.884 -1.212) 1.599 5.599 ( 2.665 -0.127 1.405) 3.015 5.653 ( 1.073 -2.312 -4.561) 5.225 5.732 ( -1.291 7.591 3.290) 8.374 5.801 ( 1.407 4.448 0.846) 4.741 5.823 ( 0.178 1.349 4.280) 4.491 5.869 ( 1.476 1.536 2.103) 2.993 5.904 ( -3.012 5.297 2.788) 6.701 5.942 ( -4.766 4.835 3.934) 7.846 6.054 ( -1.617 -0.630 2.428) 2.985 6.120 ( -5.393 -3.543 4.254) 7.729 6.128 ( 2.145 4.093 0.466) 4.645 6.192 ( 0.410 -2.248 -1.998) 3.035 6.224 ( -1.151 -0.320 4.557) 4.711 6.280 ( -2.471 1.850 -1.138) 3.290 6.300 ( -0.087 0.466 1.404) 1.482 6.414 ( -1.233 -1.604 1.899) 2.775 6.475 ( 1.637 -1.990 0.447) 2.615 6.575 ( -0.136 -6.764 0.793) 6.812 6.604 ( -3.881 -2.173 0.390) 4.465 6.633 ( 0.774 -2.121 2.806) 3.602 6.687 ( 0.198 -0.499 -1.906) 1.980 6.762 ( -1.617 -1.145 0.692) 2.098 6.801 ( -2.270 1.439 1.465) 3.061 6.830 ( 1.207 2.062 -0.854) 2.537 6.904 ( -0.486 -2.506 2.801) 3.790 6.953 ( -1.779 -1.066 2.628) 3.348 7.017 ( -0.906 1.187 -0.549) 1.591 7.076 ( 2.236 -2.112 0.859) 3.193 7.116 ( 3.246 0.043 -4.112) 5.239 7.234 ( -0.739 -4.678 -2.332) 5.279 7.406 ( -0.781 1.568 0.839) 1.942 7.441 ( 0.280 3.069 1.879) 3.609 7.504 ( -0.400 -0.756 2.099) 2.267 7.541 ( 1.720 2.917 0.727) 3.463 7.617 ( -0.462 1.799 -1.243) 2.235 7.638 ( -0.223 3.404 -2.379) 4.159 7.705 ( -1.458 2.453 2.767) 3.975 7.780 ( 0.385 -0.904 1.510) 1.802 8.309 ( -1.534 0.378 2.669) 3.102 8.339 ( -1.166 -1.351 6.007) 6.267 8.451 ( 1.524 2.485 -1.060) 3.102 8.497 ( 3.522 0.574 2.880) 4.585 8.610 ( 0.982 2.210 1.023) 2.626 8.737 ( -0.989 3.181 -1.581) 3.687 8.859 ( 0.278 -3.190 1.195) 3.417 8.983 ( 1.017 -6.062 -0.352) 6.157 9.064 ( -0.259 -3.394 0.165) 3.408 9.161 ( 1.374 -4.332 1.799) 4.888 9.300 ( -0.861 2.769 -0.637) 2.969 9.377 ( -0.162 0.117 -4.419) 4.424 9.666 ( -1.191 1.559 5.445) 5.788 9.769 ( -1.194 -1.946 3.684) 4.334 9.991 ( 1.469 4.228 -0.974) 4.580 10.168 ( 0.328 -0.385 -6.151) 6.172 10.253 ( -3.239 -0.675 -2.265) 4.009 10.367 ( 1.628 -7.911 -1.449) 8.206 10.592 ( 0.593 1.894 -6.690) 6.978 10.607 ( 0.954 0.930 -9.504) 9.597 11.063 ( -0.073 0.688 -2.293) 2.395 11.107 ( -0.067 -0.687 -3.314) 3.386 11.144 ( 0.434 1.159 -2.090) 2.429 11.206 ( 1.754 -1.034 -2.726) 3.402 11.590 ( -0.668 2.022 0.881) 2.304 11.618 ( -1.947 2.199 1.095) 3.135 11.725 ( 1.825 0.014 3.018) 3.527 11.767 ( -0.791 -1.217 3.456) 3.748 11.992 ( 4.499 2.143 4.080) 6.441 12.074 ( 7.462 -0.784 4.854) 8.936 12.224 ( 0.260 1.867 9.140) 9.333 12.253 ( 1.011 -0.484 7.593) 7.675 12.440 ( -3.483 -0.900 2.766) 4.538 12.476 ( -6.059 -0.515 -0.269) 6.087 12.504 ( -5.082 0.573 -0.510) 5.139 12.552 ( -0.567 -2.231 -1.506) 2.751 12.621 ( 2.518 0.647 -0.848) 2.734 12.688 ( -0.009 -1.248 -4.634) 4.799 12.837 ( 0.244 2.714 -4.753) 5.479 12.943 ( -1.079 -1.599 -4.002) 4.442 14.300 ( -1.232 1.897 0.733) 2.378 14.432 ( -1.450 -2.278 1.001) 2.880 14.487 ( 0.561 4.553 -4.239) 6.246 14.589 ( 1.445 -0.752 -2.457) 2.948 17.082 ( 0.086 -0.119 2.260) 2.265 17.106 ( 1.535 -0.986 3.537) 3.980 17.361 ( 0.183 -0.410 -4.718) 4.739 17.514 ( 0.186 -7.233 -5.122) 8.865 18.149 ( 0.265 2.107 1.301) 2.490 18.193 ( 0.497 0.847 3.613) 3.744 18.366 ( -0.782 1.817 -3.904) 4.377 18.386 ( -0.623 1.110 -0.952) 1.590 18.822 ( -1.206 1.349 -0.286) 1.832 18.895 ( 0.151 -1.351 -1.333) 1.904 18.930 ( 0.241 1.406 -2.451) 2.836 18.975 ( 0.279 3.003 0.778) 3.114 19.042 ( 0.202 -2.166 -1.531) 2.661 19.100 ( 0.043 2.792 -0.411) 2.822 19.156 ( -1.341 -0.580 -0.752) 1.643 19.215 ( 0.705 0.178 -0.880) 1.141 19.227 ( -1.058 0.079 -1.298) 1.676 19.299 ( -0.465 -0.847 -0.806) 1.258 19.398 ( -0.017 3.081 6.899) 7.556 19.458 ( 0.663 5.481 0.754) 5.572 19.563 ( 1.022 1.251 3.460) 3.819 19.766 ( 9.967 -5.180 0.406) 11.240 19.826 ( -1.732 -2.411 0.640) 3.037 19.992 ( -0.373 -5.943 -5.554) 8.143 20.143 ( -2.636 3.292 2.670) 4.992 20.276 ( -1.232 -2.452 4.050) 4.893 20.441 ( -4.508 6.008 3.124) 8.135 20.732 ( -0.252 -5.184 -2.837) 5.915 ======================= Grid point 45 (23/48) ======================= q-point: (-0.33 0.25 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -7.918 6.088 1.183) 10.057 1.064 ( -6.770 -2.859 -0.146) 7.350 1.163 ( -11.987 17.330 1.485) 21.124 1.230 ( -7.947 1.854 3.731) 8.972 1.319 ( -3.439 2.358 1.428) 4.408 1.413 ( -8.060 3.446 8.002) 11.869 1.591 ( -11.214 -2.850 9.198) 14.781 1.667 ( -8.497 2.823 7.105) 11.430 1.763 ( -5.099 1.516 0.293) 5.328 1.790 ( -4.732 2.989 -0.211) 5.602 1.879 ( -7.998 4.952 -0.541) 9.422 1.949 ( -10.139 -7.251 0.940) 12.501 1.972 ( -2.332 4.012 -3.602) 5.874 2.092 ( -1.663 0.548 2.808) 3.309 2.123 ( 1.970 2.575 2.032) 3.826 2.147 ( 2.659 1.857 0.117) 3.245 2.236 ( -2.157 1.934 -2.294) 3.695 2.290 ( -0.849 1.565 0.340) 1.813 2.327 ( -4.781 -7.001 0.293) 8.483 2.356 ( -1.467 -0.013 3.409) 3.712 2.429 ( 1.124 -5.430 0.578) 5.575 2.504 ( -3.708 -2.726 -3.043) 5.517 2.550 ( 1.792 -1.069 3.601) 4.162 2.634 ( 0.678 4.749 2.808) 5.559 2.660 ( -4.525 -2.246 5.211) 7.258 2.707 ( 1.448 0.243 -0.776) 1.660 2.725 ( -4.578 -0.056 0.497) 4.606 2.790 ( -0.493 -0.360 1.592) 1.705 2.850 ( -0.721 -2.818 0.634) 2.977 2.869 ( -0.525 -1.592 -5.076) 5.346 2.919 ( 6.417 -4.594 -1.936) 8.126 2.946 ( 0.648 2.243 2.087) 3.132 3.005 ( 1.091 7.802 2.377) 8.229 3.024 ( 3.797 2.812 5.357) 7.143 3.040 ( -0.459 3.139 -0.939) 3.308 3.125 ( 6.042 -0.495 -1.276) 6.195 3.175 ( 1.943 -4.882 1.783) 5.548 3.204 ( 0.109 5.588 -0.208) 5.593 3.257 ( 4.448 -0.703 0.937) 4.599 3.264 ( -1.170 0.105 3.709) 3.890 3.342 ( -0.093 -0.832 3.735) 3.827 3.407 ( -0.322 -4.151 -0.308) 4.174 3.414 ( 1.108 -4.687 3.394) 5.891 3.476 ( 3.099 -2.359 3.639) 5.330 3.492 ( 5.894 -1.680 -0.615) 6.160 3.525 ( -1.089 -2.155 -0.868) 2.566 3.567 ( 5.824 -0.857 1.390) 6.048 3.616 ( 0.312 -3.621 3.818) 5.271 3.651 ( 5.012 1.336 0.264) 5.194 3.664 ( -1.218 0.320 -7.746) 7.848 3.725 ( 1.060 -0.392 3.272) 3.462 3.766 ( 4.194 5.276 4.349) 8.021 3.791 ( -0.141 6.640 6.379) 9.209 3.836 ( 3.430 1.720 -4.301) 5.764 3.851 ( -2.495 0.891 -1.488) 3.038 3.911 ( -4.137 1.173 -4.085) 5.931 3.962 ( 1.441 -1.057 -2.083) 2.744 3.981 ( 2.363 4.288 1.507) 5.123 4.044 ( 1.605 -0.117 -2.843) 3.267 4.105 ( 1.268 2.269 -1.854) 3.193 4.144 ( 1.507 -3.494 1.773) 4.198 4.191 ( -2.681 -0.297 -0.526) 2.748 4.234 ( -1.407 -2.704 0.564) 3.100 4.262 ( -1.144 -1.508 -1.666) 2.522 4.275 ( 1.906 3.349 -0.487) 3.884 4.323 ( 0.065 -1.552 -3.128) 3.492 4.358 ( 0.002 -0.162 -1.305) 1.315 4.454 ( -2.568 1.305 -1.183) 3.114 4.481 ( -1.848 -1.768 -1.364) 2.899 4.500 ( -0.556 -1.330 1.271) 1.922 4.549 ( 1.148 1.904 -3.728) 4.340 4.591 ( 0.202 -1.911 1.741) 2.593 4.629 ( -3.084 -3.565 0.350) 4.727 4.691 ( 5.590 -2.314 1.168) 6.161 4.775 ( -6.573 8.829 0.294) 11.011 4.813 ( -0.329 -4.592 -1.109) 4.735 4.816 ( -3.277 0.424 -1.542) 3.646 4.857 ( -1.729 0.644 2.700) 3.270 4.957 ( -3.761 -2.338 -7.525) 8.732 4.962 ( -4.885 -1.907 -5.450) 7.563 4.998 ( -2.409 2.468 -4.491) 5.662 5.041 ( -0.557 -6.165 -0.264) 6.196 5.132 ( 2.010 -1.382 -1.944) 3.119 5.179 ( -3.342 -1.927 -0.036) 3.858 5.214 ( 2.778 2.652 -9.168) 9.940 5.292 ( 1.758 5.582 -5.050) 7.730 5.308 ( 0.023 0.874 -0.576) 1.047 5.321 ( -4.917 3.196 -3.938) 7.064 5.358 ( 1.273 -0.024 -2.483) 2.790 5.425 ( -2.425 0.281 -3.016) 3.880 5.466 ( -1.444 -2.909 0.168) 3.252 5.509 ( -1.328 -1.754 -0.486) 2.253 5.551 ( 1.762 -5.203 -1.192) 5.621 5.559 ( -2.375 -3.559 -1.578) 4.561 5.671 ( 5.535 -0.323 -2.135) 5.941 5.686 ( 2.411 2.778 -2.556) 4.479 5.765 ( 0.053 5.899 3.690) 6.958 5.801 ( 0.570 1.579 4.683) 4.975 5.843 ( -0.008 -2.782 1.610) 3.214 5.875 ( 2.168 1.121 2.036) 3.179 5.929 ( 0.834 2.552 6.081) 6.647 5.957 ( 5.124 4.295 4.460) 8.037 6.006 ( -3.444 -1.266 -1.696) 4.042 6.059 ( -2.879 -5.885 3.924) 7.637 6.187 ( -0.091 -1.197 2.627) 2.888 6.221 ( 2.159 0.574 -2.366) 3.253 6.246 ( 3.996 -0.844 0.265) 4.093 6.329 ( 4.205 -5.338 2.801) 7.350 6.373 ( 7.092 3.202 2.827) 8.279 6.439 ( 2.636 -1.187 0.726) 2.980 6.505 ( 0.449 -0.623 0.914) 1.194 6.563 ( 2.010 -1.341 -3.200) 4.009 6.586 ( -0.162 -0.126 0.813) 0.839 6.680 ( 0.809 -0.226 -2.307) 2.455 6.707 ( 3.964 -2.164 1.615) 4.797 6.765 ( 1.139 -2.317 2.808) 3.815 6.787 ( 0.179 3.391 1.711) 3.802 6.872 ( 3.205 3.396 -1.075) 4.792 6.905 ( 0.274 -0.130 2.759) 2.775 6.955 ( 1.330 -2.240 1.715) 3.119 7.055 ( 3.703 1.224 0.461) 3.927 7.125 ( 0.538 -1.516 0.436) 1.667 7.170 ( 2.418 -0.053 -2.585) 3.540 7.197 ( 2.330 -3.661 -2.229) 4.879 7.380 ( -3.831 -0.539 2.162) 4.432 7.430 ( -1.339 2.841 1.050) 3.312 7.524 ( 0.309 -0.049 0.369) 0.484 7.538 ( -2.838 4.248 1.046) 5.215 7.601 ( 2.144 0.744 -1.905) 2.963 7.664 ( 3.009 2.469 -0.884) 3.991 7.703 ( -0.338 0.698 3.774) 3.853 7.804 ( 2.283 2.499 2.195) 4.035 8.297 ( -0.906 0.636 1.522) 1.882 8.348 ( -2.055 -1.993 5.669) 6.350 8.493 ( 3.323 1.768 0.313) 3.776 8.573 ( 2.892 -1.691 1.200) 3.558 8.650 ( 2.436 1.899 2.701) 4.104 8.713 ( -0.121 1.831 -2.539) 3.133 8.820 ( -4.486 -3.188 1.506) 5.706 8.962 ( -2.279 -6.921 -2.092) 7.581 9.068 ( -0.459 1.528 3.503) 3.849 9.169 ( -1.571 -2.409 1.681) 3.331 9.230 ( -5.200 2.320 -3.126) 6.496 9.292 ( -5.340 0.802 -5.105) 7.431 9.666 ( -2.013 1.958 6.788) 7.346 9.767 ( -1.666 -1.522 5.656) 6.090 10.034 ( 3.775 3.728 -2.256) 5.765 10.137 ( -0.586 0.257 -5.554) 5.590 10.211 ( -0.796 0.595 -2.746) 2.920 10.413 ( 3.664 -7.068 -0.781) 7.999 10.586 ( 3.712 1.497 -7.900) 8.856 10.604 ( 4.517 0.213 -8.738) 9.839 11.055 ( 0.777 0.333 -1.188) 1.458 11.095 ( 0.747 -0.545 -3.113) 3.247 11.143 ( 0.917 1.260 -2.608) 3.038 11.223 ( 1.979 -1.221 -3.432) 4.145 11.563 ( -2.446 2.413 2.750) 4.401 11.582 ( -2.952 2.634 1.374) 4.188 11.706 ( -4.771 -0.337 2.946) 5.618 11.762 ( 0.093 -1.482 3.230) 3.555 12.085 ( -6.463 0.640 1.373) 6.638 12.141 ( -5.385 1.499 1.068) 5.691 12.204 ( -0.444 -0.882 5.189) 5.282 12.275 ( -1.323 0.786 10.825) 10.934 12.292 ( -12.551 -6.470 -10.996) 17.897 12.385 ( -2.909 -1.957 10.949) 11.496 12.480 ( -0.424 0.864 1.610) 1.875 12.530 ( 0.163 -0.851 -0.061) 0.868 12.653 ( 2.264 3.306 -3.775) 5.505 12.760 ( 6.411 -1.558 -1.664) 6.804 12.841 ( 3.806 2.328 -4.373) 6.247 12.927 ( 2.554 -1.327 -3.944) 4.882 14.299 ( 1.133 3.243 0.594) 3.486 14.422 ( -0.003 -1.520 0.563) 1.621 14.487 ( 2.066 4.592 -3.753) 6.280 14.626 ( 3.766 -1.768 -1.576) 4.449 17.089 ( -0.948 0.230 2.130) 2.343 17.145 ( 0.085 -1.627 4.429) 4.719 17.309 ( -2.702 -0.169 -4.066) 4.885 17.439 ( -4.819 -7.174 -8.759) 12.305 18.177 ( 2.182 2.517 1.434) 3.627 18.223 ( -0.109 0.157 4.068) 4.073 18.329 ( -0.185 2.125 -4.006) 4.538 18.368 ( -1.045 0.430 -1.186) 1.638 18.802 ( -0.919 1.510 0.144) 1.774 18.887 ( -0.438 -2.274 -1.291) 2.651 18.934 ( 1.683 1.146 -1.650) 2.621 18.990 ( 1.014 2.627 0.298) 2.832 19.027 ( -0.120 -2.037 -3.151) 3.754 19.101 ( 0.781 4.162 -1.416) 4.466 19.120 ( -2.967 -1.705 2.304) 4.125 19.177 ( -2.782 0.430 -0.123) 2.818 19.222 ( -0.195 -0.138 -0.745) 0.782 19.272 ( -2.051 -0.842 -1.063) 2.458 19.392 ( -1.086 4.726 0.382) 4.865 19.497 ( -1.064 2.296 4.069) 4.792 19.528 ( -6.366 2.329 0.776) 6.823 19.716 ( -7.335 -5.973 1.946) 9.657 19.892 ( -0.374 -3.897 -3.980) 5.583 19.954 ( 3.395 -4.984 -0.993) 6.111 20.264 ( 7.411 1.567 6.507) 9.986 20.313 ( 4.281 -1.060 2.074) 4.874 20.446 ( 5.730 10.720 4.745) 13.049 20.787 ( 7.520 -4.787 -2.258) 9.196 ======================= Grid point 46 (24/48) ======================= q-point: (-0.17 0.25 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -6.820 6.510 14.413) 17.223 0.853 ( -19.901 17.968 5.106) 27.294 0.965 ( -4.132 -6.432 3.835) 8.552 1.094 ( -9.934 7.167 4.052) 12.903 1.267 ( -12.368 10.074 11.071) 19.417 1.368 ( -1.920 4.313 6.314) 7.884 1.399 ( -10.903 10.706 24.175) 28.599 1.513 ( -12.831 -5.608 5.387) 15.004 1.629 ( -2.243 0.356 0.605) 2.350 1.697 ( -3.459 7.780 -5.782) 10.292 1.813 ( -5.015 -2.372 2.521) 6.094 1.844 ( -1.894 1.670 2.746) 3.730 1.879 ( -3.287 -0.192 1.080) 3.465 2.064 ( -1.494 -1.434 -1.642) 2.643 2.128 ( -3.105 -0.720 -2.171) 3.857 2.136 ( 0.363 3.053 0.325) 3.092 2.208 ( -1.544 -6.468 -3.522) 7.525 2.314 ( -2.253 -2.624 -1.885) 3.939 2.337 ( 1.811 1.182 2.383) 3.219 2.363 ( 0.754 0.083 3.248) 3.336 2.443 ( 2.096 -5.654 1.578) 6.233 2.457 ( 1.603 -2.653 2.422) 3.933 2.552 ( -2.027 2.362 -2.784) 4.175 2.581 ( -5.705 -2.841 0.829) 6.427 2.657 ( -1.367 -1.548 2.426) 3.186 2.679 ( -0.977 -1.053 -0.860) 1.674 2.718 ( 1.803 -3.026 2.340) 4.229 2.800 ( -1.816 0.109 2.628) 3.196 2.849 ( 3.016 -1.868 -3.617) 5.066 2.861 ( -2.181 -0.314 3.833) 4.421 2.930 ( 1.196 3.614 -1.073) 3.955 2.971 ( -2.186 -1.018 1.550) 2.867 3.029 ( 2.752 3.500 -0.456) 4.476 3.042 ( 1.011 4.824 0.474) 4.952 3.129 ( 0.768 1.257 -0.131) 1.479 3.172 ( -2.423 -2.483 1.025) 3.618 3.222 ( 1.300 2.296 0.276) 2.653 3.248 ( 3.549 -4.876 -0.992) 6.112 3.252 ( 5.791 3.861 0.045) 6.960 3.325 ( 1.687 -1.339 3.544) 4.148 3.401 ( -1.998 -3.219 -2.711) 4.658 3.425 ( 6.689 -0.334 3.834) 7.717 3.462 ( 0.885 -4.078 1.278) 4.365 3.482 ( -0.676 -2.032 -3.746) 4.315 3.514 ( -0.188 -2.827 -1.631) 3.269 3.555 ( 0.710 0.267 -5.065) 5.121 3.571 ( -2.458 -1.303 -0.303) 2.799 3.625 ( 2.684 -0.514 -1.868) 3.310 3.687 ( 2.553 1.177 -3.223) 4.277 3.723 ( 0.672 2.026 1.526) 2.624 3.744 ( 2.792 2.153 -2.872) 4.547 3.806 ( 2.138 5.288 0.638) 5.739 3.839 ( 3.127 -1.283 0.281) 3.392 3.858 ( -0.208 -2.162 -0.715) 2.286 3.914 ( 2.462 1.680 3.603) 4.676 3.944 ( 3.090 0.879 1.806) 3.686 3.969 ( 7.301 2.623 1.174) 7.846 4.004 ( -2.197 1.605 -3.320) 4.293 4.054 ( 2.102 3.155 2.367) 4.469 4.073 ( -7.264 -2.114 -7.265) 10.489 4.111 ( -2.174 -4.184 2.585) 5.377 4.126 ( -3.841 -3.298 1.185) 5.199 4.208 ( -0.695 -0.294 -4.738) 4.798 4.267 ( 1.679 1.653 0.703) 2.459 4.280 ( 0.222 0.837 5.431) 5.500 4.319 ( 2.875 2.668 3.533) 5.279 4.354 ( 0.165 -0.124 -4.055) 4.060 4.409 ( -4.109 -1.304 -2.408) 4.938 4.473 ( 2.889 -2.363 -1.164) 3.910 4.510 ( -0.398 4.532 0.357) 4.564 4.538 ( 0.994 -0.559 -2.798) 3.021 4.575 ( -3.220 -0.853 1.729) 3.753 4.626 ( -4.155 4.737 1.455) 6.467 4.638 ( -2.763 2.316 -1.445) 3.884 4.681 ( -1.685 6.797 -3.144) 7.676 4.757 ( -0.657 -2.355 -1.760) 3.012 4.806 ( -4.128 4.196 -0.309) 5.894 4.852 ( 2.808 -1.185 -3.092) 4.342 4.868 ( 0.044 -2.080 -4.754) 5.189 4.930 ( 1.123 -3.878 -1.460) 4.294 4.970 ( 0.248 -1.389 -3.752) 4.008 5.047 ( -0.408 -6.819 -1.278) 6.949 5.099 ( -3.049 1.821 0.454) 3.580 5.140 ( -0.207 1.347 -3.797) 4.034 5.179 ( -4.454 -2.448 -1.078) 5.195 5.221 ( 2.579 -1.586 -3.367) 4.529 5.243 ( -4.783 0.933 -0.394) 4.889 5.288 ( -0.754 3.019 -2.505) 3.994 5.375 ( -0.670 -0.950 -5.748) 5.864 5.394 ( -0.622 0.925 -2.041) 2.326 5.448 ( -0.055 -1.404 0.943) 1.692 5.501 ( -2.340 -5.004 -4.019) 6.831 5.513 ( 3.439 -3.776 0.870) 5.181 5.576 ( 1.503 -5.880 0.297) 6.076 5.669 ( -2.416 4.125 -2.764) 5.522 5.687 ( -0.606 -2.428 -1.101) 2.734 5.774 ( 0.365 1.137 2.345) 2.631 5.828 ( -0.422 -0.088 6.548) 6.563 5.900 ( -1.648 -3.386 0.864) 3.863 5.931 ( 1.779 -1.761 6.594) 7.053 5.979 ( 2.881 -0.283 2.689) 3.952 6.002 ( -2.692 -1.354 3.315) 4.480 6.030 ( 4.723 2.736 3.656) 6.569 6.093 ( 3.104 0.280 3.017) 4.338 6.211 ( -0.824 4.243 0.278) 4.332 6.246 ( 5.107 -4.178 -0.127) 6.600 6.343 ( 4.098 -3.367 3.079) 6.133 6.370 ( 1.329 -6.905 1.384) 7.167 6.454 ( 0.142 -1.433 -2.903) 3.241 6.499 ( 0.574 -2.521 1.251) 2.873 6.543 ( -2.548 1.628 -5.302) 6.104 6.585 ( 2.352 0.575 4.764) 5.344 6.593 ( 6.046 3.095 -0.011) 6.792 6.689 ( 2.115 1.572 0.635) 2.711 6.766 ( 2.943 2.476 0.298) 3.858 6.803 ( 2.271 0.991 2.117) 3.259 6.806 ( -1.115 -0.343 1.886) 2.217 6.934 ( 4.048 0.033 3.139) 5.123 6.956 ( -0.156 -0.695 1.565) 1.720 6.983 ( 1.687 -3.078 0.824) 3.605 7.078 ( -1.665 2.277 -2.193) 3.573 7.110 ( 0.835 -0.679 0.039) 1.077 7.178 ( -1.197 0.014 0.322) 1.240 7.254 ( 0.403 1.708 1.783) 2.502 7.356 ( 2.794 0.718 0.176) 2.890 7.410 ( -1.902 -1.568 1.338) 2.805 7.480 ( -1.556 6.252 0.211) 6.446 7.555 ( 1.601 1.262 -0.353) 2.069 7.620 ( -0.017 1.099 -2.043) 2.320 7.717 ( 2.468 1.746 0.718) 3.107 7.723 ( 0.250 0.239 2.725) 2.747 7.920 ( 7.681 -1.206 1.562) 7.931 8.301 ( 0.636 0.277 1.129) 1.325 8.326 ( -1.904 -2.012 2.002) 3.418 8.550 ( 2.065 0.155 0.487) 2.127 8.596 ( -0.619 -1.835 -0.852) 2.115 8.693 ( -0.816 -0.987 -2.401) 2.721 8.709 ( 2.859 0.688 1.038) 3.118 8.773 ( -1.042 -1.177 -0.130) 1.578 8.898 ( -2.629 -4.117 -2.355) 5.423 9.072 ( -1.889 1.852 -1.211) 2.909 9.103 ( -2.170 2.147 -3.209) 4.429 9.149 ( -1.575 -0.017 -0.736) 1.739 9.218 ( -0.737 -0.408 -1.544) 1.759 9.695 ( -0.437 1.880 10.746) 10.918 9.771 ( -2.395 -1.195 7.475) 7.940 10.053 ( 1.495 1.555 -5.260) 5.685 10.095 ( -0.320 -0.078 -5.335) 5.345 10.204 ( -0.004 4.346 3.085) 5.330 10.485 ( 5.744 -4.369 0.978) 7.283 10.622 ( 4.139 0.573 -7.050) 8.195 10.669 ( 7.238 -0.121 -8.943) 11.505 11.079 ( 2.038 -0.329 -0.849) 2.232 11.089 ( 0.580 0.131 -3.682) 3.730 11.150 ( 1.935 1.234 -3.067) 3.830 11.233 ( 1.462 -1.097 -4.449) 4.810 11.484 ( -7.665 3.093 1.164) 8.347 11.572 ( 0.102 1.634 1.863) 2.480 11.657 ( -11.317 -3.406 -6.801) 13.636 11.683 ( -3.750 -1.320 2.326) 4.606 11.915 ( -4.758 -0.107 0.210) 4.763 11.969 ( -10.968 -1.954 -7.040) 13.179 12.049 ( -8.762 1.948 0.094) 8.977 12.170 ( -5.365 -2.161 1.217) 5.911 12.307 ( -1.669 0.675 12.471) 12.600 12.404 ( -2.718 -2.185 12.496) 12.973 12.495 ( 0.252 0.460 2.429) 2.485 12.535 ( 0.144 -1.355 0.471) 1.442 12.673 ( 2.402 5.565 -2.531) 6.568 12.846 ( 4.264 -2.297 -1.341) 5.026 12.905 ( 4.162 1.825 -2.268) 5.079 12.982 ( 4.203 -1.433 -1.542) 4.701 14.354 ( 4.618 4.588 -0.380) 6.521 14.439 ( 1.259 -0.577 1.373) 1.950 14.515 ( 2.518 5.016 -1.840) 5.906 14.684 ( 3.067 -2.193 -1.452) 4.041 17.070 ( -1.787 0.236 0.599) 1.899 17.150 ( -1.858 -2.510 2.056) 3.739 17.232 ( -5.867 -0.165 -3.712) 6.945 17.269 ( -5.079 -0.685 -5.395) 7.441 18.215 ( -1.174 1.852 0.732) 2.311 18.242 ( 3.141 2.479 1.150) 4.163 18.320 ( -0.854 -0.314 -0.615) 1.098 18.350 ( 0.671 -0.447 -0.152) 0.821 18.795 ( -0.235 1.242 1.223) 1.759 18.866 ( -1.125 -2.212 -0.890) 2.636 18.967 ( 2.406 0.349 -0.650) 2.517 19.013 ( 1.385 1.791 -0.976) 2.466 19.015 ( 1.003 -0.134 -2.282) 2.496 19.078 ( -2.031 1.160 1.223) 2.639 19.119 ( 0.625 0.090 1.764) 1.874 19.147 ( -0.413 0.624 0.769) 1.073 19.194 ( -3.109 -1.036 -1.079) 3.450 19.225 ( -1.806 -0.844 -1.121) 2.287 19.363 ( -2.704 2.657 -1.265) 3.996 19.413 ( -3.780 3.105 0.835) 4.963 19.448 ( -5.191 -0.573 -0.632) 5.260 19.596 ( -6.913 -4.269 -0.464) 8.138 19.837 ( -1.484 2.267 -4.249) 5.039 20.002 ( 1.529 -5.631 -1.018) 5.923 20.337 ( 1.189 2.680 4.402) 5.290 20.455 ( 7.462 -1.964 1.318) 7.827 20.756 ( 19.499 4.374 10.587) 22.615 20.918 ( 7.196 -3.402 -2.285) 8.281 ======================= Grid point 47 (25/48) ======================= q-point: ( 0.00 -0.50 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 3.847 -6.818 10.348) 12.975 0.861 ( 3.847 6.818 10.348) 12.975 1.000 ( -2.448 -5.573 21.634) 22.474 1.000 ( -2.448 5.573 21.634) 22.474 1.285 ( -4.852 -2.968 5.851) 8.160 1.285 ( -4.852 2.968 5.851) 8.160 1.535 ( -0.075 -13.784 4.612) 14.535 1.535 ( -0.075 13.784 4.612) 14.535 1.756 ( 6.059 -2.104 -1.676) 6.630 1.756 ( 6.059 2.104 -1.676) 6.630 1.835 ( -2.192 -8.324 -1.427) 8.725 1.835 ( -2.192 8.324 -1.427) 8.725 1.945 ( -3.531 -8.563 2.725) 9.655 1.945 ( -3.531 8.563 2.725) 9.655 2.025 ( 0.128 -5.932 1.171) 6.047 2.025 ( 0.128 5.932 1.171) 6.047 2.209 ( 1.157 -3.422 1.554) 3.932 2.209 ( 1.157 3.422 1.554) 3.932 2.327 ( 1.228 -5.296 2.193) 5.863 2.327 ( 1.228 5.296 2.193) 5.863 2.444 ( -3.182 -2.694 5.217) 6.678 2.444 ( -3.182 2.694 5.217) 6.678 2.544 ( 2.294 -5.041 1.598) 5.765 2.544 ( 2.294 5.041 1.598) 5.765 2.677 ( 2.313 -2.663 2.782) 4.492 2.677 ( 2.313 2.663 2.782) 4.492 2.723 ( 0.700 -2.096 -2.017) 2.992 2.723 ( 0.700 2.096 -2.017) 2.992 2.821 ( -2.076 -1.369 1.372) 2.840 2.821 ( -2.076 1.369 1.372) 2.840 2.958 ( -2.404 -2.492 -2.464) 4.250 2.958 ( -2.404 2.492 -2.464) 4.250 3.050 ( 0.336 -2.255 -4.191) 4.770 3.050 ( 0.336 2.255 -4.191) 4.770 3.185 ( -1.278 -1.707 0.801) 2.279 3.185 ( -1.278 1.707 0.801) 2.279 3.231 ( -3.413 -2.648 -0.497) 4.348 3.231 ( -3.413 2.648 -0.497) 4.348 3.343 ( 0.985 -2.264 -1.026) 2.674 3.343 ( 0.985 2.264 -1.026) 2.674 3.382 ( -2.102 -4.936 -5.022) 7.349 3.382 ( -2.102 4.936 -5.022) 7.349 3.423 ( -1.746 -4.299 -0.238) 4.646 3.423 ( -1.746 4.299 -0.238) 4.646 3.469 ( 0.439 -1.626 -0.873) 1.898 3.469 ( 0.439 1.626 -0.873) 1.898 3.578 ( -2.085 -1.935 -1.207) 3.090 3.578 ( -2.085 1.935 -1.207) 3.090 3.670 ( -0.858 -2.391 -0.933) 2.706 3.670 ( -0.858 2.391 -0.933) 2.706 3.810 ( -0.984 -1.957 -3.533) 4.157 3.810 ( -0.984 1.957 -3.533) 4.157 3.906 ( -3.147 -3.723 -2.460) 5.461 3.906 ( -3.147 3.723 -2.460) 5.461 3.943 ( 1.078 -2.600 1.780) 3.330 3.943 ( 1.078 2.600 1.780) 3.330 4.011 ( 0.530 -1.470 -0.040) 1.563 4.011 ( 0.530 1.470 -0.040) 1.563 4.055 ( 5.195 -1.804 -1.000) 5.589 4.055 ( 5.195 1.804 -1.000) 5.589 4.124 ( -0.198 -6.644 3.105) 7.337 4.124 ( -0.198 6.644 3.105) 7.337 4.215 ( 1.313 -3.817 -0.340) 4.051 4.215 ( 1.313 3.817 -0.340) 4.051 4.317 ( -0.973 -4.834 0.554) 4.962 4.317 ( -0.973 4.834 0.554) 4.962 4.448 ( 4.415 -2.155 5.358) 7.270 4.448 ( 4.415 2.155 5.358) 7.270 4.529 ( 0.316 -4.254 -0.973) 4.376 4.529 ( 0.316 4.254 -0.973) 4.376 4.610 ( -3.336 -5.068 -1.582) 6.271 4.610 ( -3.336 5.068 -1.582) 6.271 4.632 ( -4.636 -8.906 -2.368) 10.316 4.632 ( -4.636 8.906 -2.368) 10.316 4.671 ( 3.263 -6.892 -1.683) 7.809 4.671 ( 3.263 6.892 -1.683) 7.809 4.793 ( 3.733 -1.119 -8.611) 9.452 4.793 ( 3.733 1.119 -8.611) 9.452 4.872 ( 3.113 -1.910 -2.000) 4.164 4.872 ( 3.113 1.910 -2.000) 4.164 4.943 ( -0.952 -5.083 2.009) 5.548 4.943 ( -0.952 5.083 2.009) 5.548 5.083 ( -0.690 -2.994 2.753) 4.125 5.083 ( -0.690 2.994 2.753) 4.125 5.155 ( -4.183 -2.024 -0.888) 4.732 5.155 ( -4.183 2.024 -0.888) 4.732 5.295 ( 4.350 -1.615 -1.169) 4.785 5.295 ( 4.350 1.615 -1.169) 4.785 5.379 ( -1.223 -4.184 -6.460) 7.793 5.379 ( -1.223 4.184 -6.460) 7.793 5.424 ( 4.861 -4.782 -1.145) 6.914 5.424 ( 4.861 4.782 -1.145) 6.914 5.488 ( 1.647 -4.468 0.057) 4.762 5.488 ( 1.647 4.468 0.057) 4.762 5.644 ( -0.569 -2.484 0.391) 2.578 5.644 ( -0.569 2.484 0.391) 2.578 5.819 ( -0.812 -3.475 3.262) 4.835 5.819 ( -0.812 3.475 3.262) 4.835 5.901 ( -0.186 -2.230 4.983) 5.462 5.901 ( -0.186 2.230 4.983) 5.462 6.011 ( -4.185 -5.878 3.355) 7.957 6.011 ( -4.185 5.878 3.355) 7.957 6.119 ( 0.923 -4.013 -1.796) 4.492 6.119 ( 0.923 4.013 -1.796) 4.492 6.191 ( -2.883 -3.330 -1.731) 4.732 6.191 ( -2.883 3.330 -1.731) 4.732 6.389 ( -0.371 -2.197 1.680) 2.790 6.389 ( -0.371 2.197 1.680) 2.790 6.494 ( 3.487 -3.216 1.309) 4.920 6.494 ( 3.487 3.216 1.309) 4.920 6.605 ( -0.605 -6.811 1.575) 7.017 6.605 ( -0.605 6.811 1.575) 7.017 6.700 ( 1.155 -2.835 1.861) 3.582 6.700 ( 1.155 2.835 1.861) 3.582 6.813 ( -1.489 -2.766 2.940) 4.303 6.813 ( -1.489 2.766 2.940) 4.303 6.870 ( 1.525 -1.282 1.597) 2.553 6.870 ( 1.525 1.282 1.597) 2.553 6.986 ( -0.577 -1.874 -0.341) 1.990 6.986 ( -0.577 1.874 -0.341) 1.990 7.118 ( 2.145 -0.633 -0.853) 2.394 7.118 ( 2.145 0.633 -0.853) 2.394 7.235 ( -0.852 -3.762 0.447) 3.883 7.235 ( -0.852 3.762 0.447) 3.883 7.406 ( 0.734 -0.896 2.220) 2.504 7.406 ( 0.734 0.896 2.220) 2.504 7.569 ( -3.356 -1.934 -1.611) 4.195 7.569 ( -3.356 1.934 -1.611) 4.195 7.723 ( 2.636 -8.861 0.403) 9.254 7.723 ( 2.636 8.861 0.403) 9.254 7.746 ( -4.167 -1.206 -0.542) 4.371 7.746 ( -4.167 1.206 -0.542) 4.371 8.325 ( 0.130 -0.233 2.327) 2.343 8.325 ( 0.130 0.233 2.327) 2.343 8.540 ( -1.730 -1.169 -1.768) 2.736 8.540 ( -1.730 1.169 -1.768) 2.736 8.697 ( 1.399 -1.907 -1.016) 2.575 8.697 ( 1.399 1.907 -1.016) 2.575 8.789 ( -0.626 -3.419 -2.727) 4.418 8.789 ( -0.626 3.419 -2.727) 4.418 9.079 ( 2.525 -2.162 -2.280) 4.031 9.079 ( 2.525 2.162 -2.280) 4.031 9.145 ( -2.676 -0.884 -3.577) 4.554 9.145 ( -2.676 0.884 -3.577) 4.554 9.719 ( -4.706 -2.107 7.626) 9.205 9.719 ( -4.706 2.107 7.626) 9.205 10.106 ( 5.452 -1.523 -1.855) 5.956 10.106 ( 5.452 1.523 -1.855) 5.956 10.343 ( -3.059 -8.993 1.579) 9.630 10.343 ( -3.059 8.993 1.579) 9.630 10.690 ( 2.725 -0.894 -10.048) 10.449 10.690 ( 2.725 0.894 -10.048) 10.449 11.088 ( 1.132 -0.338 -1.845) 2.190 11.088 ( 1.132 0.338 -1.845) 2.190 11.222 ( 2.530 -0.843 -3.992) 4.800 11.222 ( 2.530 0.843 -3.992) 4.800 11.487 ( 5.294 -2.418 1.587) 6.033 11.487 ( 5.294 2.418 1.587) 6.033 11.611 ( -4.789 -2.036 0.330) 5.215 11.611 ( -4.789 2.036 0.330) 5.215 11.868 ( -1.517 -0.796 0.610) 1.819 11.868 ( -1.517 0.796 0.610) 1.819 12.032 ( -0.285 -3.612 -0.512) 3.659 12.032 ( -0.285 3.612 -0.512) 3.659 12.373 ( -1.957 -2.265 11.578) 11.959 12.373 ( -1.957 2.265 11.578) 11.959 12.514 ( -0.555 -0.775 1.910) 2.135 12.514 ( -0.555 0.775 1.910) 2.135 12.822 ( 2.045 -4.236 -0.717) 4.758 12.822 ( 2.045 4.236 -0.717) 4.758 12.976 ( 0.482 -2.517 -1.487) 2.963 12.976 ( 0.482 2.517 -1.487) 2.963 14.458 ( 0.373 -1.293 1.782) 2.233 14.458 ( 0.373 1.293 1.782) 2.233 14.633 ( 0.018 -4.258 -2.219) 4.801 14.633 ( 0.018 4.258 -2.219) 4.801 17.082 ( -0.515 -0.808 0.522) 1.092 17.082 ( -0.515 0.808 0.522) 1.092 17.218 ( 1.531 -2.418 -1.026) 3.040 17.218 ( 1.531 2.418 -1.026) 3.040 18.248 ( -1.715 -2.940 0.776) 3.491 18.248 ( -1.715 2.940 0.776) 3.491 18.340 ( 1.636 -1.913 0.513) 2.569 18.340 ( 1.636 1.913 0.513) 2.569 18.828 ( 0.493 -0.876 1.027) 1.437 18.828 ( 0.493 0.876 1.027) 1.437 19.000 ( 0.200 -0.680 -1.111) 1.318 19.000 ( 0.200 0.680 -1.111) 1.318 19.075 ( 0.121 -0.867 1.693) 1.906 19.075 ( 0.121 0.867 1.693) 1.906 19.127 ( 0.307 -1.547 0.589) 1.684 19.127 ( 0.307 1.547 0.589) 1.684 19.193 ( 1.279 -1.346 0.916) 2.070 19.193 ( 1.279 1.346 0.916) 2.070 19.345 ( -0.987 -1.290 0.129) 1.629 19.345 ( -0.987 1.290 0.129) 1.629 19.447 ( -1.786 -2.952 -3.845) 5.166 19.447 ( -1.786 2.952 -3.845) 5.166 19.899 ( 0.377 -5.411 -3.086) 6.241 19.899 ( 0.377 5.411 -3.086) 6.241 20.472 ( 0.255 -4.671 4.302) 6.355 20.472 ( 0.255 4.671 4.302) 6.355 20.921 ( -1.097 -0.817 -2.925) 3.229 20.921 ( -1.097 0.817 -2.925) 3.229 ======================= Grid point 49 (26/48) ======================= q-point: ( 0.17 -0.50 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 6.116 -1.902 4.449) 7.799 1.003 ( 6.116 1.902 4.449) 7.799 1.144 ( 2.860 -4.143 14.670) 15.510 1.144 ( 2.860 4.143 14.670) 15.510 1.365 ( 9.757 -0.620 8.269) 12.805 1.365 ( 9.757 0.620 8.269) 12.805 1.564 ( 0.228 -19.878 4.602) 20.405 1.564 ( 0.228 19.878 4.602) 20.405 1.760 ( -0.689 -7.273 -1.144) 7.394 1.760 ( -0.689 7.273 -1.144) 7.394 1.893 ( 6.165 -2.803 -1.152) 6.869 1.893 ( 6.165 2.803 -1.152) 6.869 1.917 ( -0.244 -5.200 0.853) 5.276 1.917 ( -0.244 5.200 0.853) 5.276 2.121 ( 5.747 -3.100 3.470) 7.394 2.121 ( 5.747 3.100 3.470) 7.394 2.259 ( 4.228 -1.718 1.512) 4.808 2.259 ( 4.228 1.718 1.512) 4.808 2.365 ( -1.538 -2.426 3.264) 4.348 2.365 ( -1.538 2.426 3.264) 4.348 2.393 ( -1.542 -3.621 2.420) 4.620 2.393 ( -1.542 3.621 2.420) 4.620 2.619 ( 2.043 -3.756 3.895) 5.784 2.619 ( 2.043 3.756 3.895) 5.784 2.716 ( -1.973 -3.770 -0.020) 4.255 2.716 ( -1.973 3.770 -0.020) 4.255 2.752 ( 2.250 -3.553 0.026) 4.205 2.752 ( 2.250 3.553 0.026) 4.205 2.788 ( 2.506 -0.773 -1.598) 3.071 2.788 ( 2.506 0.773 -1.598) 3.071 2.911 ( 0.262 -8.916 -1.003) 8.976 2.911 ( 0.262 8.916 -1.003) 8.976 3.015 ( -6.017 -5.945 -0.567) 8.478 3.015 ( -6.017 5.945 -0.567) 8.478 3.119 ( 1.624 -2.588 -0.553) 3.105 3.119 ( 1.624 2.588 -0.553) 3.105 3.206 ( -2.151 -2.026 2.104) 3.627 3.206 ( -2.151 2.026 2.104) 3.627 3.234 ( -6.167 -1.305 -4.855) 7.957 3.234 ( -6.167 1.305 -4.855) 7.957 3.351 ( -1.428 -5.729 -2.588) 6.447 3.351 ( -1.428 5.729 -2.588) 6.447 3.409 ( -0.993 -3.315 -2.818) 4.462 3.409 ( -0.993 3.315 -2.818) 4.462 3.448 ( -1.118 -1.247 -0.276) 1.697 3.448 ( -1.118 1.247 -0.276) 1.697 3.551 ( -1.717 -4.614 4.522) 6.685 3.551 ( -1.717 4.614 4.522) 6.685 3.686 ( -0.859 -5.962 1.517) 6.211 3.686 ( -0.859 5.962 1.517) 6.211 3.755 ( -0.137 -1.806 -3.163) 3.645 3.755 ( -0.137 1.806 -3.163) 3.645 3.817 ( -3.675 -1.316 0.648) 3.957 3.817 ( -3.675 1.316 0.648) 3.957 3.927 ( -2.180 -1.260 -1.662) 3.017 3.927 ( -2.180 1.260 -1.662) 3.017 4.028 ( 0.795 -0.490 0.036) 0.935 4.028 ( 0.795 0.490 0.036) 0.935 4.081 ( -0.833 -0.478 -2.155) 2.360 4.081 ( -0.833 0.478 -2.155) 2.360 4.210 ( 2.339 -0.515 0.683) 2.491 4.210 ( 2.339 0.515 0.683) 2.491 4.264 ( 3.317 -6.146 2.784) 7.519 4.264 ( 3.317 6.146 2.784) 7.519 4.329 ( 0.781 -2.847 -0.193) 2.959 4.329 ( 0.781 2.847 -0.193) 2.959 4.466 ( -2.996 -5.033 1.332) 6.007 4.466 ( -2.996 5.033 1.332) 6.007 4.488 ( -4.082 -8.213 -1.923) 9.371 4.488 ( -4.082 8.213 -1.923) 9.371 4.555 ( 1.362 -3.740 -0.670) 4.036 4.555 ( 1.362 3.740 -0.670) 4.036 4.597 ( 3.371 -4.083 -4.119) 6.708 4.597 ( 3.371 4.083 -4.119) 6.708 4.707 ( 1.022 -2.037 -3.202) 3.931 4.707 ( 1.022 2.037 -3.202) 3.931 4.807 ( 1.224 -2.183 -6.962) 7.398 4.807 ( 1.224 2.183 -6.962) 7.398 4.920 ( 3.666 -1.786 -0.494) 4.108 4.920 ( 3.666 1.786 -0.494) 4.108 5.010 ( 5.847 -4.512 1.490) 7.534 5.010 ( 5.847 4.512 1.490) 7.534 5.089 ( 0.506 -4.256 4.414) 6.153 5.089 ( 0.506 4.256 4.414) 6.153 5.180 ( 5.304 -3.189 1.174) 6.299 5.180 ( 5.304 3.189 1.174) 6.299 5.299 ( -0.406 -3.639 -7.045) 7.940 5.299 ( -0.406 3.639 -7.045) 7.940 5.353 ( 1.550 -4.683 -3.220) 5.891 5.353 ( 1.550 4.683 -3.220) 5.891 5.484 ( 2.302 -1.603 -2.222) 3.579 5.484 ( 2.302 1.603 -2.222) 3.579 5.544 ( 3.473 -1.888 -2.222) 4.535 5.544 ( 3.473 1.888 -2.222) 4.535 5.653 ( 0.867 -4.430 0.005) 4.514 5.653 ( 0.867 4.430 0.005) 4.514 5.793 ( -2.771 -2.288 0.988) 3.727 5.793 ( -2.771 2.288 0.988) 3.727 5.910 ( -3.988 -5.596 0.661) 6.904 5.910 ( -3.988 5.596 0.661) 6.904 5.956 ( 1.252 -2.194 6.085) 6.588 5.956 ( 1.252 2.194 6.085) 6.588 6.091 ( -3.552 -3.549 4.104) 6.485 6.091 ( -3.552 3.549 4.104) 6.485 6.176 ( 1.025 -3.366 0.021) 3.519 6.176 ( 1.025 3.366 0.021) 3.519 6.380 ( -1.399 -0.719 0.886) 1.806 6.380 ( -1.399 0.719 0.886) 1.806 6.448 ( -6.464 -5.301 0.489) 8.374 6.448 ( -6.464 5.301 0.489) 8.374 6.615 ( -1.678 -1.283 1.074) 2.370 6.615 ( -1.678 1.283 1.074) 2.370 6.705 ( -4.575 -0.654 1.063) 4.742 6.705 ( -4.575 0.654 1.063) 4.742 6.791 ( -0.522 -4.336 1.299) 4.557 6.791 ( -0.522 4.336 1.299) 4.557 6.866 ( -2.407 -1.553 1.963) 3.473 6.866 ( -2.407 1.553 1.963) 3.473 6.986 ( -0.812 -2.360 0.340) 2.519 6.986 ( -0.812 2.360 0.340) 2.519 7.115 ( -2.275 -2.419 -1.557) 3.668 7.115 ( -2.275 2.419 -1.557) 3.668 7.211 ( -2.602 -2.915 0.177) 3.911 7.211 ( -2.602 2.915 0.177) 3.911 7.435 ( 0.807 -4.689 4.698) 6.686 7.435 ( 0.807 4.689 4.698) 6.686 7.491 ( -1.993 -1.696 -2.442) 3.579 7.491 ( -1.993 1.696 -2.442) 3.579 7.684 ( -1.080 -1.495 -1.868) 2.625 7.684 ( -1.080 1.495 -1.868) 2.625 7.762 ( 0.003 -3.981 1.769) 4.356 7.762 ( 0.003 3.981 1.769) 4.356 8.326 ( -1.638 -0.270 3.177) 3.585 8.326 ( -1.638 0.270 3.177) 3.585 8.499 ( -0.978 -1.738 -3.109) 3.694 8.499 ( -0.978 1.738 -3.109) 3.694 8.715 ( 0.836 -2.184 0.357) 2.366 8.715 ( 0.836 2.184 0.357) 2.366 8.769 ( 0.708 -4.686 -2.878) 5.544 8.769 ( 0.708 4.686 -2.878) 5.544 9.044 ( -2.671 -4.023 -2.736) 5.550 9.044 ( -2.671 4.023 -2.736) 5.550 9.188 ( 7.354 -0.246 -0.536) 7.377 9.188 ( 7.354 0.246 -0.536) 7.377 9.689 ( -1.952 -3.102 5.025) 6.220 9.689 ( -1.952 3.102 5.025) 6.220 10.193 ( 1.645 -4.372 -2.557) 5.325 10.193 ( 1.645 4.372 -2.557) 5.325 10.288 ( -1.246 -5.004 1.563) 5.389 10.288 ( -1.246 5.004 1.563) 5.389 10.686 ( 2.171 -1.230 -6.471) 6.936 10.686 ( 2.171 1.230 -6.471) 6.936 11.090 ( 0.526 -1.296 -2.001) 2.442 11.090 ( 0.526 1.296 -2.001) 2.442 11.221 ( -0.393 -0.331 -3.713) 3.749 11.221 ( -0.393 0.331 -3.713) 3.749 11.524 ( -1.387 -1.838 -1.366) 2.677 11.524 ( -1.387 1.838 -1.366) 2.677 11.629 ( 4.497 -2.945 2.077) 5.762 11.629 ( 4.497 2.945 2.077) 5.762 11.925 ( 7.256 -2.370 0.412) 7.644 11.925 ( 7.256 2.370 0.412) 7.644 12.059 ( 2.788 -1.791 -0.683) 3.384 12.059 ( 2.788 1.791 -0.683) 3.384 12.411 ( -0.385 -1.479 9.513) 9.635 12.411 ( -0.385 1.479 9.513) 9.635 12.510 ( -0.844 -0.827 1.585) 1.977 12.510 ( -0.844 0.827 1.585) 1.977 12.827 ( -1.829 -2.334 -0.134) 2.969 12.827 ( -1.829 2.334 -0.134) 2.969 12.957 ( -1.099 -3.153 -1.748) 3.769 12.957 ( -1.099 3.153 -1.748) 3.769 14.437 ( -3.491 -3.208 1.973) 5.136 14.437 ( -3.491 3.208 1.973) 5.136 14.612 ( -0.655 -2.892 -2.268) 3.733 14.612 ( -0.655 2.892 -2.268) 3.733 17.068 ( -0.918 -0.623 0.068) 1.111 17.068 ( -0.918 0.623 0.068) 1.111 17.292 ( 6.153 -3.306 -1.089) 7.069 17.292 ( 6.153 3.306 -1.089) 7.069 18.215 ( -2.233 -1.834 0.869) 3.018 18.215 ( -2.233 1.834 0.869) 3.018 18.378 ( 1.940 -0.903 0.278) 2.158 18.378 ( 1.940 0.903 0.278) 2.158 18.849 ( 1.016 -0.875 0.863) 1.594 18.849 ( 1.016 0.875 0.863) 1.594 18.995 ( 0.069 -0.684 -0.532) 0.870 18.995 ( 0.069 0.684 -0.532) 0.870 19.071 ( -1.307 -2.336 1.135) 2.908 19.071 ( -1.307 2.336 1.135) 2.908 19.152 ( 2.225 -2.577 0.957) 3.537 19.152 ( 2.225 2.577 0.957) 3.537 19.238 ( 2.004 -2.506 1.300) 3.462 19.238 ( 2.004 2.506 1.300) 3.462 19.384 ( 4.398 -0.246 -1.995) 4.835 19.384 ( 4.398 0.246 -1.995) 4.835 19.416 ( 2.143 -1.787 -2.934) 4.049 19.416 ( 2.143 1.787 -2.934) 4.049 19.887 ( 0.211 -7.104 -2.689) 7.598 19.887 ( 0.211 7.104 -2.689) 7.598 20.438 ( -6.873 -3.590 3.830) 8.648 20.438 ( -6.873 3.590 3.830) 8.648 20.804 ( -8.602 -4.662 -1.078) 9.843 20.804 ( -8.602 4.662 -1.078) 9.843 ======================= Grid point 51 (27/48) ======================= q-point: ( 0.33 -0.50 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 2.258 -1.828 -0.635) 2.974 1.085 ( 2.258 1.828 -0.635) 2.974 1.293 ( 4.456 -2.143 8.877) 10.161 1.293 ( 4.456 2.143 8.877) 10.161 1.443 ( -2.190 -7.430 -0.433) 7.758 1.443 ( -2.190 7.430 -0.433) 7.758 1.677 ( 8.548 -6.045 4.280) 11.311 1.677 ( 8.548 6.045 4.280) 11.311 1.826 ( 5.866 -13.793 4.572) 15.670 1.826 ( 5.866 13.793 4.572) 15.670 1.898 ( -0.272 -3.472 1.188) 3.680 1.898 ( -0.272 3.472 1.188) 3.680 2.023 ( 3.003 -3.660 0.034) 4.734 2.023 ( 3.003 3.660 0.034) 4.734 2.130 ( -1.258 -2.465 2.127) 3.490 2.130 ( -1.258 2.465 2.127) 3.490 2.292 ( -0.490 -4.407 -0.890) 4.523 2.292 ( -0.490 4.407 -0.890) 4.523 2.393 ( -1.627 -1.231 6.566) 6.876 2.393 ( -1.627 1.231 6.566) 6.876 2.477 ( 8.073 -3.518 -0.470) 8.819 2.477 ( 8.073 3.518 -0.470) 8.819 2.580 ( -4.771 -2.553 -1.027) 5.508 2.580 ( -4.771 2.553 -1.027) 5.508 2.647 ( -1.510 -3.706 -1.767) 4.375 2.647 ( -1.510 3.706 -1.767) 4.375 2.755 ( -3.035 -1.305 1.736) 3.732 2.755 ( -3.035 1.305 1.736) 3.732 2.824 ( 1.682 -3.169 -5.802) 6.821 2.824 ( 1.682 3.169 -5.802) 6.821 2.953 ( 0.926 -1.897 2.222) 3.065 2.953 ( 0.926 1.897 2.222) 3.065 2.976 ( 2.568 -3.416 1.781) 4.630 2.976 ( 2.568 3.416 1.781) 4.630 3.140 ( -0.705 -6.286 -0.423) 6.339 3.140 ( -0.705 6.286 -0.423) 6.339 3.158 ( -0.205 -2.934 2.544) 3.889 3.158 ( -0.205 2.934 2.544) 3.889 3.248 ( 0.869 -0.758 1.252) 1.702 3.248 ( 0.869 0.758 1.252) 1.702 3.294 ( -0.674 -7.453 2.891) 8.023 3.294 ( -0.674 7.453 2.891) 8.023 3.369 ( -2.806 -2.606 0.905) 3.935 3.369 ( -2.806 2.606 0.905) 3.935 3.431 ( 0.232 -3.062 1.366) 3.361 3.431 ( 0.232 3.062 1.366) 3.361 3.566 ( -0.182 -5.941 7.415) 9.503 3.566 ( -0.182 5.941 7.415) 9.503 3.670 ( -0.364 -4.488 -3.314) 5.591 3.670 ( -0.364 4.488 -3.314) 5.591 3.736 ( -1.984 -4.186 -0.251) 4.639 3.736 ( -1.984 4.186 -0.251) 4.639 3.790 ( 0.822 -6.594 -2.989) 7.287 3.790 ( 0.822 6.594 -2.989) 7.287 3.929 ( 1.611 -2.257 1.188) 3.017 3.929 ( 1.611 2.257 1.188) 3.017 3.983 ( -3.275 -5.191 -2.992) 6.828 3.983 ( -3.275 5.191 -2.992) 6.828 4.092 ( 2.153 -1.675 2.932) 4.005 4.092 ( 2.153 1.675 2.932) 4.005 4.172 ( -3.039 -3.295 -0.310) 4.493 4.172 ( -3.039 3.295 -0.310) 4.493 4.254 ( -5.019 -1.216 -3.299) 6.128 4.254 ( -5.019 1.216 -3.299) 6.128 4.317 ( -0.470 -2.213 -2.346) 3.259 4.317 ( -0.470 2.213 -2.346) 3.259 4.409 ( -2.522 -1.232 5.031) 5.761 4.409 ( -2.522 1.232 5.031) 5.761 4.492 ( 0.771 -6.872 0.423) 6.928 4.492 ( 0.771 6.872 0.423) 6.928 4.579 ( 1.315 -1.164 -4.453) 4.787 4.579 ( 1.315 1.164 -4.453) 4.787 4.641 ( 1.053 -4.614 1.178) 4.877 4.641 ( 1.053 4.614 1.178) 4.877 4.702 ( -0.442 -1.745 -1.549) 2.375 4.702 ( -0.442 1.745 -1.549) 2.375 4.827 ( 8.766 -3.312 -8.464) 12.628 4.827 ( 8.766 3.312 -8.464) 12.628 4.979 ( 2.674 -1.801 0.434) 3.253 4.979 ( 2.674 1.801 0.434) 3.253 5.062 ( -0.134 -6.486 -2.066) 6.808 5.062 ( -0.134 6.486 -2.066) 6.808 5.159 ( 2.372 -3.293 3.949) 5.662 5.159 ( 2.372 3.293 3.949) 5.662 5.249 ( 5.350 -2.854 -9.697) 11.436 5.249 ( 5.350 2.854 -9.697) 11.436 5.298 ( 2.071 -1.654 0.735) 2.750 5.298 ( 2.071 1.654 0.735) 2.750 5.386 ( 2.972 -0.825 -0.761) 3.177 5.386 ( 2.972 0.825 -0.761) 3.177 5.496 ( 0.190 -4.920 -3.681) 6.147 5.496 ( 0.190 4.920 -3.681) 6.147 5.547 ( 2.225 -5.404 -7.030) 9.141 5.547 ( 2.225 5.404 -7.030) 9.141 5.636 ( -1.351 -3.452 -2.999) 4.768 5.636 ( -1.351 3.452 -2.999) 4.768 5.791 ( 2.327 -2.629 1.159) 3.697 5.791 ( 2.327 2.629 1.159) 3.697 5.898 ( -0.565 -6.431 5.866) 8.723 5.898 ( -0.565 6.431 5.866) 8.723 6.000 ( -0.503 -7.420 1.739) 7.638 6.000 ( -0.503 7.420 1.739) 7.638 6.067 ( -3.493 -1.999 7.140) 8.196 6.067 ( -3.493 1.999 7.140) 8.196 6.177 ( -0.903 -3.133 0.832) 3.365 6.177 ( -0.903 3.133 0.832) 3.365 6.315 ( -4.012 -3.388 -1.637) 5.500 6.315 ( -4.012 3.388 -1.637) 5.500 6.385 ( -1.528 -2.324 2.045) 3.452 6.385 ( -1.528 2.324 2.045) 3.452 6.526 ( -7.720 -1.506 -0.695) 7.896 6.526 ( -7.720 1.506 -0.695) 7.896 6.623 ( -4.578 -2.516 3.211) 6.132 6.623 ( -4.578 2.516 3.211) 6.132 6.758 ( -3.450 -3.357 -0.068) 4.814 6.758 ( -3.450 3.357 -0.068) 4.814 6.847 ( -0.237 -3.227 0.417) 3.263 6.847 ( -0.237 3.227 0.417) 3.263 6.923 ( -4.915 -2.635 0.750) 5.627 6.923 ( -4.915 2.635 0.750) 5.627 7.073 ( -1.668 -0.538 -0.072) 1.754 7.073 ( -1.668 0.538 -0.072) 1.754 7.162 ( -1.734 -3.698 -1.755) 4.445 7.162 ( -1.734 3.698 -1.755) 4.445 7.450 ( -0.175 -4.372 2.099) 4.853 7.450 ( -0.175 4.372 2.099) 4.853 7.509 ( 2.072 -2.816 0.315) 3.510 7.509 ( 2.072 2.816 0.315) 3.510 7.671 ( 0.274 -2.395 -0.170) 2.417 7.671 ( 0.274 2.395 -0.170) 2.417 7.755 ( -1.563 -0.773 1.553) 2.335 7.755 ( -1.563 0.773 1.553) 2.335 8.316 ( -1.284 -0.535 3.584) 3.844 8.316 ( -1.284 0.535 3.584) 3.844 8.477 ( 0.133 -0.126 -1.550) 1.560 8.477 ( 0.133 0.126 -1.550) 1.560 8.738 ( 0.927 -9.528 -0.201) 9.575 8.738 ( 0.927 9.528 -0.201) 9.575 8.786 ( 2.441 -2.031 -1.100) 3.360 8.786 ( 2.441 2.031 -1.100) 3.360 9.036 ( 2.190 -2.874 0.330) 3.628 9.036 ( 2.190 2.874 0.330) 3.628 9.306 ( 5.519 -1.590 -0.855) 5.807 9.306 ( 5.519 1.590 -0.855) 5.807 9.702 ( 0.004 -3.103 4.109) 5.149 9.702 ( 0.004 3.103 4.109) 5.149 10.135 ( -2.613 -7.629 -3.605) 8.833 10.135 ( -2.613 7.629 -3.605) 8.833 10.292 ( -1.567 -1.002 0.336) 1.890 10.292 ( -1.567 1.002 0.336) 1.890 10.665 ( -0.687 -1.157 -6.490) 6.628 10.665 ( -0.687 1.157 -6.490) 6.628 11.093 ( 0.971 -1.347 -2.640) 3.119 11.093 ( 0.971 1.347 -2.640) 3.119 11.185 ( -0.528 -0.939 -3.245) 3.419 11.185 ( -0.528 0.939 -3.245) 3.419 11.586 ( 5.901 -2.614 1.599) 6.649 11.586 ( 5.901 2.615 1.599) 6.649 11.677 ( 2.336 -1.877 1.625) 3.409 11.677 ( 2.336 1.877 1.625) 3.409 11.991 ( -0.158 -2.282 -0.373) 2.317 11.991 ( -0.158 2.282 -0.373) 2.317 12.156 ( 6.177 -1.511 3.967) 7.495 12.156 ( 6.177 1.511 3.967) 7.495 12.457 ( 0.605 -1.688 4.912) 5.229 12.457 ( 0.605 1.688 4.912) 5.229 12.512 ( 0.487 -1.442 1.544) 2.168 12.512 ( 0.487 1.442 1.544) 2.168 12.746 ( -6.563 -1.683 -1.713) 6.989 12.746 ( -6.563 1.683 -1.713) 6.989 12.929 ( -0.825 -3.206 -2.573) 4.193 12.929 ( -0.825 3.206 -2.573) 4.193 14.389 ( -2.608 -3.940 1.675) 5.013 14.389 ( -2.608 3.940 1.675) 5.013 14.584 ( -0.960 -2.024 -2.748) 3.546 14.584 ( -0.960 2.024 -2.748) 3.546 17.064 ( 0.323 -0.196 0.974) 1.045 17.064 ( 0.323 0.196 0.974) 1.045 17.376 ( 3.792 -3.934 -2.147) 5.871 17.376 ( 3.792 3.934 -2.147) 5.871 18.188 ( -1.404 -1.378 1.732) 2.621 18.188 ( -1.404 1.378 1.732) 2.621 18.401 ( 0.827 -1.037 -1.034) 1.682 18.401 ( 0.827 1.037 -1.034) 1.682 18.863 ( 0.166 -1.384 -0.030) 1.394 18.863 ( 0.166 1.384 -0.030) 1.394 18.995 ( 0.091 -2.092 -0.917) 2.286 18.995 ( 0.091 2.092 -0.917) 2.286 19.057 ( -1.010 -3.892 1.695) 4.363 19.057 ( -1.010 3.892 1.695) 4.363 19.197 ( 2.178 -1.629 -0.029) 2.720 19.197 ( 2.178 1.629 -0.029) 2.720 19.261 ( 0.244 -4.075 -1.038) 4.212 19.261 ( 0.244 4.075 -1.038) 4.212 19.417 ( 2.847 -4.558 -0.191) 5.377 19.417 ( 2.847 4.558 -0.191) 5.377 19.531 ( 8.653 -2.216 -1.624) 9.079 19.531 ( 8.653 2.216 -1.624) 9.079 19.880 ( -0.069 -7.878 -1.095) 7.954 19.880 ( -0.069 7.878 -1.095) 7.954 20.296 ( -9.607 -2.491 2.805) 10.314 20.296 ( -9.607 2.491 2.805) 10.314 20.667 ( -6.474 -7.223 0.743) 9.728 20.667 ( -6.474 7.223 0.743) 9.728 ======================= Grid point 53 (28/48) ======================= q-point: (-0.50 -0.50 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -5.461 -7.085 -2.217) 9.216 1.054 ( -5.461 7.085 -2.217) 9.216 1.299 ( -0.903 -2.463 -2.352) 3.523 1.299 ( -0.903 2.463 -2.352) 3.523 1.507 ( 2.811 -0.924 8.067) 8.592 1.507 ( 2.811 0.924 8.067) 8.592 1.758 ( -2.736 -4.165 -2.539) 5.593 1.758 ( -2.736 4.165 -2.539) 5.593 1.840 ( -6.030 -1.535 8.511) 10.543 1.840 ( -6.030 1.535 8.511) 10.543 1.933 ( -0.937 -10.927 0.164) 10.969 1.933 ( -0.937 10.927 0.164) 10.969 2.052 ( 5.589 -7.285 3.698) 9.899 2.052 ( 5.589 7.285 3.698) 9.899 2.165 ( -0.104 -3.878 1.182) 4.055 2.165 ( -0.104 3.878 1.182) 4.055 2.285 ( -2.616 -5.922 -3.397) 7.311 2.285 ( -2.616 5.922 -3.397) 7.311 2.345 ( -2.320 -2.527 3.295) 4.756 2.345 ( -2.320 2.527 3.295) 4.756 2.467 ( -4.080 -4.438 -1.231) 6.153 2.467 ( -4.080 4.438 -1.231) 6.153 2.549 ( 1.918 -2.745 2.482) 4.168 2.549 ( 1.918 2.745 2.482) 4.168 2.704 ( 2.644 -1.775 -0.519) 3.227 2.704 ( 2.644 1.775 -0.519) 3.227 2.740 ( 1.030 -1.516 2.534) 3.127 2.740 ( 1.030 1.516 2.534) 3.127 2.839 ( 3.247 -3.233 -4.096) 6.146 2.839 ( 3.247 3.233 -4.096) 6.146 2.963 ( 0.200 -2.055 -2.487) 3.233 2.963 ( 0.200 2.055 -2.487) 3.233 3.010 ( -1.299 -4.354 0.238) 4.550 3.010 ( -1.299 4.354 0.238) 4.550 3.120 ( -1.857 -2.733 1.971) 3.848 3.120 ( -1.857 2.733 1.971) 3.848 3.152 ( -1.677 -4.041 2.992) 5.300 3.152 ( -1.677 4.041 2.992) 5.300 3.274 ( 1.188 -4.246 4.093) 6.016 3.274 ( 1.188 4.246 4.093) 6.016 3.319 ( -0.892 -4.900 7.437) 8.951 3.319 ( -0.892 4.900 7.437) 8.951 3.361 ( 2.542 -2.603 -0.064) 3.638 3.361 ( 2.542 2.603 -0.064) 3.638 3.445 ( -1.872 -6.299 0.934) 6.637 3.445 ( -1.872 6.299 0.934) 6.637 3.558 ( -3.038 -2.076 3.714) 5.228 3.558 ( -3.038 2.076 3.714) 5.228 3.650 ( -0.686 -2.137 -4.438) 4.973 3.650 ( -0.686 2.137 -4.438) 4.973 3.732 ( 3.355 -4.908 3.211) 6.757 3.732 ( 3.355 4.908 3.211) 6.757 3.822 ( 3.420 -3.544 -3.364) 5.964 3.822 ( 3.420 3.544 -3.364) 5.964 3.898 ( -1.337 -5.750 2.556) 6.433 3.898 ( -1.337 5.750 2.556) 6.433 3.971 ( -0.232 -3.026 0.296) 3.049 3.971 ( -0.232 3.026 0.296) 3.049 4.111 ( -1.234 -2.943 -3.102) 4.450 4.111 ( -1.234 2.943 -3.102) 4.450 4.150 ( -2.336 -1.551 -1.998) 3.443 4.150 ( -2.336 1.551 -1.998) 3.443 4.199 ( 2.561 -4.379 1.919) 5.423 4.199 ( 2.561 4.379 1.919) 5.423 4.325 ( 2.019 -0.438 -3.125) 3.746 4.325 ( 2.019 0.438 -3.125) 3.746 4.423 ( 1.951 -3.796 6.924) 8.134 4.423 ( 1.951 3.796 6.924) 8.134 4.492 ( -1.101 -1.494 -2.970) 3.502 4.492 ( -1.101 1.494 -2.970) 3.502 4.555 ( -0.958 -4.604 0.385) 4.718 4.555 ( -0.958 4.604 0.385) 4.718 4.637 ( -1.673 -4.409 3.050) 5.616 4.637 ( -1.673 4.409 3.050) 5.616 4.683 ( 0.987 -2.853 -5.541) 6.310 4.683 ( 0.987 2.853 -5.541) 6.310 4.939 ( 3.166 -3.882 -2.438) 5.571 4.939 ( 3.166 3.882 -2.438) 5.571 4.996 ( -0.271 -0.700 -1.834) 1.981 4.996 ( -0.271 0.700 -1.834) 1.981 5.048 ( 1.053 -4.393 -1.623) 4.800 5.048 ( 1.053 4.393 -1.623) 4.800 5.202 ( -1.720 -2.345 -2.130) 3.605 5.202 ( -1.720 2.345 -2.130) 3.605 5.236 ( 1.703 -2.799 -5.653) 6.534 5.236 ( 1.703 2.799 -5.653) 6.534 5.357 ( 2.734 -2.687 -1.097) 3.987 5.357 ( 2.734 2.687 -1.097) 3.987 5.380 ( 2.300 -3.891 -8.168) 9.335 5.380 ( 2.300 3.891 -8.168) 9.335 5.482 ( -0.685 -2.428 -0.307) 2.541 5.482 ( -0.685 2.428 -0.307) 2.541 5.591 ( 2.194 -1.105 -0.601) 2.529 5.591 ( 2.194 1.105 -0.601) 2.529 5.611 ( 1.813 -0.317 -5.524) 5.822 5.611 ( 1.813 0.317 -5.524) 5.822 5.827 ( 0.427 -3.032 -0.337) 3.081 5.827 ( 0.427 3.032 -0.337) 3.081 5.881 ( -3.978 -0.614 2.057) 4.520 5.881 ( -3.978 0.614 2.057) 4.520 5.981 ( -0.884 -3.356 1.540) 3.796 5.981 ( -0.884 3.356 1.540) 3.796 6.052 ( -3.889 -1.052 8.390) 9.307 6.052 ( -3.889 1.052 8.390) 9.307 6.166 ( -0.365 -2.466 -0.635) 2.573 6.166 ( -0.365 2.466 -0.635) 2.573 6.253 ( -1.949 -3.543 -0.143) 4.046 6.253 ( -1.949 3.543 -0.143) 4.046 6.389 ( -0.561 -5.005 2.476) 5.612 6.389 ( -0.561 5.005 2.476) 5.612 6.440 ( 1.760 -4.968 -0.479) 5.292 6.440 ( 1.761 4.968 -0.479) 5.292 6.589 ( -0.786 -1.060 2.308) 2.659 6.589 ( -0.786 1.060 2.308) 2.659 6.710 ( -1.466 -2.753 -0.085) 3.120 6.710 ( -1.466 2.753 -0.085) 3.120 6.847 ( 0.552 -2.719 2.053) 3.451 6.847 ( 0.552 2.719 2.053) 3.451 6.900 ( 0.535 -3.764 0.502) 3.834 6.900 ( 0.535 3.764 0.502) 3.834 7.040 ( -0.653 -1.329 0.331) 1.517 7.040 ( -0.653 1.329 0.331) 1.517 7.147 ( 1.053 -3.017 -3.338) 4.621 7.147 ( 1.053 3.017 -3.338) 4.621 7.455 ( -1.278 -3.348 1.976) 4.092 7.455 ( -1.278 3.348 1.976) 4.092 7.528 ( 1.067 -3.547 -0.480) 3.735 7.528 ( 1.067 3.547 -0.480) 3.735 7.688 ( -0.593 -1.923 1.376) 2.438 7.688 ( -0.593 1.923 1.376) 2.438 7.733 ( -0.187 -2.062 1.008) 2.303 7.733 ( -0.187 2.062 1.008) 2.303 8.319 ( -1.073 -0.642 4.151) 4.335 8.319 ( -1.073 0.642 4.151) 4.335 8.494 ( 2.000 -1.055 0.035) 2.262 8.494 ( 2.000 1.055 0.035) 2.262 8.732 ( -0.844 -8.151 -1.301) 8.298 8.732 ( -0.844 8.151 -1.301) 8.298 8.818 ( 1.052 -3.599 0.097) 3.751 8.818 ( 1.052 3.599 0.097) 3.751 9.084 ( 1.453 -2.864 2.516) 4.080 9.084 ( 1.453 2.864 2.516) 4.080 9.351 ( -0.103 -2.178 -1.696) 2.762 9.351 ( -0.103 2.178 -1.696) 2.762 9.717 ( -1.117 -2.925 4.503) 5.484 9.717 ( -1.117 2.925 4.503) 5.484 10.105 ( 1.341 -5.961 -3.854) 7.224 10.105 ( 1.341 5.961 -3.854) 7.224 10.256 ( -1.016 -1.893 -0.668) 2.250 10.256 ( -1.016 1.893 -0.668) 2.250 10.615 ( 0.425 -0.361 -8.471) 8.489 10.615 ( 0.425 0.361 -8.471) 8.489 11.083 ( -0.110 -1.247 -3.053) 3.300 11.083 ( -0.110 1.247 -3.053) 3.300 11.177 ( 1.166 -1.679 -2.675) 3.366 11.177 ( 1.166 1.679 -2.675) 3.366 11.634 ( -0.694 -1.258 1.722) 2.242 11.634 ( -0.694 1.258 1.722) 2.242 11.737 ( -0.143 -1.392 1.856) 2.324 11.737 ( -0.143 1.392 1.856) 2.324 12.041 ( 6.239 -2.317 5.192) 8.441 12.041 ( 6.239 2.317 5.192) 8.441 12.251 ( 0.500 -0.465 7.901) 7.931 12.251 ( 0.500 0.465 7.901) 7.931 12.444 ( -6.462 -1.600 0.550) 6.679 12.444 ( -6.462 1.600 0.550) 6.679 12.519 ( -1.861 -1.117 -0.132) 2.174 12.519 ( -1.861 1.117 -0.132) 2.174 12.652 ( 1.561 -2.016 -2.573) 3.622 12.652 ( 1.561 2.016 -2.573) 3.622 12.897 ( -0.447 -2.817 -4.356) 5.207 12.897 ( -0.447 2.817 -4.356) 5.207 14.365 ( -1.041 -3.785 1.377) 4.160 14.365 ( -1.041 3.785 1.377) 4.160 14.560 ( 0.583 -2.325 -3.475) 4.222 14.560 ( 0.583 2.325 -3.475) 4.222 17.086 ( 0.791 -0.648 2.543) 2.741 17.086 ( 0.791 0.648 2.543) 2.741 17.392 ( -0.265 -3.848 -3.334) 5.098 17.392 ( -0.265 3.848 -3.334) 5.098 18.188 ( 0.019 -1.318 2.577) 2.894 18.188 ( 0.019 1.318 2.577) 2.894 18.394 ( -0.483 -0.567 -2.243) 2.363 18.394 ( -0.483 0.567 -2.243) 2.363 18.857 ( -0.497 -1.889 -0.627) 2.051 18.857 ( -0.497 1.889 -0.627) 2.051 18.983 ( -0.307 -2.900 -1.911) 3.486 18.983 ( -0.307 2.900 -1.911) 3.486 19.054 ( -0.739 -3.888 2.169) 4.513 19.054 ( -0.739 3.888 2.169) 4.513 19.218 ( 0.098 -0.732 -0.747) 1.050 19.218 ( 0.098 0.732 -0.747) 1.050 19.242 ( -0.833 -4.062 -1.694) 4.480 19.242 ( -0.833 4.062 -1.694) 4.480 19.470 ( 1.715 -3.007 1.718) 3.865 19.470 ( 1.715 3.007 1.718) 3.865 19.663 ( 5.557 -5.400 -0.293) 7.754 19.663 ( 5.557 5.400 -0.293) 7.754 19.844 ( -2.931 -5.626 -1.425) 6.502 19.844 ( -2.931 5.626 -1.425) 6.502 20.214 ( -0.565 -3.372 4.088) 5.329 20.214 ( -0.565 3.372 4.088) 5.329 20.593 ( -1.331 -7.854 -0.517) 7.982 20.593 ( -1.331 7.854 -0.517) 7.982 ======================= Grid point 55 (29/48) ======================= q-point: (-0.33 -0.50 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -8.143 -7.950 -0.461) 11.389 0.912 ( -8.143 7.950 -0.461) 11.389 1.284 ( -2.629 -2.622 2.357) 4.398 1.284 ( -2.629 2.622 2.357) 4.398 1.510 ( -8.629 -5.127 6.556) 11.989 1.510 ( -8.629 5.127 6.556) 11.989 1.581 ( -11.689 -12.257 0.283) 16.940 1.581 ( -11.689 12.257 0.283) 16.940 1.800 ( -3.342 -1.297 4.718) 5.925 1.800 ( -3.342 1.297 4.718) 5.925 1.885 ( -3.882 -3.915 2.217) 5.943 1.885 ( -3.882 3.915 2.217) 5.943 2.105 ( -3.604 -6.642 -3.814) 8.465 2.105 ( -3.604 6.642 -3.814) 8.465 2.162 ( -0.660 -3.242 -0.694) 3.381 2.162 ( -0.660 3.242 -0.694) 3.381 2.223 ( 1.437 -2.109 5.348) 5.926 2.223 ( 1.437 2.109 5.348) 5.926 2.356 ( -4.393 -5.554 -2.746) 7.595 2.356 ( -4.393 5.554 -2.746) 7.595 2.392 ( 0.119 -3.490 3.429) 4.894 2.392 ( 0.119 3.490 3.429) 4.894 2.634 ( 1.255 -2.920 1.381) 3.465 2.634 ( 1.255 2.920 1.381) 3.465 2.696 ( -6.315 -8.783 -0.188) 10.819 2.696 ( -6.315 8.783 -0.188) 10.819 2.729 ( -2.017 -1.279 2.448) 3.420 2.729 ( -2.017 1.279 2.448) 3.420 2.836 ( 1.883 -1.889 -3.730) 4.585 2.836 ( 1.883 1.889 -3.730) 4.585 2.923 ( -1.553 -9.911 0.472) 10.043 2.923 ( -1.553 9.911 0.472) 10.043 3.027 ( 4.027 -3.088 0.830) 5.143 3.027 ( 4.027 3.088 0.830) 5.143 3.105 ( 1.652 -2.610 0.092) 3.090 3.105 ( 1.652 2.610 0.092) 3.090 3.184 ( 1.435 -5.928 1.808) 6.361 3.184 ( 1.435 5.928 1.808) 6.361 3.270 ( -1.639 -0.268 2.807) 3.261 3.270 ( -1.639 0.268 2.807) 3.261 3.338 ( 0.345 -5.905 6.132) 8.520 3.338 ( 0.345 5.905 6.132) 8.520 3.405 ( 2.238 -2.821 -1.226) 3.804 3.405 ( 2.238 2.821 -1.226) 3.804 3.464 ( 2.734 -1.897 -0.482) 3.363 3.464 ( 2.734 1.897 -0.482) 3.363 3.607 ( 3.926 -3.016 -0.352) 4.963 3.607 ( 3.926 3.016 -0.352) 4.963 3.651 ( 1.584 -2.477 4.109) 5.053 3.651 ( 1.584 2.477 4.109) 5.053 3.775 ( 0.652 -3.652 -0.192) 3.715 3.775 ( 0.652 3.652 -0.192) 3.715 3.846 ( 2.030 -1.859 2.774) 3.908 3.846 ( 2.030 1.859 2.774) 3.908 3.926 ( 2.001 -0.683 -2.597) 3.348 3.926 ( 2.001 0.683 -2.597) 3.348 4.024 ( 1.049 -5.881 0.045) 5.974 4.024 ( 1.049 5.881 0.045) 5.974 4.061 ( 0.237 -5.213 1.038) 5.321 4.061 ( 0.237 5.213 1.038) 5.321 4.147 ( 3.009 -2.393 0.772) 3.921 4.147 ( 3.009 2.393 0.772) 3.921 4.215 ( -1.984 -2.920 -1.305) 3.764 4.215 ( -1.984 2.920 -1.305) 3.764 4.291 ( -0.678 -2.680 -4.340) 5.146 4.291 ( -0.678 2.680 -4.340) 5.146 4.410 ( -6.379 -3.668 -1.262) 7.466 4.410 ( -6.379 3.668 -1.262) 7.466 4.495 ( 0.768 -1.319 1.968) 2.490 4.495 ( 0.768 1.319 1.968) 2.490 4.564 ( 2.321 -5.169 -0.290) 5.673 4.564 ( 2.321 5.169 -0.290) 5.673 4.653 ( 1.754 -4.709 0.127) 5.027 4.653 ( 1.754 4.709 0.127) 5.027 4.720 ( 4.391 -7.632 0.516) 8.820 4.720 ( 4.391 7.632 0.516) 8.820 4.899 ( -6.882 -1.162 -2.802) 7.521 4.899 ( -6.882 1.162 -2.802) 7.521 4.934 ( -3.020 -4.314 -0.474) 5.287 4.934 ( -3.020 4.314 -0.474) 5.287 5.050 ( -1.518 -5.222 -5.412) 7.672 5.050 ( -1.518 5.222 -5.412) 7.672 5.101 ( -2.251 -4.575 -0.111) 5.100 5.101 ( -2.251 4.575 -0.111) 5.100 5.274 ( 0.842 -4.149 -7.508) 8.619 5.274 ( 0.842 4.149 -7.508) 8.619 5.363 ( 2.436 -1.607 -4.135) 5.062 5.363 ( 2.436 1.607 -4.135) 5.062 5.413 ( 1.510 -4.666 -4.266) 6.500 5.413 ( 1.510 4.666 -4.266) 6.500 5.434 ( -3.950 -3.651 1.246) 5.522 5.434 ( -3.950 3.651 1.246) 5.522 5.523 ( -4.184 -1.310 -4.881) 6.561 5.523 ( -4.184 1.310 -4.881) 6.561 5.676 ( 4.608 -2.111 -2.136) 5.501 5.676 ( 4.608 2.111 -2.136) 5.501 5.795 ( -3.544 -0.386 2.737) 4.495 5.795 ( -3.544 0.386 2.737) 4.495 5.890 ( 3.323 -3.020 3.263) 5.551 5.890 ( 3.323 3.020 3.263) 5.551 5.937 ( -3.610 -4.805 0.340) 6.020 5.937 ( -3.610 4.805 0.340) 6.020 6.027 ( -2.551 -1.673 7.506) 8.103 6.027 ( -2.551 1.673 7.506) 8.103 6.183 ( 2.607 -3.644 -1.790) 4.825 6.183 ( 2.607 3.644 -1.790) 4.825 6.260 ( 1.843 -1.192 1.347) 2.575 6.260 ( 1.843 1.192 1.347) 2.575 6.429 ( 2.622 -0.752 2.430) 3.653 6.429 ( 2.622 0.752 2.430) 3.653 6.522 ( 5.768 -2.584 -1.605) 6.521 6.522 ( 5.768 2.584 -1.605) 6.521 6.626 ( 3.269 -3.703 2.335) 5.464 6.626 ( 3.269 3.703 2.335) 5.464 6.709 ( 1.565 -2.791 0.323) 3.217 6.709 ( 1.565 2.791 0.323) 3.217 6.869 ( -0.696 -4.116 1.359) 4.390 6.869 ( -0.696 4.116 1.359) 4.390 6.928 ( 3.344 -1.129 0.247) 3.538 6.928 ( 3.344 1.129 0.247) 3.538 7.077 ( 2.921 -2.203 -0.114) 3.661 7.077 ( 2.921 2.203 -0.114) 3.661 7.162 ( 3.582 -0.663 -1.832) 4.078 7.162 ( 3.582 0.663 -1.832) 4.078 7.418 ( -3.706 -2.974 1.088) 4.874 7.418 ( -3.706 2.974 1.088) 4.874 7.559 ( 1.857 -2.482 0.806) 3.203 7.559 ( 1.857 2.482 0.806) 3.203 7.653 ( -1.622 -3.553 0.583) 3.949 7.653 ( -1.622 3.553 0.583) 3.949 7.774 ( 2.391 -4.293 1.739) 5.212 7.774 ( 2.391 4.293 1.739) 5.212 8.316 ( -1.583 -1.210 2.959) 3.567 8.316 ( -1.583 1.210 2.959) 3.567 8.535 ( 2.392 -2.071 0.159) 3.168 8.535 ( 2.392 2.071 0.159) 3.168 8.706 ( -1.183 -2.789 -0.640) 3.097 8.706 ( -1.183 2.789 -0.640) 3.097 8.821 ( -0.550 -5.000 -0.591) 5.064 8.821 ( -0.550 5.000 -0.591) 5.064 9.115 ( 0.235 -2.617 3.898) 4.701 9.115 ( 0.235 2.617 3.898) 4.701 9.274 ( -6.087 -1.971 -3.763) 7.422 9.274 ( -6.087 1.971 -3.763) 7.422 9.721 ( -1.425 -2.824 6.452) 7.186 9.721 ( -1.425 2.824 6.452) 7.186 10.110 ( 1.107 -2.892 -5.811) 6.585 10.110 ( 1.107 2.892 -5.811) 6.585 10.273 ( 2.603 -5.602 1.171) 6.287 10.273 ( 2.603 5.602 1.171) 6.287 10.604 ( 4.031 -0.353 -9.056) 9.919 10.604 ( 4.031 0.353 -9.056) 9.919 11.071 ( 0.622 -1.229 -1.947) 2.386 11.071 ( 0.622 1.229 -1.947) 2.386 11.185 ( 1.599 -2.272 -3.520) 4.484 11.185 ( 1.599 2.272 -3.520) 4.484 11.609 ( -2.502 -0.990 2.342) 3.568 11.609 ( -2.502 0.990 2.342) 3.568 11.718 ( -2.593 -2.075 1.895) 3.824 11.718 ( -2.593 2.075 1.895) 3.824 12.136 ( -6.908 -3.736 0.149) 7.855 12.136 ( -6.908 3.736 0.149) 7.855 12.187 ( -6.455 -0.599 0.465) 6.499 12.187 ( -6.455 0.599 0.465) 6.499 12.334 ( -3.011 -2.805 9.803) 10.631 12.334 ( -3.011 2.805 9.803) 10.631 12.503 ( -0.369 -1.325 0.980) 1.689 12.503 ( -0.369 1.325 0.980) 1.689 12.717 ( 4.885 -2.639 -2.474) 6.079 12.717 ( 4.885 2.639 -2.474) 6.079 12.889 ( 3.015 -2.248 -4.125) 5.582 12.889 ( 3.015 2.248 -4.125) 5.582 14.372 ( 1.194 -3.318 1.122) 3.700 14.372 ( 1.194 3.318 1.122) 3.700 14.573 ( 2.798 -3.441 -2.743) 5.215 14.573 ( 2.798 3.441 -2.743) 5.215 17.107 ( -0.448 -1.590 2.559) 3.046 17.107 ( -0.448 1.590 2.559) 3.046 17.336 ( -3.520 -2.991 -3.778) 5.967 17.336 ( -3.520 2.991 -3.778) 5.967 18.215 ( 1.119 -1.122 2.972) 3.368 18.215 ( 1.119 1.122 2.972) 3.368 18.364 ( -1.274 -1.000 -2.562) 3.031 18.364 ( -1.274 1.000 -2.562) 3.031 18.842 ( -0.786 -2.180 -0.418) 2.354 18.842 ( -0.786 2.180 -0.418) 2.354 18.974 ( 0.686 -2.527 -1.806) 3.181 18.974 ( 0.686 2.527 -1.806) 3.181 19.052 ( -0.638 -3.068 2.092) 3.768 19.052 ( -0.638 3.068 2.092) 3.768 19.186 ( -2.497 -1.385 -0.928) 3.003 19.186 ( -2.497 1.385 -0.928) 3.003 19.225 ( -0.902 -2.440 -0.814) 2.725 19.225 ( -0.902 2.440 -0.814) 2.725 19.476 ( -1.890 -3.495 -0.030) 3.974 19.476 ( -1.890 3.495 -0.030) 3.974 19.621 ( -7.850 -4.526 1.002) 9.116 19.621 ( -7.850 4.526 1.002) 9.116 19.867 ( 4.583 -2.345 -2.085) 5.555 19.867 ( 4.583 2.345 -2.085) 5.555 20.287 ( 5.039 -1.233 3.477) 6.245 20.287 ( 5.039 1.233 3.477) 6.245 20.650 ( 8.221 -8.466 0.371) 11.807 20.650 ( 8.221 8.466 0.371) 11.807 ======================= Grid point 57 (30/48) ======================= q-point: (-0.17 -0.50 0.20) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -4.591 -7.742 7.700) 11.845 0.809 ( -4.591 7.742 7.700) 11.845 1.123 ( -17.842 -6.646 9.226) 21.157 1.123 ( -17.842 6.646 9.226) 21.157 1.358 ( -7.005 -2.627 7.574) 10.646 1.358 ( -7.005 2.627 7.574) 10.646 1.515 ( -1.141 -5.349 4.858) 7.316 1.515 ( -1.141 5.349 4.858) 7.316 1.729 ( -3.974 -3.407 1.036) 5.336 1.729 ( -3.974 3.407 1.036) 5.336 1.872 ( -0.598 -4.937 0.680) 5.020 1.872 ( -0.598 4.937 0.680) 5.020 2.011 ( -2.758 -3.842 -4.363) 6.434 2.011 ( -2.758 3.842 -4.363) 6.434 2.088 ( -7.070 -8.016 -0.340) 10.694 2.088 ( -7.070 8.016 -0.340) 10.694 2.212 ( -3.847 -3.870 3.389) 6.424 2.212 ( -3.847 3.870 3.389) 6.424 2.325 ( 1.159 -2.495 0.844) 2.877 2.325 ( 1.159 2.495 0.844) 2.877 2.438 ( -0.301 -3.938 4.636) 6.090 2.438 ( -0.301 3.938 4.636) 6.090 2.522 ( -3.215 -1.585 2.130) 4.170 2.522 ( -3.215 1.585 2.130) 4.170 2.674 ( -2.291 -4.728 0.658) 5.295 2.674 ( -2.291 4.728 0.658) 5.295 2.716 ( 1.828 -2.220 -2.965) 4.130 2.716 ( 1.828 2.220 -2.965) 4.130 2.838 ( -1.698 -1.742 2.521) 3.503 2.838 ( -1.698 1.742 2.521) 3.503 2.969 ( 2.848 -2.650 -0.799) 3.972 2.969 ( 2.848 2.650 -0.799) 3.972 3.077 ( 1.296 -2.214 -1.808) 3.139 3.077 ( 1.296 2.214 -1.808) 3.139 3.136 ( 1.069 -1.131 1.618) 2.245 3.136 ( 1.069 1.131 1.618) 2.245 3.242 ( 5.432 -2.647 0.320) 6.051 3.242 ( 5.432 2.647 0.320) 6.051 3.303 ( 1.283 -2.531 1.915) 3.423 3.303 ( 1.283 2.531 1.915) 3.423 3.382 ( 0.811 -3.858 -0.472) 3.971 3.382 ( 0.811 3.858 -0.472) 3.971 3.422 ( 0.456 -2.615 3.350) 4.274 3.422 ( 0.456 2.615 3.350) 4.274 3.513 ( 2.948 -1.635 0.434) 3.398 3.513 ( 2.948 1.635 0.434) 3.398 3.576 ( -2.555 -2.251 -7.438) 8.181 3.576 ( -2.555 2.251 -7.438) 8.181 3.734 ( 5.277 -0.579 -0.172) 5.312 3.734 ( 5.277 0.579 -0.172) 5.312 3.804 ( -3.877 -3.665 -2.708) 5.983 3.804 ( -3.877 3.665 -2.708) 5.983 3.860 ( 2.085 -1.747 2.501) 3.695 3.860 ( 2.085 1.747 2.501) 3.695 3.964 ( 2.302 -4.141 -2.124) 5.192 3.964 ( 2.302 4.141 -2.124) 5.192 3.987 ( 0.641 -2.474 1.478) 2.952 3.987 ( 0.641 2.474 1.478) 2.952 4.069 ( -3.764 -1.209 -2.389) 4.619 4.069 ( -3.764 1.209 -2.389) 4.619 4.144 ( -1.715 -6.116 -2.191) 6.719 4.144 ( -1.715 6.116 -2.191) 6.719 4.205 ( -0.418 -5.611 3.123) 6.435 4.205 ( -0.418 5.611 3.123) 6.435 4.316 ( 0.629 -0.665 7.306) 7.363 4.316 ( 0.629 0.665 7.306) 7.363 4.357 ( 2.703 -4.365 -1.407) 5.324 4.357 ( 2.703 4.365 -1.407) 5.324 4.508 ( 1.030 -3.334 1.829) 3.939 4.508 ( 1.030 3.334 1.829) 3.939 4.587 ( 1.733 -4.864 -3.767) 6.391 4.587 ( 1.733 4.864 -3.767) 6.391 4.661 ( -0.860 -5.064 -1.142) 5.262 4.661 ( -0.860 5.064 -1.142) 5.262 4.751 ( -1.999 -3.760 -2.614) 4.997 4.751 ( -1.999 3.760 -2.614) 4.997 4.807 ( -0.396 -5.001 -3.112) 5.904 4.807 ( -0.396 5.001 -3.112) 5.904 4.876 ( -1.755 -1.146 -6.923) 7.233 4.876 ( -1.755 1.146 -6.923) 7.233 4.959 ( -3.109 -3.931 3.768) 6.271 4.959 ( -3.109 3.931 3.768) 6.271 5.127 ( -0.473 -3.115 -4.650) 5.616 5.127 ( -0.473 3.115 -4.650) 5.616 5.194 ( -0.787 -2.884 2.131) 3.671 5.194 ( -0.787 2.884 2.131) 3.671 5.290 ( -7.055 -3.116 -1.750) 7.909 5.290 ( -7.055 3.116 -1.750) 7.909 5.386 ( 2.202 -1.535 -6.429) 6.967 5.386 ( 2.202 1.535 -6.429) 6.967 5.429 ( 1.052 -3.098 -6.772) 7.521 5.429 ( 1.052 3.098 -6.772) 7.521 5.480 ( -1.081 -3.230 1.877) 3.889 5.480 ( -1.081 3.230 1.877) 3.889 5.675 ( -2.406 -1.849 -1.551) 3.408 5.675 ( -2.406 1.849 -1.551) 3.408 5.797 ( 0.606 -2.735 4.177) 5.029 5.797 ( 0.606 2.735 4.177) 5.029 5.886 ( -1.307 -0.960 4.440) 4.727 5.886 ( -1.307 0.960 4.440) 4.727 6.004 ( 0.571 -5.639 8.364) 10.104 6.004 ( 0.571 5.639 8.364) 10.104 6.073 ( 6.564 -2.911 -2.176) 7.503 6.073 ( 6.564 2.911 -2.176) 7.503 6.210 ( 0.807 -1.406 -0.113) 1.625 6.210 ( 0.807 1.406 -0.113) 1.625 6.321 ( 4.556 -0.613 1.267) 4.769 6.321 ( 4.556 0.613 1.267) 4.769 6.457 ( -0.162 -1.695 0.142) 1.709 6.457 ( -0.162 1.695 0.142) 1.709 6.597 ( 2.450 -1.325 0.518) 2.833 6.597 ( 2.450 1.325 0.518) 2.833 6.679 ( 1.737 -4.225 0.052) 4.569 6.679 ( 1.737 4.225 0.052) 4.569 6.777 ( 4.075 -1.950 2.286) 5.063 6.777 ( 4.075 1.950 2.286) 5.063 6.847 ( -1.782 -3.583 0.993) 4.123 6.847 ( -1.782 3.583 0.993) 4.123 6.984 ( 2.074 -0.875 0.177) 2.258 6.984 ( 2.074 0.875 0.177) 2.258 7.097 ( 0.823 -1.367 -1.738) 2.360 7.097 ( 0.823 1.367 -1.738) 2.360 7.234 ( 1.798 -3.948 0.668) 4.389 7.234 ( 1.798 3.948 0.668) 4.389 7.377 ( 0.191 -2.271 1.078) 2.521 7.377 ( 0.191 2.271 1.078) 2.521 7.592 ( 1.068 -2.001 0.299) 2.288 7.592 ( 1.068 2.001 0.299) 2.288 7.661 ( 1.849 -6.177 1.438) 6.606 7.661 ( 1.849 6.177 1.438) 6.606 7.808 ( -0.629 -6.341 0.820) 6.425 7.808 ( -0.629 6.341 0.820) 6.425 8.307 ( -0.097 -0.351 1.468) 1.512 8.307 ( -0.097 0.351 1.468) 1.512 8.562 ( 0.148 -1.266 -0.070) 1.276 8.562 ( 0.148 1.266 -0.070) 1.276 8.691 ( 0.039 -1.275 -1.258) 1.791 8.691 ( 0.039 1.275 -1.258) 1.791 8.805 ( -0.161 -4.058 -1.589) 4.361 8.805 ( -0.161 4.058 -1.589) 4.361 9.099 ( -2.834 -1.075 -2.510) 3.935 9.099 ( -2.834 1.075 -2.510) 3.935 9.184 ( -1.120 -2.347 -0.885) 2.747 9.184 ( -1.120 2.347 -0.885) 2.747 9.737 ( -2.236 -2.014 8.788) 9.289 9.737 ( -2.236 2.014 8.788) 9.289 10.079 ( 0.197 -1.168 -5.295) 5.426 10.079 ( 0.197 1.168 -5.295) 5.426 10.335 ( 2.143 -7.956 3.017) 8.774 10.335 ( 2.143 7.956 3.017) 8.774 10.654 ( 6.746 -1.469 -8.932) 11.289 10.654 ( 6.746 1.469 -8.932) 11.289 11.079 ( 1.094 -0.487 -1.875) 2.225 11.079 ( 1.094 0.487 -1.875) 2.225 11.196 ( 2.293 -2.440 -4.271) 5.427 11.196 ( 2.293 2.440 -4.271) 5.427 11.555 ( -7.745 -3.183 -1.948) 8.597 11.555 ( -7.745 3.183 -1.948) 8.597 11.648 ( -2.875 -2.010 1.459) 3.799 11.648 ( -2.875 2.010 1.459) 3.799 11.932 ( -6.588 -1.531 -0.646) 6.794 11.932 ( -6.588 1.531 -0.646) 6.794 12.109 ( -6.855 -3.447 0.445) 7.686 12.109 ( -6.855 3.447 0.445) 7.686 12.350 ( -2.664 -2.819 11.980) 12.592 12.350 ( -2.664 2.819 11.980) 12.592 12.509 ( -0.067 -0.948 1.717) 1.962 12.509 ( -0.067 0.948 1.717) 1.962 12.779 ( 3.647 -4.334 -2.070) 6.031 12.779 ( 3.647 4.334 -2.070) 6.031 12.945 ( 3.948 -1.991 -1.874) 4.802 12.945 ( 3.948 1.991 -1.874) 4.802 14.417 ( 2.763 -1.835 1.055) 3.480 14.417 ( 2.763 1.835 1.055) 3.480 14.617 ( 2.940 -4.357 -1.643) 5.507 14.617 ( 2.940 4.357 -1.643) 5.507 17.095 ( -1.540 -2.186 0.787) 2.787 17.095 ( -1.540 2.186 0.787) 2.787 17.251 ( -3.494 -1.201 -2.113) 4.256 17.251 ( -3.494 1.201 -2.113) 4.256 18.249 ( 0.671 -1.184 2.442) 2.795 18.249 ( 0.671 1.184 2.442) 2.795 18.332 ( -0.622 -1.034 -1.476) 1.907 18.332 ( -0.622 1.034 -1.476) 1.907 18.827 ( -0.742 -1.745 0.304) 1.921 18.827 ( -0.742 1.745 0.304) 1.921 18.989 ( 1.609 -1.514 -1.247) 2.537 18.989 ( 1.609 1.514 -1.247) 2.537 19.060 ( 0.316 -1.828 1.709) 2.522 19.060 ( 0.316 1.828 1.709) 2.522 19.138 ( -2.282 -1.420 0.276) 2.702 19.138 ( -2.282 1.420 0.276) 2.702 19.199 ( -1.290 -1.406 -0.642) 2.013 19.199 ( -1.290 1.406 -0.642) 2.013 19.406 ( -4.981 -1.880 -0.311) 5.333 19.406 ( -4.981 1.880 -0.311) 5.333 19.512 ( -4.246 -4.332 -0.948) 6.140 19.512 ( -4.246 4.332 -0.948) 6.140 19.903 ( 1.241 -4.152 -2.682) 5.096 19.903 ( 1.241 4.152 -2.682) 5.096 20.400 ( 5.022 -3.189 3.148) 6.731 20.400 ( 5.022 3.189 3.148) 6.731 20.838 ( 10.389 -4.014 -0.124) 11.138 20.838 ( 10.389 4.014 -0.124) 11.138 ======================= Grid point 65 (31/48) ======================= q-point: ( 0.00 0.00 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -2.327 0.000 15.808) 15.978 0.889 ( -2.257 0.000 6.359) 6.747 1.001 ( -0.111 0.000 2.257) 2.260 1.024 ( 1.605 0.000 -0.883) 1.831 1.286 ( 3.988 0.000 3.544) 5.336 1.434 ( 8.054 0.000 -6.323) 10.240 1.554 ( 3.860 0.000 0.195) 3.865 1.616 ( -4.759 0.000 -5.316) 7.135 1.717 ( -2.468 0.000 1.682) 2.986 1.717 ( -3.366 0.000 5.146) 6.149 1.993 ( -1.431 0.000 17.758) 17.816 2.021 ( -4.865 0.000 21.987) 22.519 2.027 ( 3.061 0.000 3.489) 4.641 2.114 ( -2.643 0.000 2.251) 3.471 2.139 ( 6.027 0.000 -0.736) 6.072 2.143 ( -2.613 0.000 12.979) 13.240 2.169 ( 2.054 0.000 5.803) 6.155 2.274 ( -1.040 0.000 -7.894) 7.962 2.293 ( -4.075 0.000 8.159) 9.120 2.407 ( -6.254 0.000 -1.118) 6.353 2.419 ( 9.202 0.000 0.954) 9.252 2.455 ( 3.598 0.000 3.321) 4.896 2.554 ( -1.401 0.000 2.716) 3.056 2.646 ( -0.084 0.000 -3.112) 3.113 2.658 ( -2.757 0.000 -6.816) 7.353 2.695 ( -5.316 0.000 4.244) 6.802 2.700 ( -6.361 0.000 -13.135) 14.595 2.810 ( -2.371 0.000 -6.605) 7.018 2.816 ( 6.129 0.000 3.614) 7.115 2.866 ( -0.864 0.000 -2.663) 2.800 2.883 ( -0.404 0.000 1.673) 1.721 2.987 ( 0.828 0.000 -4.196) 4.277 3.018 ( -2.745 0.000 -2.075) 3.441 3.021 ( 9.441 0.000 -4.620) 10.511 3.066 ( -3.433 0.000 -3.860) 5.166 3.085 ( 0.292 0.000 -4.361) 4.371 3.143 ( 3.368 0.000 2.276) 4.064 3.163 ( -5.812 0.000 10.274) 11.804 3.238 ( -3.142 0.000 0.487) 3.179 3.267 ( -0.880 0.000 0.142) 0.892 3.295 ( -4.951 0.000 -3.608) 6.126 3.375 ( 2.481 0.000 -1.810) 3.071 3.450 ( -0.040 0.000 -2.211) 2.211 3.487 ( -0.488 0.000 -7.033) 7.050 3.502 ( 0.685 0.000 -1.432) 1.588 3.526 ( -0.945 0.000 -2.262) 2.452 3.555 ( -0.543 0.000 -3.221) 3.266 3.607 ( -1.977 0.000 -2.486) 3.176 3.679 ( 2.733 0.000 -6.682) 7.219 3.687 ( -0.654 0.000 -3.298) 3.362 3.740 ( -3.768 0.000 1.917) 4.228 3.796 ( 5.008 0.000 3.771) 6.269 3.809 ( 9.239 0.000 -1.472) 9.356 3.857 ( -2.120 0.000 -1.736) 2.740 3.909 ( 5.046 0.000 0.537) 5.075 3.931 ( -3.700 0.000 -0.047) 3.700 3.957 ( -0.584 0.000 2.852) 2.911 4.023 ( -0.201 0.000 -1.520) 1.533 4.070 ( -2.213 0.000 -3.590) 4.217 4.075 ( -0.710 0.000 -1.194) 1.389 4.108 ( 0.874 0.000 6.214) 6.275 4.114 ( -8.630 0.000 -0.189) 8.632 4.165 ( 3.918 0.000 -2.916) 4.884 4.212 ( 0.367 0.000 4.101) 4.117 4.227 ( -3.557 0.000 -3.945) 5.312 4.299 ( 8.949 0.000 -0.191) 8.951 4.388 ( -4.106 0.000 0.181) 4.110 4.427 ( -3.466 0.000 1.041) 3.619 4.451 ( 6.596 0.000 3.029) 7.259 4.503 ( 1.120 0.000 1.132) 1.592 4.551 ( 5.960 0.000 1.848) 6.240 4.571 ( 3.004 0.000 0.275) 3.016 4.621 ( -1.955 0.000 -0.672) 2.068 4.651 ( -1.129 0.000 1.845) 2.163 4.727 ( -1.946 0.000 -3.331) 3.858 4.747 ( 0.824 0.000 4.485) 4.560 4.765 ( -2.295 0.000 -0.196) 2.304 4.781 ( 0.119 0.000 -3.092) 3.094 4.865 ( 0.490 0.000 3.093) 3.132 4.929 ( 8.084 0.000 -1.815) 8.286 4.942 ( -4.285 0.000 -0.500) 4.314 4.983 ( -0.701 0.000 -6.972) 7.007 5.053 ( 5.990 0.000 -3.948) 7.174 5.057 ( -1.141 0.000 -2.881) 3.099 5.187 ( -5.851 0.000 1.016) 5.939 5.199 ( 5.762 0.000 0.330) 5.772 5.243 ( 3.797 0.000 4.273) 5.716 5.278 ( -0.346 0.000 -0.166) 0.384 5.345 ( -1.768 0.000 2.335) 2.929 5.354 ( -1.794 0.000 -4.631) 4.966 5.462 ( -2.031 0.000 -0.420) 2.074 5.486 ( 0.686 0.000 -2.285) 2.386 5.495 ( -2.256 0.000 7.101) 7.450 5.622 ( -3.829 0.000 2.002) 4.321 5.651 ( 1.091 0.000 -1.084) 1.538 5.692 ( -0.930 0.000 3.909) 4.018 5.707 ( -2.361 0.000 -8.136) 8.472 5.766 ( 0.796 0.000 -6.909) 6.955 5.866 ( -8.227 0.000 4.025) 9.159 5.963 ( 2.267 0.000 -1.844) 2.922 6.015 ( -1.525 0.000 -0.361) 1.567 6.033 ( 0.108 0.000 2.796) 2.798 6.190 ( 7.227 0.000 1.139) 7.316 6.196 ( -3.156 0.000 -0.704) 3.233 6.267 ( 2.476 0.000 2.237) 3.337 6.278 ( 1.625 0.000 0.432) 1.682 6.417 ( -3.686 0.000 0.888) 3.792 6.432 ( 1.254 0.000 -1.594) 2.028 6.456 ( 4.974 0.000 3.039) 5.829 6.529 ( -4.099 0.000 -2.893) 5.017 6.615 ( 0.822 0.000 1.491) 1.702 6.617 ( 3.156 0.000 1.181) 3.370 6.694 ( -4.997 0.000 0.917) 5.080 6.713 ( -0.704 0.000 -0.897) 1.140 6.802 ( -1.283 0.000 1.803) 2.213 6.833 ( 2.768 0.000 -0.433) 2.801 6.985 ( 0.572 0.000 3.682) 3.727 7.019 ( -0.142 0.000 -0.344) 0.373 7.042 ( -0.201 0.000 2.182) 2.192 7.045 ( 2.432 0.000 4.031) 4.708 7.109 ( 0.896 0.000 -0.627) 1.093 7.124 ( -2.328 0.000 -0.833) 2.472 7.207 ( 2.160 0.000 7.968) 8.256 7.317 ( -0.704 0.000 -2.241) 2.349 7.343 ( -0.032 0.000 1.455) 1.456 7.408 ( -4.395 0.000 -5.080) 6.717 7.433 ( -0.514 0.000 1.268) 1.368 7.442 ( 0.685 0.000 0.400) 0.793 7.565 ( -1.775 0.000 -0.763) 1.932 7.575 ( 0.090 0.000 -1.401) 1.404 7.786 ( 4.285 0.000 3.129) 5.306 7.883 ( -7.205 0.000 -7.039) 10.073 8.377 ( 1.540 0.000 3.618) 3.933 8.415 ( 3.701 0.000 4.364) 5.722 8.457 ( -3.024 0.000 -4.541) 5.456 8.509 ( -3.226 0.000 -5.137) 6.066 8.690 ( 0.822 0.000 -0.155) 0.836 8.712 ( -0.975 0.000 -2.666) 2.839 8.815 ( -7.203 0.000 4.884) 8.702 8.889 ( 2.790 0.000 -1.143) 3.015 8.943 ( 1.445 0.000 -0.654) 1.586 8.961 ( 5.132 0.000 -3.905) 6.448 9.149 ( -1.787 0.000 0.495) 1.855 9.171 ( 1.635 0.000 -1.828) 2.452 9.824 ( -10.866 0.000 7.592) 13.255 9.903 ( -4.050 0.000 6.389) 7.564 9.957 ( 9.143 0.000 -6.042) 10.958 10.005 ( 2.736 0.000 -4.298) 5.095 10.279 ( 1.616 0.000 6.450) 6.649 10.441 ( -0.549 0.000 -10.367) 10.382 10.561 ( 5.266 0.000 2.920) 6.022 10.627 ( -4.345 0.000 -4.115) 5.984 11.060 ( 2.756 0.000 -0.939) 2.912 11.065 ( -1.445 0.000 -1.327) 1.962 11.131 ( 1.353 0.000 -0.765) 1.555 11.145 ( 0.297 0.000 -2.305) 2.324 11.527 ( 10.913 0.000 5.284) 12.125 11.554 ( -5.102 0.000 0.510) 5.127 11.558 ( 5.197 0.000 0.150) 5.199 11.612 ( -10.629 0.000 -3.326) 11.137 11.887 ( 1.665 0.000 1.124) 2.009 11.904 ( -0.592 0.000 -0.615) 0.854 11.994 ( 2.936 0.000 4.117) 5.056 12.067 ( -2.898 0.000 -3.401) 4.468 12.529 ( -1.069 0.000 1.263) 1.655 12.530 ( 0.432 0.000 2.158) 2.201 12.576 ( -0.828 0.000 2.739) 2.861 12.592 ( -0.057 0.000 1.456) 1.457 12.721 ( 3.900 0.000 4.636) 6.058 12.816 ( -0.877 0.000 -5.022) 5.098 12.944 ( -0.396 0.000 3.181) 3.206 13.013 ( 1.493 0.000 -3.016) 3.366 14.351 ( 2.853 0.000 3.185) 4.276 14.413 ( -2.704 0.000 -3.200) 4.189 14.550 ( 1.199 0.000 4.774) 4.922 14.642 ( -1.205 0.000 -4.589) 4.744 17.053 ( -2.427 0.000 0.859) 2.574 17.079 ( 4.652 0.000 -1.748) 4.969 17.201 ( -5.772 0.000 3.066) 6.536 17.247 ( 6.862 0.000 -1.700) 7.069 18.162 ( -2.787 0.000 0.064) 2.788 18.170 ( 1.299 0.000 -0.727) 1.488 18.381 ( -0.367 0.000 1.793) 1.831 18.408 ( 1.692 0.000 -0.916) 1.924 18.861 ( 1.554 0.000 2.812) 3.213 18.884 ( -1.498 0.000 2.048) 2.537 18.913 ( -0.608 0.000 -2.852) 2.916 18.941 ( 1.927 0.000 -3.575) 4.061 19.068 ( 3.571 0.000 -0.053) 3.572 19.069 ( -4.131 0.000 -0.127) 4.133 19.139 ( -2.586 0.000 1.011) 2.776 19.139 ( 2.871 0.000 2.338) 3.703 19.201 ( 0.465 0.000 4.743) 4.766 19.261 ( 3.814 0.000 1.473) 4.088 19.301 ( -2.292 0.000 -0.331) 2.316 19.361 ( 2.566 0.000 -4.557) 5.230 19.382 ( 1.554 0.000 -0.044) 1.554 19.393 ( -6.696 0.000 -4.209) 7.909 19.793 ( -4.566 0.000 6.715) 8.121 19.944 ( 3.238 0.000 -8.611) 9.200 20.463 ( -0.937 0.000 7.236) 7.297 20.564 ( 1.362 0.000 -2.725) 3.046 20.985 ( 2.376 0.000 0.590) 2.448 21.035 ( -4.749 0.000 -3.975) 6.193 ======================= Grid point 66 (32/48) ======================= q-point: ( 0.17 0.00 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 5.077 0.000 14.767) 15.616 0.973 ( 8.142 0.000 -2.492) 8.515 1.056 ( 4.791 0.000 0.529) 4.820 1.075 ( 4.925 0.000 0.061) 4.926 1.337 ( 0.964 0.000 -1.559) 1.833 1.493 ( -5.162 0.000 -4.033) 6.551 1.498 ( 7.706 0.000 -16.138) 17.883 1.641 ( 6.040 0.000 4.422) 7.486 1.790 ( 6.232 0.000 -0.437) 6.247 1.790 ( 5.449 0.000 11.828) 13.023 1.949 ( -2.181 0.000 3.662) 4.262 2.014 ( -3.432 0.000 -2.079) 4.012 2.078 ( -1.666 0.000 -0.400) 1.714 2.107 ( 0.415 0.000 10.551) 10.559 2.146 ( -6.308 0.000 3.212) 7.078 2.204 ( 1.472 0.000 -3.677) 3.961 2.208 ( -1.203 0.000 -3.369) 3.577 2.281 ( 5.439 0.000 4.576) 7.108 2.364 ( 3.272 0.000 -3.973) 5.147 2.455 ( 2.385 0.000 30.719) 30.811 2.495 ( -3.810 0.000 -7.593) 8.495 2.548 ( -1.132 0.000 7.195) 7.284 2.550 ( -2.545 0.000 3.555) 4.373 2.616 ( -3.475 0.000 -6.766) 7.606 2.619 ( 10.957 0.000 1.266) 11.030 2.650 ( 9.029 0.000 10.140) 13.578 2.732 ( 5.285 0.000 -0.888) 5.359 2.796 ( -0.787 0.000 -3.578) 3.664 2.819 ( 4.945 0.000 -3.429) 6.018 2.863 ( -2.740 0.000 2.499) 3.708 2.918 ( 2.479 0.000 -0.641) 2.560 2.918 ( -1.648 0.000 -8.542) 8.700 2.983 ( 1.001 0.000 -4.886) 4.988 3.022 ( -4.944 0.000 -2.552) 5.563 3.030 ( -0.297 0.000 -1.119) 1.158 3.099 ( -3.690 0.000 8.467) 9.236 3.124 ( 0.632 0.000 1.963) 2.062 3.187 ( 1.342 0.000 -0.254) 1.365 3.224 ( 4.288 0.000 0.219) 4.293 3.263 ( 0.730 0.000 4.107) 4.171 3.287 ( -1.371 0.000 5.762) 5.923 3.390 ( -3.692 0.000 -0.407) 3.714 3.399 ( -4.002 0.000 0.827) 4.086 3.459 ( 2.884 0.000 -4.461) 5.312 3.467 ( -2.194 0.000 -0.198) 2.203 3.472 ( -1.343 0.000 -2.325) 2.685 3.507 ( -0.812 0.000 -0.007) 0.812 3.581 ( -0.618 0.000 -1.097) 1.259 3.650 ( -4.079 0.000 -2.027) 4.555 3.667 ( -3.619 0.000 -2.729) 4.533 3.702 ( 0.963 0.000 -0.786) 1.243 3.799 ( -0.997 0.000 -4.308) 4.422 3.807 ( -5.311 0.000 -1.974) 5.667 3.847 ( -3.862 0.000 -1.205) 4.046 3.862 ( -5.143 0.000 -6.338) 8.163 3.923 ( -4.990 0.000 -0.068) 4.990 3.977 ( 3.254 0.000 -1.212) 3.472 3.999 ( 0.772 0.000 5.951) 6.001 4.038 ( 1.491 0.000 0.333) 1.528 4.046 ( 2.005 0.000 6.399) 6.706 4.111 ( -5.817 0.000 6.428) 8.670 4.118 ( -1.234 0.000 -2.266) 2.580 4.225 ( 4.107 0.000 0.211) 4.113 4.262 ( 7.800 0.000 -9.316) 12.151 4.310 ( 8.741 0.000 -0.734) 8.772 4.335 ( 2.960 0.000 -1.645) 3.387 4.454 ( 3.174 0.000 -1.861) 3.680 4.472 ( 0.252 0.000 -5.438) 5.444 4.486 ( 8.339 0.000 4.203) 9.338 4.536 ( 0.102 0.000 0.157) 0.188 4.573 ( -0.715 0.000 0.720) 1.014 4.575 ( -3.711 0.000 3.070) 4.816 4.646 ( 5.494 0.000 -3.860) 6.714 4.647 ( -4.450 0.000 4.001) 5.984 4.715 ( 7.375 0.000 -8.046) 10.914 4.737 ( -2.858 0.000 0.473) 2.897 4.763 ( 1.058 0.000 -1.259) 1.644 4.772 ( -0.872 0.000 4.535) 4.618 4.833 ( -0.782 0.000 -4.484) 4.551 4.909 ( -0.926 0.000 -8.655) 8.704 4.975 ( 4.405 0.000 2.037) 4.853 5.008 ( 3.069 0.000 -3.857) 4.929 5.069 ( -1.998 0.000 -1.773) 2.671 5.098 ( 2.925 0.000 -4.223) 5.137 5.151 ( 2.439 0.000 -2.176) 3.269 5.215 ( -3.026 0.000 3.182) 4.391 5.236 ( -1.853 0.000 -1.128) 2.170 5.343 ( 3.266 0.000 -1.095) 3.445 5.344 ( 2.168 0.000 3.048) 3.741 5.354 ( 5.978 0.000 -0.095) 5.978 5.440 ( -0.963 0.000 1.385) 1.687 5.494 ( -3.349 0.000 9.463) 10.038 5.506 ( 2.885 0.000 1.037) 3.066 5.613 ( -1.171 0.000 6.476) 6.581 5.638 ( -0.628 0.000 -6.710) 6.739 5.677 ( 1.200 0.000 -1.770) 2.139 5.725 ( -8.169 0.000 3.185) 8.768 5.754 ( 4.513 0.000 5.864) 7.400 5.783 ( 1.701 0.000 -3.083) 3.521 5.887 ( -7.266 0.000 2.304) 7.622 6.024 ( -0.571 0.000 -1.700) 1.793 6.024 ( -8.524 0.000 3.533) 9.227 6.118 ( 1.217 0.000 -2.530) 2.808 6.195 ( -4.829 0.000 1.471) 5.048 6.248 ( -3.607 0.000 -0.119) 3.609 6.281 ( -0.827 0.000 -1.894) 2.067 6.355 ( -1.137 0.000 0.375) 1.197 6.429 ( -3.501 0.000 -0.776) 3.586 6.465 ( 0.362 0.000 -4.879) 4.893 6.543 ( -4.419 0.000 0.023) 4.419 6.623 ( -4.466 0.000 -0.455) 4.489 6.632 ( 2.576 0.000 0.679) 2.664 6.644 ( -6.230 0.000 -2.049) 6.559 6.678 ( 5.566 0.000 6.531) 8.581 6.776 ( -0.861 0.000 1.033) 1.345 6.830 ( -1.591 0.000 -1.191) 1.987 6.970 ( -8.172 0.000 -0.496) 8.187 6.990 ( -6.655 0.000 -2.117) 6.983 7.031 ( 0.257 0.000 3.285) 3.295 7.081 ( -1.477 0.000 1.220) 1.915 7.099 ( 6.392 0.000 -1.869) 6.660 7.122 ( -2.184 0.000 1.858) 2.867 7.176 ( -9.115 0.000 -4.619) 10.219 7.264 ( -3.912 0.000 12.096) 12.713 7.352 ( 1.626 0.000 0.580) 1.726 7.364 ( 1.727 0.000 1.167) 2.084 7.459 ( 2.039 0.000 0.540) 2.109 7.503 ( 4.644 0.000 -1.194) 4.795 7.540 ( -1.277 0.000 -1.489) 1.962 7.582 ( 1.121 0.000 1.262) 1.688 7.714 ( -6.921 0.000 -2.389) 7.322 7.829 ( -1.350 0.000 3.356) 3.617 8.388 ( -1.354 0.000 -3.602) 3.848 8.410 ( -0.917 0.000 4.874) 4.959 8.433 ( -1.286 0.000 -4.238) 4.429 8.463 ( -1.066 0.000 6.017) 6.111 8.657 ( -2.886 0.000 -0.118) 2.888 8.697 ( 0.317 0.000 -0.157) 0.354 8.772 ( 0.507 0.000 4.702) 4.729 8.930 ( 2.671 0.000 -0.301) 2.688 9.012 ( 5.804 0.000 -0.223) 5.808 9.115 ( 11.896 0.000 -7.006) 13.806 9.152 ( 2.080 0.000 0.944) 2.284 9.202 ( 2.371 0.000 -1.807) 2.982 9.732 ( -3.939 0.000 7.944) 8.867 9.865 ( -2.966 0.000 5.779) 6.495 9.986 ( -2.036 0.000 -1.811) 2.724 10.075 ( 5.596 0.000 -6.560) 8.623 10.372 ( 2.414 0.000 3.146) 3.965 10.407 ( 2.270 0.000 -7.925) 8.243 10.518 ( -4.478 0.000 -5.721) 7.265 10.635 ( -0.376 0.000 1.345) 1.397 11.040 ( -0.160 0.000 -0.825) 0.840 11.096 ( 1.252 0.000 -2.168) 2.503 11.127 ( -1.060 0.000 -1.406) 1.761 11.134 ( 0.463 0.000 -2.212) 2.260 11.421 ( -0.450 0.000 -0.922) 1.026 11.564 ( 4.108 0.000 1.145) 4.265 11.592 ( 0.269 0.000 0.436) 0.512 11.714 ( 3.237 0.000 2.985) 4.403 11.898 ( 0.245 0.000 -1.334) 1.356 11.976 ( 9.810 0.000 2.553) 10.137 12.038 ( -0.023 0.000 -3.575) 3.575 12.136 ( 8.286 0.000 4.031) 9.214 12.512 ( -1.806 0.000 1.844) 2.581 12.545 ( 0.548 0.000 0.192) 0.581 12.568 ( -1.575 0.000 2.438) 2.903 12.594 ( -0.516 0.000 1.111) 1.225 12.762 ( -0.942 0.000 -6.518) 6.586 12.779 ( -0.508 0.000 0.901) 1.034 12.906 ( -5.870 0.000 2.174) 6.260 12.991 ( -1.327 0.000 -4.215) 4.419 14.345 ( -1.831 0.000 -3.886) 4.296 14.390 ( -0.814 0.000 2.766) 2.884 14.575 ( -1.599 0.000 4.492) 4.768 14.581 ( -2.268 0.000 -4.572) 5.104 17.048 ( 1.574 0.000 1.274) 2.025 17.138 ( -2.704 0.000 2.460) 3.655 17.170 ( 6.444 0.000 -4.637) 7.939 17.383 ( 8.861 0.000 -4.699) 10.029 18.130 ( -0.819 0.000 1.368) 1.595 18.186 ( -0.050 0.000 1.137) 1.138 18.371 ( -1.006 0.000 0.201) 1.026 18.404 ( -1.224 0.000 -2.231) 2.545 18.869 ( -1.498 0.000 1.766) 2.316 18.879 ( -1.045 0.000 -2.723) 2.917 18.904 ( 1.506 0.000 1.750) 2.309 18.965 ( 2.903 0.000 -4.183) 5.092 18.990 ( -3.778 0.000 -0.113) 3.780 19.076 ( -3.337 0.000 -0.614) 3.392 19.131 ( 2.313 0.000 1.260) 2.634 19.188 ( 1.634 0.000 -0.188) 1.644 19.265 ( 2.006 0.000 -0.279) 2.026 19.281 ( 1.678 0.000 5.561) 5.809 19.286 ( -2.256 0.000 -4.869) 5.366 19.388 ( 9.513 0.000 -1.140) 9.581 19.420 ( 5.135 0.000 -0.740) 5.188 19.478 ( 6.947 0.000 3.199) 7.648 19.762 ( -3.243 0.000 8.550) 9.144 19.957 ( 3.075 0.000 -7.433) 8.044 20.431 ( -6.821 0.000 4.466) 8.154 20.506 ( -5.062 0.000 -3.212) 5.995 20.841 ( -13.742 0.000 2.771) 14.018 20.961 ( -5.954 0.000 0.657) 5.990 ======================= Grid point 67 (33/48) ======================= q-point: ( 0.33 0.00 -0.60) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 0.920 0.000 9.613) 9.657 1.052 ( -0.796 0.000 3.829) 3.911 1.146 ( 4.173 0.000 -0.569) 4.212 1.219 ( 12.060 0.000 -2.780) 12.377 1.308 ( 1.259 0.000 -12.833) 12.895 1.471 ( 2.593 0.000 4.638) 5.314 1.617 ( 13.553 0.000 -10.453) 17.115 1.742 ( 1.825 0.000 -0.427) 1.874 1.864 ( -2.440 0.000 -5.260) 5.799 1.913 ( -1.431 0.000 -0.541) 1.530 1.918 ( -4.748 0.000 -1.569) 5.000 1.942 ( 0.435 0.000 12.760) 12.767 2.015 ( 3.384 0.000 -0.888) 3.498 2.130 ( -0.500 0.000 -1.191) 1.292 2.171 ( 1.671 0.000 -3.303) 3.702 2.173 ( 2.755 0.000 -5.843) 6.460 2.189 ( -3.251 0.000 17.103) 17.410 2.362 ( -4.800 0.000 3.508) 5.945 2.416 ( -0.274 0.000 2.777) 2.790 2.442 ( -2.169 0.000 4.354) 4.865 2.486 ( 10.598 0.000 -4.201) 11.400 2.563 ( 1.378 0.000 4.055) 4.282 2.588 ( 3.819 0.000 7.024) 7.995 2.686 ( 0.415 0.000 -4.242) 4.262 2.727 ( -0.672 0.000 8.062) 8.090 2.734 ( 0.689 0.000 -9.777) 9.802 2.752 ( -1.420 0.000 8.194) 8.316 2.779 ( -1.465 0.000 0.459) 1.535 2.866 ( -1.724 0.000 -1.303) 2.161 2.877 ( -4.975 0.000 -0.432) 4.994 2.919 ( 6.568 0.000 4.149) 7.769 2.923 ( 2.636 0.000 -5.289) 5.910 2.942 ( -1.489 0.000 0.138) 1.495 2.995 ( 1.409 0.000 4.849) 5.049 3.030 ( 1.095 0.000 -3.110) 3.297 3.130 ( -1.136 0.000 8.564) 8.639 3.198 ( 5.484 0.000 0.209) 5.488 3.208 ( 2.080 0.000 -1.077) 2.342 3.263 ( 0.924 0.000 2.330) 2.506 3.274 ( -1.966 0.000 6.556) 6.844 3.355 ( -3.693 0.000 1.563) 4.010 3.360 ( 0.562 0.000 0.415) 0.699 3.393 ( 1.515 0.000 6.342) 6.520 3.409 ( 0.248 0.000 -6.099) 6.104 3.424 ( -3.329 0.000 1.543) 3.670 3.483 ( -2.270 0.000 4.813) 5.322 3.539 ( -1.539 0.000 -0.322) 1.573 3.546 ( 3.934 0.000 -12.214) 12.832 3.567 ( -2.733 0.000 -0.458) 2.771 3.615 ( 0.605 0.000 2.131) 2.216 3.671 ( 0.647 0.000 2.514) 2.596 3.700 ( -1.181 0.000 2.468) 2.736 3.750 ( -4.261 0.000 -3.521) 5.528 3.777 ( 1.437 0.000 -1.411) 2.014 3.847 ( 4.308 0.000 2.024) 4.760 3.920 ( 2.106 0.000 -0.002) 2.106 3.941 ( -4.792 0.000 -3.477) 5.921 4.020 ( -5.137 0.000 2.431) 5.683 4.024 ( -0.039 0.000 -0.519) 0.521 4.040 ( -5.949 0.000 6.107) 8.526 4.083 ( 0.063 0.000 -2.355) 2.356 4.116 ( 4.088 0.000 -3.546) 5.412 4.261 ( 1.213 0.000 2.846) 3.093 4.306 ( 2.653 0.000 -6.011) 6.570 4.378 ( 0.832 0.000 -1.397) 1.626 4.398 ( -2.541 0.000 -7.084) 7.525 4.437 ( 3.005 0.000 0.556) 3.056 4.481 ( -5.553 0.000 0.968) 5.637 4.522 ( 2.235 0.000 -12.445) 12.644 4.531 ( -3.942 0.000 1.563) 4.241 4.549 ( 1.062 0.000 1.003) 1.461 4.568 ( -1.450 0.000 0.504) 1.535 4.615 ( -1.562 0.000 -4.295) 4.570 4.701 ( 1.841 0.000 7.285) 7.514 4.734 ( 3.884 0.000 -0.082) 3.885 4.789 ( 1.393 0.000 -4.573) 4.780 4.827 ( 4.692 0.000 0.849) 4.768 4.831 ( -0.141 0.000 -4.881) 4.883 4.832 ( 9.730 0.000 -2.091) 9.952 4.893 ( 11.266 0.000 -5.615) 12.587 5.040 ( 2.604 0.000 -1.406) 2.960 5.041 ( -4.380 0.000 -0.497) 4.408 5.067 ( 4.915 0.000 -5.338) 7.256 5.106 ( 6.525 0.000 2.333) 6.930 5.201 ( -1.011 0.000 0.079) 1.014 5.202 ( 0.582 0.000 0.113) 0.593 5.269 ( 5.565 0.000 1.708) 5.821 5.361 ( 1.940 0.000 -1.648) 2.546 5.370 ( -2.092 0.000 4.120) 4.620 5.430 ( -5.642 0.000 4.581) 7.268 5.486 ( 5.758 0.000 -1.152) 5.872 5.501 ( 2.741 0.000 -0.675) 2.823 5.540 ( -1.127 0.000 0.321) 1.172 5.568 ( -6.819 0.000 -3.183) 7.525 5.606 ( -3.996 0.000 5.400) 6.718 5.624 ( -0.837 0.000 0.159) 0.852 5.692 ( -1.719 0.000 -0.360) 1.756 5.755 ( 2.273 0.000 -2.817) 3.620 5.781 ( -2.691 0.000 -0.243) 2.702 5.869 ( -5.478 0.000 -0.372) 5.490 5.909 ( 5.386 0.000 8.588) 10.137 5.953 ( -5.641 0.000 1.090) 5.746 6.127 ( -3.252 0.000 0.766) 3.341 6.149 ( -4.813 0.000 0.964) 4.909 6.189 ( 2.741 0.000 -0.414) 2.772 6.266 ( -1.824 0.000 -1.578) 2.412 6.333 ( -7.923 0.000 -1.147) 8.006 6.345 ( -1.091 0.000 0.487) 1.195 6.398 ( -10.508 0.000 0.334) 10.514 6.459 ( 0.997 0.000 -0.357) 1.058 6.470 ( -3.093 0.000 0.584) 3.148 6.628 ( 1.543 0.000 -2.415) 2.866 6.640 ( -0.492 0.000 0.289) 0.571 6.724 ( -3.041 0.000 -1.881) 3.576 6.755 ( -5.646 0.000 1.476) 5.836 6.812 ( 0.229 0.000 1.090) 1.114 6.867 ( -3.507 0.000 -0.976) 3.640 6.869 ( -1.567 0.000 0.179) 1.577 7.035 ( -3.449 0.000 0.740) 3.527 7.043 ( -3.668 0.000 0.208) 3.674 7.055 ( -2.125 0.000 -1.248) 2.465 7.073 ( -3.591 0.000 5.293) 6.396 7.112 ( -9.398 0.000 2.118) 9.634 7.215 ( 4.555 0.000 -2.385) 5.142 7.420 ( 3.150 0.000 1.711) 3.585 7.423 ( 0.225 0.000 5.580) 5.585 7.486 ( 1.193 0.000 0.091) 1.196 7.527 ( -0.278 0.000 -1.663) 1.686 7.532 ( 2.650 0.000 -3.801) 4.634 7.611 ( -3.890 0.000 -1.362) 4.121 7.648 ( 3.996 0.000 3.254) 5.154 7.819 ( -1.068 0.000 0.810) 1.341 8.370 ( 1.073 0.000 -2.754) 2.955 8.393 ( -3.428 0.000 3.849) 5.154 8.453 ( 4.503 0.000 1.798) 4.848 8.482 ( -0.269 0.000 7.216) 7.221 8.628 ( -1.271 0.000 1.919) 2.302 8.686 ( -1.179 0.000 -1.117) 1.624 8.866 ( 5.544 0.000 4.097) 6.893 8.982 ( 3.223 0.000 0.975) 3.367 9.118 ( 4.746 0.000 -0.579) 4.781 9.207 ( 0.770 0.000 -7.188) 7.229 9.208 ( 3.176 0.000 0.933) 3.310 9.246 ( 5.486 0.000 -3.461) 6.486 9.744 ( -0.379 0.000 6.994) 7.004 9.872 ( -0.620 0.000 6.593) 6.622 9.938 ( -2.009 0.000 -2.306) 3.058 10.066 ( 0.032 0.000 -8.251) 8.251 10.332 ( -6.225 0.000 -0.899) 6.290 10.413 ( 2.354 0.000 -9.733) 10.014 10.419 ( -2.489 0.000 -2.906) 3.826 10.562 ( -5.266 0.000 -2.124) 5.678 11.031 ( 0.204 0.000 -1.072) 1.092 11.079 ( -0.878 0.000 -2.358) 2.516 11.118 ( -0.081 0.000 0.100) 0.129 11.143 ( 1.537 0.000 -2.781) 3.177 11.568 ( 8.284 0.000 4.033) 9.214 11.586 ( -0.336 0.000 0.071) 0.343 11.728 ( 11.286 0.000 4.755) 12.247 11.745 ( 1.004 0.000 1.899) 2.147 11.946 ( 6.024 0.000 3.114) 6.782 12.003 ( 0.046 0.000 -1.885) 1.886 12.210 ( 11.626 0.000 3.384) 12.109 12.282 ( 5.096 0.000 5.884) 7.784 12.494 ( -1.295 0.000 2.437) 2.759 12.552 ( 0.363 0.000 -1.279) 1.330 12.554 ( -1.447 0.000 2.315) 2.730 12.589 ( -0.133 0.000 -0.248) 0.282 12.693 ( -8.539 0.000 -1.742) 8.715 12.717 ( -0.130 0.000 -7.002) 7.003 12.766 ( -10.570 0.000 1.694) 10.704 12.926 ( -2.628 0.000 -6.476) 6.989 14.318 ( 1.151 0.000 -4.275) 4.427 14.355 ( -3.797 0.000 1.129) 3.961 14.534 ( 0.030 0.000 -3.756) 3.756 14.546 ( -3.781 0.000 3.263) 4.995 17.116 ( 2.602 0.000 4.210) 4.949 17.139 ( 1.656 0.000 4.570) 4.861 17.237 ( 4.283 0.000 -5.839) 7.242 17.462 ( 3.782 0.000 -8.250) 9.075 18.155 ( 2.506 0.000 1.706) 3.032 18.175 ( -2.010 0.000 2.258) 3.023 18.350 ( -2.990 0.000 -2.144) 3.680 18.358 ( -0.061 0.000 -1.247) 1.249 18.848 ( -1.973 0.000 1.506) 2.482 18.857 ( 0.190 0.000 -2.023) 2.032 18.923 ( -0.028 0.000 0.442) 0.443 18.948 ( -0.789 0.000 -0.281) 0.838 18.981 ( 0.953 0.000 -4.398) 4.500 19.014 ( -1.893 0.000 -2.452) 3.097 19.182 ( 2.049 0.000 1.676) 2.647 19.207 ( 1.007 0.000 -0.615) 1.179 19.237 ( -1.302 0.000 -2.140) 2.505 19.267 ( 0.773 0.000 -2.225) 2.355 19.405 ( 5.896 0.000 7.055) 9.195 19.534 ( 5.982 0.000 2.432) 6.458 19.554 ( 11.987 0.000 -5.940) 13.378 19.575 ( -1.989 0.000 9.386) 9.594 19.815 ( 5.627 0.000 5.811) 8.089 19.952 ( 0.133 0.000 -6.753) 6.755 20.291 ( -9.454 0.000 2.349) 9.742 20.398 ( -4.809 0.000 -0.342) 4.821 20.641 ( -11.818 0.000 6.676) 13.573 20.803 ( -8.890 0.000 -5.479) 10.443 ======================= Grid point 68 (34/48) ======================= q-point: (-0.50 0.00 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -5.903 0.000 8.500) 10.349 1.020 ( -4.033 0.000 11.021) 11.735 1.171 ( 1.357 0.000 -4.600) 4.796 1.270 ( 2.491 0.000 -12.602) 12.846 1.444 ( 10.191 0.000 3.045) 10.637 1.540 ( -17.215 0.000 -5.700) 18.134 1.555 ( 3.167 0.000 6.413) 7.152 1.686 ( -2.372 0.000 -8.268) 8.601 1.817 ( 4.749 0.000 0.403) 4.766 1.867 ( -2.799 0.000 -3.049) 4.139 1.971 ( -3.971 0.000 5.663) 6.916 2.011 ( 6.039 0.000 -0.356) 6.049 2.024 ( -2.732 0.000 4.807) 5.529 2.090 ( -1.446 0.000 -2.640) 3.010 2.195 ( -0.830 0.000 0.618) 1.034 2.200 ( -4.871 0.000 -1.634) 5.137 2.247 ( -0.094 0.000 16.914) 16.914 2.314 ( 3.720 0.000 5.464) 6.610 2.419 ( 0.023 0.000 -3.641) 3.641 2.455 ( 2.845 0.000 -0.310) 2.862 2.578 ( -11.058 0.000 2.526) 11.343 2.600 ( 0.191 0.000 2.166) 2.174 2.653 ( 7.194 0.000 -0.515) 7.212 2.681 ( -3.159 0.000 -3.154) 4.464 2.691 ( 4.913 0.000 2.394) 5.465 2.699 ( -7.734 0.000 4.260) 8.829 2.726 ( -6.050 0.000 0.049) 6.050 2.776 ( 5.328 0.000 -3.814) 6.553 2.856 ( 3.187 0.000 0.513) 3.228 2.857 ( -0.938 0.000 0.913) 1.310 2.957 ( 1.815 0.000 7.271) 7.494 2.963 ( 1.734 0.000 1.313) 2.174 2.996 ( -1.273 0.000 4.685) 4.855 3.000 ( -4.040 0.000 -1.663) 4.369 3.023 ( 2.893 0.000 3.624) 4.637 3.100 ( -1.018 0.000 -5.718) 5.808 3.173 ( -8.375 0.000 7.653) 11.345 3.225 ( -8.354 0.000 4.396) 9.440 3.274 ( 5.465 0.000 -4.597) 7.141 3.275 ( -1.158 0.000 0.269) 1.188 3.293 ( -2.648 0.000 2.930) 3.949 3.358 ( 6.811 0.000 -2.883) 7.396 3.369 ( 6.631 0.000 2.300) 7.018 3.441 ( 4.480 0.000 -6.350) 7.771 3.469 ( 0.782 0.000 0.140) 0.794 3.483 ( -0.045 0.000 0.577) 0.579 3.541 ( 0.875 0.000 -1.483) 1.721 3.558 ( 4.654 0.000 -9.943) 10.979 3.624 ( 3.786 0.000 4.286) 5.719 3.638 ( 1.621 0.000 -3.449) 3.811 3.661 ( -0.989 0.000 -5.074) 5.169 3.703 ( 0.126 0.000 -1.666) 1.671 3.758 ( -4.001 0.000 6.501) 7.633 3.826 ( 2.325 0.000 2.982) 3.782 3.882 ( -3.875 0.000 -1.274) 4.079 3.904 ( 3.318 0.000 4.129) 5.297 3.939 ( 1.285 0.000 5.136) 5.294 3.949 ( -2.977 0.000 2.230) 3.720 4.015 ( 0.268 0.000 4.594) 4.602 4.063 ( 5.794 0.000 -5.435) 7.944 4.135 ( 6.015 0.000 0.157) 6.017 4.136 ( -1.832 0.000 1.063) 2.118 4.219 ( -7.253 0.000 -8.217) 10.960 4.306 ( 0.287 0.000 -1.470) 1.498 4.306 ( -1.581 0.000 4.677) 4.937 4.348 ( -0.305 0.000 -3.726) 3.738 4.428 ( -3.208 0.000 -18.141) 18.423 4.428 ( -0.323 0.000 -0.659) 0.733 4.500 ( -0.784 0.000 2.405) 2.529 4.501 ( 2.236 0.000 5.833) 6.247 4.535 ( -0.498 0.000 0.883) 1.013 4.571 ( -1.336 0.000 1.489) 2.000 4.625 ( -4.652 0.000 1.545) 4.902 4.638 ( 2.885 0.000 -1.445) 3.227 4.771 ( -1.808 0.000 -5.275) 5.576 4.779 ( 0.957 0.000 -5.091) 5.180 4.868 ( -1.604 0.000 3.320) 3.687 4.926 ( 5.716 0.000 -1.987) 6.051 4.950 ( 0.881 0.000 2.682) 2.823 4.989 ( 2.133 0.000 -6.039) 6.405 5.045 ( -0.666 0.000 -4.610) 4.658 5.053 ( 6.121 0.000 4.312) 7.487 5.083 ( -1.679 0.000 -4.244) 4.564 5.124 ( -6.953 0.000 -2.261) 7.311 5.221 ( -1.730 0.000 1.274) 2.149 5.243 ( 8.926 0.000 -2.056) 9.160 5.308 ( 2.208 0.000 2.952) 3.687 5.333 ( -13.752 0.000 0.026) 13.752 5.368 ( 3.151 0.000 0.825) 3.257 5.386 ( 0.599 0.000 -1.586) 1.695 5.432 ( 2.402 0.000 4.266) 4.896 5.520 ( -2.765 0.000 -1.314) 3.061 5.526 ( 0.242 0.000 -4.165) 4.172 5.555 ( 5.885 0.000 -4.075) 7.158 5.614 ( 1.547 0.000 2.618) 3.041 5.666 ( 2.086 0.000 2.079) 2.945 5.667 ( -0.394 0.000 -2.158) 2.194 5.688 ( -0.342 0.000 0.057) 0.347 5.817 ( -0.320 0.000 0.719) 0.787 5.853 ( 0.096 0.000 -2.527) 2.529 5.955 ( 7.747 0.000 5.458) 9.477 5.989 ( -6.068 0.000 1.910) 6.361 6.050 ( -0.587 0.000 5.656) 5.687 6.071 ( -2.554 0.000 -1.606) 3.017 6.160 ( 2.125 0.000 -4.839) 5.285 6.192 ( -3.635 0.000 -4.006) 5.409 6.317 ( -1.981 0.000 4.422) 4.846 6.327 ( -1.843 0.000 3.597) 4.042 6.364 ( 5.974 0.000 2.835) 6.612 6.413 ( -2.513 0.000 -2.455) 3.514 6.552 ( 8.877 0.000 6.048) 10.741 6.621 ( -2.798 0.000 0.110) 2.800 6.658 ( 2.391 0.000 -1.889) 3.047 6.670 ( -11.143 0.000 -2.991) 11.538 6.679 ( -2.570 0.000 1.405) 2.929 6.709 ( 2.508 0.000 -1.841) 3.111 6.839 ( -2.958 0.000 1.787) 3.456 6.848 ( 0.402 0.000 1.513) 1.565 6.989 ( -2.048 0.000 1.068) 2.310 6.991 ( -0.598 0.000 1.580) 1.689 7.001 ( -1.952 0.000 1.805) 2.658 7.051 ( 3.289 0.000 -3.075) 4.503 7.150 ( 3.258 0.000 2.852) 4.330 7.224 ( -1.081 0.000 -4.426) 4.556 7.432 ( -1.401 0.000 4.611) 4.819 7.466 ( 0.839 0.000 1.534) 1.749 7.505 ( 0.598 0.000 0.023) 0.598 7.512 ( -0.476 0.000 -0.304) 0.565 7.557 ( -1.204 0.000 -2.291) 2.588 7.559 ( 2.209 0.000 -2.686) 3.478 7.734 ( 3.391 0.000 3.621) 4.961 7.781 ( -3.257 0.000 -1.208) 3.473 8.350 ( -3.116 0.000 2.574) 4.041 8.394 ( 3.149 0.000 -2.005) 3.733 8.523 ( -0.731 0.000 7.201) 7.238 8.567 ( 4.652 0.000 2.817) 5.439 8.626 ( 0.164 0.000 1.502) 1.511 8.656 ( -0.562 0.000 -1.766) 1.853 8.955 ( 1.153 0.000 4.375) 4.525 9.037 ( 1.305 0.000 0.006) 1.305 9.127 ( -1.452 0.000 -2.357) 2.768 9.140 ( -2.976 0.000 -7.185) 7.777 9.256 ( 0.054 0.000 1.037) 1.039 9.276 ( -0.259 0.000 -1.421) 1.445 9.773 ( -0.711 0.000 6.676) 6.714 9.897 ( -1.136 0.000 7.635) 7.719 9.900 ( 0.444 0.000 -5.331) 5.350 10.042 ( 1.551 0.000 -6.874) 7.047 10.231 ( -3.749 0.000 1.838) 4.176 10.357 ( 1.644 0.000 -9.607) 9.747 10.448 ( 3.828 0.000 -1.576) 4.140 10.477 ( -2.365 0.000 -3.332) 4.086 11.036 ( 0.564 0.000 -0.109) 0.575 11.054 ( -0.566 0.000 -2.014) 2.092 11.115 ( -0.245 0.000 0.123) 0.274 11.152 ( 1.465 0.000 -3.382) 3.686 11.593 ( 0.605 0.000 1.243) 1.382 11.602 ( -2.115 0.000 0.386) 2.150 11.795 ( 2.893 0.000 2.981) 4.154 11.826 ( -4.089 0.000 0.019) 4.089 12.094 ( 11.056 0.000 9.447) 14.542 12.205 ( 11.284 0.000 8.252) 13.980 12.257 ( -8.812 0.000 -6.307) 10.836 12.364 ( -0.368 0.000 -1.706) 1.745 12.465 ( -10.554 0.000 1.002) 10.601 12.496 ( -0.106 0.000 2.170) 2.173 12.545 ( -0.942 0.000 2.726) 2.885 12.575 ( -0.007 0.000 -1.867) 1.867 12.616 ( -0.772 0.000 1.896) 2.047 12.649 ( 1.949 0.000 6.997) 7.263 12.676 ( 0.383 0.000 -7.725) 7.734 12.842 ( -1.039 0.000 -8.718) 8.780 14.295 ( -3.095 0.000 0.723) 3.179 14.331 ( 2.615 0.000 -3.298) 4.208 14.495 ( -3.268 0.000 2.383) 4.045 14.546 ( 3.263 0.000 -2.860) 4.339 17.148 ( -0.431 0.000 4.394) 4.415 17.236 ( 2.806 0.000 8.352) 8.810 17.249 ( 0.819 0.000 -6.161) 6.216 17.426 ( -1.777 0.000 -11.035) 11.177 18.157 ( -1.264 0.000 2.625) 2.914 18.211 ( 3.015 0.000 -1.916) 3.572 18.298 ( -2.077 0.000 1.940) 2.842 18.350 ( -0.002 0.000 -2.045) 2.045 18.823 ( -1.610 0.000 1.861) 2.461 18.863 ( 1.612 0.000 -1.844) 2.449 18.921 ( -0.123 0.000 0.198) 0.233 18.948 ( 0.682 0.000 0.210) 0.714 18.953 ( -1.001 0.000 -1.966) 2.207 18.986 ( 0.210 0.000 -4.650) 4.654 19.206 ( -0.558 0.000 0.426) 0.702 19.215 ( 0.062 0.000 -0.319) 0.324 19.222 ( 0.282 0.000 1.285) 1.315 19.262 ( 0.025 0.000 -2.860) 2.860 19.522 ( -4.949 0.000 8.079) 9.474 19.540 ( -0.104 0.000 9.451) 9.451 19.588 ( -1.439 0.000 -0.480) 1.516 19.747 ( 12.978 0.000 -9.243) 15.933 19.889 ( -3.117 0.000 -1.836) 3.617 19.915 ( 0.546 0.000 -2.946) 2.996 20.247 ( 4.227 0.000 9.462) 10.363 20.335 ( -3.112 0.000 -0.679) 3.186 20.504 ( -7.487 0.000 8.297) 11.176 20.677 ( 1.402 0.000 -8.203) 8.322 ======================= Grid point 69 (35/48) ======================= q-point: (-0.33 0.00 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -12.930 0.000 14.488) 19.419 0.977 ( -3.300 0.000 9.117) 9.695 1.179 ( -3.169 0.000 -0.931) 3.303 1.241 ( 0.344 0.000 -7.210) 7.218 1.264 ( -4.552 0.000 -5.084) 6.824 1.392 ( -17.798 0.000 8.523) 19.733 1.567 ( -4.738 0.000 -6.547) 8.081 1.715 ( 0.732 0.000 6.663) 6.703 1.812 ( 2.240 0.000 -0.155) 2.245 1.887 ( 2.359 0.000 2.933) 3.764 1.900 ( -2.743 0.000 5.512) 6.157 2.019 ( -3.645 0.000 8.980) 9.691 2.025 ( -5.151 0.000 -2.570) 5.757 2.082 ( -8.957 0.000 5.281) 10.398 2.083 ( 2.379 0.000 -0.333) 2.402 2.096 ( -3.847 0.000 -1.341) 4.074 2.338 ( -2.544 0.000 -0.182) 2.550 2.361 ( -9.448 0.000 6.109) 11.251 2.380 ( -5.375 0.000 8.597) 10.139 2.444 ( 2.311 0.000 1.414) 2.710 2.505 ( -6.002 0.000 2.457) 6.485 2.527 ( 4.082 0.000 -2.549) 4.813 2.599 ( -3.414 0.000 -0.924) 3.537 2.602 ( -2.127 0.000 3.736) 4.299 2.724 ( 0.412 0.000 1.043) 1.121 2.725 ( 2.086 0.000 -1.392) 2.508 2.797 ( 7.392 0.000 0.104) 7.392 2.808 ( -2.260 0.000 -3.024) 3.775 2.837 ( 1.789 0.000 2.931) 3.433 2.874 ( -2.999 0.000 1.165) 3.218 2.924 ( -7.852 0.000 -1.523) 7.998 2.938 ( 1.930 0.000 -1.491) 2.439 2.965 ( -1.232 0.000 2.558) 2.839 3.050 ( 2.273 0.000 -4.967) 5.462 3.097 ( 0.195 0.000 -6.973) 6.976 3.111 ( 0.911 0.000 3.379) 3.499 3.134 ( -0.891 0.000 6.549) 6.609 3.212 ( 4.729 0.000 6.180) 7.782 3.238 ( 1.855 0.000 2.298) 2.953 3.344 ( 0.485 0.000 2.119) 2.173 3.358 ( 3.763 0.000 1.979) 4.251 3.407 ( 0.627 0.000 -4.798) 4.838 3.437 ( 2.590 0.000 -4.893) 5.536 3.442 ( 0.808 0.000 -1.813) 1.985 3.477 ( 5.047 0.000 -5.000) 7.104 3.537 ( 3.543 0.000 -6.281) 7.211 3.544 ( -0.769 0.000 -3.802) 3.879 3.589 ( 5.971 0.000 -5.452) 8.086 3.601 ( -6.266 0.000 -5.824) 8.554 3.629 ( 2.117 0.000 0.185) 2.125 3.711 ( -0.134 0.000 1.283) 1.290 3.712 ( 6.784 0.000 -0.099) 6.785 3.779 ( 3.641 0.000 3.525) 5.068 3.832 ( 0.280 0.000 -2.873) 2.886 3.878 ( -5.728 0.000 2.144) 6.116 3.904 ( 3.626 0.000 -1.332) 3.863 3.925 ( -0.350 0.000 2.234) 2.261 3.984 ( 1.446 0.000 5.221) 5.418 4.003 ( -8.463 0.000 -6.336) 10.572 4.076 ( 3.778 0.000 -4.386) 5.789 4.102 ( 3.352 0.000 -6.623) 7.423 4.207 ( 3.646 0.000 15.652) 16.071 4.242 ( -3.887 0.000 -14.083) 14.610 4.253 ( 4.229 0.000 3.595) 5.551 4.296 ( -3.661 0.000 -1.062) 3.812 4.301 ( -3.313 0.000 5.396) 6.332 4.350 ( 1.518 0.000 -2.068) 2.565 4.399 ( -0.415 0.000 -4.911) 4.928 4.516 ( -5.684 0.000 5.269) 7.750 4.524 ( -2.271 0.000 2.835) 3.633 4.528 ( 0.811 0.000 3.252) 3.351 4.546 ( 0.826 0.000 1.242) 1.492 4.594 ( -0.595 0.000 -0.860) 1.045 4.664 ( -0.344 0.000 4.359) 4.373 4.721 ( -2.547 0.000 0.861) 2.688 4.803 ( 6.678 0.000 -1.483) 6.841 4.850 ( -3.304 0.000 2.262) 4.005 4.866 ( -9.638 0.000 -7.666) 12.315 4.897 ( -5.514 0.000 -6.102) 8.225 4.927 ( -2.792 0.000 -7.048) 7.581 4.963 ( -5.290 0.000 0.451) 5.309 5.026 ( -1.315 0.000 -1.853) 2.272 5.038 ( 2.015 0.000 0.160) 2.021 5.126 ( -6.862 0.000 0.497) 6.880 5.225 ( 2.726 0.000 -1.068) 2.928 5.229 ( 5.017 0.000 -2.732) 5.713 5.266 ( -9.052 0.000 0.013) 9.052 5.315 ( -2.490 0.000 2.453) 3.495 5.428 ( 3.651 0.000 1.735) 4.042 5.439 ( -2.248 0.000 4.264) 4.820 5.466 ( 1.863 0.000 -5.214) 5.537 5.483 ( 2.618 0.000 3.952) 4.741 5.562 ( 7.678 0.000 -3.711) 8.528 5.593 ( 1.230 0.000 -3.214) 3.441 5.646 ( -1.886 0.000 3.617) 4.079 5.678 ( -0.118 0.000 -2.199) 2.203 5.702 ( 1.773 0.000 1.477) 2.307 5.717 ( 7.475 0.000 -6.427) 9.858 5.808 ( -0.212 0.000 -1.507) 1.522 5.874 ( 4.762 0.000 -2.348) 5.310 5.952 ( 2.847 0.000 0.982) 3.011 6.018 ( -2.152 0.000 0.399) 2.189 6.114 ( 3.270 0.000 4.542) 5.596 6.118 ( -1.088 0.000 -0.568) 1.227 6.143 ( 1.492 0.000 3.794) 4.076 6.252 ( 7.261 0.000 -2.122) 7.565 6.319 ( 0.790 0.000 3.095) 3.195 6.349 ( 5.115 0.000 -0.108) 5.116 6.391 ( 3.398 0.000 -0.376) 3.419 6.471 ( 3.555 0.000 0.467) 3.586 6.489 ( -4.062 0.000 -1.941) 4.502 6.600 ( -1.104 0.000 0.649) 1.280 6.659 ( -0.693 0.000 -2.061) 2.174 6.679 ( 1.416 0.000 2.528) 2.898 6.762 ( 6.095 0.000 1.841) 6.367 6.781 ( 3.816 0.000 3.855) 5.424 6.824 ( 3.000 0.000 2.290) 3.774 6.853 ( -0.505 0.000 2.081) 2.141 7.008 ( 1.758 0.000 2.889) 3.382 7.017 ( 2.297 0.000 1.941) 3.007 7.036 ( 3.333 0.000 1.654) 3.721 7.115 ( 3.302 0.000 -0.626) 3.361 7.174 ( -2.610 0.000 1.721) 3.126 7.192 ( 5.684 0.000 -5.241) 7.732 7.431 ( -1.067 0.000 2.281) 2.518 7.474 ( -0.942 0.000 1.670) 1.917 7.484 ( -3.275 0.000 0.766) 3.364 7.501 ( -0.819 0.000 -0.444) 0.931 7.542 ( 1.888 0.000 -5.293) 5.620 7.602 ( 3.986 0.000 -0.678) 4.044 7.704 ( -3.901 0.000 -2.261) 4.509 7.803 ( 2.767 0.000 2.945) 4.041 8.322 ( -1.399 0.000 2.193) 2.601 8.453 ( 4.431 0.000 -2.128) 4.916 8.486 ( -5.943 0.000 0.281) 5.949 8.586 ( -0.227 0.000 -3.503) 3.510 8.660 ( 2.249 0.000 1.648) 2.788 8.672 ( 1.580 0.000 -1.607) 2.254 8.953 ( -4.183 0.000 5.836) 7.180 8.971 ( -4.788 0.000 -6.914) 8.410 9.086 ( -2.844 0.000 1.019) 3.021 9.091 ( -2.064 0.000 1.596) 2.609 9.213 ( -4.105 0.000 1.116) 4.253 9.231 ( -3.402 0.000 -1.357) 3.662 9.808 ( 0.531 0.000 9.739) 9.754 9.887 ( 1.766 0.000 -7.839) 8.035 9.919 ( -1.286 0.000 7.756) 7.862 10.017 ( 0.103 0.000 -7.847) 7.847 10.230 ( -0.105 0.000 7.090) 7.091 10.391 ( 7.513 0.000 -7.420) 10.559 10.443 ( 0.474 0.000 -3.278) 3.312 10.534 ( 6.214 0.000 0.042) 6.214 11.035 ( -0.328 0.000 -1.739) 1.770 11.052 ( 1.210 0.000 0.606) 1.353 11.113 ( -0.039 0.000 -0.051) 0.064 11.157 ( 1.363 0.000 -3.756) 3.995 11.576 ( -0.742 0.000 1.262) 1.464 11.593 ( -3.223 0.000 1.577) 3.588 11.754 ( -2.933 0.000 0.986) 3.094 11.824 ( -5.716 0.000 -1.404) 5.886 11.996 ( -9.448 0.000 -5.332) 10.848 12.089 ( -15.569 0.000 -11.903) 19.598 12.204 ( -5.427 0.000 3.829) 6.641 12.309 ( -3.738 0.000 3.037) 4.816 12.464 ( -0.147 0.000 8.857) 8.858 12.519 ( 1.146 0.000 3.220) 3.417 12.544 ( -0.823 0.000 2.225) 2.372 12.569 ( 0.514 0.000 -1.590) 1.671 12.615 ( -0.961 0.000 5.584) 5.666 12.711 ( 8.158 0.000 -4.416) 9.277 12.790 ( 6.220 0.000 5.015) 7.990 12.852 ( 6.777 0.000 -5.424) 8.681 14.265 ( -0.812 0.000 1.317) 1.547 14.376 ( 3.941 0.000 -1.407) 4.184 14.472 ( -0.758 0.000 2.644) 2.750 14.604 ( 4.597 0.000 -2.756) 5.360 17.145 ( -2.610 0.000 3.896) 4.690 17.210 ( -1.157 0.000 -5.458) 5.579 17.282 ( -6.982 0.000 -11.144) 13.150 17.299 ( -1.296 0.000 8.364) 8.464 18.159 ( -0.099 0.000 1.236) 1.240 18.225 ( 0.564 0.000 -2.852) 2.907 18.313 ( 1.299 0.000 3.548) 3.778 18.342 ( 0.482 0.000 -0.917) 1.036 18.815 ( -0.639 0.000 2.308) 2.395 18.888 ( 2.327 0.000 -2.417) 3.355 18.917 ( -0.834 0.000 1.040) 1.333 18.945 ( 1.223 0.000 -0.905) 1.521 18.967 ( 0.225 0.000 -3.321) 3.329 18.978 ( 2.167 0.000 1.272) 2.513 19.192 ( -1.281 0.000 0.915) 1.574 19.206 ( -1.229 0.000 1.156) 1.687 19.231 ( -1.744 0.000 -3.036) 3.501 19.234 ( 0.062 0.000 1.115) 1.116 19.422 ( -8.184 0.000 7.640) 11.196 19.492 ( -7.048 0.000 -2.245) 7.396 19.557 ( -4.289 0.000 0.984) 4.401 19.753 ( -5.454 0.000 -7.327) 9.134 19.868 ( -2.450 0.000 0.938) 2.624 19.916 ( 4.930 0.000 -5.929) 7.711 20.333 ( 5.946 0.000 -1.603) 6.158 20.366 ( 0.960 0.000 2.879) 3.035 20.612 ( 13.701 0.000 16.121) 21.157 20.756 ( 9.561 0.000 -5.376) 10.969 ======================= Grid point 70 (36/48) ======================= q-point: (-0.17 0.00 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -12.229 0.000 15.944) 20.094 0.979 ( -5.507 0.000 11.658) 12.893 1.046 ( -6.216 0.000 1.493) 6.393 1.070 ( -14.037 0.000 0.108) 14.038 1.225 ( 0.185 0.000 1.500) 1.512 1.325 ( 6.523 0.000 -1.202) 6.633 1.497 ( 0.824 0.000 -3.057) 3.166 1.691 ( -2.566 0.000 3.056) 3.991 1.776 ( -5.011 0.000 4.108) 6.480 1.857 ( -10.874 0.000 1.316) 10.954 1.911 ( -12.561 0.000 25.760) 28.659 1.958 ( 2.938 0.000 2.127) 3.628 2.055 ( 4.383 0.000 10.149) 11.055 2.068 ( 2.179 0.000 -2.826) 3.568 2.083 ( 0.248 0.000 9.733) 9.736 2.114 ( 1.650 0.000 0.624) 1.764 2.191 ( -9.087 0.000 8.418) 12.386 2.265 ( -4.567 0.000 -0.712) 4.622 2.306 ( 1.322 0.000 -6.610) 6.741 2.415 ( -3.530 0.000 -1.354) 3.781 2.516 ( -6.916 0.000 5.969) 9.136 2.556 ( -7.525 0.000 -2.551) 7.945 2.573 ( -0.849 0.000 -0.391) 0.935 2.611 ( 4.137 0.000 3.440) 5.380 2.673 ( 1.165 0.000 2.764) 2.999 2.706 ( -1.113 0.000 -2.536) 2.769 2.791 ( -3.783 0.000 1.565) 4.094 2.805 ( -0.324 0.000 -1.183) 1.227 2.861 ( 8.512 0.000 -8.059) 11.722 2.904 ( -3.220 0.000 -1.888) 3.733 2.925 ( -3.377 0.000 1.321) 3.626 2.929 ( 4.373 0.000 -1.767) 4.717 2.964 ( 1.083 0.000 -3.454) 3.620 3.019 ( -0.915 0.000 -0.859) 1.255 3.076 ( 1.129 0.000 -0.798) 1.382 3.084 ( 2.673 0.000 -5.596) 6.202 3.174 ( 0.281 0.000 6.816) 6.822 3.219 ( -8.792 0.000 -7.704) 11.689 3.287 ( -4.070 0.000 3.085) 5.107 3.342 ( -1.673 0.000 0.990) 1.944 3.356 ( 3.978 0.000 0.963) 4.093 3.365 ( -3.654 0.000 -6.534) 7.486 3.424 ( 0.854 0.000 -4.958) 5.031 3.489 ( 1.127 0.000 -1.712) 2.049 3.490 ( 4.271 0.000 -2.623) 5.012 3.537 ( 2.651 0.000 -6.890) 7.383 3.544 ( 2.086 0.000 -2.475) 3.237 3.622 ( 2.421 0.000 -6.228) 6.682 3.645 ( 5.795 0.000 0.208) 5.799 3.670 ( 3.736 0.000 0.618) 3.787 3.717 ( 0.338 0.000 3.309) 3.326 3.777 ( 0.422 0.000 -11.956) 11.963 3.780 ( -2.175 0.000 -9.013) 9.272 3.836 ( 4.611 0.000 1.075) 4.735 3.848 ( 1.114 0.000 -0.490) 1.217 3.935 ( 0.698 0.000 1.153) 1.348 3.939 ( 6.085 0.000 -1.609) 6.294 3.998 ( -3.272 0.000 -0.115) 3.274 4.010 ( 5.466 0.000 8.745) 10.313 4.107 ( 0.802 0.000 -0.900) 1.205 4.130 ( -0.895 0.000 -2.065) 2.250 4.182 ( -4.293 0.000 -6.589) 7.865 4.193 ( -2.654 0.000 4.848) 5.527 4.225 ( 4.191 0.000 -3.036) 5.175 4.276 ( -6.511 0.000 5.318) 8.407 4.317 ( -2.014 0.000 -0.613) 2.106 4.404 ( 4.400 0.000 -1.058) 4.525 4.412 ( 4.061 0.000 4.467) 6.038 4.439 ( -8.081 0.000 0.850) 8.126 4.481 ( -3.247 0.000 10.977) 11.447 4.533 ( -10.007 0.000 2.464) 10.306 4.564 ( 0.273 0.000 0.547) 0.612 4.599 ( 2.004 0.000 6.031) 6.355 4.651 ( 4.323 0.000 4.549) 6.275 4.652 ( -3.119 0.000 -0.964) 3.265 4.798 ( 1.308 0.000 -3.995) 4.204 4.799 ( -0.127 0.000 -3.117) 3.119 4.826 ( 1.734 0.000 -4.497) 4.820 4.837 ( -0.792 0.000 -4.942) 5.005 4.859 ( -5.350 0.000 -0.528) 5.376 4.945 ( 7.508 0.000 -2.022) 7.776 5.014 ( -2.495 0.000 2.720) 3.691 5.045 ( -2.176 0.000 -3.205) 3.874 5.074 ( 1.790 0.000 -2.534) 3.102 5.132 ( -2.015 0.000 1.859) 2.742 5.215 ( -2.320 0.000 -3.015) 3.804 5.251 ( -0.433 0.000 -0.113) 0.448 5.309 ( 0.343 0.000 3.734) 3.750 5.357 ( -6.848 0.000 -0.699) 6.884 5.419 ( -1.147 0.000 -4.893) 5.025 5.483 ( -1.937 0.000 4.122) 4.555 5.490 ( 0.528 0.000 -2.119) 2.184 5.556 ( -6.110 0.000 0.049) 6.110 5.644 ( 0.681 0.000 2.363) 2.459 5.645 ( 0.448 0.000 -2.353) 2.395 5.719 ( -2.157 0.000 2.849) 3.573 5.734 ( 8.420 0.000 -9.330) 12.568 5.828 ( 9.915 0.000 -3.607) 10.551 5.867 ( 5.047 0.000 1.460) 5.254 5.881 ( -7.720 0.000 -6.619) 10.169 6.002 ( 7.133 0.000 -0.198) 7.136 6.026 ( 2.700 0.000 2.999) 4.035 6.103 ( -3.596 0.000 1.616) 3.942 6.177 ( 4.314 0.000 6.644) 7.921 6.198 ( 2.478 0.000 3.001) 3.892 6.269 ( -2.321 0.000 -4.123) 4.731 6.380 ( 4.901 0.000 -1.932) 5.268 6.390 ( 2.050 0.000 0.738) 2.178 6.447 ( -0.120 0.000 -0.042) 0.127 6.521 ( 3.255 0.000 1.934) 3.787 6.594 ( 1.503 0.000 1.910) 2.431 6.631 ( 10.598 0.000 0.632) 10.616 6.636 ( -2.366 0.000 -0.011) 2.366 6.764 ( 4.558 0.000 3.338) 5.649 6.769 ( -4.870 0.000 -2.686) 5.562 6.791 ( 0.282 0.000 1.976) 1.996 6.895 ( 5.370 0.000 6.015) 8.063 6.945 ( 7.038 0.000 2.222) 7.380 7.038 ( 0.072 0.000 1.780) 1.782 7.049 ( -5.522 0.000 1.700) 5.778 7.098 ( 4.754 0.000 3.423) 5.858 7.111 ( -1.051 0.000 -0.729) 1.279 7.156 ( 1.255 0.000 -0.772) 1.473 7.337 ( 3.211 0.000 1.310) 3.468 7.388 ( -3.997 0.000 -1.100) 4.146 7.445 ( -0.661 0.000 -4.087) 4.140 7.446 ( -2.009 0.000 3.719) 4.227 7.468 ( -1.805 0.000 -1.677) 2.463 7.568 ( 3.373 0.000 -4.493) 5.618 7.624 ( -3.525 0.000 -2.289) 4.203 7.686 ( 5.250 0.000 0.446) 5.269 7.896 ( 7.589 0.000 -2.804) 8.091 8.329 ( 0.971 0.000 2.428) 2.615 8.383 ( -3.582 0.000 0.828) 3.676 8.500 ( 1.741 0.000 -3.944) 4.311 8.565 ( -0.128 0.000 -4.395) 4.397 8.675 ( 0.723 0.000 -1.665) 1.815 8.703 ( 2.019 0.000 -0.460) 2.071 8.873 ( -1.026 0.000 -5.605) 5.698 8.899 ( -4.924 0.000 4.957) 6.987 9.000 ( -7.258 0.000 2.182) 7.579 9.018 ( -6.008 0.000 -0.949) 6.082 9.176 ( -1.373 0.000 1.009) 1.704 9.178 ( -1.249 0.000 -1.761) 2.159 9.882 ( 3.556 0.000 -7.812) 8.583 9.892 ( 0.567 0.000 9.058) 9.076 9.930 ( -3.219 0.000 7.796) 8.434 9.982 ( 1.487 0.000 -6.358) 6.529 10.260 ( -1.692 0.000 7.011) 7.213 10.467 ( 3.627 0.000 0.232) 3.634 10.479 ( 4.667 0.000 -8.319) 9.539 10.647 ( 4.871 0.000 0.016) 4.871 11.038 ( 1.670 0.000 -0.705) 1.813 11.078 ( 0.853 0.000 -0.010) 0.853 11.113 ( 0.419 0.000 -0.354) 0.548 11.151 ( 0.166 0.000 -3.964) 3.967 11.438 ( -9.572 0.000 -3.014) 10.036 11.579 ( -8.411 0.000 -0.994) 8.469 11.584 ( 0.021 0.000 1.216) 1.216 11.737 ( -1.184 0.000 0.877) 1.474 11.890 ( -3.265 0.000 -0.921) 3.393 11.966 ( -0.327 0.000 3.769) 3.783 12.020 ( -12.199 0.000 -1.605) 12.305 12.190 ( -8.178 0.000 -1.529) 8.320 12.504 ( 0.168 0.000 5.576) 5.579 12.535 ( -0.347 0.000 1.079) 1.134 12.564 ( 0.335 0.000 3.485) 3.501 12.580 ( 0.779 0.000 0.545) 0.950 12.643 ( 1.100 0.000 5.646) 5.752 12.815 ( 4.109 0.000 -2.790) 4.967 12.897 ( 3.202 0.000 3.996) 5.120 12.960 ( 6.296 0.000 -2.728) 6.862 14.286 ( 2.124 0.000 2.183) 3.046 14.433 ( 2.366 0.000 -1.606) 2.859 14.498 ( 1.510 0.000 3.822) 4.109 14.655 ( 2.546 0.000 -3.686) 4.480 17.096 ( -5.598 0.000 -4.335) 7.080 17.104 ( -3.812 0.000 2.451) 4.532 17.191 ( 1.178 0.000 -3.198) 3.408 17.279 ( -5.213 0.000 5.985) 7.937 18.160 ( 0.499 0.000 -1.327) 1.418 18.207 ( -1.643 0.000 -0.785) 1.821 18.362 ( 1.079 0.000 1.803) 2.102 18.364 ( 2.851 0.000 0.988) 3.017 18.827 ( 0.454 0.000 2.763) 2.800 18.902 ( -1.675 0.000 1.725) 2.404 18.911 ( 1.910 0.000 -2.610) 3.234 18.949 ( -0.020 0.000 -3.103) 3.103 18.994 ( 4.158 0.000 -0.335) 4.172 19.038 ( 3.415 0.000 2.786) 4.407 19.169 ( -3.248 0.000 -2.613) 4.168 19.172 ( -1.695 0.000 1.053) 1.996 19.193 ( -1.747 0.000 3.911) 4.283 19.236 ( -0.452 0.000 1.138) 1.225 19.345 ( -3.826 0.000 2.754) 4.714 19.376 ( -3.339 0.000 -2.165) 3.979 19.441 ( -6.593 0.000 -1.449) 6.751 19.573 ( -9.411 0.000 -6.321) 11.337 19.836 ( -3.637 0.000 4.787) 6.012 19.938 ( 3.275 0.000 -9.402) 9.956 20.411 ( 1.666 0.000 6.186) 6.407 20.479 ( 8.618 0.000 -0.712) 8.647 20.895 ( 8.176 0.000 -3.333) 8.829 20.953 ( 14.277 0.000 3.316) 14.657 ======================= Grid point 71 (37/48) ======================= q-point: ( 0.00 0.25 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 1.332 8.369 9.356) 12.624 0.996 ( -1.224 1.753 1.839) 2.820 1.080 ( 2.365 10.483 5.952) 12.285 1.148 ( -5.250 17.970 4.901) 19.352 1.311 ( 2.811 2.491 1.410) 4.012 1.443 ( 2.978 -0.404 2.455) 3.881 1.494 ( 2.666 -3.108 2.892) 5.013 1.619 ( 1.198 -1.744 1.554) 2.625 1.672 ( -5.279 0.905 -4.297) 6.867 1.751 ( -0.476 -0.766 -4.084) 4.183 1.945 ( -1.176 -2.605 5.376) 6.089 1.979 ( -0.935 -6.442 7.438) 9.884 2.011 ( -3.797 -2.490 3.370) 5.654 2.066 ( 3.002 -5.206 -0.157) 6.011 2.087 ( 0.684 0.393 4.681) 4.747 2.143 ( 3.654 1.028 11.297) 11.918 2.210 ( -0.466 -1.733 11.266) 11.408 2.274 ( -5.327 3.321 2.270) 6.675 2.307 ( -0.254 0.243 8.105) 8.112 2.396 ( 3.450 2.474 -1.767) 4.599 2.481 ( 6.783 3.949 -1.292) 7.954 2.507 ( -3.912 0.059 2.735) 4.773 2.554 ( -2.529 -0.235 6.415) 6.900 2.596 ( 0.290 -0.809 -5.832) 5.895 2.646 ( 2.897 -0.193 3.658) 4.670 2.681 ( -2.165 -2.900 -10.373) 10.986 2.757 ( -6.260 1.710 1.839) 6.745 2.773 ( 0.844 0.341 -2.404) 2.570 2.807 ( -2.133 1.349 -0.427) 2.560 2.848 ( -3.354 0.504 -2.851) 4.431 2.916 ( 2.179 0.912 2.861) 3.711 2.973 ( 2.427 2.863 2.225) 4.363 2.988 ( -0.932 -4.262 0.685) 4.416 3.004 ( -1.607 -3.200 -2.999) 4.671 3.079 ( 1.255 -0.375 -2.302) 2.648 3.096 ( -2.770 2.243 -7.180) 8.017 3.122 ( 0.711 3.973 -6.421) 7.584 3.229 ( -0.541 -2.369 -7.556) 7.937 3.284 ( -3.094 1.249 0.065) 3.337 3.316 ( -1.080 3.720 4.374) 5.843 3.338 ( 3.204 1.369 5.419) 6.443 3.377 ( -0.104 1.389 -4.582) 4.789 3.410 ( -1.011 -3.861 -2.142) 4.530 3.450 ( -0.731 -3.921 -3.683) 5.429 3.512 ( -3.354 -3.212 -1.700) 4.946 3.537 ( -0.770 -2.288 -1.841) 3.036 3.582 ( 1.575 -1.576 2.170) 3.111 3.612 ( -1.542 3.164 2.077) 4.087 3.669 ( -1.185 2.356 -3.619) 4.478 3.694 ( -3.813 2.056 0.813) 4.408 3.715 ( -0.303 0.425 -2.974) 3.019 3.770 ( 4.867 2.706 -6.157) 8.301 3.791 ( 6.049 1.562 -0.291) 6.254 3.822 ( -2.919 0.149 -1.889) 3.480 3.895 ( 2.041 -0.344 1.231) 2.408 3.944 ( -1.595 1.604 -1.467) 2.696 3.987 ( 6.361 1.741 0.699) 6.632 4.011 ( -3.165 -1.698 -1.039) 3.739 4.040 ( -2.842 -0.397 1.347) 3.170 4.091 ( 3.434 1.988 3.210) 5.104 4.127 ( 0.654 -1.177 -1.379) 1.928 4.147 ( 5.360 -4.876 4.228) 8.390 4.181 ( -2.203 2.370 0.608) 3.292 4.191 ( -2.843 2.186 -1.179) 3.775 4.288 ( -2.504 -4.433 -0.230) 5.096 4.350 ( 3.689 4.762 4.220) 7.355 4.385 ( -5.593 8.097 -4.439) 10.796 4.443 ( -2.621 -0.115 -1.255) 2.909 4.462 ( 5.472 -1.134 0.976) 5.673 4.498 ( -1.702 -2.574 -3.974) 5.031 4.540 ( 3.962 2.238 -1.184) 4.702 4.564 ( -0.383 -3.295 -2.115) 3.934 4.623 ( -1.567 -0.150 -1.483) 2.162 4.639 ( 4.129 -2.472 -2.768) 5.551 4.664 ( -2.123 -1.156 6.335) 6.780 4.736 ( 3.153 -0.724 1.145) 3.432 4.784 ( -1.971 0.123 -1.204) 2.313 4.802 ( -0.272 0.020 -0.323) 0.423 4.841 ( 1.582 -3.088 4.036) 5.322 4.899 ( 3.285 -1.306 2.739) 4.472 4.939 ( -1.908 3.076 0.106) 3.621 4.976 ( 1.925 -6.730 -1.715) 7.207 5.009 ( 0.289 1.577 -9.047) 9.187 5.045 ( -1.900 -1.712 -5.323) 5.906 5.153 ( 3.156 1.052 -0.465) 3.359 5.174 ( 0.648 1.382 -3.984) 4.267 5.245 ( -0.640 -0.372 3.172) 3.257 5.303 ( 1.485 0.279 0.528) 1.600 5.347 ( 1.137 0.755 -1.049) 1.721 5.370 ( -2.023 0.526 0.329) 2.116 5.430 ( -2.024 -3.831 6.565) 7.866 5.469 ( -0.515 -0.720 2.502) 2.654 5.493 ( 0.442 -0.268 2.316) 2.373 5.589 ( 0.016 -4.205 -1.371) 4.423 5.615 ( 1.476 -2.282 -0.761) 2.822 5.688 ( -1.901 -0.270 -6.462) 6.742 5.767 ( 0.909 1.514 -0.277) 1.787 5.817 ( -1.658 4.881 -3.424) 6.189 5.895 ( -2.170 1.738 4.685) 5.448 5.974 ( -6.875 -2.164 1.664) 7.397 6.026 ( 1.015 -0.968 -0.654) 1.547 6.041 ( 1.449 0.675 -3.249) 3.621 6.127 ( 2.166 -0.884 2.186) 3.202 6.157 ( -0.842 -1.968 -0.275) 2.158 6.266 ( 1.664 -2.636 5.096) 5.974 6.298 ( -4.333 -5.765 1.705) 7.410 6.357 ( 1.661 2.241 0.260) 2.801 6.381 ( 0.335 1.848 -1.918) 2.684 6.458 ( 3.028 -0.918 1.003) 3.320 6.482 ( -1.796 -0.043 -1.151) 2.133 6.616 ( 4.960 0.496 3.035) 5.836 6.658 ( -2.245 0.076 -0.853) 2.403 6.733 ( -0.396 3.090 2.698) 4.121 6.758 ( 0.359 2.868 -0.184) 2.897 6.816 ( -3.155 0.248 1.214) 3.389 6.836 ( 2.486 1.165 -0.845) 2.873 6.931 ( 1.349 -5.250 2.464) 5.954 6.968 ( 0.778 -4.913 0.648) 5.016 6.994 ( -1.780 -0.712 3.383) 3.889 7.046 ( 0.731 -2.710 -1.169) 3.040 7.103 ( 1.688 0.526 0.890) 1.979 7.115 ( -2.541 -0.531 0.592) 2.662 7.205 ( 4.655 0.559 4.546) 6.531 7.271 ( -2.575 -0.802 -1.437) 3.056 7.388 ( -1.669 3.466 1.694) 4.203 7.429 ( 0.125 4.270 -1.998) 4.716 7.459 ( 2.196 1.495 4.251) 5.013 7.558 ( -0.928 0.012 -3.039) 3.177 7.584 ( 0.638 4.620 0.155) 4.666 7.619 ( -4.696 5.910 -4.935) 9.018 7.790 ( 0.053 -0.204 2.770) 2.778 7.850 ( -2.190 -3.590 -3.711) 5.609 8.380 ( 1.337 0.297 3.700) 3.945 8.406 ( 2.393 -0.699 4.684) 5.306 8.460 ( -2.722 0.353 -4.401) 5.187 8.505 ( -2.559 -0.599 -5.138) 5.772 8.681 ( 0.019 -0.400 0.517) 0.654 8.709 ( -0.258 -0.163 -2.058) 2.080 8.760 ( -1.589 -3.893 2.478) 4.881 8.821 ( 2.140 -4.929 -3.046) 6.177 8.983 ( -3.232 3.392 0.129) 4.687 9.017 ( 4.605 2.846 -3.212) 6.294 9.127 ( -0.309 -1.874 -0.299) 1.923 9.137 ( -0.076 -2.822 -1.509) 3.201 9.840 ( -8.605 1.330 7.712) 11.631 9.886 ( -3.757 -0.979 5.509) 6.739 10.006 ( 6.772 2.639 -4.607) 8.605 10.030 ( 4.329 2.026 -4.904) 6.848 10.302 ( -1.389 2.557 6.365) 6.998 10.455 ( 0.297 1.118 -9.316) 9.387 10.525 ( 0.657 -3.883 0.478) 3.967 10.567 ( 1.441 -3.956 -3.945) 5.770 11.059 ( 1.071 -0.160 -1.028) 1.493 11.061 ( 0.022 -0.194 -1.179) 1.195 11.144 ( 1.516 1.047 -0.975) 2.085 11.157 ( 0.785 0.672 -2.295) 2.517 11.529 ( 10.654 0.396 4.843) 11.710 11.557 ( 4.823 -0.139 1.662) 5.103 11.573 ( -5.281 1.347 -0.297) 5.459 11.610 ( -9.810 -0.223 -3.096) 10.289 11.877 ( -0.085 -0.461 1.048) 1.148 11.892 ( -0.057 -1.003 -0.430) 1.093 12.000 ( 1.188 0.786 2.747) 3.094 12.053 ( -1.585 -1.214 -2.685) 3.346 12.519 ( -0.759 -0.120 3.847) 3.923 12.538 ( -0.811 0.166 1.151) 1.418 12.563 ( -0.384 -0.897 2.755) 2.923 12.581 ( -0.911 -0.946 2.491) 2.816 12.756 ( 3.136 3.245 3.792) 5.895 12.847 ( -0.322 2.609 -4.773) 5.449 12.917 ( -0.047 -2.413 2.841) 3.727 12.987 ( 1.263 -2.404 -3.274) 4.254 14.423 ( 1.393 5.116 2.233) 5.753 14.476 ( -1.129 5.168 -3.025) 6.093 14.544 ( 1.014 -0.784 4.447) 4.628 14.630 ( -0.938 -1.394 -4.266) 4.585 17.071 ( -1.654 1.385 0.676) 2.261 17.089 ( 2.238 0.877 -0.788) 2.530 17.191 ( -2.955 -0.640 1.907) 3.574 17.230 ( 4.436 -1.531 -1.869) 5.051 18.198 ( -1.349 3.343 1.103) 3.770 18.225 ( -0.326 3.736 -1.623) 4.086 18.365 ( 0.728 -1.409 1.754) 2.365 18.387 ( 0.831 -1.787 -0.463) 2.024 18.865 ( 0.995 0.239 2.935) 3.108 18.872 ( -1.061 -0.448 2.470) 2.726 18.940 ( -0.211 1.159 -3.575) 3.764 18.946 ( 1.857 0.538 -3.375) 3.889 19.067 ( -1.013 0.889 0.895) 1.618 19.082 ( 0.296 1.259 -0.669) 1.456 19.141 ( 0.709 0.085 2.918) 3.004 19.167 ( 0.278 0.926 0.421) 1.055 19.212 ( -0.167 0.705 3.621) 3.693 19.246 ( 3.438 -0.829 1.595) 3.880 19.301 ( -2.116 0.548 -1.290) 2.538 19.364 ( 1.319 0.226 -2.954) 3.243 19.372 ( -0.141 -1.127 -2.074) 2.365 19.386 ( -4.014 -0.586 -2.199) 4.614 19.804 ( -3.028 1.203 4.069) 5.213 19.913 ( 2.512 -2.785 -6.583) 7.577 20.492 ( -0.517 2.590 5.927) 6.489 20.566 ( 1.042 0.032 -1.216) 1.602 20.926 ( 1.637 -4.646 -0.780) 4.987 20.947 ( -3.527 -6.362 -2.162) 7.588 ======================= Grid point 72 (38/48) ======================= q-point: ( 0.17 0.25 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 3.370 2.807 -0.863) 4.470 1.053 ( 4.214 2.847 2.963) 5.886 1.105 ( -0.138 11.006 -1.040) 11.056 1.182 ( 6.544 13.067 9.452) 17.404 1.390 ( 2.819 3.405 5.021) 6.689 1.493 ( 6.637 -1.387 -5.774) 8.906 1.502 ( -3.328 4.385 -11.301) 12.570 1.629 ( 5.278 -1.632 5.789) 8.002 1.756 ( 7.441 -1.462 0.438) 7.596 1.827 ( 8.982 0.504 1.921) 9.199 1.914 ( -3.240 -7.180 -0.218) 7.880 1.928 ( -5.803 -3.032 0.476) 6.565 1.993 ( -0.531 -3.061 4.751) 5.677 2.066 ( -0.774 1.409 1.157) 1.981 2.142 ( 3.205 -4.115 1.277) 5.369 2.200 ( 2.706 0.177 1.223) 2.975 2.248 ( 2.669 -2.159 1.615) 3.794 2.331 ( -3.018 2.243 2.925) 4.764 2.380 ( 4.422 3.387 0.029) 5.571 2.487 ( 3.970 -0.453 10.458) 11.195 2.500 ( -1.493 -2.197 11.373) 11.679 2.526 ( -4.422 2.986 -9.419) 10.826 2.562 ( 0.773 0.943 1.442) 1.889 2.598 ( 5.238 -3.858 0.289) 6.512 2.629 ( -0.779 -0.396 1.393) 1.644 2.648 ( 0.821 -1.265 -2.547) 2.960 2.707 ( -1.413 4.307 0.693) 4.586 2.770 ( -0.402 -0.395 3.648) 3.691 2.824 ( 1.475 0.513 1.297) 2.030 2.873 ( 5.714 2.633 6.410) 8.982 2.910 ( -2.451 -5.484 -0.774) 6.057 2.955 ( -0.155 1.731 -1.553) 2.330 3.003 ( 0.741 0.472 -4.316) 4.404 3.019 ( 1.344 4.475 1.207) 4.825 3.050 ( -1.267 2.519 -3.087) 4.181 3.074 ( -0.836 -1.241 -2.982) 3.336 3.101 ( 4.048 -0.959 3.970) 5.750 3.140 ( -3.823 0.255 -3.961) 5.511 3.265 ( 0.568 1.246 -0.176) 1.381 3.323 ( -0.374 -0.519 8.023) 8.049 3.330 ( -2.861 -0.041 1.166) 3.089 3.380 ( -1.548 -0.763 1.048) 2.018 3.388 ( -2.842 -1.764 2.711) 4.306 3.462 ( -1.243 -0.837 -0.276) 1.524 3.500 ( 5.290 -1.674 -1.115) 5.659 3.529 ( 3.095 3.058 -1.181) 4.509 3.573 ( -3.204 4.429 -2.826) 6.154 3.592 ( -1.855 3.162 -0.364) 3.684 3.613 ( -1.441 -2.362 0.709) 2.856 3.634 ( -2.148 2.206 1.277) 3.333 3.701 ( -3.876 -0.215 -3.600) 5.295 3.752 ( 1.928 -2.377 -2.733) 4.103 3.803 ( -5.379 0.864 0.473) 5.468 3.817 ( -1.257 1.967 -0.227) 2.345 3.871 ( -2.887 1.561 -3.088) 4.506 3.901 ( -3.570 -0.092 -1.687) 3.950 3.955 ( 0.772 1.935 3.381) 3.971 4.032 ( -0.386 2.925 -1.956) 3.540 4.072 ( -1.386 1.157 -1.905) 2.625 4.096 ( 1.459 -3.811 0.668) 4.135 4.127 ( 1.771 0.537 -1.101) 2.153 4.152 ( -0.892 2.227 0.688) 2.496 4.242 ( 2.885 1.978 0.512) 3.535 4.277 ( 3.214 -1.100 -0.447) 3.427 4.298 ( 1.598 -0.686 0.694) 1.872 4.343 ( 7.169 2.488 -0.546) 7.609 4.398 ( -1.468 -2.620 0.612) 3.065 4.430 ( 1.658 -1.579 -2.765) 3.590 4.490 ( 4.731 -1.979 1.806) 5.437 4.508 ( -3.956 -5.837 -2.214) 7.391 4.569 ( 2.266 -2.568 -1.548) 3.758 4.594 ( 3.678 -1.016 0.000) 3.816 4.616 ( 0.451 1.513 1.360) 2.084 4.641 ( -7.218 3.245 -1.022) 7.979 4.669 ( 4.823 -1.752 -3.274) 6.087 4.693 ( 2.965 -3.728 0.628) 4.804 4.778 ( 0.245 -2.026 -0.367) 2.074 4.833 ( -0.175 -1.590 -3.301) 3.668 4.869 ( 0.358 5.712 2.152) 6.115 4.923 ( 0.960 -2.127 -3.527) 4.229 4.942 ( 1.030 -2.320 -0.125) 2.541 4.990 ( 2.032 -0.910 -6.515) 6.885 5.028 ( 5.667 -1.224 -0.387) 5.811 5.080 ( 2.698 -0.623 -2.643) 3.828 5.099 ( 0.776 2.009 -2.491) 3.293 5.225 ( 1.538 2.649 -2.959) 4.258 5.257 ( -0.176 1.981 1.664) 2.593 5.303 ( -2.803 0.017 0.812) 2.918 5.330 ( 3.480 -1.009 -3.152) 4.802 5.390 ( 1.384 -0.518 2.157) 2.615 5.429 ( -0.722 -3.142 6.267) 7.047 5.489 ( -0.643 -0.371 -0.801) 1.092 5.501 ( -1.415 -1.828 6.559) 6.954 5.538 ( -3.389 -2.885 -4.600) 6.401 5.621 ( -0.130 -0.842 -5.398) 5.465 5.637 ( 0.483 -2.294 -0.372) 2.374 5.780 ( 1.050 1.220 2.942) 3.354 5.811 ( -2.467 2.916 0.453) 3.847 5.862 ( 1.827 3.894 1.537) 4.567 5.878 ( -5.407 2.794 3.744) 7.146 6.017 ( -2.248 0.600 0.735) 2.440 6.086 ( 2.420 -0.129 3.113) 3.945 6.154 ( -0.398 2.672 -0.528) 2.752 6.171 ( -2.063 0.347 -0.085) 2.093 6.249 ( -1.241 -3.057 1.121) 3.485 6.294 ( -1.143 -4.775 1.826) 5.238 6.335 ( -6.490 4.092 -2.447) 8.053 6.375 ( 0.744 -4.182 1.070) 4.380 6.428 ( 0.540 -3.577 1.445) 3.896 6.504 ( -0.588 -0.421 -3.546) 3.619 6.569 ( -2.765 -2.351 -1.156) 3.809 6.632 ( -6.513 0.049 -0.460) 6.529 6.699 ( -3.414 3.496 1.924) 5.252 6.703 ( -2.759 4.550 -0.994) 5.414 6.761 ( -2.512 -0.734 1.582) 3.058 6.824 ( -3.038 -0.561 -0.334) 3.107 6.922 ( -4.079 -2.650 -1.692) 5.151 6.975 ( 0.157 -5.868 0.425) 5.886 7.006 ( 0.261 -1.629 2.794) 3.245 7.042 ( -5.452 -0.559 -0.571) 5.510 7.081 ( -3.199 -3.878 -1.648) 5.291 7.137 ( 0.189 -0.425 2.487) 2.530 7.164 ( -2.364 1.536 -1.576) 3.230 7.253 ( -1.677 1.264 2.524) 3.283 7.355 ( -1.858 2.793 0.552) 3.399 7.428 ( 0.420 3.601 1.203) 3.820 7.471 ( 0.754 0.247 -0.311) 0.853 7.545 ( 0.258 2.050 -0.420) 2.109 7.589 ( -0.166 2.646 -1.324) 2.963 7.654 ( 5.748 7.357 3.987) 10.152 7.763 ( -4.533 0.707 1.535) 4.838 7.797 ( -1.859 -1.232 0.518) 2.290 8.384 ( -2.379 -0.669 -0.649) 2.555 8.401 ( -1.583 -0.570 -0.617) 1.792 8.438 ( 0.496 0.622 1.718) 1.894 8.471 ( -0.481 0.335 2.496) 2.564 8.639 ( -2.659 0.776 0.022) 2.770 8.725 ( 2.263 0.283 -0.247) 2.294 8.755 ( 0.221 -1.170 2.347) 2.631 8.877 ( 4.198 -7.427 -2.393) 8.860 8.970 ( 2.491 0.733 0.663) 2.680 9.101 ( 0.212 -4.056 -0.353) 4.077 9.142 ( 9.325 1.484 -3.309) 10.005 9.195 ( 4.584 -0.795 -0.419) 4.671 9.756 ( -4.144 2.064 7.456) 8.776 9.846 ( -3.090 -1.675 5.941) 6.903 10.026 ( -1.670 3.594 -3.172) 5.076 10.107 ( 4.773 1.824 -6.465) 8.240 10.351 ( 0.905 -1.407 3.559) 3.933 10.415 ( -2.301 -2.447 -1.029) 3.513 10.486 ( 0.410 0.698 -8.133) 8.173 10.613 ( 1.451 -2.080 -2.380) 3.478 11.042 ( -0.272 0.256 -1.096) 1.158 11.077 ( 0.716 -1.294 -1.599) 2.178 11.141 ( -0.999 0.821 -2.212) 2.562 11.143 ( -0.260 0.582 -2.727) 2.800 11.448 ( 0.298 2.483 -0.791) 2.623 11.551 ( 3.170 -1.381 0.564) 3.503 11.619 ( 1.003 2.415 0.845) 2.748 11.708 ( 3.043 -0.814 2.524) 4.037 11.910 ( 3.476 1.271 0.094) 3.702 11.968 ( 7.372 -0.720 1.259) 7.514 12.043 ( 1.328 0.482 -2.372) 2.761 12.106 ( 8.758 -2.409 3.759) 9.830 12.514 ( -1.620 0.362 2.268) 2.810 12.538 ( 0.045 -0.318 1.440) 1.476 12.563 ( -1.321 -0.438 2.713) 3.049 12.578 ( -0.783 -1.342 2.019) 2.548 12.788 ( -1.841 1.698 -1.458) 2.898 12.804 ( -0.805 2.970 -3.698) 4.811 12.887 ( -5.221 -1.688 1.845) 5.789 12.964 ( -1.155 -2.598 -4.390) 5.230 14.380 ( -3.624 3.883 -0.232) 5.316 14.476 ( -0.284 5.723 -0.926) 5.805 14.541 ( -3.024 -2.458 0.931) 4.006 14.592 ( -1.169 -0.004 -1.138) 1.631 17.056 ( 0.697 0.823 0.969) 1.450 17.110 ( -0.988 -1.592 1.389) 2.332 17.202 ( 4.631 2.213 -2.530) 5.723 17.337 ( 7.237 -3.760 -3.353) 8.818 18.174 ( -1.316 3.709 1.542) 4.227 18.229 ( -0.048 2.836 1.401) 3.164 18.370 ( -0.551 -0.300 -0.627) 0.887 18.387 ( -0.111 -1.328 -1.841) 2.273 18.866 ( -1.010 0.196 1.526) 1.841 18.894 ( 0.369 -0.660 1.515) 1.693 18.912 ( -0.400 2.100 -2.761) 3.492 18.965 ( 2.491 -0.223 -3.881) 4.617 19.021 ( -2.621 3.220 0.767) 4.222 19.108 ( -0.581 2.120 -0.769) 2.328 19.134 ( 0.426 0.445 1.413) 1.541 19.190 ( 1.575 -0.444 -0.844) 1.841 19.216 ( -0.660 -1.514 -0.300) 1.678 19.288 ( -0.345 0.122 -0.621) 0.721 19.332 ( 2.220 1.428 1.118) 2.867 19.357 ( 7.952 -1.480 -0.710) 8.120 19.408 ( 4.276 -0.959 0.518) 4.413 19.461 ( 6.885 -1.793 2.216) 7.451 19.783 ( -1.909 2.179 5.398) 6.126 19.925 ( 2.645 -2.954 -5.751) 6.985 20.451 ( -7.303 1.727 3.295) 8.196 20.503 ( -6.125 -0.331 -2.086) 6.479 20.802 ( -10.684 -2.523 2.431) 11.244 20.894 ( -5.309 -5.446 0.037) 7.606 ======================= Grid point 73 (39/48) ======================= q-point: ( 0.33 0.25 -0.60) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -3.596 7.309 3.516) 8.872 1.105 ( 4.924 -1.430 -2.759) 5.822 1.126 ( 2.196 1.915 -1.165) 3.138 1.323 ( 0.392 1.354 -4.699) 4.905 1.460 ( 4.979 16.843 0.696) 17.577 1.475 ( 4.316 2.020 4.936) 6.860 1.609 ( 9.351 -2.182 -3.989) 10.398 1.735 ( 2.750 -3.232 -2.091) 4.731 1.795 ( -3.745 -0.790 -0.397) 3.848 1.845 ( 2.334 0.546 -4.743) 5.314 1.926 ( 3.019 -4.747 1.366) 5.789 1.997 ( 3.774 2.374 8.619) 9.704 2.025 ( 3.314 4.990 -0.348) 6.000 2.079 ( 0.255 -4.278 1.897) 4.687 2.189 ( 3.356 2.583 -2.783) 5.068 2.216 ( -1.332 -0.378 4.506) 4.714 2.308 ( 0.164 4.911 0.218) 4.918 2.350 ( -2.962 -2.717 5.620) 6.909 2.408 ( 3.016 2.956 1.183) 4.386 2.420 ( 1.977 -1.152 -7.210) 7.564 2.510 ( 0.878 0.225 3.815) 3.921 2.544 ( -0.696 -3.294 1.214) 3.579 2.580 ( -3.788 -5.687 3.759) 7.799 2.601 ( 0.076 1.097 2.097) 2.368 2.642 ( -6.509 -0.828 2.592) 7.055 2.688 ( 2.241 -4.351 1.917) 5.256 2.730 ( 4.542 -1.569 0.773) 4.867 2.777 ( 0.904 -0.447 1.789) 2.054 2.840 ( 2.328 -4.272 -1.911) 5.227 2.871 ( 0.488 -2.578 -1.605) 3.076 2.904 ( -1.326 2.171 1.027) 2.744 2.937 ( -4.233 -1.728 -1.246) 4.739 2.987 ( -1.971 -1.563 2.204) 3.345 3.002 ( -0.937 2.982 -1.942) 3.680 3.058 ( 1.061 3.519 -1.457) 3.954 3.132 ( 4.978 1.079 1.131) 5.218 3.152 ( 4.734 2.275 4.428) 6.870 3.229 ( -0.663 2.624 3.238) 4.220 3.243 ( 1.700 -0.266 1.874) 2.544 3.313 ( -2.955 -0.446 2.225) 3.725 3.370 ( 1.243 -0.800 5.751) 5.938 3.400 ( -0.450 -0.727 1.691) 1.895 3.415 ( 0.901 1.272 1.777) 2.363 3.452 ( 4.273 1.861 8.408) 9.614 3.475 ( 0.069 -1.360 -4.620) 4.816 3.518 ( -7.008 2.388 -2.322) 7.759 3.551 ( -0.448 1.139 -3.401) 3.614 3.572 ( -1.400 6.216 -1.391) 6.522 3.584 ( -4.002 4.218 1.788) 6.083 3.629 ( -1.610 1.330 -0.984) 2.308 3.673 ( 2.254 -2.925 -0.643) 3.749 3.699 ( 2.123 1.892 6.343) 6.951 3.752 ( 2.341 2.860 -3.290) 4.948 3.805 ( 0.174 4.524 -1.300) 4.711 3.848 ( 1.912 -1.338 4.781) 5.320 3.919 ( -2.531 0.106 0.319) 2.554 3.930 ( 1.782 -1.697 1.447) 2.854 3.990 ( -1.831 2.442 -0.619) 3.114 4.047 ( -0.969 -1.337 -2.527) 3.019 4.092 ( -1.732 3.530 -4.284) 5.815 4.102 ( -2.225 5.027 -3.846) 6.709 4.173 ( 1.522 3.412 0.535) 3.774 4.215 ( -3.237 -2.866 -0.475) 4.349 4.270 ( 0.386 -3.105 -1.599) 3.514 4.319 ( -4.066 -6.923 -1.930) 8.257 4.381 ( -0.005 -4.677 -2.408) 5.261 4.400 ( -3.515 -0.067 -1.433) 3.796 4.440 ( 0.679 0.071 1.715) 1.846 4.488 ( 1.881 -1.004 -1.774) 2.774 4.516 ( -1.375 -4.365 -2.276) 5.111 4.566 ( 0.069 -2.530 0.793) 2.652 4.586 ( -0.564 0.973 -3.269) 3.457 4.649 ( 5.737 -0.747 1.906) 6.092 4.690 ( 3.608 1.857 0.949) 4.167 4.766 ( -2.508 -0.669 2.440) 3.562 4.771 ( 5.629 -1.759 1.874) 6.188 4.786 ( 7.700 -4.776 -1.180) 9.138 4.819 ( 2.906 -1.319 -1.942) 3.736 4.915 ( 5.114 1.438 -4.988) 7.287 4.937 ( -0.478 0.874 -7.134) 7.203 4.952 ( 1.223 3.964 3.802) 5.628 4.983 ( 2.342 -3.670 -3.591) 5.644 5.065 ( 5.016 2.921 -3.648) 6.856 5.086 ( -0.758 -3.562 -1.209) 3.837 5.193 ( 3.153 1.360 0.750) 3.515 5.218 ( -1.910 -0.754 -2.230) 3.031 5.233 ( 0.905 -0.174 -3.411) 3.533 5.308 ( 4.573 2.512 2.246) 5.680 5.390 ( -4.484 -3.396 2.994) 6.372 5.411 ( 0.486 -2.174 -1.566) 2.723 5.425 ( 1.459 -0.443 -2.000) 2.515 5.463 ( 0.057 -1.829 1.986) 2.701 5.488 ( -0.196 -0.552 0.461) 0.746 5.538 ( 2.447 -2.334 -0.905) 3.501 5.599 ( 0.426 -1.581 -2.514) 3.000 5.629 ( -0.785 -2.295 -0.792) 2.552 5.779 ( 0.279 1.083 1.445) 1.827 5.820 ( -0.841 3.483 1.708) 3.969 5.846 ( -0.455 5.701 2.908) 6.416 5.900 ( 0.474 0.206 4.510) 4.540 5.971 ( -3.418 3.643 0.114) 4.997 6.039 ( -6.603 9.404 -4.329) 12.280 6.128 ( -1.924 -0.396 0.406) 2.006 6.136 ( -3.859 -0.225 -1.242) 4.060 6.179 ( -1.706 0.058 2.355) 2.909 6.231 ( -1.022 -2.517 0.691) 2.803 6.313 ( -1.119 -1.695 -0.499) 2.092 6.363 ( -2.288 -1.588 1.948) 3.399 6.384 ( -9.655 -0.068 -0.303) 9.660 6.461 ( -1.345 0.546 0.491) 1.532 6.477 ( -4.468 1.376 -2.062) 5.109 6.583 ( 0.805 -11.171 0.263) 11.203 6.656 ( -1.603 1.566 -0.706) 2.350 6.678 ( -1.192 0.713 0.212) 1.405 6.728 ( -3.204 -0.153 2.243) 3.914 6.767 ( -1.221 -0.817 0.023) 1.469 6.851 ( -2.075 -1.533 -0.194) 2.587 6.892 ( -5.650 1.711 -0.522) 5.926 6.979 ( -3.734 -4.025 0.719) 5.537 6.982 ( -0.828 -3.946 0.401) 4.051 7.043 ( 0.941 -0.603 0.397) 1.186 7.107 ( -6.111 0.195 2.214) 6.503 7.112 ( -5.549 1.591 0.515) 5.795 7.210 ( -1.049 -3.063 -2.386) 4.022 7.393 ( 4.758 1.184 0.720) 4.956 7.444 ( 0.147 1.485 1.938) 2.445 7.509 ( 1.761 2.158 0.542) 2.837 7.542 ( -0.420 0.762 0.101) 0.876 7.570 ( 0.388 3.543 -2.130) 4.152 7.681 ( -3.934 4.937 -0.294) 6.320 7.744 ( 0.953 4.900 2.172) 5.444 7.794 ( 0.198 -2.057 1.986) 2.866 8.378 ( 0.636 0.348 -0.039) 0.726 8.385 ( 0.477 -0.374 1.190) 1.336 8.460 ( -1.429 0.485 2.573) 2.983 8.477 ( 1.735 -0.328 4.758) 5.075 8.617 ( -0.240 1.393 1.157) 1.827 8.732 ( -0.616 2.287 -1.400) 2.752 8.831 ( 4.729 -2.825 2.672) 6.123 8.927 ( 3.062 -8.063 -2.340) 8.937 9.046 ( 3.608 -1.241 1.838) 4.235 9.134 ( 3.573 -3.920 1.620) 5.546 9.258 ( 4.120 1.627 -4.191) 6.098 9.269 ( 4.725 0.882 -1.966) 5.193 9.763 ( -0.626 1.829 7.182) 7.437 9.854 ( -0.522 -1.656 6.649) 6.872 9.975 ( -1.871 3.241 -2.582) 4.547 10.083 ( -1.048 0.595 -8.269) 8.356 10.313 ( -5.256 -1.440 -0.174) 5.452 10.360 ( -3.052 -4.360 -0.106) 5.324 10.449 ( 0.841 3.031 -9.482) 9.990 10.554 ( -4.240 -1.067 -4.856) 6.534 11.035 ( 0.284 0.441 -1.051) 1.175 11.072 ( -0.226 -0.785 -1.872) 2.043 11.119 ( -0.332 0.235 -0.792) 0.890 11.137 ( 1.150 -0.462 -2.712) 2.982 11.577 ( 6.068 1.576 2.708) 6.829 11.630 ( 1.550 2.982 0.586) 3.412 11.688 ( 7.684 -2.043 2.916) 8.469 11.757 ( 4.591 -0.574 2.994) 5.511 11.961 ( 4.369 1.423 2.173) 5.083 12.008 ( 1.507 0.182 -0.858) 1.743 12.209 ( 11.155 0.419 3.405) 11.670 12.278 ( 6.820 -0.795 4.798) 8.376 12.502 ( -0.886 0.741 2.219) 2.502 12.547 ( -0.080 -0.402 0.953) 1.037 12.555 ( -0.620 -0.056 1.814) 1.918 12.576 ( -0.469 -0.827 1.535) 1.806 12.692 ( -8.526 0.377 -1.738) 8.709 12.736 ( -6.734 -0.191 -2.078) 7.050 12.769 ( -4.511 2.004 -3.782) 6.218 12.903 ( -2.346 -2.274 -6.541) 7.311 14.339 ( -1.128 2.988 0.111) 3.196 14.432 ( -2.792 4.783 -2.716) 6.168 14.499 ( -1.472 -2.351 0.135) 2.777 14.553 ( -2.479 -0.229 -0.857) 2.633 17.108 ( 2.858 -0.656 3.504) 4.569 17.118 ( 1.047 -1.295 3.065) 3.488 17.262 ( 3.513 2.051 -3.694) 5.495 17.407 ( 3.177 -4.408 -5.985) 8.083 18.177 ( 0.113 2.733 2.423) 3.654 18.234 ( -0.274 3.051 2.686) 4.074 18.339 ( -1.675 -0.209 -2.849) 3.311 18.371 ( -0.213 0.382 -2.142) 2.186 18.853 ( -1.322 0.671 1.210) 1.914 18.882 ( -0.322 1.917 -2.003) 2.791 18.907 ( -0.384 -0.987 0.376) 1.124 18.979 ( 1.460 -1.006 -4.860) 5.173 18.996 ( -0.817 4.656 1.193) 4.875 19.072 ( -1.173 5.245 -2.348) 5.865 19.175 ( 1.572 -1.443 2.235) 3.090 19.202 ( 0.165 -0.528 -0.368) 0.665 19.211 ( 0.811 -0.953 -1.147) 1.698 19.271 ( 0.117 -0.298 -2.806) 2.824 19.424 ( 5.317 0.580 3.845) 6.587 19.488 ( 3.876 -3.514 2.503) 5.800 19.521 ( 8.965 -1.192 -0.599) 9.064 19.588 ( 4.874 -0.329 4.523) 6.657 19.812 ( 2.068 0.471 3.723) 4.285 19.929 ( 0.698 -2.481 -5.356) 5.944 20.303 ( -9.074 1.187 2.171) 9.405 20.380 ( -5.738 -1.687 0.182) 5.983 20.639 ( -9.992 0.374 4.953) 11.158 20.756 ( -7.857 -3.973 -4.224) 9.765 ======================= Grid point 74 (40/48) ======================= q-point: (-0.50 0.25 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -7.136 3.054 8.745) 11.693 1.156 ( 5.190 1.551 -6.962) 8.822 1.165 ( -1.394 0.617 2.958) 3.328 1.244 ( -2.091 -1.320 -6.400) 6.861 1.507 ( -5.920 7.748 5.155) 11.030 1.569 ( 1.983 3.091 3.927) 5.377 1.657 ( -0.202 3.639 -4.370) 5.691 1.726 ( 3.459 0.308 -5.599) 6.589 1.798 ( -0.894 4.885 1.269) 5.125 1.844 ( -0.208 -2.094 -2.147) 3.006 1.962 ( -2.152 0.028 3.629) 4.219 2.022 ( 0.460 0.689 -2.831) 2.950 2.094 ( 2.107 2.325 3.766) 4.902 2.102 ( -0.626 2.879 2.022) 3.573 2.204 ( -3.786 0.937 5.948) 7.113 2.234 ( 0.173 4.404 10.202) 11.114 2.272 ( -2.867 2.059 -4.097) 5.408 2.361 ( 0.992 -3.611 3.243) 4.953 2.416 ( -5.342 -3.872 0.160) 6.599 2.437 ( -1.359 0.645 3.751) 4.041 2.494 ( 0.354 -1.854 -0.067) 1.889 2.509 ( -4.490 -5.238 0.003) 6.899 2.558 ( 0.860 -5.734 -1.450) 5.977 2.601 ( 4.049 -4.699 -4.117) 7.445 2.682 ( 5.316 0.595 6.358) 8.309 2.688 ( -2.607 0.733 3.541) 4.458 2.769 ( -0.227 2.333 -1.367) 2.713 2.781 ( -1.485 -1.029 -0.696) 1.936 2.846 ( -1.758 -2.902 0.244) 3.401 2.862 ( -1.512 -2.550 0.736) 3.054 2.901 ( 1.387 -2.963 -1.303) 3.521 2.963 ( -0.179 -6.117 -4.401) 7.538 2.986 ( 6.854 1.065 1.074) 7.019 3.011 ( 1.069 2.502 1.380) 3.051 3.066 ( 0.352 6.027 4.334) 7.432 3.107 ( -5.046 4.263 0.079) 6.606 3.191 ( -1.260 1.580 4.476) 4.912 3.261 ( -4.646 0.829 4.836) 6.757 3.282 ( 2.478 0.968 1.834) 3.231 3.313 ( -5.352 3.099 -0.529) 6.207 3.318 ( 0.073 2.302 1.082) 2.545 3.380 ( 3.794 0.713 1.453) 4.125 3.397 ( 1.980 -0.168 0.510) 2.051 3.440 ( 1.068 0.145 -3.724) 3.877 3.485 ( 0.863 -2.144 1.786) 2.921 3.495 ( -2.902 0.343 -0.810) 3.032 3.563 ( 3.091 -0.506 -4.665) 5.619 3.590 ( 1.574 3.572 1.363) 4.134 3.604 ( 4.114 3.114 -2.786) 5.864 3.647 ( 2.535 1.649 2.826) 4.139 3.700 ( 2.354 2.891 -4.702) 6.000 3.730 ( -5.566 -0.331 6.737) 8.745 3.748 ( -0.155 0.483 -2.963) 3.006 3.840 ( -0.460 -1.957 -1.487) 2.500 3.889 ( 6.104 3.194 0.737) 6.928 3.927 ( -2.505 0.322 -1.007) 2.719 3.969 ( -1.987 1.278 2.465) 3.414 3.981 ( 1.187 2.386 0.518) 2.715 4.018 ( 0.419 -2.196 6.593) 6.961 4.070 ( 1.782 4.303 0.781) 4.722 4.085 ( -1.788 -3.034 2.743) 4.464 4.126 ( 4.879 0.457 -4.375) 6.569 4.231 ( 1.358 -0.174 -3.144) 3.429 4.247 ( -2.026 -2.814 -5.047) 6.123 4.260 ( -4.023 0.331 -6.911) 8.003 4.322 ( 0.632 -0.725 5.285) 5.372 4.377 ( -0.940 -1.585 5.616) 5.910 4.422 ( -0.611 -0.876 -9.947) 10.004 4.475 ( -1.461 -2.371 -1.870) 3.355 4.502 ( -0.599 0.156 -3.454) 3.509 4.553 ( 1.189 -2.471 2.665) 3.823 4.608 ( 1.798 4.260 -0.257) 4.631 4.645 ( -1.268 -5.144 -2.053) 5.682 4.733 ( -3.119 0.564 6.908) 7.600 4.773 ( 1.140 1.959 -2.030) 3.043 4.831 ( -3.319 -3.264 0.403) 4.672 4.848 ( 1.134 1.042 -2.675) 3.086 4.865 ( 2.506 -3.406 -0.568) 4.266 4.942 ( 2.159 1.266 -2.824) 3.773 4.967 ( 6.031 -1.467 -3.283) 7.022 4.987 ( -3.786 -2.142 3.927) 5.860 5.006 ( -1.981 -2.478 -2.104) 3.807 5.039 ( 2.465 -1.664 -1.741) 3.446 5.105 ( -1.996 1.853 -2.389) 3.624 5.186 ( 1.584 2.444 -2.693) 3.967 5.232 ( 2.699 -0.752 -4.101) 4.967 5.280 ( -4.609 -1.389 0.262) 4.821 5.295 ( 4.162 0.820 -1.255) 4.424 5.378 ( 0.760 2.573 1.821) 3.243 5.420 ( -0.847 -3.407 -0.102) 3.512 5.425 ( 1.644 -4.706 -0.793) 5.047 5.441 ( 0.543 1.088 -3.281) 3.499 5.539 ( 3.307 -4.441 -0.220) 5.541 5.555 ( -0.505 -2.132 -2.278) 3.161 5.601 ( -1.360 -3.805 0.715) 4.103 5.620 ( 0.610 -1.154 -0.781) 1.521 5.782 ( 3.146 8.682 1.422) 9.343 5.823 ( -3.754 6.016 -2.030) 7.376 5.841 ( 1.448 4.400 3.492) 5.801 5.897 ( -1.797 4.671 -1.867) 5.342 5.934 ( 1.009 -1.583 4.113) 4.521 6.007 ( -2.755 0.476 0.886) 2.933 6.065 ( 0.915 0.918 -1.984) 2.370 6.092 ( -1.335 0.461 -1.167) 1.832 6.167 ( 1.076 3.001 1.721) 3.623 6.213 ( -2.990 1.259 -1.738) 3.681 6.289 ( 0.904 -2.778 4.250) 5.158 6.309 ( -0.033 -3.444 2.533) 4.275 6.337 ( -1.272 0.866 2.449) 2.892 6.401 ( -0.586 -0.292 -2.961) 3.032 6.506 ( 4.097 -3.132 3.579) 6.278 6.574 ( -3.750 -6.866 -2.080) 8.095 6.610 ( -1.649 -0.585 0.979) 2.005 6.641 ( -0.611 -1.535 -1.930) 2.541 6.704 ( -0.662 1.151 3.204) 3.468 6.754 ( 0.783 1.161 -1.720) 2.218 6.842 ( -0.699 0.766 2.005) 2.258 6.848 ( -0.605 0.640 1.502) 1.741 6.955 ( -0.732 -2.461 2.298) 3.446 6.981 ( -1.015 -2.516 0.070) 2.714 7.021 ( -0.728 1.440 0.706) 1.762 7.045 ( 1.968 0.619 -2.178) 3.000 7.106 ( 3.060 -2.971 1.928) 4.681 7.168 ( -2.198 -4.457 -3.994) 6.376 7.441 ( -0.758 0.459 2.768) 2.906 7.476 ( 2.241 1.567 0.780) 2.843 7.505 ( -2.213 -1.065 -0.462) 2.499 7.535 ( 1.622 1.018 -1.886) 2.687 7.608 ( 3.121 5.373 0.294) 6.221 7.613 ( -3.567 6.093 -0.296) 7.067 7.764 ( -0.526 1.285 2.476) 2.839 7.791 ( 0.185 -0.186 -0.403) 0.481 8.365 ( -2.985 1.449 2.923) 4.422 8.411 ( 2.856 1.413 -1.524) 3.532 8.474 ( -0.444 -2.757 5.554) 6.216 8.538 ( 2.161 -2.690 -0.130) 3.453 8.643 ( 2.270 2.338 2.625) 4.184 8.697 ( -1.844 2.381 -2.652) 4.013 8.890 ( -0.176 -5.172 2.291) 5.660 8.945 ( 0.403 -7.894 -3.119) 8.498 9.113 ( 2.269 2.185 4.882) 5.810 9.205 ( 1.003 -1.469 0.914) 2.000 9.244 ( -1.793 2.434 -3.716) 4.790 9.290 ( -1.183 0.425 -3.845) 4.045 9.792 ( -0.773 1.878 7.642) 7.907 9.881 ( -0.820 -1.321 7.085) 7.254 9.938 ( 0.365 3.064 -5.066) 5.932 10.038 ( 0.847 -0.628 -7.436) 7.510 10.235 ( -2.595 0.474 2.327) 3.517 10.329 ( 1.396 -3.069 -4.085) 5.297 10.433 ( 2.117 -0.120 -4.593) 5.059 10.469 ( -1.315 -0.932 -5.502) 5.733 11.038 ( 0.310 0.267 -0.061) 0.414 11.057 ( -0.190 0.056 -1.858) 1.869 11.113 ( -0.162 0.009 -0.339) 0.376 11.143 ( 1.329 -0.790 -3.132) 3.493 11.618 ( 0.586 2.355 1.457) 2.831 11.632 ( -1.877 2.417 0.077) 3.061 11.779 ( 2.764 -1.390 2.395) 3.913 11.804 ( -3.323 -2.051 0.123) 3.907 12.115 ( 10.003 1.857 8.073) 12.988 12.188 ( 8.780 -1.368 6.207) 10.839 12.267 ( -6.028 0.840 -4.174) 7.380 12.342 ( -4.407 -2.133 -4.263) 6.492 12.482 ( -5.840 2.512 6.549) 9.127 12.518 ( -2.306 0.936 2.166) 3.299 12.545 ( -1.183 -0.400 1.724) 2.129 12.580 ( 1.123 0.890 -2.100) 2.543 12.605 ( -3.255 -1.182 5.863) 6.809 12.633 ( 4.493 -1.284 3.828) 6.040 12.706 ( 0.252 2.685 -8.525) 8.942 12.822 ( -0.844 -1.884 -8.872) 9.109 14.327 ( -1.460 3.207 2.199) 4.154 14.388 ( 0.927 4.089 -4.187) 5.925 14.477 ( -2.399 -1.603 2.426) 3.770 14.532 ( 2.399 -1.394 -3.177) 4.218 17.143 ( -0.112 -0.358 3.866) 3.884 17.185 ( 1.865 -2.735 2.623) 4.223 17.282 ( 0.789 1.531 -1.084) 2.035 17.381 ( -1.636 -3.427 -7.916) 8.780 18.193 ( -0.027 2.983 3.213) 4.385 18.257 ( 1.642 3.180 -0.776) 3.663 18.295 ( -1.768 -0.144 0.550) 1.857 18.354 ( -0.260 0.024 -2.725) 2.738 18.835 ( -1.403 1.167 1.751) 2.529 18.878 ( 1.190 1.510 -2.250) 2.959 18.900 ( -0.803 -1.331 1.344) 2.055 18.965 ( 0.493 -1.274 -4.982) 5.166 18.999 ( -0.093 4.709 1.909) 5.082 19.048 ( 0.252 6.733 -3.040) 7.391 19.192 ( -0.588 -2.229 1.879) 2.974 19.205 ( -0.511 -0.286 0.199) 0.618 19.219 ( 0.554 -0.061 0.377) 0.673 19.259 ( -0.114 -0.671 -2.798) 2.880 19.491 ( -4.368 -2.060 4.663) 6.713 19.528 ( 3.174 -1.570 2.319) 4.233 19.632 ( -1.336 3.376 3.452) 5.010 19.711 ( 9.000 -2.232 -4.895) 10.486 19.831 ( -0.376 -3.624 1.011) 3.781 19.888 ( -2.431 -3.415 -4.699) 6.297 20.261 ( 2.926 1.134 6.526) 7.241 20.321 ( -1.980 -1.333 0.100) 2.388 20.523 ( -5.115 1.965 5.857) 8.021 20.647 ( 1.012 -2.685 -6.104) 6.744 ======================= Grid point 75 (41/48) ======================= q-point: (-0.33 0.25 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -4.142 2.397 12.321) 13.218 1.080 ( -6.971 -4.712 1.212) 8.501 1.156 ( -5.142 7.804 -2.421) 9.654 1.246 ( 3.371 5.218 0.525) 6.234 1.375 ( -8.470 6.481 6.839) 12.669 1.561 ( -9.134 5.631 3.479) 11.280 1.607 ( -5.319 0.749 -3.881) 6.627 1.678 ( -0.271 5.238 -3.869) 6.517 1.798 ( -1.523 -5.224 1.819) 5.737 1.821 ( -0.613 1.117 -0.708) 1.458 1.941 ( -0.945 -1.972 1.684) 2.760 2.013 ( -2.040 -0.136 7.291) 7.573 2.054 ( -4.360 4.377 -2.670) 6.730 2.102 ( -10.725 1.918 7.471) 13.211 2.147 ( -4.304 4.505 -3.212) 7.010 2.166 ( -0.351 3.815 7.235) 8.186 2.266 ( -9.769 -8.533 4.250) 13.650 2.308 ( -1.143 1.122 -2.130) 2.665 2.383 ( 4.157 -2.845 9.620) 10.859 2.407 ( -4.247 -4.617 0.512) 6.294 2.456 ( -7.167 0.840 3.778) 8.146 2.505 ( 0.868 1.572 3.727) 4.137 2.562 ( 1.914 -3.004 -0.913) 3.677 2.653 ( -0.977 1.052 -1.939) 2.413 2.706 ( 5.062 -0.754 -1.124) 5.240 2.720 ( -2.318 -0.798 1.195) 2.728 2.761 ( -1.263 -3.385 4.602) 5.851 2.797 ( 2.365 -1.234 -5.786) 6.371 2.810 ( -2.310 -4.340 1.673) 5.193 2.843 ( 0.097 -0.662 -1.209) 1.381 2.893 ( -0.401 1.048 2.889) 3.099 2.935 ( 2.973 -2.819 -5.457) 6.824 3.002 ( -3.394 1.136 -0.894) 3.689 3.043 ( 1.108 4.961 -1.936) 5.440 3.081 ( 2.663 -1.380 -2.801) 4.104 3.170 ( 5.570 3.186 5.560) 8.491 3.190 ( -0.947 -0.705 1.013) 1.556 3.217 ( -1.400 4.809 0.922) 5.093 3.268 ( -1.165 -0.608 0.465) 1.394 3.333 ( -1.099 1.463 0.721) 1.967 3.371 ( 3.943 -3.447 0.874) 5.310 3.412 ( 0.567 3.132 -1.035) 3.347 3.431 ( 2.212 0.789 -3.241) 4.002 3.450 ( 1.758 -0.504 -0.524) 1.903 3.499 ( 1.652 -4.410 -0.052) 4.710 3.504 ( 0.605 -4.358 1.119) 4.539 3.557 ( 0.846 -1.636 3.406) 3.872 3.578 ( -0.104 3.294 -5.186) 6.145 3.606 ( -2.093 0.422 -1.965) 2.902 3.674 ( 0.185 4.902 -4.055) 6.365 3.717 ( 4.868 1.288 -4.811) 6.964 3.741 ( 1.843 2.261 -3.900) 4.870 3.775 ( 2.446 -1.470 0.983) 3.018 3.848 ( 2.610 5.941 5.588) 8.564 3.892 ( 0.186 -2.235 0.247) 2.256 3.919 ( -1.660 4.253 4.798) 6.623 3.971 ( 0.377 7.150 -7.308) 10.231 3.981 ( -1.018 1.771 -0.830) 2.205 4.030 ( -0.618 -3.455 -2.357) 4.228 4.068 ( -1.916 3.345 1.738) 4.228 4.131 ( -1.029 -5.057 -5.821) 7.779 4.158 ( 4.548 -1.396 -2.458) 5.355 4.226 ( -0.666 -4.194 -5.576) 7.009 4.238 ( 0.654 1.590 7.568) 7.761 4.269 ( 4.079 0.555 -0.037) 4.117 4.296 ( -0.320 0.690 2.875) 2.974 4.345 ( -2.289 1.702 5.259) 5.983 4.404 ( 2.485 0.058 -4.106) 4.800 4.440 ( -0.333 -0.420 -1.998) 2.069 4.545 ( 0.307 0.254 2.266) 2.301 4.567 ( -0.309 -0.591 2.446) 2.535 4.572 ( -1.677 -0.323 0.653) 1.829 4.672 ( -0.694 0.584 3.064) 3.196 4.715 ( -1.295 -0.127 1.861) 2.270 4.752 ( 0.401 -3.388 -6.629) 7.455 4.785 ( -4.933 3.284 -1.235) 6.054 4.812 ( -5.329 2.291 2.614) 6.363 4.831 ( -4.690 -5.556 -2.688) 7.752 4.857 ( -2.774 -3.266 0.114) 4.287 4.895 ( -5.619 -2.863 -1.890) 6.583 4.986 ( -0.715 1.385 -4.930) 5.171 5.007 ( 2.797 3.857 -1.682) 5.053 5.063 ( -1.647 0.377 -2.535) 3.047 5.129 ( -0.360 -0.515 2.440) 2.520 5.155 ( 4.916 -0.552 -6.075) 7.834 5.167 ( -4.038 -0.461 1.318) 4.273 5.267 ( 0.128 -4.049 -4.920) 6.373 5.321 ( -3.878 2.763 0.781) 4.825 5.365 ( -1.669 0.050 0.306) 1.697 5.375 ( -1.322 -3.733 2.623) 4.750 5.446 ( 2.204 -4.140 -0.181) 4.693 5.515 ( -1.102 -3.802 -2.641) 4.759 5.524 ( -0.071 0.728 -1.325) 1.513 5.556 ( 1.605 -4.448 -1.727) 5.035 5.592 ( 1.911 -2.209 -2.756) 4.016 5.625 ( 1.786 -1.194 -1.317) 2.520 5.796 ( 0.679 4.782 -0.447) 4.851 5.847 ( -0.355 1.995 -2.370) 3.118 5.886 ( 3.138 0.607 2.511) 4.065 5.918 ( 4.657 4.881 5.622) 8.782 5.972 ( -1.496 -0.474 -2.240) 2.735 5.983 ( 2.645 6.023 -1.678) 6.789 6.058 ( 5.512 -3.384 5.771) 8.668 6.110 ( -0.520 -0.222 2.500) 2.564 6.193 ( 1.267 1.519 -0.385) 2.015 6.256 ( 1.092 1.617 3.058) 3.627 6.259 ( 0.667 -3.673 0.329) 3.748 6.389 ( 3.839 -2.116 0.449) 4.407 6.398 ( 5.747 -0.357 -0.192) 5.762 6.435 ( 5.058 1.296 1.230) 5.364 6.493 ( -0.886 0.650 -2.441) 2.677 6.559 ( -0.554 -10.107 2.654) 10.464 6.621 ( 0.135 1.201 2.128) 2.447 6.663 ( 2.361 1.905 0.747) 3.124 6.743 ( 1.841 -0.781 1.821) 2.704 6.785 ( 3.121 0.198 -1.652) 3.537 6.832 ( -0.497 -0.693 2.289) 2.443 6.874 ( 2.955 3.301 1.040) 4.551 6.960 ( 1.740 -1.818 2.244) 3.372 6.981 ( 0.627 -4.424 0.820) 4.542 7.058 ( 1.128 -0.196 -0.655) 1.319 7.109 ( 2.680 0.057 -0.260) 2.693 7.146 ( 4.533 -1.570 -1.745) 5.104 7.172 ( 4.790 -1.517 1.014) 5.126 7.401 ( -5.127 -0.553 0.113) 5.158 7.461 ( -2.150 0.141 1.417) 2.579 7.511 ( 1.210 1.591 -0.991) 2.231 7.551 ( -3.223 5.553 0.282) 6.427 7.560 ( 2.479 0.892 -1.754) 3.165 7.670 ( 3.679 4.759 0.756) 6.062 7.752 ( -0.707 0.835 1.081) 1.538 7.824 ( 2.903 1.346 -0.440) 3.230 8.334 ( -1.795 1.214 2.346) 3.193 8.419 ( -3.916 -2.573 0.420) 4.704 8.491 ( 2.871 0.809 -0.678) 3.059 8.559 ( 1.198 -2.362 -2.533) 3.665 8.655 ( -0.534 1.101 -2.906) 3.153 8.699 ( 1.736 1.298 2.076) 3.002 8.859 ( -4.173 -6.270 2.321) 7.881 8.904 ( -2.690 -5.288 -3.153) 6.719 9.115 ( -5.049 2.230 -4.572) 7.167 9.151 ( -2.619 1.431 2.274) 3.752 9.199 ( -4.838 0.144 -0.806) 4.907 9.236 ( -1.950 -0.121 1.035) 2.211 9.831 ( 0.276 2.069 8.533) 8.784 9.907 ( -0.050 -0.305 4.480) 4.491 9.931 ( 1.462 2.510 -2.987) 4.166 10.009 ( 0.344 -0.847 -7.446) 7.502 10.257 ( 1.344 2.392 6.642) 7.187 10.374 ( 6.297 -1.789 -4.746) 8.086 10.435 ( 2.298 -0.202 -5.353) 5.829 10.498 ( 5.044 -2.973 -0.565) 5.882 11.043 ( -0.048 0.609 -1.641) 1.751 11.050 ( 0.793 -0.130 0.280) 0.851 11.109 ( -0.017 -0.079 -0.313) 0.323 11.148 ( 1.294 -0.920 -3.411) 3.763 11.599 ( -1.852 1.966 0.425) 2.734 11.619 ( -2.677 2.339 1.921) 4.041 11.734 ( -4.302 -1.557 -0.592) 4.613 11.798 ( -4.913 -2.502 -0.427) 5.530 12.009 ( -9.392 1.301 -4.049) 10.310 12.075 ( -13.486 -1.214 -8.525) 16.001 12.213 ( -5.817 0.998 2.870) 6.563 12.294 ( -4.176 -1.557 2.905) 5.320 12.484 ( -1.330 1.929 7.897) 8.237 12.526 ( 0.633 0.500 3.304) 3.401 12.544 ( -0.245 -0.591 1.258) 1.411 12.573 ( -0.765 -0.153 2.271) 2.402 12.629 ( 1.013 2.254 3.824) 4.553 12.727 ( 7.256 0.709 -3.519) 8.095 12.772 ( 6.610 -0.981 2.230) 7.045 12.836 ( 6.850 -1.485 -5.103) 8.670 14.321 ( 0.228 4.436 1.517) 4.694 14.420 ( 3.693 3.045 -1.094) 4.909 14.464 ( 0.038 -0.193 1.928) 1.938 14.585 ( 4.555 -1.967 -2.518) 5.564 17.135 ( -2.870 -0.582 2.067) 3.585 17.181 ( -1.511 -2.313 -2.888) 3.997 17.276 ( -4.807 -0.156 -6.410) 8.014 17.293 ( -1.301 -0.522 4.653) 4.860 18.209 ( 0.141 3.939 0.729) 4.008 18.254 ( 0.323 2.408 -1.209) 2.713 18.314 ( 1.176 -0.033 3.308) 3.511 18.335 ( -0.044 -0.877 -1.860) 2.056 18.828 ( -0.689 1.276 2.316) 2.733 18.893 ( -0.672 -0.774 1.428) 1.758 18.898 ( 1.844 0.391 -1.260) 2.267 18.953 ( 0.849 -0.899 -3.498) 3.710 19.007 ( 0.168 4.554 1.035) 4.673 19.052 ( 1.639 5.900 -1.584) 6.325 19.185 ( -1.381 -1.229 1.968) 2.701 19.189 ( -1.680 -1.330 1.225) 2.468 19.220 ( -1.148 -0.831 0.073) 1.419 19.231 ( -1.007 -0.393 -1.669) 1.989 19.418 ( -5.261 0.249 2.471) 5.818 19.529 ( -7.097 3.044 -0.924) 7.778 19.533 ( -4.568 -2.486 -0.760) 5.256 19.697 ( -6.167 -4.384 -4.737) 8.927 19.846 ( -0.252 -1.455 0.889) 1.724 19.891 ( 3.928 -2.247 -3.454) 5.693 20.334 ( 5.597 0.093 -0.547) 5.624 20.357 ( 2.793 -0.807 2.607) 3.905 20.621 ( 11.138 1.184 10.070) 15.062 20.726 ( 9.123 -2.631 -3.987) 10.298 ======================= Grid point 76 (42/48) ======================= q-point: (-0.17 0.25 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -5.875 0.824 6.878) 9.083 0.983 ( -0.150 12.321 10.614) 16.263 1.046 ( -5.877 1.541 4.739) 7.705 1.226 ( -9.297 7.656 11.808) 16.866 1.345 ( 1.262 3.256 0.785) 3.579 1.383 ( -6.122 14.081 -4.551) 16.015 1.502 ( -1.346 0.373 -5.032) 5.222 1.642 ( -4.165 -4.656 2.501) 6.729 1.792 ( -1.750 -1.142 1.353) 2.489 1.844 ( -9.526 1.142 1.815) 9.764 1.856 ( 3.454 -5.489 2.797) 7.063 1.951 ( -4.085 -0.256 11.885) 12.570 2.025 ( -3.091 -0.644 9.415) 9.930 2.042 ( -2.163 0.646 6.919) 7.278 2.077 ( -3.434 1.938 -0.849) 4.033 2.124 ( -4.846 -5.956 3.843) 8.587 2.204 ( -0.669 2.835 3.658) 4.676 2.306 ( -2.845 -2.010 0.761) 3.565 2.354 ( 4.112 0.132 -2.694) 4.918 2.385 ( -1.449 3.656 1.812) 4.329 2.452 ( -8.473 -1.784 4.927) 9.963 2.547 ( 2.476 -2.359 4.337) 5.523 2.573 ( -2.499 -0.913 1.215) 2.925 2.580 ( -4.402 0.868 3.502) 5.691 2.662 ( -1.701 -0.961 -3.267) 3.807 2.670 ( 1.739 -0.648 -2.181) 2.864 2.770 ( 0.197 -4.151 2.545) 4.873 2.808 ( -0.399 -3.904 1.650) 4.257 2.854 ( 0.688 -1.399 1.575) 2.216 2.884 ( -2.200 0.972 -6.222) 6.670 2.911 ( 6.340 0.698 -2.664) 6.912 2.969 ( -2.945 2.211 -2.063) 4.221 2.986 ( 4.967 0.553 2.492) 5.585 3.013 ( -1.363 5.774 -1.373) 6.089 3.094 ( -2.317 0.017 -9.913) 10.181 3.128 ( 3.968 2.934 -4.279) 6.532 3.186 ( -4.414 -0.853 -2.993) 5.401 3.247 ( -1.164 -2.847 3.787) 4.879 3.269 ( -0.808 1.380 -3.473) 3.823 3.303 ( 1.287 -1.541 -0.433) 2.054 3.385 ( -2.201 0.549 -2.282) 3.217 3.397 ( -0.419 -0.994 -2.216) 2.465 3.417 ( 0.816 0.697 -2.254) 2.497 3.492 ( 1.390 -0.652 1.454) 2.115 3.535 ( 1.982 -1.497 -0.776) 2.602 3.546 ( 2.005 0.371 -1.893) 2.783 3.575 ( -1.504 -3.711 0.948) 4.115 3.603 ( -1.496 4.874 3.339) 6.095 3.614 ( 3.513 -0.060 -2.903) 4.557 3.644 ( 6.288 0.837 -3.635) 7.312 3.725 ( 2.745 5.551 -6.295) 8.830 3.786 ( 0.016 0.419 -6.075) 6.090 3.817 ( 3.538 -2.915 0.890) 4.670 3.824 ( -5.979 0.773 1.222) 6.152 3.881 ( 1.406 1.733 -6.066) 6.464 3.895 ( -0.849 -0.975 -5.205) 5.363 3.947 ( 4.627 1.417 -1.697) 5.128 4.007 ( 1.913 4.021 3.610) 5.733 4.067 ( 2.502 4.687 1.987) 5.672 4.075 ( -1.693 -2.198 -3.648) 4.583 4.091 ( -1.783 0.033 2.084) 2.743 4.143 ( -0.243 -3.200 -0.800) 3.308 4.198 ( -3.457 2.118 3.059) 5.079 4.226 ( -4.064 -4.012 5.775) 8.121 4.291 ( 5.269 1.975 -0.361) 5.639 4.352 ( -3.760 -1.120 -0.094) 3.924 4.409 ( 4.657 1.486 1.765) 5.197 4.436 ( 1.210 -0.062 -2.111) 2.434 4.479 ( 2.016 6.104 8.169) 10.395 4.524 ( -3.497 0.880 -2.879) 4.614 4.549 ( 0.987 -0.527 2.592) 2.823 4.584 ( -2.913 2.519 0.213) 3.857 4.606 ( -5.826 0.510 1.860) 6.138 4.641 ( -1.741 -2.012 -4.245) 5.010 4.658 ( -2.299 0.515 2.778) 3.642 4.722 ( -1.538 -3.221 -3.970) 5.339 4.760 ( 0.640 -4.472 -6.827) 8.186 4.809 ( 0.101 -0.463 1.941) 1.998 4.838 ( 0.445 -3.070 3.935) 5.011 4.899 ( -4.374 -0.917 2.210) 4.986 4.908 ( 3.991 0.305 -3.278) 5.174 5.032 ( 2.438 4.141 -3.370) 5.870 5.040 ( -3.570 -1.327 -2.870) 4.769 5.070 ( -0.105 -0.269 -4.087) 4.097 5.129 ( 0.613 3.464 -1.868) 3.983 5.176 ( -4.513 -1.274 -1.498) 4.923 5.278 ( 1.781 -6.598 5.527) 8.789 5.294 ( 1.109 1.483 -2.085) 2.788 5.336 ( -1.569 -4.003 -2.767) 5.113 5.372 ( -1.022 2.556 4.391) 5.182 5.449 ( -3.612 -4.860 1.053) 6.146 5.472 ( 0.354 -1.982 1.551) 2.541 5.493 ( -1.403 -0.039 -3.005) 3.317 5.591 ( 3.259 -2.203 -4.265) 5.802 5.601 ( -0.172 -5.357 -0.172) 5.362 5.664 ( 4.225 -3.554 -0.770) 5.574 5.777 ( -2.540 4.063 2.088) 5.226 5.834 ( 2.264 1.128 -4.482) 5.146 5.915 ( -3.485 1.707 -2.697) 4.726 5.982 ( 6.016 1.282 -3.553) 7.103 6.016 ( 2.696 -0.501 2.107) 3.458 6.066 ( -0.153 2.100 3.439) 4.033 6.111 ( -0.493 -0.392 4.838) 4.879 6.152 ( 4.003 4.488 1.509) 6.201 6.235 ( 0.208 0.895 2.402) 2.571 6.265 ( 0.945 -0.639 1.571) 1.942 6.354 ( 6.488 -0.986 -2.265) 6.942 6.385 ( -2.582 -6.749 -0.103) 7.227 6.432 ( -0.521 -4.168 2.215) 4.749 6.481 ( 0.520 0.924 -2.027) 2.288 6.529 ( -0.326 -4.348 2.171) 4.871 6.611 ( 7.152 1.265 1.438) 7.405 6.670 ( 4.259 3.354 3.065) 6.227 6.716 ( 2.863 1.648 0.823) 3.404 6.775 ( 2.843 1.759 0.153) 3.347 6.820 ( 1.266 -1.412 -0.014) 1.896 6.866 ( 2.929 -0.425 3.719) 4.753 6.969 ( 1.866 -1.025 0.655) 2.227 7.001 ( 3.679 -2.619 4.285) 6.226 7.027 ( 2.518 -4.038 1.733) 5.064 7.048 ( 0.272 -0.426 -1.212) 1.313 7.125 ( -1.997 0.123 1.881) 2.747 7.171 ( -1.251 -0.353 -0.985) 1.631 7.277 ( 2.088 -0.094 0.316) 2.114 7.360 ( 3.346 1.901 0.075) 3.849 7.440 ( -1.033 -0.151 1.419) 1.762 7.468 ( -3.791 4.991 -1.162) 6.375 7.547 ( 1.497 1.963 -0.362) 2.495 7.586 ( 0.746 1.966 -1.183) 2.413 7.719 ( -0.643 4.953 -1.224) 5.142 7.760 ( 1.279 3.519 1.173) 3.923 7.868 ( 3.243 -3.819 -5.677) 7.571 8.336 ( 0.566 0.460 2.513) 2.617 8.359 ( -0.825 -1.230 2.047) 2.527 8.516 ( -0.126 0.604 -4.110) 4.156 8.553 ( 0.210 -0.759 -3.721) 3.804 8.654 ( 1.782 -0.345 -1.516) 2.365 8.718 ( -0.099 0.271 0.209) 0.356 8.794 ( -3.538 -5.280 1.167) 6.462 8.845 ( -2.100 -4.230 -1.771) 5.044 9.007 ( -3.343 1.526 -3.347) 4.971 9.082 ( -4.956 0.929 0.500) 5.067 9.130 ( -2.126 -0.433 -1.099) 2.432 9.194 ( -3.062 -0.509 -0.518) 3.147 9.861 ( 0.412 0.458 1.262) 1.404 9.919 ( -1.944 -0.957 4.773) 5.242 9.963 ( 1.934 2.416 -0.957) 3.239 9.996 ( 1.567 1.319 -1.389) 2.475 10.306 ( -1.210 4.205 7.198) 8.424 10.447 ( 4.579 -0.258 -4.585) 6.485 10.488 ( 5.735 -0.368 -7.397) 9.367 10.577 ( 1.904 -6.004 1.291) 6.430 11.039 ( 1.069 0.341 -1.088) 1.563 11.067 ( 0.589 -0.864 -0.238) 1.072 11.115 ( 1.322 0.425 -0.193) 1.402 11.149 ( 0.949 -0.346 -3.194) 3.350 11.463 ( -8.122 2.210 -2.397) 8.752 11.560 ( -7.207 -1.670 -0.683) 7.430 11.615 ( -0.531 2.695 1.143) 2.975 11.725 ( -1.781 -1.310 0.812) 2.355 11.910 ( -3.519 1.622 -0.341) 3.890 11.962 ( -2.301 -0.576 2.460) 3.417 12.033 ( -10.068 1.727 -1.373) 10.306 12.163 ( -8.504 -2.589 -1.863) 9.082 12.505 ( -0.714 0.471 5.692) 5.756 12.543 ( -0.433 -0.218 1.819) 1.883 12.550 ( 0.207 -0.357 1.518) 1.573 12.579 ( -0.581 -0.451 3.164) 3.248 12.680 ( 2.367 3.812 4.378) 6.269 12.832 ( 4.519 0.588 -1.678) 4.856 12.874 ( 3.322 -1.491 2.063) 4.185 12.941 ( 5.907 -1.741 -2.741) 6.741 14.359 ( 3.168 5.353 1.110) 6.319 14.482 ( 2.861 2.182 0.823) 3.692 14.494 ( 1.536 1.338 1.402) 2.473 14.638 ( 2.609 -1.728 -3.188) 4.467 17.077 ( -2.741 0.038 -0.506) 2.788 17.129 ( -2.642 -0.264 -1.346) 2.977 17.193 ( -1.404 1.049 -1.481) 2.294 17.267 ( -4.240 -1.228 3.551) 5.666 18.204 ( 0.055 3.525 -1.389) 3.789 18.253 ( -0.926 3.663 -0.616) 3.828 18.335 ( 0.940 -1.918 1.912) 2.867 18.362 ( 1.777 -0.887 1.205) 2.323 18.837 ( 0.155 0.931 2.868) 3.019 18.882 ( -1.633 -1.072 2.662) 3.302 18.928 ( 2.368 0.739 -2.837) 3.769 18.952 ( 0.769 0.068 -2.879) 2.980 19.029 ( 1.993 3.660 0.628) 4.214 19.083 ( 1.922 2.822 0.780) 3.502 19.153 ( -3.278 -1.633 0.270) 3.673 19.173 ( -1.287 -0.453 0.571) 1.479 19.185 ( -0.171 0.344 1.399) 1.451 19.227 ( -0.580 -0.957 2.328) 2.583 19.351 ( -3.074 0.983 -0.202) 3.234 19.407 ( -4.091 2.171 -2.200) 5.128 19.428 ( -6.100 -1.033 -1.108) 6.285 19.534 ( -8.302 -3.311 -5.063) 10.272 19.835 ( -2.424 0.159 3.052) 3.901 19.909 ( 2.290 -2.484 -6.856) 7.643 20.430 ( 3.182 1.607 5.013) 6.151 20.477 ( 8.320 -0.254 0.374) 8.333 20.855 ( 7.759 -3.091 -2.721) 8.784 20.885 ( 10.299 -4.797 1.752) 11.496 ======================= Grid point 77 (43/48) ======================= q-point: ( 0.00 -0.50 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 0.623 -1.491 3.548) 3.899 1.004 ( 0.623 1.491 3.548) 3.899 1.272 ( 0.726 -7.326 9.211) 11.791 1.272 ( 0.726 7.326 9.211) 11.791 1.425 ( -1.869 -3.068 3.857) 5.271 1.425 ( -1.869 3.068 3.857) 5.271 1.598 ( -0.227 -9.802 -6.416) 11.718 1.598 ( -0.227 9.802 -6.416) 11.718 1.701 ( 3.789 -13.013 8.760) 16.138 1.701 ( 3.789 13.013 8.760) 16.138 1.837 ( -4.179 -8.710 -2.907) 10.088 1.837 ( -4.179 8.710 -2.907) 10.088 1.998 ( -1.017 -1.262 -1.217) 2.027 1.998 ( -1.017 1.262 -1.217) 2.027 2.145 ( 1.555 -4.729 9.564) 10.782 2.145 ( 1.555 4.729 9.564) 10.782 2.202 ( -1.144 -5.657 0.506) 5.793 2.202 ( -1.144 5.657 0.506) 5.793 2.402 ( 3.312 -4.553 5.394) 7.797 2.402 ( 3.312 4.553 5.394) 7.797 2.514 ( -0.735 -1.463 0.261) 1.658 2.514 ( -0.735 1.463 0.261) 1.658 2.571 ( -0.879 -3.971 -1.313) 4.274 2.571 ( -0.879 3.971 -1.313) 4.274 2.688 ( 1.164 -5.251 -0.862) 5.447 2.688 ( 1.164 5.251 -0.862) 5.447 2.745 ( 1.396 -6.104 3.732) 7.289 2.745 ( 1.396 6.104 3.732) 7.289 2.835 ( -1.569 -3.919 1.585) 4.509 2.835 ( -1.569 3.919 1.585) 4.509 2.924 ( -4.582 -1.214 -1.069) 4.859 2.924 ( -4.582 1.214 -1.069) 4.859 3.021 ( 0.513 -2.218 1.188) 2.568 3.021 ( 0.513 2.218 1.188) 2.568 3.142 ( -0.006 -7.378 -6.184) 9.627 3.142 ( -0.006 7.378 -6.184) 9.627 3.165 ( -0.212 -2.824 -3.355) 4.391 3.165 ( -0.212 2.824 -3.355) 4.391 3.258 ( 1.065 -1.910 -1.739) 2.794 3.258 ( 1.065 1.910 -1.739) 2.794 3.346 ( -5.060 -2.688 -1.091) 5.832 3.346 ( -5.060 2.688 -1.092) 5.832 3.409 ( -0.911 -3.029 0.228) 3.172 3.409 ( -0.911 3.029 0.228) 3.172 3.463 ( 1.878 -4.220 -4.532) 6.471 3.463 ( 1.878 4.220 -4.532) 6.471 3.603 ( -2.056 -3.758 2.680) 5.053 3.603 ( -2.056 3.758 2.680) 5.053 3.727 ( 0.887 -2.911 6.820) 7.468 3.727 ( 0.887 2.911 6.820) 7.468 3.795 ( -0.909 -1.167 2.431) 2.845 3.795 ( -0.909 1.167 2.431) 2.845 3.843 ( 1.282 -2.185 -1.888) 3.159 3.843 ( 1.282 2.185 -1.888) 3.159 3.954 ( 3.596 -4.680 -3.505) 6.864 3.954 ( 3.596 4.680 -3.505) 6.864 3.980 ( -3.845 -3.440 -2.424) 5.700 3.980 ( -3.845 3.440 -2.424) 5.700 4.059 ( 3.611 -2.715 1.090) 4.647 4.059 ( 3.611 2.715 1.090) 4.647 4.121 ( -4.737 -5.124 -3.695) 7.896 4.121 ( -4.737 5.124 -3.695) 7.896 4.208 ( 3.139 -3.836 1.963) 5.332 4.208 ( 3.139 3.836 1.963) 5.332 4.281 ( 4.202 -6.734 -6.767) 10.431 4.281 ( 4.202 6.734 -6.767) 10.431 4.438 ( -2.611 -2.068 -0.586) 3.382 4.438 ( -2.611 2.068 -0.586) 3.382 4.509 ( 1.098 -3.008 1.050) 3.370 4.509 ( 1.098 3.008 1.050) 3.370 4.571 ( -2.308 -3.524 -1.260) 4.397 4.571 ( -2.308 3.524 -1.260) 4.397 4.589 ( -3.387 -2.222 -0.666) 4.106 4.589 ( -3.387 2.222 -0.666) 4.106 4.666 ( 2.492 -3.917 -3.224) 5.652 4.666 ( 2.492 3.917 -3.224) 5.652 4.776 ( 1.771 -0.181 4.820) 5.138 4.776 ( 1.771 0.181 4.820) 5.138 4.846 ( 2.063 -1.191 1.945) 3.076 4.846 ( 2.063 1.191 1.945) 3.076 4.935 ( -0.869 -2.720 -3.059) 4.185 4.935 ( -0.869 2.720 -3.059) 4.185 5.059 ( -0.577 -2.397 -5.679) 6.191 5.059 ( -0.577 2.397 -5.679) 6.191 5.206 ( 4.482 -3.029 3.105) 6.237 5.206 ( 4.482 3.029 3.105) 6.237 5.269 ( -2.308 -4.274 -2.021) 5.260 5.269 ( -2.308 4.274 -2.021) 5.260 5.340 ( -0.422 -3.151 7.758) 8.384 5.340 ( -0.422 3.151 7.758) 8.384 5.438 ( 0.673 -4.129 0.207) 4.189 5.438 ( 0.673 4.129 0.207) 4.189 5.493 ( 0.869 -5.100 -1.412) 5.363 5.493 ( 0.869 5.100 -1.412) 5.363 5.608 ( 0.810 -2.985 -4.094) 5.131 5.608 ( 0.810 2.985 -4.094) 5.131 5.851 ( 0.029 -4.802 1.304) 4.976 5.851 ( 0.029 4.802 1.304) 4.976 5.906 ( -1.156 -3.099 -2.010) 3.870 5.906 ( -1.156 3.099 -2.010) 3.870 6.030 ( -2.407 -1.504 -0.574) 2.895 6.030 ( -2.407 1.504 -0.574) 2.895 6.154 ( 0.154 -0.457 2.892) 2.932 6.154 ( 0.154 0.457 2.892) 2.932 6.219 ( -1.141 -1.391 2.609) 3.169 6.219 ( -1.141 1.391 2.609) 3.169 6.389 ( 0.141 -0.680 -0.800) 1.060 6.389 ( 0.141 0.680 -0.800) 1.060 6.508 ( 2.050 -1.929 0.325) 2.834 6.508 ( 2.050 1.929 0.325) 2.834 6.625 ( -0.268 -3.206 0.364) 3.238 6.625 ( -0.268 3.206 0.364) 3.238 6.766 ( 0.718 -0.818 4.065) 4.208 6.766 ( 0.718 0.818 4.065) 4.208 6.836 ( -1.507 -2.616 -0.507) 3.061 6.836 ( -1.507 2.616 -0.507) 3.061 6.894 ( 1.943 -1.583 -0.005) 2.506 6.894 ( 1.943 1.583 -0.005) 2.506 6.994 ( -1.319 -1.301 0.789) 2.013 6.994 ( -1.319 1.301 0.789) 2.013 7.114 ( 1.842 -0.468 0.469) 1.958 7.114 ( 1.842 0.468 0.469) 1.958 7.232 ( -0.591 -2.170 -0.514) 2.307 7.232 ( -0.591 2.170 -0.514) 2.307 7.459 ( 2.325 -1.805 2.861) 4.105 7.459 ( 2.325 1.805 2.861) 4.105 7.537 ( -4.001 -3.218 -1.908) 5.478 7.537 ( -4.001 3.218 -1.908) 5.478 7.669 ( -1.018 -3.168 -2.558) 4.197 7.669 ( -1.018 3.168 -2.558) 4.197 7.780 ( 0.202 -0.551 1.363) 1.484 7.780 ( 0.202 0.551 1.363) 1.484 8.390 ( 1.226 -0.759 4.335) 4.568 8.390 ( 1.226 0.759 4.335) 4.568 8.480 ( -2.403 -1.504 -4.365) 5.205 8.480 ( -2.403 1.504 -4.365) 5.205 8.693 ( 1.664 -1.997 0.811) 2.723 8.693 ( 1.664 1.997 0.811) 2.723 8.733 ( -1.027 -2.963 -2.631) 4.093 8.733 ( -1.027 2.963 -2.631) 4.093 9.045 ( 0.879 -1.626 -0.917) 2.063 9.045 ( 0.879 1.626 -0.917) 2.063 9.093 ( -0.829 -0.444 -1.646) 1.896 9.093 ( -0.829 0.444 -1.646) 1.896 9.866 ( -5.772 -1.082 6.535) 8.786 9.866 ( -5.772 1.082 6.535) 8.786 10.045 ( 6.221 -0.894 -4.053) 7.479 10.045 ( 6.221 0.894 -4.053) 7.479 10.391 ( -5.355 -5.862 3.616) 8.724 10.391 ( -5.355 5.862 3.616) 8.724 10.509 ( 5.141 -2.297 -7.662) 9.509 10.509 ( 5.141 2.297 -7.662) 9.509 11.057 ( 0.513 -0.086 -1.000) 1.127 11.057 ( 0.513 0.086 -1.000) 1.127 11.161 ( 1.422 -0.377 -1.800) 2.324 11.161 ( 1.422 0.377 -1.800) 2.324 11.545 ( 7.978 -0.930 3.542) 8.778 11.545 ( 7.978 0.930 3.542) 8.778 11.599 ( -7.781 -0.969 -1.785) 8.041 11.599 ( -7.781 0.969 -1.785) 8.041 11.876 ( -1.128 -0.386 0.202) 1.209 11.876 ( -1.128 0.386 0.202) 1.209 12.025 ( 0.121 -1.467 -0.201) 1.485 12.025 ( 0.121 1.467 -0.201) 1.485 12.529 ( -0.793 -0.890 3.458) 3.658 12.529 ( -0.793 0.890 3.458) 3.658 12.561 ( -1.033 -0.754 2.371) 2.694 12.561 ( -1.033 0.754 2.371) 2.694 12.837 ( 1.393 -4.018 2.892) 5.142 12.837 ( 1.393 4.018 2.892) 5.142 12.923 ( 0.511 -3.414 -3.934) 5.234 12.923 ( 0.511 3.414 -3.934) 5.234 14.508 ( 0.561 -2.903 3.348) 4.467 14.508 ( 0.561 2.903 3.348) 4.467 14.577 ( -0.344 -3.907 -3.526) 5.274 14.577 ( -0.344 3.907 -3.526) 5.274 17.096 ( -0.537 -0.667 0.705) 1.110 17.096 ( -0.537 0.667 0.705) 1.110 17.196 ( 1.094 -1.365 -0.950) 1.991 17.196 ( 1.094 1.365 -0.950) 1.991 18.261 ( -1.161 -1.479 0.430) 1.929 18.261 ( -1.161 1.479 0.430) 1.929 18.351 ( 1.079 -1.081 0.387) 1.576 18.351 ( 1.079 1.081 0.387) 1.576 18.868 ( -0.203 -0.102 2.894) 2.903 18.868 ( -0.203 0.102 2.894) 2.903 18.951 ( 1.021 -0.255 -3.393) 3.552 18.951 ( 1.021 0.255 -3.393) 3.552 19.101 ( -0.473 -1.320 1.001) 1.723 19.101 ( -0.473 1.320 1.001) 1.723 19.144 ( 0.529 -1.849 0.589) 2.011 19.144 ( 0.529 1.849 0.589) 2.011 19.232 ( 1.551 -0.934 2.950) 3.461 19.232 ( 1.551 0.934 2.950) 3.461 19.335 ( -1.092 -2.193 -2.446) 3.461 19.335 ( -1.092 2.193 -2.446) 3.461 19.372 ( -1.507 -0.620 -1.913) 2.513 19.372 ( -1.507 0.620 -1.913) 2.513 19.848 ( 0.197 -3.017 -1.655) 3.446 19.848 ( 0.197 3.017 -1.655) 3.446 20.548 ( 0.313 -2.140 2.795) 3.534 20.548 ( 0.313 2.140 2.795) 3.534 20.865 ( -0.748 -0.288 -2.180) 2.322 20.865 ( -0.748 0.288 -2.180) 2.322 ======================= Grid point 79 (44/48) ======================= q-point: ( 0.17 -0.50 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 2.667 -1.215 0.606) 2.993 1.045 ( 2.667 1.215 0.606) 2.993 1.330 ( -0.704 -4.675 0.437) 4.748 1.330 ( -0.704 4.675 0.437) 4.748 1.434 ( 3.310 -3.598 3.147) 5.815 1.434 ( 3.310 3.598 3.147) 5.815 1.635 ( 4.215 -1.953 1.883) 5.013 1.635 ( 4.215 1.953 1.883) 5.013 1.757 ( 1.833 -4.231 -4.036) 6.127 1.757 ( 1.833 4.231 -4.036) 6.127 1.874 ( 6.681 -5.281 2.805) 8.966 1.874 ( 6.681 5.281 2.805) 8.966 1.969 ( -1.121 -3.478 2.905) 4.668 1.969 ( -1.121 3.478 2.905) 4.668 2.169 ( -0.144 -4.383 1.710) 4.707 2.169 ( -0.144 4.383 1.710) 4.707 2.275 ( 6.814 -6.025 -0.284) 9.100 2.275 ( 6.814 6.025 -0.284) 9.100 2.468 ( -0.974 -1.260 -0.402) 1.643 2.468 ( -0.974 1.260 -0.402) 1.643 2.496 ( -1.049 -3.639 8.526) 9.329 2.496 ( -1.049 3.639 8.526) 9.329 2.567 ( -0.005 -0.945 -4.239) 4.343 2.567 ( -0.005 0.945 -4.239) 4.343 2.647 ( -0.425 -6.098 -2.017) 6.437 2.647 ( -0.425 6.098 -2.017) 6.437 2.750 ( -1.917 -1.124 1.627) 2.754 2.750 ( -1.917 1.124 1.627) 2.754 2.820 ( -1.244 -2.632 -1.428) 3.243 2.820 ( -1.244 2.632 -1.428) 3.243 2.964 ( 0.445 -3.404 6.083) 6.985 2.964 ( 0.445 3.404 6.083) 6.985 3.042 ( 2.479 -2.792 -1.316) 3.959 3.042 ( 2.479 2.792 -1.316) 3.959 3.096 ( -2.934 -0.558 -0.934) 3.129 3.096 ( -2.934 0.558 -0.934) 3.129 3.166 ( 2.514 -3.733 -1.606) 4.779 3.166 ( 2.514 3.733 -1.606) 4.779 3.247 ( 3.038 -6.610 3.106) 7.911 3.247 ( 3.038 6.610 3.106) 7.911 3.316 ( -0.811 -2.309 3.353) 4.151 3.316 ( -0.811 2.309 3.353) 4.151 3.409 ( 0.865 -4.707 -0.258) 4.792 3.409 ( 0.865 4.707 -0.258) 4.792 3.455 ( -0.909 -2.172 1.188) 2.637 3.455 ( -0.909 2.172 1.188) 2.637 3.622 ( 2.403 -3.921 1.314) 4.782 3.622 ( 2.403 3.921 1.314) 4.782 3.671 ( -6.869 -1.394 -2.937) 7.600 3.671 ( -6.869 1.394 -2.937) 7.600 3.765 ( -2.837 -3.335 5.351) 6.914 3.765 ( -2.837 3.335 5.351) 6.914 3.848 ( -4.404 -0.359 0.285) 4.428 3.848 ( -4.404 0.359 0.285) 4.428 3.898 ( 1.641 -6.857 -3.090) 7.698 3.898 ( 1.641 6.857 -3.090) 7.698 4.005 ( 0.809 -4.936 0.417) 5.020 4.005 ( 0.809 4.936 0.417) 5.020 4.065 ( 1.831 -4.235 0.312) 4.625 4.065 ( 1.831 4.235 0.312) 4.625 4.170 ( 3.508 -2.637 -3.449) 5.582 4.170 ( 3.508 2.637 -3.449) 5.582 4.228 ( -1.277 -3.589 -5.606) 6.778 4.228 ( -1.277 3.589 -5.606) 6.778 4.345 ( 1.658 -3.138 -3.001) 4.648 4.345 ( 1.658 3.138 -3.001) 4.648 4.372 ( 0.485 -0.906 0.234) 1.054 4.372 ( 0.485 0.906 0.234) 1.054 4.487 ( -0.074 -3.928 0.523) 3.964 4.487 ( -0.074 3.928 0.523) 3.964 4.541 ( -2.226 -2.397 2.123) 3.900 4.541 ( -2.226 2.397 2.123) 3.900 4.606 ( 3.622 -1.015 1.024) 3.899 4.606 ( 3.622 1.015 1.024) 3.899 4.682 ( -1.536 -2.492 1.689) 3.380 4.682 ( -1.536 2.492 1.689) 3.380 4.756 ( -0.942 -3.676 -1.189) 3.977 4.756 ( -0.942 3.676 -1.189) 3.977 4.901 ( 3.688 -3.703 -3.100) 6.076 4.901 ( 3.688 3.703 -3.100) 6.076 4.965 ( 4.643 -1.783 -2.709) 5.664 4.965 ( 4.643 1.783 -2.709) 5.664 5.078 ( 3.438 -1.807 -1.164) 4.054 5.078 ( 3.438 1.807 -1.164) 4.054 5.179 ( -3.229 -5.085 -3.336) 6.886 5.179 ( -3.229 5.085 -3.336) 6.886 5.301 ( 3.227 -1.525 0.018) 3.569 5.301 ( 3.227 1.525 0.018) 3.569 5.385 ( -0.440 -2.273 7.981) 8.310 5.385 ( -0.440 2.273 7.981) 8.310 5.432 ( 0.998 -8.506 -3.208) 9.145 5.432 ( 0.998 8.506 -3.208) 9.145 5.479 ( -1.508 -3.288 -3.021) 4.713 5.479 ( -1.508 3.288 -3.021) 4.713 5.588 ( -0.241 -1.634 -4.251) 4.560 5.588 ( -0.241 1.634 -4.251) 4.560 5.804 ( -1.697 -1.868 0.817) 2.653 5.804 ( -1.697 1.868 0.817) 2.653 5.975 ( 2.673 -3.396 2.859) 5.182 5.975 ( 2.673 3.396 2.859) 5.182 6.002 ( 0.194 -6.493 1.793) 6.739 6.002 ( 0.194 6.493 1.793) 6.739 6.153 ( -0.894 -0.199 1.377) 1.654 6.153 ( -0.894 0.199 1.377) 1.654 6.227 ( -0.854 -1.790 2.190) 2.954 6.227 ( -0.854 1.790 2.190) 2.954 6.363 ( -4.172 -2.180 -1.385) 4.906 6.363 ( -4.172 2.180 -1.385) 4.906 6.439 ( -3.867 -4.530 -1.154) 6.067 6.439 ( -3.867 4.530 -1.154) 6.067 6.629 ( -2.721 -3.176 -0.024) 4.182 6.629 ( -2.721 3.176 -0.024) 4.182 6.744 ( -4.249 -0.450 2.127) 4.773 6.744 ( -4.249 0.450 2.127) 4.773 6.799 ( -2.015 -4.669 -0.567) 5.116 6.799 ( -2.015 4.669 -0.567) 5.116 6.867 ( -2.322 -1.456 -0.985) 2.912 6.867 ( -2.322 1.456 -0.985) 2.912 7.005 ( -1.366 -1.815 0.710) 2.380 7.005 ( -1.366 1.815 0.710) 2.380 7.087 ( -2.444 -3.295 -1.248) 4.288 7.087 ( -2.444 3.295 -1.248) 4.288 7.220 ( -1.965 -3.212 0.931) 3.879 7.220 ( -1.965 3.212 0.931) 3.879 7.446 ( -1.764 -2.601 -2.181) 3.826 7.446 ( -1.764 2.601 -2.181) 3.826 7.532 ( 0.850 -4.478 4.451) 6.371 7.532 ( 0.850 4.478 4.451) 6.371 7.660 ( 0.384 -4.375 0.122) 4.394 7.660 ( 0.384 4.375 0.122) 4.394 7.789 ( 0.199 -2.612 0.841) 2.752 7.789 ( 0.199 2.612 0.841) 2.752 8.380 ( -2.551 -0.652 0.123) 2.636 8.380 ( -2.551 0.652 0.123) 2.636 8.464 ( 0.981 -1.197 1.691) 2.292 8.464 ( 0.981 1.197 1.691) 2.292 8.713 ( 0.652 -5.253 -2.562) 5.881 8.713 ( 0.652 5.253 -2.562) 5.881 8.731 ( 1.906 -0.472 1.205) 2.304 8.731 ( 1.906 0.472 1.205) 2.304 9.020 ( -0.131 -3.501 0.170) 3.508 9.020 ( -0.131 3.501 0.170) 3.508 9.171 ( 7.035 -1.400 -0.894) 7.228 9.171 ( 7.035 1.400 -0.894) 7.228 9.803 ( -3.700 -2.345 6.520) 7.855 9.803 ( -3.700 2.345 6.520) 7.855 10.103 ( 1.335 -2.681 -6.177) 6.865 10.103 ( 1.335 2.681 -6.177) 6.865 10.344 ( -2.752 -1.717 4.321) 5.403 10.344 ( -2.752 1.717 4.321) 5.403 10.552 ( 3.210 -3.753 -6.985) 8.555 10.552 ( 3.210 3.753 -6.985) 8.555 11.054 ( 0.027 -0.900 -1.326) 1.602 11.054 ( 0.027 0.900 -1.326) 1.602 11.150 ( -0.885 -0.032 -2.887) 3.019 11.150 ( -0.885 0.032 -2.887) 3.019 11.507 ( 1.563 -2.821 -0.352) 3.244 11.507 ( 1.563 2.821 -0.352) 3.244 11.674 ( 2.440 -2.448 1.697) 3.851 11.674 ( 2.440 2.448 1.697) 3.851 11.944 ( 5.824 -1.686 0.815) 6.117 11.944 ( 5.824 1.686 0.815) 6.117 12.061 ( 5.504 -1.548 1.092) 5.821 12.061 ( 5.504 1.548 1.092) 5.821 12.529 ( -1.064 -0.868 2.245) 2.632 12.529 ( -1.064 0.868 2.245) 2.632 12.557 ( -0.884 -0.282 2.978) 3.120 12.557 ( -0.884 0.282 2.978) 3.120 12.831 ( -3.708 -2.113 0.608) 4.311 12.831 ( -3.708 2.113 0.608) 4.311 12.893 ( -0.998 -3.763 -4.419) 5.890 12.893 ( -0.998 3.763 -4.419) 5.890 14.471 ( -4.155 -4.246 0.843) 6.000 14.471 ( -4.155 4.246 0.843) 6.000 14.567 ( -0.498 -2.718 -1.472) 3.131 14.567 ( -0.498 2.718 -1.472) 3.131 17.080 ( -0.617 -1.391 1.058) 1.854 17.080 ( -0.617 1.391 1.058) 1.854 17.259 ( 5.266 -3.455 -2.039) 6.619 17.259 ( 5.266 3.455 -2.039) 6.619 18.243 ( -1.415 -2.032 1.951) 3.152 18.243 ( -1.415 2.032 1.951) 3.152 18.366 ( 0.851 -0.523 -1.526) 1.824 18.366 ( 0.851 0.523 -1.526) 1.824 18.877 ( -0.377 -0.773 1.735) 1.937 18.877 ( -0.377 0.773 1.735) 1.937 18.950 ( 0.968 -1.309 -3.427) 3.794 18.950 ( 0.968 1.309 -3.427) 3.794 19.101 ( -0.403 -3.181 1.824) 3.688 19.101 ( -0.403 3.181 1.824) 3.688 19.154 ( 1.125 -1.860 -1.035) 2.407 19.154 ( 1.125 1.860 -1.035) 2.407 19.245 ( -0.642 -3.211 -1.516) 3.608 19.245 ( -0.642 3.211 -1.516) 3.608 19.351 ( 3.559 -1.303 0.381) 3.809 19.351 ( 3.559 1.303 0.381) 3.809 19.414 ( 5.497 -2.202 2.008) 6.253 19.414 ( 5.497 2.202 2.008) 6.253 19.849 ( 0.829 -3.958 -0.938) 4.151 19.849 ( 0.829 3.958 -0.938) 4.151 20.487 ( -7.825 -1.423 0.709) 7.985 20.487 ( -7.825 1.423 0.709) 7.985 20.797 ( -5.935 -2.737 0.543) 6.558 20.797 ( -5.935 2.737 0.543) 6.558 ======================= Grid point 81 (45/48) ======================= q-point: ( 0.33 -0.50 -0.60) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 3.054 -0.869 -0.120) 3.177 1.100 ( 3.054 0.869 -0.120) 3.177 1.253 ( -4.952 -7.900 -4.770) 10.473 1.253 ( -4.952 7.900 -4.770) 10.473 1.537 ( 4.424 -3.280 4.677) 7.225 1.537 ( 4.424 3.280 4.677) 7.225 1.702 ( 2.837 -3.369 -2.823) 5.231 1.702 ( 2.837 3.369 -2.823) 5.231 1.841 ( 6.347 -5.853 1.097) 8.704 1.841 ( 6.347 5.853 1.097) 8.704 1.934 ( 3.268 -6.052 -1.845) 7.121 1.934 ( 3.268 6.052 -1.845) 7.121 2.048 ( 5.017 -4.251 3.969) 7.681 2.048 ( 5.017 4.251 3.969) 7.681 2.197 ( 1.293 -2.782 2.834) 4.177 2.197 ( 1.293 2.782 2.834) 4.177 2.341 ( -2.548 -3.136 3.391) 5.275 2.341 ( -2.548 3.136 3.391) 5.275 2.454 ( 0.432 -2.763 -3.376) 4.384 2.454 ( 0.432 2.763 -3.376) 4.384 2.476 ( 0.407 -3.892 -3.259) 5.093 2.476 ( 0.407 3.892 -3.259) 5.093 2.548 ( -4.680 -3.966 5.601) 8.307 2.548 ( -4.680 3.966 5.601) 8.307 2.663 ( 2.597 -3.500 2.532) 5.040 2.663 ( 2.597 3.500 2.532) 5.040 2.753 ( -1.202 -1.623 1.855) 2.742 2.753 ( -1.202 1.623 1.855) 2.742 2.801 ( 2.533 -2.954 -0.527) 3.927 2.801 ( 2.533 2.954 -0.527) 3.927 2.917 ( -3.080 -1.838 -3.947) 5.333 2.917 ( -3.080 1.838 -3.947) 5.333 2.997 ( -1.798 -3.697 -0.220) 4.117 2.997 ( -1.798 3.697 -0.220) 4.117 3.150 ( 3.232 -3.976 3.010) 5.943 3.150 ( 3.232 3.976 3.010) 5.943 3.213 ( 2.164 -3.466 1.121) 4.237 3.213 ( 2.164 3.466 1.121) 4.237 3.301 ( -1.494 -2.420 2.647) 3.885 3.301 ( -1.494 2.420 2.647) 3.885 3.339 ( 1.068 -3.791 1.202) 4.118 3.339 ( 1.068 3.791 1.202) 4.118 3.424 ( -0.391 -0.331 1.760) 1.833 3.424 ( -0.391 0.331 1.760) 1.833 3.508 ( 0.283 -2.151 3.542) 4.153 3.508 ( 0.283 2.151 3.542) 4.153 3.569 ( 3.171 -1.519 -2.025) 4.057 3.569 ( 3.171 1.519 -2.025) 4.057 3.667 ( -1.477 -2.419 2.522) 3.794 3.667 ( -1.477 2.419 2.522) 3.794 3.738 ( -0.217 -4.159 -2.014) 4.626 3.738 ( -0.217 4.159 -2.014) 4.626 3.789 ( -3.915 -5.666 3.575) 7.760 3.789 ( -3.915 5.666 3.575) 7.760 3.910 ( 1.568 -4.003 0.732) 4.361 3.910 ( 1.568 4.003 0.732) 4.361 4.006 ( -1.156 -6.167 -0.694) 6.313 4.006 ( -1.156 6.167 -0.694) 6.313 4.063 ( -3.675 -4.015 -4.524) 7.077 4.063 ( -3.675 4.015 -4.524) 7.077 4.166 ( 3.409 -2.755 1.844) 4.755 4.166 ( 3.409 2.755 1.844) 4.755 4.225 ( 0.462 -0.177 -1.616) 1.690 4.225 ( 0.462 0.177 -1.616) 1.690 4.254 ( -4.626 -2.032 -0.580) 5.086 4.254 ( -4.626 2.032 -0.580) 5.086 4.426 ( 2.499 -0.462 -3.688) 4.479 4.426 ( 2.499 0.462 -3.688) 4.479 4.486 ( -1.190 -4.720 1.511) 5.097 4.486 ( -1.190 4.720 1.511) 5.097 4.520 ( -0.606 -2.601 -0.672) 2.754 4.520 ( -0.606 2.601 -0.672) 2.754 4.658 ( -0.748 -2.810 1.932) 3.491 4.658 ( -0.748 2.810 1.932) 3.491 4.714 ( 2.553 -1.447 1.547) 3.318 4.714 ( 2.553 1.447 1.547) 3.318 4.799 ( 7.718 -1.829 1.889) 8.153 4.799 ( 7.718 1.829 1.889) 8.153 4.914 ( 1.980 -1.200 -7.984) 8.313 4.914 ( 1.980 1.200 -7.984) 8.313 5.018 ( -1.679 -3.349 -1.716) 4.121 5.018 ( -1.679 3.349 -1.716) 4.121 5.084 ( 3.709 -5.788 -1.947) 7.145 5.084 ( 3.709 5.788 -1.947) 7.145 5.204 ( 3.709 -4.369 0.599) 5.763 5.204 ( 3.709 4.369 0.599) 5.763 5.331 ( 1.186 -5.639 -4.994) 7.626 5.331 ( 1.186 5.639 -4.994) 7.626 5.378 ( -3.621 -1.661 2.021) 4.467 5.378 ( -3.621 1.661 2.021) 4.467 5.423 ( 0.504 -2.211 0.229) 2.280 5.423 ( 0.504 2.211 0.229) 2.280 5.479 ( 2.464 -6.742 -1.263) 7.288 5.479 ( 2.464 6.742 -1.263) 7.288 5.569 ( 0.752 -1.009 -2.681) 2.961 5.569 ( 0.752 1.009 -2.681) 2.961 5.820 ( 1.571 -2.948 1.733) 3.764 5.820 ( 1.571 2.948 1.733) 3.764 5.950 ( -3.140 -4.513 -1.526) 5.705 5.950 ( -3.140 4.513 -1.526) 5.705 6.027 ( -2.509 -9.767 2.710) 10.442 6.027 ( -2.509 9.767 2.710) 10.442 6.137 ( -0.749 -0.494 -2.300) 2.469 6.137 ( -0.749 0.494 -2.300) 2.469 6.193 ( -1.131 -1.406 1.955) 2.660 6.193 ( -1.131 1.406 1.955) 2.660 6.311 ( -1.521 -1.708 0.597) 2.364 6.311 ( -1.521 1.708 0.597) 2.364 6.403 ( -1.164 -3.353 0.487) 3.582 6.403 ( -1.164 3.353 0.487) 3.582 6.512 ( -7.740 -0.579 -0.617) 7.786 6.512 ( -7.740 0.579 -0.617) 7.786 6.689 ( -5.151 -2.296 2.244) 6.069 6.689 ( -5.151 2.296 2.244) 6.069 6.745 ( -2.088 -3.495 -0.710) 4.132 6.745 ( -2.088 3.495 -0.710) 4.132 6.853 ( 1.011 -4.328 0.549) 4.478 6.853 ( 1.011 4.328 0.549) 4.478 6.932 ( -3.896 -2.155 0.120) 4.454 6.932 ( -3.896 2.155 0.120) 4.454 7.078 ( 0.038 -2.783 0.207) 2.791 7.078 ( 0.038 2.783 0.207) 2.791 7.142 ( -6.224 -1.711 -0.293) 6.461 7.142 ( -6.224 1.711 -0.293) 6.461 7.445 ( 2.096 -1.896 -1.048) 3.014 7.445 ( 2.096 1.896 -1.048) 3.014 7.542 ( -1.349 -0.847 1.240) 2.018 7.542 ( -1.349 0.847 1.240) 2.018 7.678 ( 1.640 -5.548 0.957) 5.864 7.678 ( 1.640 5.548 0.957) 5.864 7.786 ( -1.774 -1.605 1.255) 2.701 7.786 ( -1.774 1.605 1.255) 2.701 8.379 ( 1.482 -0.400 1.700) 2.291 8.379 ( 1.482 0.400 1.700) 2.291 8.473 ( -0.779 -0.474 1.633) 1.870 8.473 ( -0.779 0.474 1.633) 1.870 8.714 ( 0.678 -7.316 -1.472) 7.493 8.714 ( 0.678 7.316 -1.472) 7.493 8.783 ( 2.861 -0.684 0.447) 2.975 8.783 ( 2.861 0.684 0.447) 2.975 9.068 ( 4.036 -2.387 3.131) 5.638 9.068 ( 4.036 2.387 3.131) 5.638 9.275 ( 4.884 -0.212 -2.507) 5.494 9.275 ( 4.884 0.212 -2.507) 5.494 9.810 ( -0.554 -2.492 7.021) 7.471 9.810 ( -0.554 2.492 7.021) 7.471 10.052 ( -1.784 -3.528 -5.671) 6.913 10.052 ( -1.784 3.528 -5.671) 6.913 10.299 ( -4.086 -0.882 1.400) 4.409 10.299 ( -4.086 0.882 1.400) 4.409 10.514 ( -1.868 -2.786 -8.196) 8.855 10.514 ( -1.868 2.786 -8.196) 8.855 11.051 ( 0.274 -1.073 -1.069) 1.539 11.051 ( 0.274 1.073 -1.069) 1.539 11.127 ( 0.165 -0.456 -2.262) 2.313 11.127 ( 0.165 0.456 -2.262) 2.313 11.624 ( 5.703 -2.565 2.000) 6.565 11.624 ( 5.703 2.565 2.000) 6.565 11.714 ( 3.942 -3.212 1.785) 5.389 11.714 ( 3.942 3.212 1.785) 5.389 11.995 ( 3.147 -1.465 0.962) 3.602 11.995 ( 3.147 1.465 0.962) 3.602 12.241 ( 9.451 -2.396 3.301) 10.293 12.241 ( 9.451 2.396 3.301) 10.293 12.524 ( -0.424 -1.367 1.869) 2.354 12.524 ( -0.424 1.367 1.869) 2.354 12.563 ( -0.327 -0.667 3.107) 3.195 12.563 ( -0.327 0.667 3.107) 3.195 12.711 ( -9.570 -1.406 -0.755) 9.702 12.711 ( -9.570 1.406 -0.755) 9.702 12.839 ( -1.731 -3.738 -6.618) 7.795 12.839 ( -1.731 3.738 -6.618) 7.795 14.419 ( -2.095 -4.052 0.955) 4.661 14.419 ( -2.095 4.052 0.955) 4.661 14.525 ( -2.461 -2.643 -2.460) 4.370 14.525 ( -2.461 2.643 -2.460) 4.370 17.102 ( 1.650 -0.266 2.693) 3.169 17.102 ( 1.650 0.266 2.693) 3.169 17.319 ( 2.853 -3.645 -3.360) 5.720 17.319 ( 2.853 3.645 -3.360) 5.720 18.238 ( -0.753 -2.335 3.244) 4.067 18.238 ( -0.753 2.335 3.244) 4.067 18.360 ( -0.056 -1.479 -3.217) 3.541 18.360 ( -0.056 1.479 -3.217) 3.541 18.874 ( -0.781 -1.282 1.277) 1.971 18.874 ( -0.781 1.282 1.277) 1.971 18.940 ( 0.183 -2.498 -3.932) 4.662 18.940 ( 0.183 2.498 -3.932) 4.662 19.108 ( -0.491 -4.797 3.122) 5.744 19.108 ( -0.491 4.797 3.122) 5.744 19.175 ( 1.920 -3.271 -2.532) 4.560 19.175 ( 1.920 3.271 -2.532) 4.560 19.228 ( -0.048 -3.122 -1.474) 3.453 19.228 ( -0.048 3.122 -1.474) 3.453 19.429 ( 4.165 -1.627 0.904) 4.562 19.429 ( 4.165 1.627 0.904) 4.562 19.549 ( 7.554 -2.866 3.216) 8.696 19.549 ( 7.554 2.866 3.216) 8.696 19.858 ( -0.019 -3.684 -1.113) 3.849 19.858 ( -0.019 3.684 -1.113) 3.849 20.338 ( -7.653 -2.100 1.414) 8.061 20.338 ( -7.653 2.100 1.414) 8.061 20.675 ( -7.473 -3.200 -0.028) 8.129 20.675 ( -7.473 3.200 -0.028) 8.129 ======================= Grid point 83 (46/48) ======================= q-point: (-0.50 -0.50 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -7.602 -6.155 4.992) 10.981 1.085 ( -7.602 6.155 4.992) 10.981 1.205 ( 5.236 -2.766 -6.560) 8.838 1.205 ( 5.236 2.766 -6.560) 8.838 1.617 ( 0.808 -3.370 3.873) 5.197 1.617 ( 0.808 3.370 3.873) 5.197 1.687 ( -1.882 -2.024 -3.756) 4.663 1.687 ( -1.882 2.024 -3.756) 4.663 1.908 ( -1.841 -7.480 2.409) 8.071 1.908 ( -1.841 7.480 2.409) 8.071 1.981 ( 2.630 -5.301 -3.476) 6.863 1.981 ( 2.630 5.301 -3.476) 6.863 2.133 ( 0.760 -4.956 6.853) 8.491 2.133 ( 0.760 4.956 6.853) 8.492 2.179 ( -3.339 -3.317 -0.163) 4.710 2.179 ( -3.339 3.317 -0.163) 4.710 2.346 ( -0.881 -0.026 7.296) 7.349 2.346 ( -0.881 0.026 7.296) 7.349 2.405 ( -3.881 -5.978 1.015) 7.199 2.405 ( -3.881 5.978 1.015) 7.199 2.453 ( -4.771 -1.379 1.283) 5.129 2.453 ( -4.771 1.379 1.283) 5.129 2.519 ( 6.334 -3.759 -4.658) 8.715 2.519 ( 6.334 3.759 -4.658) 8.715 2.719 ( 0.939 -2.561 2.921) 3.997 2.719 ( 0.939 2.561 2.921) 3.997 2.770 ( 0.654 -3.612 3.896) 5.353 2.770 ( 0.654 3.612 3.896) 5.353 2.844 ( -1.488 -3.127 -6.108) 7.021 2.844 ( -1.488 3.127 -6.108) 7.021 2.855 ( 2.619 -3.023 -2.661) 4.804 2.855 ( 2.619 3.023 -2.661) 4.804 3.025 ( 2.369 -1.599 0.428) 2.890 3.025 ( 2.369 1.599 0.428) 2.890 3.169 ( -4.154 -2.489 4.043) 6.309 3.169 ( -4.154 2.489 4.043) 6.309 3.216 ( -0.164 -5.063 1.675) 5.335 3.216 ( -0.164 5.063 1.675) 5.335 3.319 ( 3.268 -2.558 -0.780) 4.223 3.319 ( 3.268 2.558 -0.780) 4.223 3.362 ( -0.958 -0.797 2.392) 2.697 3.362 ( -0.958 0.797 2.392) 2.697 3.407 ( 0.420 -2.889 1.283) 3.189 3.407 ( 0.420 2.889 1.283) 3.189 3.476 ( -6.284 -3.137 1.952) 7.290 3.476 ( -6.284 3.137 1.952) 7.290 3.619 ( -1.655 -4.236 1.362) 4.748 3.619 ( -1.655 4.236 1.362) 4.748 3.662 ( 0.506 -1.821 2.112) 2.834 3.662 ( 0.506 1.821 2.112) 2.834 3.702 ( 1.642 -3.440 -1.566) 4.121 3.702 ( 1.642 3.440 -1.566) 4.121 3.792 ( 4.162 -2.469 1.832) 5.175 3.792 ( 4.162 2.469 1.832) 5.175 3.933 ( 0.253 -5.633 -11.208) 12.546 3.933 ( 0.253 5.633 -11.208) 12.546 3.995 ( 1.750 -1.056 0.787) 2.190 3.995 ( 1.750 1.056 0.787) 2.190 4.008 ( -1.482 -0.816 2.630) 3.128 4.008 ( -1.482 0.816 2.630) 3.128 4.173 ( 0.479 -5.061 5.341) 7.373 4.173 ( 0.479 5.061 5.341) 7.373 4.225 ( -0.640 -3.938 1.346) 4.211 4.225 ( -0.640 3.938 1.346) 4.211 4.271 ( 1.550 -2.060 -0.948) 2.747 4.271 ( 1.550 2.060 -0.948) 2.747 4.401 ( -1.500 -0.961 -5.287) 5.579 4.401 ( -1.500 0.961 -5.287) 5.579 4.476 ( 0.106 -7.391 -0.958) 7.454 4.476 ( 0.106 7.391 -0.958) 7.454 4.523 ( 0.224 -0.587 -4.541) 4.585 4.523 ( 0.224 0.587 -4.541) 4.585 4.683 ( 3.147 -5.254 6.072) 8.624 4.683 ( 3.147 5.254 6.072) 8.624 4.744 ( -1.200 -1.586 5.772) 6.105 4.744 ( -1.200 1.586 5.772) 6.105 4.867 ( -0.856 -2.033 -4.646) 5.143 4.867 ( -0.856 2.033 -4.646) 5.143 4.936 ( 1.109 -2.723 -6.952) 7.548 4.936 ( 1.109 2.723 -6.952) 7.548 5.009 ( 2.827 -0.574 -0.107) 2.887 5.009 ( 2.827 0.574 -0.107) 2.887 5.110 ( -0.521 -7.115 -2.536) 7.571 5.110 ( -0.521 7.115 -2.536) 7.571 5.195 ( -2.201 -6.335 0.950) 6.773 5.195 ( -2.201 6.335 0.950) 6.773 5.297 ( -0.231 -2.743 -1.499) 3.135 5.297 ( -0.231 2.743 -1.499) 3.135 5.376 ( 0.722 -0.821 1.216) 1.635 5.376 ( 0.722 0.821 1.216) 1.635 5.453 ( 2.254 -0.941 -3.455) 4.231 5.453 ( 2.254 0.941 -3.455) 4.231 5.516 ( 0.342 -4.433 -0.902) 4.537 5.516 ( 0.342 4.433 -0.902) 4.537 5.558 ( 0.809 -2.604 -3.464) 4.408 5.558 ( 0.809 2.604 -3.464) 4.408 5.849 ( 0.443 -1.157 2.083) 2.423 5.849 ( 0.443 1.157 2.083) 2.423 5.885 ( -1.664 -3.309 -1.212) 3.897 5.885 ( -1.664 3.309 -1.212) 3.897 6.018 ( -1.444 -5.169 3.539) 6.429 6.018 ( -1.444 5.169 3.539) 6.429 6.106 ( -0.075 -2.557 -3.926) 4.686 6.106 ( -0.075 2.557 -3.926) 4.686 6.200 ( -1.479 -1.870 4.117) 4.758 6.200 ( -1.479 1.870 4.117) 4.758 6.266 ( -1.421 -0.368 0.715) 1.632 6.266 ( -1.421 0.368 0.715) 1.632 6.415 ( 2.320 -7.071 0.709) 7.475 6.415 ( 2.320 7.071 0.709) 7.475 6.430 ( -0.909 -3.408 -0.703) 3.597 6.430 ( -0.909 3.408 -0.703) 3.597 6.624 ( -0.859 -1.044 0.939) 1.646 6.624 ( -0.859 1.044 0.939) 1.646 6.727 ( -0.824 -2.108 1.306) 2.613 6.727 ( -0.824 2.108 1.306) 2.613 6.885 ( 1.557 -2.662 1.451) 3.408 6.885 ( 1.557 2.662 1.451) 3.408 6.906 ( -0.597 -3.386 0.084) 3.439 6.906 ( -0.597 3.386 0.084) 3.439 7.047 ( -0.620 -1.178 0.378) 1.384 7.047 ( -0.620 1.178 0.378) 1.384 7.093 ( 0.481 -2.229 -1.981) 3.020 7.093 ( 0.481 2.229 -1.981) 3.020 7.466 ( -0.230 -1.591 0.001) 1.608 7.466 ( -0.230 1.591 0.001) 1.608 7.529 ( 0.336 -1.552 -0.117) 1.592 7.529 ( 0.336 1.552 -0.117) 1.592 7.710 ( -0.472 -0.584 0.963) 1.221 7.710 ( -0.472 0.584 0.963) 1.221 7.758 ( -0.058 -0.501 0.938) 1.065 7.758 ( -0.058 0.501 0.938) 1.065 8.403 ( -1.540 -1.987 3.931) 4.666 8.403 ( -1.540 1.987 3.931) 4.666 8.479 ( 1.922 -2.685 -1.704) 3.715 8.479 ( 1.922 2.685 -1.704) 3.715 8.716 ( -0.180 -3.009 -0.329) 3.032 8.716 ( -0.180 3.009 -0.329) 3.032 8.815 ( 0.535 -1.789 -0.253) 1.884 8.815 ( 0.535 1.789 -0.253) 1.884 9.160 ( 2.654 -2.229 5.058) 6.132 9.160 ( 2.654 2.229 5.058) 6.132 9.285 ( -1.759 -1.082 -4.934) 5.349 9.285 ( -1.759 1.082 -4.934) 5.349 9.841 ( -0.672 -2.485 8.057) 8.458 9.841 ( -0.672 2.485 8.057) 8.458 10.004 ( 0.316 -2.761 -7.073) 7.599 10.004 ( 0.316 2.761 -7.073) 7.599 10.262 ( -0.040 -2.517 1.750) 3.066 10.262 ( -0.040 2.517 1.750) 3.066 10.447 ( -0.025 -1.058 -7.191) 7.268 10.447 ( -0.025 1.058 -7.191) 7.268 11.049 ( 0.064 -0.701 -0.492) 0.859 11.049 ( 0.064 0.701 -0.492) 0.859 11.124 ( 0.613 -0.952 -2.193) 2.469 11.124 ( 0.613 0.952 -2.193) 2.469 11.664 ( -0.276 -0.742 1.022) 1.293 11.664 ( -0.276 0.742 1.022) 1.293 11.762 ( -0.318 -0.914 0.680) 1.183 11.762 ( -0.318 0.914 0.680) 1.183 12.156 ( 8.959 -1.830 6.300) 11.104 12.156 ( 8.959 1.830 6.300) 11.104 12.295 ( -6.145 -2.006 -4.003) 7.603 12.295 ( -6.145 2.006 -4.003) 7.603 12.530 ( -1.755 -0.707 3.352) 3.849 12.530 ( -1.755 0.707 3.352) 3.849 12.552 ( -5.178 -3.008 6.238) 8.646 12.552 ( -5.178 3.008 6.238) 8.646 12.609 ( 4.239 -1.163 0.571) 4.433 12.609 ( 4.239 1.163 0.571) 4.433 12.769 ( -0.248 -3.073 -9.018) 9.530 12.769 ( -0.248 3.073 -9.018) 9.530 14.402 ( -1.202 -3.284 2.231) 4.148 14.402 ( -1.202 3.284 2.231) 4.148 14.487 ( 0.903 -2.858 -3.433) 4.557 14.487 ( 0.903 2.858 -3.433) 4.557 17.146 ( 0.800 -0.945 2.922) 3.174 17.146 ( 0.800 0.945 2.922) 3.174 17.319 ( -0.500 -2.351 -3.430) 4.189 17.319 ( -0.500 2.351 -3.430) 4.189 18.254 ( 0.173 -2.434 4.110) 4.779 18.254 ( 0.173 2.434 4.110) 4.779 18.333 ( -0.477 -2.224 -3.996) 4.598 18.333 ( -0.477 2.224 -3.996) 4.598 18.867 ( -0.952 -1.696 1.862) 2.693 18.867 ( -0.952 1.696 1.862) 2.693 18.923 ( 0.582 -2.440 -3.685) 4.458 18.923 ( 0.582 2.440 -3.685) 4.458 19.113 ( -1.063 -5.208 3.625) 6.434 19.113 ( -1.063 5.208 3.625) 6.434 19.179 ( 0.330 -3.956 -2.936) 4.937 19.179 ( 0.330 3.956 -2.936) 4.937 19.226 ( -0.044 -1.375 -0.353) 1.420 19.226 ( -0.044 1.375 -0.353) 1.420 19.480 ( 0.981 -1.583 -0.365) 1.898 19.480 ( 0.981 1.583 -0.365) 1.898 19.689 ( 4.113 -1.314 2.336) 4.909 19.689 ( 4.113 1.314 2.336) 4.909 19.807 ( -2.960 -2.669 -2.092) 4.501 19.807 ( -2.960 2.669 -2.092) 4.501 20.289 ( 0.220 -1.592 2.735) 3.172 20.289 ( 0.220 1.592 2.735) 3.172 20.581 ( -1.050 -3.377 -0.568) 3.582 20.581 ( -1.050 3.377 -0.568) 3.582 ======================= Grid point 85 (47/48) ======================= q-point: (-0.33 -0.50 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -5.476 -4.216 7.673) 10.326 0.993 ( -5.476 4.216 7.673) 10.326 1.272 ( 3.555 -3.796 -3.173) 6.092 1.272 ( 3.555 3.796 -3.173) 6.092 1.542 ( -8.487 -5.112 1.932) 10.094 1.542 ( -8.487 5.112 1.932) 10.094 1.657 ( -2.580 -7.837 2.539) 8.632 1.657 ( -2.580 7.837 2.539) 8.632 1.836 ( -5.160 -4.068 0.916) 6.634 1.836 ( -5.160 4.068 0.916) 6.634 1.948 ( -3.710 -8.708 -3.686) 10.158 1.948 ( -3.710 8.708 -3.686) 10.158 2.095 ( -5.049 -0.794 3.493) 6.190 2.095 ( -5.049 0.794 3.493) 6.190 2.192 ( -2.635 -1.881 8.960) 9.527 2.192 ( -2.635 1.881 8.960) 9.527 2.274 ( -3.927 -5.685 -3.854) 7.912 2.274 ( -3.927 5.685 -3.854) 7.912 2.359 ( -2.775 -0.814 3.891) 4.848 2.359 ( -2.775 0.814 3.891) 4.848 2.480 ( 2.056 -2.415 4.186) 5.251 2.480 ( 2.056 2.415 4.186) 5.251 2.612 ( 4.104 -4.369 -2.240) 6.399 2.612 ( 4.104 4.369 -2.240) 6.399 2.709 ( -5.841 -2.810 1.053) 6.566 2.709 ( -5.841 2.810 1.053) 6.566 2.756 ( -2.774 -2.195 -0.275) 3.548 2.756 ( -2.774 2.195 -0.275) 3.548 2.802 ( 2.015 -4.929 -0.755) 5.379 2.802 ( 2.015 4.929 -0.755) 5.379 2.887 ( 3.105 -2.161 -1.015) 3.917 2.887 ( 3.105 2.161 -1.015) 3.917 3.032 ( 3.185 -2.639 -3.463) 5.395 3.032 ( 3.185 2.639 -3.463) 5.395 3.158 ( -1.968 -3.869 3.512) 5.584 3.158 ( -1.968 3.869 3.512) 5.584 3.222 ( -1.515 -2.296 2.274) 3.569 3.222 ( -1.515 2.296 2.274) 3.569 3.315 ( -2.928 -2.009 0.112) 3.552 3.315 ( -2.928 2.009 0.112) 3.552 3.358 ( 0.754 -3.921 -1.548) 4.283 3.358 ( 0.754 3.921 -1.548) 4.283 3.435 ( 3.112 -1.611 -1.724) 3.905 3.435 ( 3.112 1.611 -1.724) 3.905 3.452 ( 3.068 -1.661 3.812) 5.167 3.452 ( 3.068 1.661 3.812) 5.167 3.582 ( -2.616 -4.292 4.791) 6.944 3.582 ( -2.616 4.292 4.791) 6.944 3.652 ( -1.769 -1.938 -2.982) 3.972 3.652 ( -1.769 1.938 -2.982) 3.972 3.773 ( 4.364 -1.567 -4.555) 6.500 3.773 ( 4.364 1.567 -4.555) 6.500 3.871 ( -0.728 -4.566 -3.993) 6.109 3.871 ( -0.728 4.566 -3.993) 6.109 3.918 ( 3.557 -4.534 1.863) 6.057 3.918 ( 3.557 4.534 1.863) 6.057 3.984 ( 2.244 -1.989 2.845) 4.134 3.984 ( 2.244 1.989 2.845) 4.134 4.064 ( 3.451 -1.014 -3.302) 4.883 4.064 ( 3.451 1.014 -3.302) 4.883 4.135 ( -4.767 -2.131 -0.509) 5.247 4.135 ( -4.767 2.131 -0.509) 5.247 4.253 ( -0.655 -1.503 0.814) 1.830 4.253 ( -0.655 1.503 0.814) 1.830 4.282 ( 1.117 -4.822 -1.841) 5.281 4.282 ( 1.117 4.822 -1.841) 5.281 4.396 ( 3.467 -2.425 5.119) 6.641 4.396 ( 3.467 2.425 5.119) 6.641 4.478 ( 0.184 -8.015 -4.062) 8.987 4.478 ( 0.184 8.015 -4.062) 8.987 4.518 ( 2.510 -1.698 0.265) 3.042 4.518 ( 2.510 1.698 0.265) 3.042 4.679 ( -3.979 -2.042 -5.320) 6.950 4.679 ( -3.979 2.042 -5.320) 6.950 4.739 ( -3.390 -4.098 4.095) 6.712 4.739 ( -3.390 4.098 4.095) 6.712 4.811 ( -1.817 -2.918 -0.971) 3.572 4.811 ( -1.817 2.918 -0.971) 3.572 4.870 ( -4.469 -2.174 -4.918) 6.992 4.870 ( -4.469 2.174 -4.918) 6.992 5.027 ( 3.199 -3.449 -0.409) 4.722 5.027 ( 3.199 3.449 -0.409) 4.722 5.077 ( -3.522 -2.372 -1.504) 4.504 5.077 ( -3.522 2.372 -1.504) 4.504 5.213 ( 1.965 -5.078 2.317) 5.917 5.213 ( 1.965 5.078 2.317) 5.917 5.283 ( -4.240 -2.903 -3.822) 6.404 5.283 ( -4.240 2.903 -3.822) 6.404 5.367 ( -0.732 -3.800 -0.943) 3.983 5.367 ( -0.732 3.800 -0.943) 3.983 5.425 ( -2.709 -5.467 1.071) 6.195 5.425 ( -2.709 5.467 1.071) 6.195 5.493 ( 0.856 -1.044 -0.553) 1.459 5.493 ( 0.856 1.044 -0.553) 1.459 5.598 ( 4.027 -1.354 -5.088) 6.628 5.598 ( 4.027 1.354 -5.088) 6.628 5.841 ( -2.181 -2.582 0.614) 3.436 5.841 ( -2.181 2.582 0.614) 3.436 5.907 ( 3.382 -3.348 0.921) 4.847 5.907 ( 3.382 3.348 0.921) 4.847 6.010 ( 1.053 -2.542 6.080) 6.674 6.010 ( 1.053 2.542 6.080) 6.674 6.105 ( -0.484 -6.271 -0.974) 6.365 6.105 ( -0.484 6.271 -0.974) 6.365 6.192 ( 0.187 -2.905 2.709) 3.977 6.192 ( 0.187 2.905 2.709) 3.977 6.297 ( 1.577 -2.003 1.847) 3.148 6.297 ( 1.577 2.003 1.847) 3.148 6.427 ( 1.360 -3.503 -1.926) 4.223 6.427 ( 1.360 3.503 -1.926) 4.223 6.506 ( 6.516 -1.721 0.052) 6.740 6.506 ( 6.516 1.721 0.052) 6.740 6.678 ( 3.833 -4.491 2.507) 6.414 6.678 ( 3.833 4.491 2.507) 6.414 6.731 ( 1.489 -3.797 1.294) 4.278 6.731 ( 1.489 3.797 1.294) 4.278 6.873 ( -1.326 -3.927 -1.038) 4.273 6.873 ( -1.326 3.927 -1.038) 4.273 6.933 ( 2.638 -1.388 0.126) 2.983 6.933 ( 2.638 1.388 0.126) 2.983 7.076 ( 0.883 -2.805 0.129) 2.944 7.076 ( 0.883 2.805 0.129) 2.944 7.142 ( 7.017 -1.143 -0.275) 7.115 7.142 ( 7.017 1.143 -0.275) 7.115 7.432 ( -3.324 -2.166 0.499) 3.999 7.432 ( -3.324 2.166 0.499) 3.999 7.553 ( 2.225 -1.520 -0.560) 2.752 7.553 ( 2.225 1.520 -0.560) 2.752 7.682 ( -1.575 -5.055 1.127) 5.413 7.682 ( -1.575 5.055 1.127) 5.413 7.795 ( 2.179 -3.752 0.317) 4.351 7.795 ( 2.179 3.752 0.317) 4.351 8.369 ( -3.524 -2.130 2.139) 4.640 8.369 ( -3.524 2.130 2.139) 4.640 8.518 ( 3.003 -1.685 -1.975) 3.970 8.518 ( 3.003 1.685 -1.975) 3.970 8.700 ( -1.430 -2.624 0.075) 2.989 8.700 ( -1.430 2.624 0.075) 2.989 8.800 ( -1.531 -2.946 -1.261) 3.551 8.800 ( -1.531 2.946 -1.261) 3.551 9.146 ( -5.502 -0.876 -3.601) 6.633 9.146 ( -5.502 0.876 -3.601) 6.633 9.222 ( -2.447 -1.225 1.790) 3.270 9.222 ( -2.447 1.225 1.790) 3.270 9.878 ( -0.435 -2.149 7.478) 7.793 9.878 ( -0.435 2.149 7.478) 7.793 9.982 ( 1.461 -1.911 -5.945) 6.413 9.982 ( 1.461 1.911 -5.945) 6.413 10.319 ( 4.646 -3.338 2.439) 6.219 10.319 ( 4.646 3.338 2.439) 6.219 10.447 ( 3.396 -1.515 -4.707) 5.999 10.447 ( 3.396 1.515 -4.707) 5.999 11.049 ( 0.260 -0.084 -0.474) 0.547 11.049 ( 0.260 0.084 -0.474) 0.547 11.123 ( 0.726 -1.315 -2.127) 2.604 11.123 ( 0.726 1.315 -2.127) 2.604 11.641 ( -2.801 -1.382 0.543) 3.170 11.641 ( -2.801 1.382 0.543) 3.170 11.736 ( -4.456 -2.674 -0.218) 5.201 11.736 ( -4.456 2.674 -0.218) 5.201 12.043 ( -10.522 -1.795 -4.566) 11.610 12.043 ( -10.522 1.795 -4.566) 11.610 12.250 ( -5.409 -2.420 2.317) 6.362 12.250 ( -5.409 2.420 2.317) 6.362 12.523 ( -1.399 -1.212 2.663) 3.244 12.523 ( -1.399 1.212 2.663) 3.244 12.549 ( -0.470 -1.481 6.148) 6.342 12.549 ( -0.470 1.481 6.148) 6.342 12.693 ( 4.264 -3.177 1.652) 5.568 12.693 ( 4.264 3.177 1.652) 5.568 12.795 ( 7.289 -2.276 -4.741) 8.988 12.795 ( 7.289 2.276 -4.741) 8.988 14.405 ( 0.601 -3.158 1.974) 3.772 14.405 ( 0.601 3.158 1.974) 3.772 14.523 ( 4.189 -3.910 -1.953) 6.054 14.523 ( 4.189 3.910 -1.953) 6.054 17.140 ( -2.229 -1.273 -0.148) 2.571 17.140 ( -2.229 1.273 -0.148) 2.571 17.281 ( -2.233 -0.517 -0.584) 2.365 17.281 ( -2.233 0.517 -0.584) 2.365 18.281 ( 0.139 -2.046 2.931) 3.577 18.281 ( 0.139 2.046 2.931) 3.577 18.309 ( 0.260 -1.043 -2.263) 2.506 18.309 ( 0.260 1.043 -2.263) 2.506 18.862 ( -0.989 -1.779 2.413) 3.157 18.862 ( -0.989 1.779 2.413) 3.157 18.926 ( 1.695 -1.598 -2.633) 3.516 18.926 ( 1.695 1.598 -2.633) 3.516 19.111 ( -1.439 -4.933 3.619) 6.285 19.111 ( -1.439 4.933 3.619) 6.285 19.161 ( -0.794 -3.388 -2.047) 4.037 19.161 ( -0.794 3.388 -2.047) 4.037 19.214 ( -1.004 -0.725 -0.022) 1.238 19.214 ( -1.004 0.725 -0.022) 1.238 19.456 ( -2.717 -3.644 -1.722) 4.860 19.456 ( -2.717 3.644 -1.722) 4.860 19.608 ( -7.857 -4.231 -2.272) 9.208 19.608 ( -7.857 4.231 -2.272) 9.208 19.844 ( 2.690 -1.579 0.004) 3.119 19.844 ( 2.690 1.579 0.004) 3.119 20.340 ( 4.795 -0.617 1.442) 5.045 20.340 ( 4.795 0.617 1.442) 5.045 20.665 ( 8.871 -2.918 0.952) 9.387 20.665 ( 8.871 2.918 0.952) 9.387 ======================= Grid point 87 (48/48) ======================= q-point: (-0.17 -0.50 0.40) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -1.482 -2.870 7.896) 8.531 0.983 ( -1.482 2.870 7.896) 8.531 1.257 ( -3.932 -5.871 5.055) 8.688 1.257 ( -3.932 5.871 5.055) 8.688 1.449 ( -3.281 -4.759 2.639) 6.354 1.449 ( -3.281 4.759 2.639) 6.354 1.631 ( -1.543 -11.340 5.599) 12.741 1.631 ( -1.543 11.340 5.599) 12.741 1.714 ( -7.005 -7.988 -4.216) 11.430 1.714 ( -7.005 7.988 -4.216) 11.430 1.901 ( -0.903 -5.271 0.099) 5.349 1.901 ( -0.903 5.271 0.099) 5.349 2.043 ( -2.775 -2.537 -2.482) 4.505 2.043 ( -2.775 2.537 -2.482) 4.505 2.100 ( -6.748 -3.377 10.756) 13.139 2.100 ( -6.748 3.377 10.756) 13.139 2.248 ( -2.239 -4.768 2.053) 5.654 2.248 ( -2.239 4.768 2.053) 5.654 2.344 ( 0.108 -3.734 1.739) 4.121 2.344 ( 0.108 3.734 1.739) 4.121 2.532 ( 0.162 -3.212 3.066) 4.444 2.532 ( 0.162 3.212 3.066) 4.444 2.589 ( -3.909 -1.382 3.777) 5.609 2.589 ( -3.909 1.382 3.777) 5.609 2.641 ( 1.070 -4.501 -2.396) 5.210 2.641 ( 1.070 4.501 -2.396) 5.210 2.733 ( -1.169 -3.233 3.337) 4.791 2.733 ( -1.169 3.233 3.337) 4.791 2.857 ( 2.082 -2.584 -2.477) 4.140 2.857 ( 2.082 2.584 -2.477) 4.140 2.970 ( 4.516 -2.491 0.389) 5.172 2.970 ( 4.516 2.491 0.389) 5.172 3.021 ( -3.398 -2.434 -1.319) 4.383 3.021 ( -3.398 2.434 -1.319) 4.383 3.151 ( 0.943 -2.066 -2.937) 3.713 3.151 ( 0.943 2.066 -2.937) 3.713 3.191 ( 0.235 -4.630 -3.176) 5.619 3.191 ( 0.235 4.630 -3.176) 5.619 3.284 ( -2.237 -5.264 -2.369) 6.191 3.284 ( -2.237 5.264 -2.369) 6.191 3.366 ( 0.921 -0.701 0.190) 1.173 3.366 ( 0.921 0.701 0.190) 1.173 3.441 ( 1.084 -3.243 -1.127) 3.601 3.441 ( 1.084 3.243 -1.127) 3.601 3.506 ( -5.646 -2.529 -4.882) 7.881 3.506 ( -5.646 2.529 -4.882) 7.881 3.601 ( 3.838 -4.717 5.944) 8.504 3.601 ( 3.838 4.717 5.944) 8.504 3.642 ( 4.862 -2.532 0.867) 5.550 3.642 ( 4.862 2.532 0.867) 5.550 3.766 ( -2.780 -2.480 -4.631) 5.944 3.766 ( -2.780 2.480 -4.631) 5.944 3.849 ( 1.477 -2.242 -0.225) 2.694 3.849 ( 1.477 2.242 -0.225) 2.694 3.915 ( 0.604 -3.145 -1.821) 3.684 3.915 ( 0.604 3.145 -1.821) 3.684 4.035 ( -2.804 -0.396 -0.974) 2.995 4.035 ( -2.804 0.396 -0.974) 2.995 4.073 ( -0.786 -1.769 4.282) 4.700 4.073 ( -0.786 1.769 4.282) 4.700 4.144 ( 3.296 -4.437 0.410) 5.542 4.144 ( 3.296 4.437 0.410) 5.542 4.190 ( -0.571 -8.978 -6.709) 11.223 4.190 ( -0.571 8.978 -6.709) 11.223 4.304 ( -1.520 -0.457 0.157) 1.595 4.304 ( -1.520 0.457 0.157) 1.595 4.455 ( 1.125 -3.114 -0.578) 3.361 4.455 ( 1.125 3.114 -0.578) 3.361 4.462 ( 1.019 -4.765 -1.527) 5.106 4.462 ( 1.019 4.765 -1.527) 5.106 4.604 ( 0.695 -3.204 -1.636) 3.664 4.604 ( 0.695 3.204 -1.636) 3.664 4.626 ( 2.069 -2.526 2.026) 3.843 4.626 ( 2.069 2.526 2.026) 3.843 4.662 ( -0.226 -1.941 -1.373) 2.388 4.662 ( -0.226 1.941 -1.373) 2.388 4.743 ( -6.197 -4.223 -0.041) 7.499 4.743 ( -6.197 4.223 -0.041) 7.499 4.830 ( 0.243 -3.001 0.537) 3.058 4.830 ( 0.243 3.001 0.537) 3.058 4.991 ( -3.226 -3.082 -3.596) 5.731 4.991 ( -3.226 3.082 -3.596) 5.731 5.096 ( 3.229 -4.340 2.003) 5.769 5.096 ( 3.229 4.340 2.003) 5.769 5.149 ( -3.647 -3.930 -3.966) 6.669 5.149 ( -3.647 3.930 -3.966) 6.669 5.285 ( 2.358 -2.349 -0.582) 3.379 5.285 ( 2.358 2.349 -0.582) 3.379 5.328 ( -2.576 -3.559 4.135) 6.033 5.328 ( -2.576 3.559 4.135) 6.033 5.416 ( -0.662 -4.273 3.510) 5.569 5.416 ( -0.662 4.273 3.510) 5.569 5.501 ( -0.262 -2.117 -1.261) 2.478 5.501 ( -0.262 2.117 -1.261) 2.478 5.612 ( 1.211 -2.591 -5.136) 5.878 5.612 ( 1.211 2.591 -5.136) 5.878 5.825 ( 1.136 -4.488 -0.974) 4.731 5.825 ( 1.136 4.488 -0.974) 4.731 5.939 ( -0.885 -3.052 3.035) 4.394 5.939 ( -0.885 3.052 3.035) 4.394 6.072 ( -0.490 -1.707 -0.913) 1.997 6.072 ( -0.490 1.707 -0.913) 1.997 6.133 ( 1.888 -5.874 3.458) 7.073 6.133 ( 1.888 5.874 3.458) 7.073 6.214 ( 0.780 -1.790 1.715) 2.599 6.214 ( 0.780 1.790 1.715) 2.599 6.343 ( 4.885 -2.536 1.057) 5.605 6.343 ( 4.885 2.536 1.057) 5.605 6.436 ( 1.200 -2.486 -1.118) 2.978 6.436 ( 1.200 2.486 -1.118) 2.978 6.615 ( 3.711 -5.084 1.023) 6.377 6.615 ( 3.711 5.084 1.023) 6.377 6.723 ( 0.997 -2.266 3.532) 4.313 6.723 ( 0.997 2.266 3.532) 4.313 6.803 ( 4.085 -1.353 -0.156) 4.306 6.803 ( 4.085 1.353 -0.156) 4.306 6.856 ( 0.608 -2.032 0.166) 2.128 6.856 ( 0.608 2.032 0.166) 2.128 6.998 ( 3.233 -0.533 1.042) 3.439 6.998 ( 3.233 0.533 1.042) 3.439 7.077 ( -0.188 -3.221 -0.273) 3.238 7.077 ( -0.188 3.221 -0.273) 3.238 7.236 ( 1.794 -4.093 -0.432) 4.489 7.236 ( 1.794 4.093 -0.432) 4.489 7.407 ( 1.112 -2.533 1.890) 3.351 7.407 ( 1.112 2.533 1.890) 3.351 7.579 ( 0.412 -2.081 -1.043) 2.364 7.579 ( 0.412 2.081 -1.043) 2.364 7.684 ( 1.192 -9.604 -0.658) 9.700 7.684 ( 1.192 9.604 -0.658) 9.700 7.800 ( -1.976 -1.087 -0.770) 2.383 7.800 ( -1.976 1.087 -0.770) 2.383 8.344 ( 0.424 -0.463 2.324) 2.408 8.344 ( 0.424 0.463 2.324) 2.408 8.533 ( -0.282 -1.306 -3.265) 3.528 8.533 ( -0.282 1.306 -3.265) 3.528 8.680 ( -0.681 -2.935 0.554) 3.064 8.680 ( -0.681 2.935 0.554) 3.064 8.765 ( -1.059 -2.655 -2.234) 3.628 8.765 ( -1.059 2.655 -2.234) 3.628 9.046 ( -2.251 -2.234 -2.448) 4.006 9.046 ( -2.251 2.234 -2.448) 4.006 9.166 ( -4.279 -1.982 -0.505) 4.743 9.166 ( -4.279 1.982 -0.505) 4.743 9.887 ( -0.860 -1.761 2.268) 2.998 9.887 ( -0.860 1.761 2.268) 2.998 9.999 ( 1.419 -1.146 0.434) 1.875 9.999 ( 1.419 1.146 0.434) 1.875 10.414 ( 2.481 -5.586 3.851) 7.224 10.414 ( 2.481 5.586 3.851) 7.224 10.481 ( 2.952 -1.928 -6.667) 7.542 10.481 ( 2.952 1.928 -6.667) 7.542 11.050 ( 0.466 -0.687 -0.917) 1.237 11.050 ( 0.466 0.687 -0.917) 1.237 11.133 ( 1.853 -1.106 -1.444) 2.596 11.133 ( 1.853 1.106 -1.444) 2.596 11.515 ( -6.821 -2.603 -1.375) 7.429 11.515 ( -6.821 2.603 -1.375) 7.429 11.679 ( -1.496 -3.080 1.095) 3.595 11.679 ( -1.496 3.080 1.095) 3.595 11.941 ( -3.556 -1.332 0.899) 3.902 11.941 ( -3.556 1.332 0.899) 3.902 12.094 ( -8.702 -3.733 -1.744) 9.628 12.094 ( -8.702 3.733 -1.744) 9.628 12.523 ( -0.737 -1.090 3.411) 3.656 12.523 ( -0.737 1.090 3.411) 3.656 12.562 ( -0.791 -0.908 3.225) 3.442 12.562 ( -0.791 0.908 3.225) 3.442 12.775 ( 3.291 -4.704 3.127) 6.538 12.775 ( 3.291 4.704 3.127) 6.538 12.896 ( 5.090 -2.381 -2.952) 6.348 12.896 ( 5.090 2.381 -2.952) 6.348 14.450 ( 2.979 -3.087 2.196) 4.820 14.450 ( 2.979 3.087 2.196) 4.820 14.580 ( 2.549 -3.929 -1.982) 5.085 14.580 ( 2.549 3.929 -1.982) 5.085 17.099 ( -1.172 -1.775 -0.565) 2.201 17.099 ( -1.172 1.775 -0.565) 2.201 17.231 ( -3.332 -2.094 0.370) 3.953 17.231 ( -3.332 2.094 0.370) 3.953 18.277 ( -0.506 -3.027 -0.871) 3.190 18.277 ( -0.506 3.027 -0.871) 3.190 18.327 ( 0.918 -2.386 1.850) 3.156 18.327 ( 0.918 2.386 1.850) 3.156 18.860 ( -0.790 -1.135 2.878) 3.193 18.860 ( -0.790 1.135 2.878) 3.193 18.945 ( 1.724 -0.711 -2.616) 3.213 18.945 ( 1.724 0.711 -2.616) 3.213 19.106 ( -1.014 -2.242 2.424) 3.454 19.106 ( -1.014 2.242 2.424) 3.454 19.138 ( -0.467 -1.976 -0.462) 2.082 19.138 ( -0.467 1.976 -0.462) 2.082 19.205 ( -0.154 -1.186 1.568) 1.972 19.205 ( -0.154 1.186 1.568) 1.972 19.387 ( -3.314 -2.265 -1.933) 4.455 19.387 ( -3.314 2.265 -1.933) 4.455 19.465 ( -6.362 -3.006 -3.120) 7.697 19.465 ( -6.362 3.006 -3.120) 7.697 19.857 ( 0.074 -2.089 -1.661) 2.670 19.857 ( 0.074 2.089 -1.661) 2.670 20.463 ( 6.474 -1.276 2.838) 7.183 20.463 ( 6.474 1.276 2.838) 7.183 20.820 ( 7.156 -0.733 -1.512) 7.350 20.820 ( 7.156 0.733 -1.512) 7.350 =================== 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 3/24480 10.0 58.728 19.325 52.638 0.000 10.910 0.000 3/24480 20.0 8.218 3.569 7.878 0.000 1.002 0.000 3/24480 30.0 3.437 1.690 3.411 0.000 0.308 0.000 3/24480 40.0 2.078 1.101 2.113 0.000 0.153 0.000 3/24480 50.0 1.483 0.826 1.533 0.000 0.096 0.000 3/24480 60.0 1.157 0.668 1.209 0.000 0.068 0.000 3/24480 70.0 0.954 0.564 1.003 0.000 0.052 0.000 3/24480 80.0 0.815 0.490 0.861 0.000 0.042 0.000 3/24480 90.0 0.714 0.435 0.757 0.000 0.035 0.000 3/24480 100.0 0.638 0.392 0.677 0.000 0.030 0.000 3/24480 110.0 0.578 0.357 0.614 0.000 0.027 0.000 3/24480 120.0 0.530 0.328 0.563 0.000 0.024 0.000 3/24480 130.0 0.490 0.304 0.521 0.000 0.022 0.000 3/24480 140.0 0.457 0.284 0.485 0.000 0.020 0.000 3/24480 150.0 0.428 0.266 0.455 0.000 0.019 0.000 3/24480 160.0 0.404 0.251 0.429 0.000 0.017 0.000 3/24480 170.0 0.382 0.238 0.406 0.000 0.016 0.000 3/24480 180.0 0.364 0.226 0.385 0.000 0.015 0.000 3/24480 190.0 0.347 0.215 0.367 0.000 0.015 0.000 3/24480 200.0 0.332 0.205 0.351 0.000 0.014 0.000 3/24480 210.0 0.318 0.197 0.336 0.000 0.013 0.000 3/24480 220.0 0.306 0.189 0.323 0.000 0.013 0.000 3/24480 230.0 0.294 0.181 0.310 0.000 0.012 0.000 3/24480 240.0 0.284 0.175 0.299 0.000 0.012 0.000 3/24480 250.0 0.274 0.169 0.288 0.000 0.011 0.000 3/24480 260.0 0.265 0.163 0.279 0.000 0.011 0.000 3/24480 270.0 0.257 0.157 0.269 0.000 0.010 0.000 3/24480 280.0 0.249 0.152 0.261 0.000 0.010 0.000 3/24480 290.0 0.242 0.148 0.253 0.000 0.010 0.000 3/24480 300.0 0.235 0.143 0.246 0.000 0.009 0.000 3/24480 310.0 0.228 0.139 0.238 0.000 0.009 0.000 3/24480 320.0 0.222 0.135 0.232 0.000 0.009 0.000 3/24480 330.0 0.216 0.132 0.226 0.000 0.008 0.000 3/24480 340.0 0.211 0.128 0.220 0.000 0.008 0.000 3/24480 350.0 0.205 0.125 0.214 0.000 0.008 0.000 3/24480 360.0 0.200 0.122 0.209 0.000 0.008 0.000 3/24480 370.0 0.196 0.119 0.204 0.000 0.008 0.000 3/24480 380.0 0.191 0.116 0.199 0.000 0.007 0.000 3/24480 390.0 0.187 0.113 0.194 0.000 0.007 0.000 3/24480 400.0 0.183 0.111 0.190 0.000 0.007 0.000 3/24480 410.0 0.179 0.108 0.185 0.000 0.007 0.000 3/24480 420.0 0.175 0.106 0.181 0.000 0.007 0.000 3/24480 430.0 0.171 0.103 0.177 0.000 0.006 0.000 3/24480 440.0 0.168 0.101 0.174 0.000 0.006 0.000 3/24480 450.0 0.164 0.099 0.170 0.000 0.006 0.000 3/24480 460.0 0.161 0.097 0.167 0.000 0.006 0.000 3/24480 470.0 0.158 0.095 0.163 0.000 0.006 0.000 3/24480 480.0 0.155 0.093 0.160 0.000 0.006 0.000 3/24480 490.0 0.152 0.092 0.157 0.000 0.006 0.000 3/24480 500.0 0.149 0.090 0.154 0.000 0.006 0.000 3/24480 510.0 0.147 0.088 0.151 0.000 0.005 0.000 3/24480 520.0 0.144 0.087 0.149 0.000 0.005 0.000 3/24480 530.0 0.142 0.085 0.146 0.000 0.005 0.000 3/24480 540.0 0.139 0.084 0.144 0.000 0.005 0.000 3/24480 550.0 0.137 0.082 0.141 0.000 0.005 0.000 3/24480 560.0 0.135 0.081 0.139 0.000 0.005 0.000 3/24480 570.0 0.132 0.080 0.136 0.000 0.005 0.000 3/24480 580.0 0.130 0.078 0.134 0.000 0.005 0.000 3/24480 590.0 0.128 0.077 0.132 0.000 0.005 0.000 3/24480 600.0 0.126 0.076 0.130 0.000 0.005 0.000 3/24480 610.0 0.124 0.075 0.128 0.000 0.005 0.000 3/24480 620.0 0.122 0.073 0.126 0.000 0.004 0.000 3/24480 630.0 0.121 0.072 0.124 0.000 0.004 0.000 3/24480 640.0 0.119 0.071 0.122 0.000 0.004 0.000 3/24480 650.0 0.117 0.070 0.120 0.000 0.004 0.000 3/24480 660.0 0.115 0.069 0.119 0.000 0.004 0.000 3/24480 670.0 0.114 0.068 0.117 0.000 0.004 0.000 3/24480 680.0 0.112 0.067 0.115 0.000 0.004 0.000 3/24480 690.0 0.111 0.066 0.114 0.000 0.004 0.000 3/24480 700.0 0.109 0.065 0.112 0.000 0.004 0.000 3/24480 710.0 0.108 0.064 0.111 0.000 0.004 0.000 3/24480 720.0 0.106 0.064 0.109 0.000 0.004 0.000 3/24480 730.0 0.105 0.063 0.108 0.000 0.004 0.000 3/24480 740.0 0.103 0.062 0.106 0.000 0.004 0.000 3/24480 750.0 0.102 0.061 0.105 0.000 0.004 0.000 3/24480 760.0 0.101 0.060 0.104 0.000 0.004 0.000 3/24480 770.0 0.100 0.060 0.102 0.000 0.004 0.000 3/24480 780.0 0.098 0.059 0.101 0.000 0.004 0.000 3/24480 790.0 0.097 0.058 0.100 0.000 0.004 0.000 3/24480 800.0 0.096 0.057 0.099 0.000 0.003 0.000 3/24480 810.0 0.095 0.057 0.097 0.000 0.003 0.000 3/24480 820.0 0.094 0.056 0.096 0.000 0.003 0.000 3/24480 830.0 0.093 0.055 0.095 0.000 0.003 0.000 3/24480 840.0 0.092 0.055 0.094 0.000 0.003 0.000 3/24480 850.0 0.091 0.054 0.093 0.000 0.003 0.000 3/24480 860.0 0.090 0.054 0.092 0.000 0.003 0.000 3/24480 870.0 0.089 0.053 0.091 0.000 0.003 0.000 3/24480 880.0 0.088 0.052 0.090 0.000 0.003 0.000 3/24480 890.0 0.087 0.052 0.089 0.000 0.003 0.000 3/24480 900.0 0.086 0.051 0.088 0.000 0.003 0.000 3/24480 910.0 0.085 0.051 0.087 0.000 0.003 0.000 3/24480 920.0 0.084 0.050 0.086 0.000 0.003 0.000 3/24480 930.0 0.083 0.050 0.085 0.000 0.003 0.000 3/24480 940.0 0.082 0.049 0.084 0.000 0.003 0.000 3/24480 950.0 0.081 0.049 0.083 0.000 0.003 0.000 3/24480 960.0 0.081 0.048 0.083 0.000 0.003 0.000 3/24480 970.0 0.080 0.048 0.082 0.000 0.003 0.000 3/24480 980.0 0.079 0.047 0.081 0.000 0.003 0.000 3/24480 990.0 0.078 0.047 0.080 0.000 0.003 0.000 3/24480 1000.0 0.077 0.046 0.079 0.000 0.003 0.000 3/24480 Thermal conductivity related properties were written into "kappa-m645.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:04:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|