----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:48:19]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.835287865299124 -5.459729594999999 0.000000000000000 b 2.835287865299124 5.459729594999999 0.000000000000000 c -0.232000784089033 0.000000000000000 12.217110811277553 Atomic positions (fractional): *1 N 0.14386115511088 0.32353139043701 0.04507466808941 14.007 2 N 0.67646860956299 0.85613884488912 0.45492533191059 14.007 3 N 0.85613884488912 0.67646860956299 0.95492533191059 14.007 4 N 0.32353139043701 0.14386115511088 0.54507466808941 14.007 *5 N 0.98110648488824 0.01889351511176 0.25000000000000 14.007 6 N 0.01889351511176 0.98110648488824 0.75000000000000 14.007 *7 N 0.43897942204691 0.56102057795309 0.25000000000000 14.007 *8 N 0.55077425029488 0.87150303383897 0.86725776919398 14.007 9 N 0.87150303383897 0.55077425029488 0.36725776919398 14.007 10 N 0.44922574970512 0.12849696616103 0.13274223080602 14.007 11 N 0.12849696616103 0.44922574970512 0.63274223080602 14.007 12 N 0.56102057795309 0.43897942204691 0.75000000000000 14.007 *13 V 0.25664858880985 0.25964132004764 0.66398798408418 50.941 14 V 0.74335141119015 0.74035867995236 0.33601201591582 50.941 15 V 0.74035867995236 0.74335141119015 0.83601201591582 50.941 16 V 0.25964132004764 0.25664858880985 0.16398798408418 50.941 *17 Sr 0.04579138091941 0.44269892368331 0.85314755748203 87.620 18 Sr 0.44269892368331 0.04579138091941 0.35314755748203 87.620 19 Sr 0.95420861908059 0.55730107631669 0.14685244251797 87.620 20 Sr 0.55730107631669 0.95420861908059 0.64685244251797 87.620 *21 Sr 0.13223034516270 0.35379786796938 0.42291503446184 87.620 22 Sr 0.64620213203062 0.86776965483730 0.07708496553816 87.620 23 Sr 0.86776965483730 0.64620213203062 0.57708496553816 87.620 24 Sr 0.35379786796938 0.13223034516270 0.92291503446184 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.670575730598248 0.000000000000000 0.000000000000000 b 0.000000000000000 10.919459189999998 0.000000000000000 c -0.232000784089033 0.000000000000000 12.217110811277553 Atomic positions (fractional): *1 N 0.23369627277395 0.08983511766306 0.04507466808941 14.007 > 1 2 N 0.76630372722605 0.08983511766306 0.45492533191059 14.007 > 2 3 N 0.26630372722605 0.41016488233694 0.95492533191059 14.007 > 3 4 N 0.73369627277395 0.41016488233694 0.54507466808941 14.007 > 4 *5 N 0.00000000000000 0.01889351511176 0.25000000000000 14.007 > 5 6 N 0.50000000000000 0.48110648488824 0.75000000000000 14.007 > 6 *7 N 0.50000000000000 0.06102057795309 0.25000000000000 14.007 > 7 *8 N 0.71113864206693 0.16036439177204 0.86725776919398 14.007 > 8 9 N 0.21113864206693 0.33963560822796 0.36725776919398 14.007 > 9 10 N 0.78886135793307 0.33963560822796 0.13274223080602 14.007 > 10 11 N 0.28886135793307 0.16036439177204 0.63274223080602 14.007 > 11 12 N 0.00000000000000 0.43897942204691 0.75000000000000 14.007 > 12 13 N 0.73369627277395 0.58983511766306 0.04507466808941 14.007 > 1 14 N 0.26630372722605 0.58983511766306 0.45492533191059 14.007 > 2 15 N 0.76630372722605 0.91016488233694 0.95492533191059 14.007 > 3 16 N 0.23369627277395 0.91016488233694 0.54507466808941 14.007 > 4 17 N 0.50000000000000 0.51889351511176 0.25000000000000 14.007 > 5 18 N 0.00000000000000 0.98110648488824 0.75000000000000 14.007 > 6 19 N 0.00000000000000 0.56102057795309 0.25000000000000 14.007 > 7 20 N 0.21113864206693 0.66036439177204 0.86725776919398 14.007 > 8 21 N 0.71113864206693 0.83963560822796 0.36725776919398 14.007 > 9 22 N 0.28886135793307 0.83963560822796 0.13274223080602 14.007 > 10 23 N 0.78886135793307 0.66036439177204 0.63274223080602 14.007 > 11 24 N 0.50000000000000 0.93897942204691 0.75000000000000 14.007 > 12 *25 V 0.25814495442875 0.00149636561890 0.66398798408418 50.941 > 13 26 V 0.24185504557126 0.49850363438110 0.33601201591582 50.941 > 14 27 V 0.74185504557126 0.00149636561890 0.83601201591582 50.941 > 15 28 V 0.75814495442874 0.49850363438110 0.16398798408418 50.941 > 16 29 V 0.75814495442874 0.50149636561890 0.66398798408418 50.941 > 13 30 V 0.74185504557126 0.99850363438110 0.33601201591582 50.941 > 14 31 V 0.24185504557126 0.50149636561890 0.83601201591582 50.941 > 15 32 V 0.25814495442875 0.99850363438110 0.16398798408418 50.941 > 16 *33 Sr 0.24424515230136 0.19845377138195 0.85314755748203 87.620 > 17 34 Sr 0.74424515230136 0.30154622861805 0.35314755748203 87.620 > 18 35 Sr 0.25575484769864 0.30154622861805 0.14685244251797 87.620 > 19 36 Sr 0.75575484769864 0.19845377138195 0.64685244251797 87.620 > 20 *37 Sr 0.24301410656604 0.11078376140334 0.42291503446184 87.620 > 21 38 Sr 0.75698589343396 0.11078376140334 0.07708496553816 87.620 > 22 39 Sr 0.25698589343396 0.38921623859666 0.57708496553816 87.620 > 23 40 Sr 0.74301410656604 0.38921623859666 0.92291503446184 87.620 > 24 41 Sr 0.74424515230136 0.69845377138195 0.85314755748203 87.620 > 17 42 Sr 0.24424515230136 0.80154622861805 0.35314755748203 87.620 > 18 43 Sr 0.75575484769864 0.80154622861805 0.14685244251797 87.620 > 19 44 Sr 0.25575484769864 0.69845377138195 0.64685244251797 87.620 > 20 45 Sr 0.74301410656604 0.61078376140334 0.42291503446184 87.620 > 21 46 Sr 0.25698589343396 0.61078376140334 0.07708496553816 87.620 > 22 47 Sr 0.75698589343396 0.88921623859666 0.57708496553816 87.620 > 23 48 Sr 0.24301410656604 0.88921623859666 0.92291503446184 87.620 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.341151461196496 0.000000000000000 0.000000000000000 b 0.000000000000000 10.919459189999998 0.000000000000000 c -0.232000784089033 0.000000000000000 12.217110811277553 Atomic positions (fractional): *1 N 0.11684813638697 0.08983511766306 0.04507466808941 14.007 > 1 2 N 0.61684813638697 0.08983511766306 0.04507466808941 14.007 > 1 3 N 0.38315186361303 0.08983511766306 0.45492533191059 14.007 > 2 4 N 0.88315186361303 0.08983511766306 0.45492533191059 14.007 > 2 5 N 0.13315186361303 0.41016488233694 0.95492533191059 14.007 > 3 6 N 0.63315186361303 0.41016488233694 0.95492533191059 14.007 > 3 7 N 0.36684813638697 0.41016488233694 0.54507466808941 14.007 > 4 8 N 0.86684813638697 0.41016488233694 0.54507466808941 14.007 > 4 *9 N 0.00000000000000 0.01889351511176 0.25000000000000 14.007 > 5 10 N 0.50000000000000 0.01889351511176 0.25000000000000 14.007 > 5 11 N 0.25000000000000 0.48110648488824 0.75000000000000 14.007 > 6 12 N 0.75000000000000 0.48110648488824 0.75000000000000 14.007 > 6 *13 N 0.25000000000000 0.06102057795309 0.25000000000000 14.007 > 7 14 N 0.75000000000000 0.06102057795309 0.25000000000000 14.007 > 7 *15 N 0.35556932103346 0.16036439177204 0.86725776919398 14.007 > 8 16 N 0.85556932103346 0.16036439177204 0.86725776919398 14.007 > 8 17 N 0.10556932103346 0.33963560822796 0.36725776919398 14.007 > 9 18 N 0.60556932103346 0.33963560822796 0.36725776919398 14.007 > 9 19 N 0.39443067896654 0.33963560822796 0.13274223080602 14.007 > 10 20 N 0.89443067896654 0.33963560822796 0.13274223080602 14.007 > 10 21 N 0.14443067896654 0.16036439177204 0.63274223080602 14.007 > 11 22 N 0.64443067896654 0.16036439177204 0.63274223080602 14.007 > 11 23 N 0.00000000000000 0.43897942204691 0.75000000000000 14.007 > 12 24 N 0.50000000000000 0.43897942204691 0.75000000000000 14.007 > 12 25 N 0.36684813638697 0.58983511766306 0.04507466808941 14.007 > 1 26 N 0.86684813638697 0.58983511766306 0.04507466808941 14.007 > 1 27 N 0.13315186361303 0.58983511766306 0.45492533191059 14.007 > 2 28 N 0.63315186361303 0.58983511766306 0.45492533191059 14.007 > 2 29 N 0.38315186361303 0.91016488233694 0.95492533191059 14.007 > 3 30 N 0.88315186361303 0.91016488233694 0.95492533191059 14.007 > 3 31 N 0.11684813638697 0.91016488233694 0.54507466808941 14.007 > 4 32 N 0.61684813638697 0.91016488233694 0.54507466808941 14.007 > 4 33 N 0.25000000000000 0.51889351511176 0.25000000000000 14.007 > 5 34 N 0.75000000000000 0.51889351511176 0.25000000000000 14.007 > 5 35 N 0.00000000000000 0.98110648488824 0.75000000000000 14.007 > 6 36 N 0.50000000000000 0.98110648488824 0.75000000000000 14.007 > 6 37 N 0.00000000000000 0.56102057795309 0.25000000000000 14.007 > 7 38 N 0.50000000000000 0.56102057795309 0.25000000000000 14.007 > 7 39 N 0.10556932103346 0.66036439177204 0.86725776919398 14.007 > 8 40 N 0.60556932103346 0.66036439177204 0.86725776919398 14.007 > 8 41 N 0.35556932103346 0.83963560822796 0.36725776919398 14.007 > 9 42 N 0.85556932103346 0.83963560822796 0.36725776919398 14.007 > 9 43 N 0.14443067896654 0.83963560822796 0.13274223080602 14.007 > 10 44 N 0.64443067896654 0.83963560822796 0.13274223080602 14.007 > 10 45 N 0.39443067896654 0.66036439177204 0.63274223080602 14.007 > 11 46 N 0.89443067896654 0.66036439177204 0.63274223080602 14.007 > 11 47 N 0.25000000000000 0.93897942204691 0.75000000000000 14.007 > 12 48 N 0.75000000000000 0.93897942204691 0.75000000000000 14.007 > 12 *49 V 0.12907247721437 0.00149636561890 0.66398798408418 50.941 > 13 50 V 0.62907247721437 0.00149636561890 0.66398798408418 50.941 > 13 51 V 0.12092752278563 0.49850363438110 0.33601201591582 50.941 > 14 52 V 0.62092752278563 0.49850363438110 0.33601201591582 50.941 > 14 53 V 0.37092752278563 0.00149636561890 0.83601201591582 50.941 > 15 54 V 0.87092752278563 0.00149636561890 0.83601201591582 50.941 > 15 55 V 0.37907247721437 0.49850363438110 0.16398798408418 50.941 > 16 56 V 0.87907247721437 0.49850363438110 0.16398798408418 50.941 > 16 57 V 0.37907247721437 0.50149636561890 0.66398798408418 50.941 > 13 58 V 0.87907247721437 0.50149636561890 0.66398798408418 50.941 > 13 59 V 0.37092752278563 0.99850363438110 0.33601201591582 50.941 > 14 60 V 0.87092752278563 0.99850363438110 0.33601201591582 50.941 > 14 61 V 0.12092752278563 0.50149636561890 0.83601201591582 50.941 > 15 62 V 0.62092752278563 0.50149636561890 0.83601201591582 50.941 > 15 63 V 0.12907247721437 0.99850363438110 0.16398798408418 50.941 > 16 64 V 0.62907247721437 0.99850363438110 0.16398798408418 50.941 > 16 *65 Sr 0.12212257615068 0.19845377138195 0.85314755748203 87.620 > 17 66 Sr 0.62212257615068 0.19845377138195 0.85314755748203 87.620 > 17 67 Sr 0.37212257615068 0.30154622861805 0.35314755748203 87.620 > 18 68 Sr 0.87212257615068 0.30154622861805 0.35314755748203 87.620 > 18 69 Sr 0.12787742384932 0.30154622861805 0.14685244251797 87.620 > 19 70 Sr 0.62787742384932 0.30154622861805 0.14685244251797 87.620 > 19 71 Sr 0.37787742384932 0.19845377138195 0.64685244251797 87.620 > 20 72 Sr 0.87787742384932 0.19845377138195 0.64685244251797 87.620 > 20 *73 Sr 0.12150705328302 0.11078376140334 0.42291503446184 87.620 > 21 74 Sr 0.62150705328302 0.11078376140334 0.42291503446184 87.620 > 21 75 Sr 0.37849294671698 0.11078376140334 0.07708496553816 87.620 > 22 76 Sr 0.87849294671698 0.11078376140334 0.07708496553816 87.620 > 22 77 Sr 0.12849294671698 0.38921623859666 0.57708496553816 87.620 > 23 78 Sr 0.62849294671698 0.38921623859666 0.57708496553816 87.620 > 23 79 Sr 0.37150705328302 0.38921623859666 0.92291503446184 87.620 > 24 80 Sr 0.87150705328302 0.38921623859666 0.92291503446184 87.620 > 24 81 Sr 0.37212257615068 0.69845377138195 0.85314755748203 87.620 > 17 82 Sr 0.87212257615068 0.69845377138195 0.85314755748203 87.620 > 17 83 Sr 0.12212257615068 0.80154622861805 0.35314755748203 87.620 > 18 84 Sr 0.62212257615068 0.80154622861805 0.35314755748203 87.620 > 18 85 Sr 0.37787742384932 0.80154622861805 0.14685244251797 87.620 > 19 86 Sr 0.87787742384932 0.80154622861805 0.14685244251797 87.620 > 19 87 Sr 0.12787742384932 0.69845377138195 0.64685244251797 87.620 > 20 88 Sr 0.62787742384932 0.69845377138195 0.64685244251797 87.620 > 20 89 Sr 0.37150705328302 0.61078376140334 0.42291503446184 87.620 > 21 90 Sr 0.87150705328302 0.61078376140334 0.42291503446184 87.620 > 21 91 Sr 0.12849294671698 0.61078376140334 0.07708496553816 87.620 > 22 92 Sr 0.62849294671698 0.61078376140334 0.07708496553816 87.620 > 22 93 Sr 0.37849294671698 0.88921623859666 0.57708496553816 87.620 > 23 94 Sr 0.87849294671698 0.88921623859666 0.57708496553816 87.620 > 23 95 Sr 0.12150705328302 0.88921623859666 0.92291503446184 87.620 > 24 96 Sr 0.62150705328302 0.88921623859666 0.92291503446184 87.620 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7251896 0.0000000 -0.1666961 0.0000000 6.2412757 0.0000000 -0.1666952 0.0000000 6.9784130 -------------------------- Born effective charges -------------------------- 1 N -2.0840353 0.0058808 0.0073276 0.1393188 -2.6947544 1.1276512 -0.1429604 1.2656018 -3.8534519 2 N -2.0840353 -0.0058808 0.0073276 -0.1393188 -2.6947544 -1.1276512 -0.1429604 -1.2656018 -3.8534519 3 N -2.0840353 0.0058808 0.0073276 0.1393188 -2.6947544 1.1276512 -0.1429604 1.2656018 -3.8534519 4 N -2.0840353 -0.0058808 0.0073276 -0.1393188 -2.6947544 -1.1276512 -0.1429604 -1.2656018 -3.8534519 5 N -5.6962275 0.0000000 2.6443364 0.0000000 -1.0911900 0.0000000 2.0808349 0.0000000 -2.9070312 6 N -5.6962275 0.0000000 2.6443364 0.0000000 -1.0911900 0.0000000 2.0808349 0.0000000 -2.9070312 7 N -4.9056464 0.0000000 -2.5161854 0.0000000 -1.5076794 0.0000000 -1.5677664 0.0000000 -2.7131883 8 N -1.9184203 0.3446171 0.1112132 0.1769185 -4.0142321 -0.5563690 0.0453494 -0.9188798 -2.0844734 9 N -1.9184203 -0.3446171 0.1112132 -0.1769185 -4.0142321 0.5563690 0.0453494 0.9188798 -2.0844734 10 N -1.9184203 0.3446171 0.1112132 0.1769185 -4.0142321 -0.5563690 0.0453494 -0.9188798 -2.0844734 11 N -1.9184203 -0.3446171 0.1112132 -0.1769185 -4.0142321 0.5563690 0.0453494 0.9188798 -2.0844734 12 N -4.9056464 0.0000000 -2.5161854 0.0000000 -1.5076794 0.0000000 -1.5677664 0.0000000 -2.7131883 13 V 4.7575483 -0.3551680 -0.1269161 0.0892455 2.9182961 0.3407186 -0.2017391 -0.3845381 3.5549190 14 V 4.7575483 -0.3551680 -0.1269161 0.0892455 2.9182961 0.3407186 -0.2017391 -0.3845381 3.5549190 15 V 4.7575483 0.3551680 -0.1269161 -0.0892455 2.9182961 -0.3407186 -0.2017391 0.3845381 3.5549190 16 V 4.7575483 0.3551680 -0.1269161 -0.0892455 2.9182961 -0.3407186 -0.2017391 0.3845381 3.5549190 17 Sr 2.4881094 -0.0118616 0.0724968 -0.0802497 2.8493679 0.2193266 -0.0029849 -0.1678689 2.5648212 18 Sr 2.4881094 0.0118616 0.0724968 0.0802497 2.8493679 -0.2193266 -0.0029849 0.1678689 2.5648212 19 Sr 2.4881094 -0.0118616 0.0724968 -0.0802497 2.8493679 0.2193266 -0.0029849 -0.1678689 2.5648212 20 Sr 2.4881094 0.0118616 0.0724968 0.0802497 2.8493679 -0.2193266 -0.0029849 0.1678689 2.5648212 21 Sr 2.0577348 0.0174791 -0.1281970 -0.0158115 2.2407572 -0.3398466 0.0458007 -0.3280557 2.6282949 22 Sr 2.0577348 -0.0174791 -0.1281970 0.0158115 2.2407572 0.3398466 0.0458007 0.3280557 2.6282949 23 Sr 2.0577348 0.0174791 -0.1281970 -0.0158115 2.2407572 -0.3398466 0.0458007 -0.3280557 2.6282949 24 Sr 2.0577348 -0.0174791 -0.1281970 0.0158115 2.2407572 0.3398466 0.0458007 0.3280557 2.6282949 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 12456/12456 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 241 eigenvectors found. (2) Block: 584 / 584 (2) 76 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 16), data: (568, 26) @ (26, 16) |-- (68, 62), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 16), data: (568, 26) @ (26, 16) |-- (68, 62), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 17), data: (584, 30) @ (30, 17) |-- (84, 76), data: True |-- (250, 241), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 720 - Time: 0.835 Solver_block: 200 / 720 - Time: 0.767 Solver_block: 300 / 720 - Time: 0.782 Solver_block: 400 / 720 - Time: 0.790 Solver_block: 500 / 720 - Time: 0.796 Solver_block: 600 / 720 - Time: 0.785 Solver_block: 700 / 720 - Time: 0.784 Solver_block: 720 / 720 - Time: 0.255 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.893 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zx) -0.00000000 (zx) Permutation basis: 288/288 Permutation basis: 12456/12456 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 241 eigenvectors found. (2) Block: 584 / 584 (2) 76 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 16), data: (568, 26) @ (26, 16) |-- (68, 62), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 16), data: (568, 26) @ (26, 16) |-- (68, 62), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 17), data: (584, 30) @ (30, 17) |-- (84, 76), data: True |-- (250, 241), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zx) -0.00000000 (zx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 02:48:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:48:55]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.835287865299124 -5.459729594999999 0.000000000000000 b 2.835287865299124 5.459729594999999 0.000000000000000 c -0.232000784089033 0.000000000000000 12.217110811277553 Atomic positions (fractional): 1 N 0.14386115511088 0.32353139043701 0.04507466808941 14.007 2 N 0.67646860956299 0.85613884488912 0.45492533191059 14.007 3 N 0.85613884488912 0.67646860956299 0.95492533191059 14.007 4 N 0.32353139043701 0.14386115511088 0.54507466808941 14.007 5 N 0.98110648488824 0.01889351511176 0.25000000000000 14.007 6 N 0.01889351511176 0.98110648488824 0.75000000000000 14.007 7 N 0.43897942204691 0.56102057795309 0.25000000000000 14.007 8 N 0.55077425029488 0.87150303383897 0.86725776919398 14.007 9 N 0.87150303383897 0.55077425029488 0.36725776919398 14.007 10 N 0.44922574970512 0.12849696616103 0.13274223080602 14.007 11 N 0.12849696616103 0.44922574970512 0.63274223080602 14.007 12 N 0.56102057795309 0.43897942204691 0.75000000000000 14.007 13 V 0.25664858880985 0.25964132004764 0.66398798408418 50.941 14 V 0.74335141119015 0.74035867995236 0.33601201591582 50.941 15 V 0.74035867995236 0.74335141119015 0.83601201591582 50.941 16 V 0.25964132004764 0.25664858880985 0.16398798408418 50.941 17 Sr 0.04579138091941 0.44269892368331 0.85314755748203 87.620 18 Sr 0.44269892368331 0.04579138091941 0.35314755748203 87.620 19 Sr 0.95420861908059 0.55730107631669 0.14685244251797 87.620 20 Sr 0.55730107631669 0.95420861908059 0.64685244251797 87.620 21 Sr 0.13223034516270 0.35379786796938 0.42291503446184 87.620 22 Sr 0.64620213203062 0.86776965483730 0.07708496553816 87.620 23 Sr 0.86776965483730 0.64620213203062 0.57708496553816 87.620 24 Sr 0.35379786796938 0.13223034516270 0.92291503446184 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.341151461196496 0.000000000000000 0.000000000000000 b 0.000000000000000 10.919459189999998 0.000000000000000 c -0.232000784089033 0.000000000000000 12.217110811277553 Atomic positions (fractional): 1 N 0.11684813638697 0.08983511766306 0.04507466808941 14.007 > 1 2 N 0.61684813638697 0.08983511766306 0.04507466808941 14.007 > 1 3 N 0.38315186361303 0.08983511766306 0.45492533191059 14.007 > 3 4 N 0.88315186361303 0.08983511766306 0.45492533191059 14.007 > 3 5 N 0.13315186361303 0.41016488233694 0.95492533191059 14.007 > 5 6 N 0.63315186361303 0.41016488233694 0.95492533191059 14.007 > 5 7 N 0.36684813638697 0.41016488233694 0.54507466808941 14.007 > 7 8 N 0.86684813638697 0.41016488233694 0.54507466808941 14.007 > 7 9 N 0.00000000000000 0.01889351511176 0.25000000000000 14.007 > 9 10 N 0.50000000000000 0.01889351511176 0.25000000000000 14.007 > 9 11 N 0.25000000000000 0.48110648488824 0.75000000000000 14.007 > 11 12 N 0.75000000000000 0.48110648488824 0.75000000000000 14.007 > 11 13 N 0.25000000000000 0.06102057795309 0.25000000000000 14.007 > 13 14 N 0.75000000000000 0.06102057795309 0.25000000000000 14.007 > 13 15 N 0.35556932103346 0.16036439177204 0.86725776919398 14.007 > 15 16 N 0.85556932103346 0.16036439177204 0.86725776919398 14.007 > 15 17 N 0.10556932103346 0.33963560822796 0.36725776919398 14.007 > 17 18 N 0.60556932103346 0.33963560822796 0.36725776919398 14.007 > 17 19 N 0.39443067896654 0.33963560822796 0.13274223080602 14.007 > 19 20 N 0.89443067896654 0.33963560822796 0.13274223080602 14.007 > 19 21 N 0.14443067896654 0.16036439177204 0.63274223080602 14.007 > 21 22 N 0.64443067896654 0.16036439177204 0.63274223080602 14.007 > 21 23 N 0.00000000000000 0.43897942204691 0.75000000000000 14.007 > 23 24 N 0.50000000000000 0.43897942204691 0.75000000000000 14.007 > 23 25 N 0.36684813638697 0.58983511766306 0.04507466808941 14.007 > 1 26 N 0.86684813638697 0.58983511766306 0.04507466808941 14.007 > 1 27 N 0.13315186361303 0.58983511766306 0.45492533191059 14.007 > 3 28 N 0.63315186361303 0.58983511766306 0.45492533191059 14.007 > 3 29 N 0.38315186361303 0.91016488233694 0.95492533191059 14.007 > 5 30 N 0.88315186361303 0.91016488233694 0.95492533191059 14.007 > 5 31 N 0.11684813638697 0.91016488233694 0.54507466808941 14.007 > 7 32 N 0.61684813638697 0.91016488233694 0.54507466808941 14.007 > 7 33 N 0.25000000000000 0.51889351511176 0.25000000000000 14.007 > 9 34 N 0.75000000000000 0.51889351511176 0.25000000000000 14.007 > 9 35 N 0.00000000000000 0.98110648488824 0.75000000000000 14.007 > 11 36 N 0.50000000000000 0.98110648488824 0.75000000000000 14.007 > 11 37 N 0.00000000000000 0.56102057795309 0.25000000000000 14.007 > 13 38 N 0.50000000000000 0.56102057795309 0.25000000000000 14.007 > 13 39 N 0.10556932103346 0.66036439177204 0.86725776919398 14.007 > 15 40 N 0.60556932103346 0.66036439177204 0.86725776919398 14.007 > 15 41 N 0.35556932103346 0.83963560822796 0.36725776919398 14.007 > 17 42 N 0.85556932103346 0.83963560822796 0.36725776919398 14.007 > 17 43 N 0.14443067896654 0.83963560822796 0.13274223080602 14.007 > 19 44 N 0.64443067896654 0.83963560822796 0.13274223080602 14.007 > 19 45 N 0.39443067896654 0.66036439177204 0.63274223080602 14.007 > 21 46 N 0.89443067896654 0.66036439177204 0.63274223080602 14.007 > 21 47 N 0.25000000000000 0.93897942204691 0.75000000000000 14.007 > 23 48 N 0.75000000000000 0.93897942204691 0.75000000000000 14.007 > 23 49 V 0.12907247721437 0.00149636561890 0.66398798408418 50.941 > 49 50 V 0.62907247721437 0.00149636561890 0.66398798408418 50.941 > 49 51 V 0.12092752278563 0.49850363438110 0.33601201591582 50.941 > 51 52 V 0.62092752278563 0.49850363438110 0.33601201591582 50.941 > 51 53 V 0.37092752278563 0.00149636561890 0.83601201591582 50.941 > 53 54 V 0.87092752278563 0.00149636561890 0.83601201591582 50.941 > 53 55 V 0.37907247721437 0.49850363438110 0.16398798408418 50.941 > 55 56 V 0.87907247721437 0.49850363438110 0.16398798408418 50.941 > 55 57 V 0.37907247721437 0.50149636561890 0.66398798408418 50.941 > 49 58 V 0.87907247721437 0.50149636561890 0.66398798408418 50.941 > 49 59 V 0.37092752278563 0.99850363438110 0.33601201591582 50.941 > 51 60 V 0.87092752278563 0.99850363438110 0.33601201591582 50.941 > 51 61 V 0.12092752278563 0.50149636561890 0.83601201591582 50.941 > 53 62 V 0.62092752278563 0.50149636561890 0.83601201591582 50.941 > 53 63 V 0.12907247721437 0.99850363438110 0.16398798408418 50.941 > 55 64 V 0.62907247721437 0.99850363438110 0.16398798408418 50.941 > 55 65 Sr 0.12212257615068 0.19845377138195 0.85314755748203 87.620 > 65 66 Sr 0.62212257615068 0.19845377138195 0.85314755748203 87.620 > 65 67 Sr 0.37212257615068 0.30154622861805 0.35314755748203 87.620 > 67 68 Sr 0.87212257615068 0.30154622861805 0.35314755748203 87.620 > 67 69 Sr 0.12787742384932 0.30154622861805 0.14685244251797 87.620 > 69 70 Sr 0.62787742384932 0.30154622861805 0.14685244251797 87.620 > 69 71 Sr 0.37787742384932 0.19845377138195 0.64685244251797 87.620 > 71 72 Sr 0.87787742384932 0.19845377138195 0.64685244251797 87.620 > 71 73 Sr 0.12150705328302 0.11078376140334 0.42291503446184 87.620 > 73 74 Sr 0.62150705328302 0.11078376140334 0.42291503446184 87.620 > 73 75 Sr 0.37849294671698 0.11078376140334 0.07708496553816 87.620 > 75 76 Sr 0.87849294671698 0.11078376140334 0.07708496553816 87.620 > 75 77 Sr 0.12849294671698 0.38921623859666 0.57708496553816 87.620 > 77 78 Sr 0.62849294671698 0.38921623859666 0.57708496553816 87.620 > 77 79 Sr 0.37150705328302 0.38921623859666 0.92291503446184 87.620 > 79 80 Sr 0.87150705328302 0.38921623859666 0.92291503446184 87.620 > 79 81 Sr 0.37212257615068 0.69845377138195 0.85314755748203 87.620 > 65 82 Sr 0.87212257615068 0.69845377138195 0.85314755748203 87.620 > 65 83 Sr 0.12212257615068 0.80154622861805 0.35314755748203 87.620 > 67 84 Sr 0.62212257615068 0.80154622861805 0.35314755748203 87.620 > 67 85 Sr 0.37787742384932 0.80154622861805 0.14685244251797 87.620 > 69 86 Sr 0.87787742384932 0.80154622861805 0.14685244251797 87.620 > 69 87 Sr 0.12787742384932 0.69845377138195 0.64685244251797 87.620 > 71 88 Sr 0.62787742384932 0.69845377138195 0.64685244251797 87.620 > 71 89 Sr 0.37150705328302 0.61078376140334 0.42291503446184 87.620 > 73 90 Sr 0.87150705328302 0.61078376140334 0.42291503446184 87.620 > 73 91 Sr 0.12849294671698 0.61078376140334 0.07708496553816 87.620 > 75 92 Sr 0.62849294671698 0.61078376140334 0.07708496553816 87.620 > 75 93 Sr 0.37849294671698 0.88921623859666 0.57708496553816 87.620 > 77 94 Sr 0.87849294671698 0.88921623859666 0.57708496553816 87.620 > 77 95 Sr 0.12150705328302 0.88921623859666 0.92291503446184 87.620 > 79 96 Sr 0.62150705328302 0.88921623859666 0.92291503446184 87.620 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7251896 0.0000000 -0.1666961 0.0000000 6.2412757 0.0000000 -0.1666952 0.0000000 6.9784130 -------------------------- Born effective charges -------------------------- 1 N -2.0840353 0.0058808 0.0073276 0.1393188 -2.6947544 1.1276512 -0.1429604 1.2656018 -3.8534519 2 N -2.0840353 -0.0058808 0.0073276 -0.1393188 -2.6947544 -1.1276512 -0.1429604 -1.2656018 -3.8534519 3 N -2.0840353 0.0058808 0.0073276 0.1393188 -2.6947544 1.1276512 -0.1429604 1.2656018 -3.8534519 4 N -2.0840353 -0.0058808 0.0073276 -0.1393188 -2.6947544 -1.1276512 -0.1429604 -1.2656018 -3.8534519 5 N -5.6962275 0.0000000 2.6443364 0.0000000 -1.0911900 0.0000000 2.0808349 0.0000000 -2.9070312 6 N -5.6962275 0.0000000 2.6443364 0.0000000 -1.0911900 0.0000000 2.0808349 0.0000000 -2.9070312 7 N -4.9056464 0.0000000 -2.5161854 0.0000000 -1.5076794 0.0000000 -1.5677664 0.0000000 -2.7131883 8 N -1.9184203 0.3446171 0.1112132 0.1769185 -4.0142321 -0.5563690 0.0453494 -0.9188798 -2.0844734 9 N -1.9184203 -0.3446171 0.1112132 -0.1769185 -4.0142321 0.5563690 0.0453494 0.9188798 -2.0844734 10 N -1.9184203 0.3446171 0.1112132 0.1769185 -4.0142321 -0.5563690 0.0453494 -0.9188798 -2.0844734 11 N -1.9184203 -0.3446171 0.1112132 -0.1769185 -4.0142321 0.5563690 0.0453494 0.9188798 -2.0844734 12 N -4.9056464 0.0000000 -2.5161854 0.0000000 -1.5076794 0.0000000 -1.5677664 0.0000000 -2.7131883 13 V 4.7575483 -0.3551680 -0.1269161 0.0892455 2.9182961 0.3407186 -0.2017391 -0.3845381 3.5549190 14 V 4.7575483 -0.3551680 -0.1269161 0.0892455 2.9182961 0.3407186 -0.2017391 -0.3845381 3.5549190 15 V 4.7575483 0.3551680 -0.1269161 -0.0892455 2.9182961 -0.3407186 -0.2017391 0.3845381 3.5549190 16 V 4.7575483 0.3551680 -0.1269161 -0.0892455 2.9182961 -0.3407186 -0.2017391 0.3845381 3.5549190 17 Sr 2.4881094 -0.0118616 0.0724968 -0.0802497 2.8493679 0.2193266 -0.0029849 -0.1678689 2.5648212 18 Sr 2.4881094 0.0118616 0.0724968 0.0802497 2.8493679 -0.2193266 -0.0029849 0.1678689 2.5648212 19 Sr 2.4881094 -0.0118616 0.0724968 -0.0802497 2.8493679 0.2193266 -0.0029849 -0.1678689 2.5648212 20 Sr 2.4881094 0.0118616 0.0724968 0.0802497 2.8493679 -0.2193266 -0.0029849 0.1678689 2.5648212 21 Sr 2.0577348 0.0174791 -0.1281970 -0.0158115 2.2407572 -0.3398466 0.0458007 -0.3280557 2.6282949 22 Sr 2.0577348 -0.0174791 -0.1281970 0.0158115 2.2407572 0.3398466 0.0458007 0.3280557 2.6282949 23 Sr 2.0577348 0.0174791 -0.1281970 -0.0158115 2.2407572 -0.3398466 0.0458007 -0.3280557 2.6282949 24 Sr 2.0577348 -0.0174791 -0.1281970 0.0158115 2.2407572 0.3398466 0.0458007 0.3280557 2.6282949 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 15, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:49:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:49:22]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.835287865299124 -5.459729594999999 0.000000000000000 b 2.835287865299124 5.459729594999999 0.000000000000000 c -0.232000784089033 0.000000000000000 12.217110811277553 Atomic positions (fractional): 1 N 0.14386115511088 0.32353139043701 0.04507466808941 14.007 2 N 0.67646860956299 0.85613884488912 0.45492533191059 14.007 3 N 0.85613884488912 0.67646860956299 0.95492533191059 14.007 4 N 0.32353139043701 0.14386115511088 0.54507466808941 14.007 5 N 0.98110648488824 0.01889351511176 0.25000000000000 14.007 6 N 0.01889351511176 0.98110648488824 0.75000000000000 14.007 7 N 0.43897942204691 0.56102057795309 0.25000000000000 14.007 8 N 0.55077425029488 0.87150303383897 0.86725776919398 14.007 9 N 0.87150303383897 0.55077425029488 0.36725776919398 14.007 10 N 0.44922574970512 0.12849696616103 0.13274223080602 14.007 11 N 0.12849696616103 0.44922574970512 0.63274223080602 14.007 12 N 0.56102057795309 0.43897942204691 0.75000000000000 14.007 13 V 0.25664858880985 0.25964132004764 0.66398798408418 50.941 14 V 0.74335141119015 0.74035867995236 0.33601201591582 50.941 15 V 0.74035867995236 0.74335141119015 0.83601201591582 50.941 16 V 0.25964132004764 0.25664858880985 0.16398798408418 50.941 17 Sr 0.04579138091941 0.44269892368331 0.85314755748203 87.620 18 Sr 0.44269892368331 0.04579138091941 0.35314755748203 87.620 19 Sr 0.95420861908059 0.55730107631669 0.14685244251797 87.620 20 Sr 0.55730107631669 0.95420861908059 0.64685244251797 87.620 21 Sr 0.13223034516270 0.35379786796938 0.42291503446184 87.620 22 Sr 0.64620213203062 0.86776965483730 0.07708496553816 87.620 23 Sr 0.86776965483730 0.64620213203062 0.57708496553816 87.620 24 Sr 0.35379786796938 0.13223034516270 0.92291503446184 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.341151461196496 0.000000000000000 0.000000000000000 b 0.000000000000000 10.919459189999998 0.000000000000000 c -0.232000784089033 0.000000000000000 12.217110811277553 Atomic positions (fractional): 1 N 0.11684813638697 0.08983511766306 0.04507466808941 14.007 > 1 2 N 0.61684813638697 0.08983511766306 0.04507466808941 14.007 > 1 3 N 0.38315186361303 0.08983511766306 0.45492533191059 14.007 > 3 4 N 0.88315186361303 0.08983511766306 0.45492533191059 14.007 > 3 5 N 0.13315186361303 0.41016488233694 0.95492533191059 14.007 > 5 6 N 0.63315186361303 0.41016488233694 0.95492533191059 14.007 > 5 7 N 0.36684813638697 0.41016488233694 0.54507466808941 14.007 > 7 8 N 0.86684813638697 0.41016488233694 0.54507466808941 14.007 > 7 9 N 0.00000000000000 0.01889351511176 0.25000000000000 14.007 > 9 10 N 0.50000000000000 0.01889351511176 0.25000000000000 14.007 > 9 11 N 0.25000000000000 0.48110648488824 0.75000000000000 14.007 > 11 12 N 0.75000000000000 0.48110648488824 0.75000000000000 14.007 > 11 13 N 0.25000000000000 0.06102057795309 0.25000000000000 14.007 > 13 14 N 0.75000000000000 0.06102057795309 0.25000000000000 14.007 > 13 15 N 0.35556932103346 0.16036439177204 0.86725776919398 14.007 > 15 16 N 0.85556932103346 0.16036439177204 0.86725776919398 14.007 > 15 17 N 0.10556932103346 0.33963560822796 0.36725776919398 14.007 > 17 18 N 0.60556932103346 0.33963560822796 0.36725776919398 14.007 > 17 19 N 0.39443067896654 0.33963560822796 0.13274223080602 14.007 > 19 20 N 0.89443067896654 0.33963560822796 0.13274223080602 14.007 > 19 21 N 0.14443067896654 0.16036439177204 0.63274223080602 14.007 > 21 22 N 0.64443067896654 0.16036439177204 0.63274223080602 14.007 > 21 23 N 0.00000000000000 0.43897942204691 0.75000000000000 14.007 > 23 24 N 0.50000000000000 0.43897942204691 0.75000000000000 14.007 > 23 25 N 0.36684813638697 0.58983511766306 0.04507466808941 14.007 > 1 26 N 0.86684813638697 0.58983511766306 0.04507466808941 14.007 > 1 27 N 0.13315186361303 0.58983511766306 0.45492533191059 14.007 > 3 28 N 0.63315186361303 0.58983511766306 0.45492533191059 14.007 > 3 29 N 0.38315186361303 0.91016488233694 0.95492533191059 14.007 > 5 30 N 0.88315186361303 0.91016488233694 0.95492533191059 14.007 > 5 31 N 0.11684813638697 0.91016488233694 0.54507466808941 14.007 > 7 32 N 0.61684813638697 0.91016488233694 0.54507466808941 14.007 > 7 33 N 0.25000000000000 0.51889351511176 0.25000000000000 14.007 > 9 34 N 0.75000000000000 0.51889351511176 0.25000000000000 14.007 > 9 35 N 0.00000000000000 0.98110648488824 0.75000000000000 14.007 > 11 36 N 0.50000000000000 0.98110648488824 0.75000000000000 14.007 > 11 37 N 0.00000000000000 0.56102057795309 0.25000000000000 14.007 > 13 38 N 0.50000000000000 0.56102057795309 0.25000000000000 14.007 > 13 39 N 0.10556932103346 0.66036439177204 0.86725776919398 14.007 > 15 40 N 0.60556932103346 0.66036439177204 0.86725776919398 14.007 > 15 41 N 0.35556932103346 0.83963560822796 0.36725776919398 14.007 > 17 42 N 0.85556932103346 0.83963560822796 0.36725776919398 14.007 > 17 43 N 0.14443067896654 0.83963560822796 0.13274223080602 14.007 > 19 44 N 0.64443067896654 0.83963560822796 0.13274223080602 14.007 > 19 45 N 0.39443067896654 0.66036439177204 0.63274223080602 14.007 > 21 46 N 0.89443067896654 0.66036439177204 0.63274223080602 14.007 > 21 47 N 0.25000000000000 0.93897942204691 0.75000000000000 14.007 > 23 48 N 0.75000000000000 0.93897942204691 0.75000000000000 14.007 > 23 49 V 0.12907247721437 0.00149636561890 0.66398798408418 50.941 > 49 50 V 0.62907247721437 0.00149636561890 0.66398798408418 50.941 > 49 51 V 0.12092752278563 0.49850363438110 0.33601201591582 50.941 > 51 52 V 0.62092752278563 0.49850363438110 0.33601201591582 50.941 > 51 53 V 0.37092752278563 0.00149636561890 0.83601201591582 50.941 > 53 54 V 0.87092752278563 0.00149636561890 0.83601201591582 50.941 > 53 55 V 0.37907247721437 0.49850363438110 0.16398798408418 50.941 > 55 56 V 0.87907247721437 0.49850363438110 0.16398798408418 50.941 > 55 57 V 0.37907247721437 0.50149636561890 0.66398798408418 50.941 > 49 58 V 0.87907247721437 0.50149636561890 0.66398798408418 50.941 > 49 59 V 0.37092752278563 0.99850363438110 0.33601201591582 50.941 > 51 60 V 0.87092752278563 0.99850363438110 0.33601201591582 50.941 > 51 61 V 0.12092752278563 0.50149636561890 0.83601201591582 50.941 > 53 62 V 0.62092752278563 0.50149636561890 0.83601201591582 50.941 > 53 63 V 0.12907247721437 0.99850363438110 0.16398798408418 50.941 > 55 64 V 0.62907247721437 0.99850363438110 0.16398798408418 50.941 > 55 65 Sr 0.12212257615068 0.19845377138195 0.85314755748203 87.620 > 65 66 Sr 0.62212257615068 0.19845377138195 0.85314755748203 87.620 > 65 67 Sr 0.37212257615068 0.30154622861805 0.35314755748203 87.620 > 67 68 Sr 0.87212257615068 0.30154622861805 0.35314755748203 87.620 > 67 69 Sr 0.12787742384932 0.30154622861805 0.14685244251797 87.620 > 69 70 Sr 0.62787742384932 0.30154622861805 0.14685244251797 87.620 > 69 71 Sr 0.37787742384932 0.19845377138195 0.64685244251797 87.620 > 71 72 Sr 0.87787742384932 0.19845377138195 0.64685244251797 87.620 > 71 73 Sr 0.12150705328302 0.11078376140334 0.42291503446184 87.620 > 73 74 Sr 0.62150705328302 0.11078376140334 0.42291503446184 87.620 > 73 75 Sr 0.37849294671698 0.11078376140334 0.07708496553816 87.620 > 75 76 Sr 0.87849294671698 0.11078376140334 0.07708496553816 87.620 > 75 77 Sr 0.12849294671698 0.38921623859666 0.57708496553816 87.620 > 77 78 Sr 0.62849294671698 0.38921623859666 0.57708496553816 87.620 > 77 79 Sr 0.37150705328302 0.38921623859666 0.92291503446184 87.620 > 79 80 Sr 0.87150705328302 0.38921623859666 0.92291503446184 87.620 > 79 81 Sr 0.37212257615068 0.69845377138195 0.85314755748203 87.620 > 65 82 Sr 0.87212257615068 0.69845377138195 0.85314755748203 87.620 > 65 83 Sr 0.12212257615068 0.80154622861805 0.35314755748203 87.620 > 67 84 Sr 0.62212257615068 0.80154622861805 0.35314755748203 87.620 > 67 85 Sr 0.37787742384932 0.80154622861805 0.14685244251797 87.620 > 69 86 Sr 0.87787742384932 0.80154622861805 0.14685244251797 87.620 > 69 87 Sr 0.12787742384932 0.69845377138195 0.64685244251797 87.620 > 71 88 Sr 0.62787742384932 0.69845377138195 0.64685244251797 87.620 > 71 89 Sr 0.37150705328302 0.61078376140334 0.42291503446184 87.620 > 73 90 Sr 0.87150705328302 0.61078376140334 0.42291503446184 87.620 > 73 91 Sr 0.12849294671698 0.61078376140334 0.07708496553816 87.620 > 75 92 Sr 0.62849294671698 0.61078376140334 0.07708496553816 87.620 > 75 93 Sr 0.37849294671698 0.88921623859666 0.57708496553816 87.620 > 77 94 Sr 0.87849294671698 0.88921623859666 0.57708496553816 87.620 > 77 95 Sr 0.12150705328302 0.88921623859666 0.92291503446184 87.620 > 79 96 Sr 0.62150705328302 0.88921623859666 0.92291503446184 87.620 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.7251896 0.0000000 -0.1666961 0.0000000 6.2412757 0.0000000 -0.1666952 0.0000000 6.9784130 -------------------------- Born effective charges -------------------------- 1 N -2.0840353 0.0058808 0.0073276 0.1393188 -2.6947544 1.1276512 -0.1429604 1.2656018 -3.8534519 2 N -2.0840353 -0.0058808 0.0073276 -0.1393188 -2.6947544 -1.1276512 -0.1429604 -1.2656018 -3.8534519 3 N -2.0840353 0.0058808 0.0073276 0.1393188 -2.6947544 1.1276512 -0.1429604 1.2656018 -3.8534519 4 N -2.0840353 -0.0058808 0.0073276 -0.1393188 -2.6947544 -1.1276512 -0.1429604 -1.2656018 -3.8534519 5 N -5.6962275 0.0000000 2.6443364 0.0000000 -1.0911900 0.0000000 2.0808349 0.0000000 -2.9070312 6 N -5.6962275 0.0000000 2.6443364 0.0000000 -1.0911900 0.0000000 2.0808349 0.0000000 -2.9070312 7 N -4.9056464 0.0000000 -2.5161854 0.0000000 -1.5076794 0.0000000 -1.5677664 0.0000000 -2.7131883 8 N -1.9184203 0.3446171 0.1112132 0.1769185 -4.0142321 -0.5563690 0.0453494 -0.9188798 -2.0844734 9 N -1.9184203 -0.3446171 0.1112132 -0.1769185 -4.0142321 0.5563690 0.0453494 0.9188798 -2.0844734 10 N -1.9184203 0.3446171 0.1112132 0.1769185 -4.0142321 -0.5563690 0.0453494 -0.9188798 -2.0844734 11 N -1.9184203 -0.3446171 0.1112132 -0.1769185 -4.0142321 0.5563690 0.0453494 0.9188798 -2.0844734 12 N -4.9056464 0.0000000 -2.5161854 0.0000000 -1.5076794 0.0000000 -1.5677664 0.0000000 -2.7131883 13 V 4.7575483 -0.3551680 -0.1269161 0.0892455 2.9182961 0.3407186 -0.2017391 -0.3845381 3.5549190 14 V 4.7575483 -0.3551680 -0.1269161 0.0892455 2.9182961 0.3407186 -0.2017391 -0.3845381 3.5549190 15 V 4.7575483 0.3551680 -0.1269161 -0.0892455 2.9182961 -0.3407186 -0.2017391 0.3845381 3.5549190 16 V 4.7575483 0.3551680 -0.1269161 -0.0892455 2.9182961 -0.3407186 -0.2017391 0.3845381 3.5549190 17 Sr 2.4881094 -0.0118616 0.0724968 -0.0802497 2.8493679 0.2193266 -0.0029849 -0.1678689 2.5648212 18 Sr 2.4881094 0.0118616 0.0724968 0.0802497 2.8493679 -0.2193266 -0.0029849 0.1678689 2.5648212 19 Sr 2.4881094 -0.0118616 0.0724968 -0.0802497 2.8493679 0.2193266 -0.0029849 -0.1678689 2.5648212 20 Sr 2.4881094 0.0118616 0.0724968 0.0802497 2.8493679 -0.2193266 -0.0029849 0.1678689 2.5648212 21 Sr 2.0577348 0.0174791 -0.1281970 -0.0158115 2.2407572 -0.3398466 0.0458007 -0.3280557 2.6282949 22 Sr 2.0577348 -0.0174791 -0.1281970 0.0158115 2.2407572 0.3398466 0.0458007 0.3280557 2.6282949 23 Sr 2.0577348 0.0174791 -0.1281970 -0.0158115 2.2407572 -0.3398466 0.0458007 -0.3280557 2.6282949 24 Sr 2.0577348 -0.0174791 -0.1281970 0.0158115 2.2407572 0.3398466 0.0458007 0.3280557 2.6282949 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) --------------------------- 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 ... [ 10 10 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 307, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/117) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.865 ( 0.000 0.000 0.000) 0.000 1.915 ( 0.000 0.000 0.000) 0.000 2.124 ( 0.000 0.000 0.000) 0.000 2.298 ( 0.000 0.000 0.000) 0.000 2.810 ( 0.000 0.000 0.000) 0.000 2.820 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.218 ( 0.000 0.000 0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.609 ( 0.000 0.000 0.000) 0.000 3.729 ( 0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 0.000) 0.000 4.021 ( 0.000 0.000 0.000) 0.000 4.158 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.278 ( 0.000 0.000 0.000) 0.000 4.506 ( 0.000 0.000 0.000) 0.000 4.735 ( 0.000 0.000 0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 4.900 ( 0.000 0.000 0.000) 0.000 5.012 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.082 ( 0.000 0.000 0.000) 0.000 5.530 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 6.170 ( 0.000 0.000 0.000) 0.000 6.499 ( 0.000 0.000 0.000) 0.000 6.695 ( 0.000 0.000 0.000) 0.000 6.836 ( 0.000 0.000 0.000) 0.000 7.022 ( 0.000 0.000 0.000) 0.000 7.078 ( 0.000 0.000 0.000) 0.000 7.592 ( 0.000 0.000 0.000) 0.000 7.819 ( 0.000 0.000 0.000) 0.000 7.982 ( 0.000 0.000 0.000) 0.000 8.209 ( 0.000 0.000 0.000) 0.000 8.533 ( 0.000 0.000 0.000) 0.000 8.657 ( 0.000 0.000 0.000) 0.000 9.991 ( 0.000 0.000 0.000) 0.000 10.117 ( 0.000 0.000 0.000) 0.000 10.322 ( 0.000 0.000 0.000) 0.000 10.416 ( 0.000 0.000 0.000) 0.000 10.994 ( 0.000 0.000 0.000) 0.000 11.145 ( 0.000 0.000 0.000) 0.000 11.325 ( 0.000 0.000 0.000) 0.000 11.677 ( 0.000 0.000 0.000) 0.000 11.688 ( 0.000 0.000 0.000) 0.000 12.159 ( 0.000 0.000 0.000) 0.000 12.218 ( 0.000 0.000 0.000) 0.000 12.413 ( 0.000 0.000 0.000) 0.000 13.247 ( 0.000 0.000 0.000) 0.000 13.524 ( 0.000 0.000 0.000) 0.000 14.403 ( 0.000 0.000 0.000) 0.000 14.448 ( 0.000 0.000 0.000) 0.000 15.964 ( 0.000 0.000 0.000) 0.000 16.018 ( 0.000 0.000 0.000) 0.000 21.723 ( 0.000 0.000 0.000) 0.000 21.811 ( 0.000 0.000 0.000) 0.000 22.044 ( 0.000 0.000 0.000) 0.000 22.050 ( 0.000 0.000 0.000) 0.000 22.323 ( 0.000 0.000 0.000) 0.000 22.711 ( 0.000 0.000 0.000) 0.000 22.717 ( 0.000 0.000 0.000) 0.000 24.539 ( 0.000 0.000 0.000) 0.000 24.917 ( 0.000 0.000 0.000) 0.000 25.297 ( 0.000 0.000 0.000) 0.000 27.976 ( 0.000 0.000 0.000) 0.000 28.412 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/117) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 21.755 -19.328 4.866) 29.505 0.658 ( 23.663 -26.139 -5.558) 35.694 1.067 ( 48.896 -13.113 -2.714) 50.696 1.846 ( -5.129 -4.161 -8.413) 10.696 2.064 ( 3.013 -0.159 2.504) 3.921 2.160 ( 13.611 -8.369 3.387) 16.333 2.395 ( 5.278 -7.885 8.364) 12.648 2.889 ( 6.486 -2.269 -5.593) 8.860 2.894 ( 8.779 0.469 -1.652) 8.945 3.192 ( -1.128 2.764 -0.002) 2.985 3.236 ( 0.564 1.539 2.262) 2.794 3.311 ( 6.991 6.572 1.111) 9.659 3.551 ( -0.257 3.919 0.191) 3.932 3.645 ( 1.960 -4.339 1.036) 4.873 3.794 ( 1.542 0.346 -1.576) 2.232 3.830 ( -2.936 -1.850 -1.476) 3.771 4.017 ( -2.577 -3.047 0.367) 4.008 4.146 ( -0.853 0.235 -0.723) 1.142 4.294 ( 2.157 0.354 0.679) 2.289 4.447 ( -4.032 2.705 -1.971) 5.240 4.656 ( -7.516 -0.756 4.091) 8.590 4.706 ( -1.349 4.006 -0.043) 4.228 4.789 ( 1.453 7.109 1.271) 7.366 4.817 ( -3.859 3.510 -0.322) 5.227 5.039 ( 3.298 0.076 3.322) 4.682 5.086 ( 4.935 -0.747 -6.361) 8.086 5.154 ( 11.054 6.335 0.618) 12.755 5.273 ( 25.250 24.033 -0.130) 34.860 5.857 ( -2.459 -1.845 1.849) 3.587 5.967 ( -9.479 -20.612 -12.325) 25.819 6.200 ( -18.362 -0.192 1.222) 18.404 6.285 ( 7.576 0.572 17.083) 18.696 6.880 ( 10.975 0.837 -7.571) 13.359 6.910 ( 10.424 -1.932 1.209) 10.670 7.093 ( 0.596 -1.693 0.713) 1.932 7.335 ( 25.288 -1.114 6.107) 26.039 7.637 ( 6.362 1.113 2.412) 6.895 7.820 ( 0.301 0.583 -4.114) 4.166 8.111 ( 8.136 -8.622 -2.113) 12.042 8.301 ( -2.166 -7.054 0.193) 7.381 8.477 ( -4.006 -0.359 4.986) 6.406 8.726 ( 6.120 1.376 -0.180) 6.276 9.917 ( -6.757 3.677 -0.351) 7.701 9.955 ( -13.643 -0.153 -1.006) 13.681 10.233 ( -11.200 0.967 -0.873) 11.275 10.413 ( -0.106 2.661 -1.349) 2.985 11.203 ( 8.666 4.624 -0.155) 9.824 11.274 ( -1.782 1.310 2.415) 3.274 11.626 ( 1.862 3.495 -0.195) 3.965 11.694 ( 1.974 1.551 2.174) 3.321 11.789 ( 12.293 -0.206 -2.837) 12.618 12.093 ( -4.983 0.493 6.897) 8.523 12.294 ( 7.264 2.610 -7.381) 10.680 12.424 ( -1.645 -5.784 -2.694) 6.590 13.030 ( -21.432 0.073 4.840) 21.972 13.370 ( -14.224 2.058 -3.667) 14.833 14.490 ( 7.127 3.404 2.815) 8.385 14.548 ( 10.623 -0.582 -2.412) 10.909 16.008 ( 2.219 -1.454 1.963) 3.300 16.020 ( 0.207 0.202 -1.875) 1.898 21.800 ( 0.528 0.254 9.128) 9.147 21.847 ( 3.117 -0.941 -2.656) 4.201 22.081 ( 2.506 -2.863 -2.358) 4.476 22.358 ( 4.129 0.497 2.122) 4.669 22.597 ( 8.732 17.032 -6.063) 20.077 22.713 ( -0.529 -1.441 3.439) 3.767 24.458 ( -7.447 3.251 -1.647) 8.291 24.750 ( -17.049 -2.042 2.214) 17.313 25.398 ( 17.167 5.317 0.041) 17.972 25.813 ( 14.449 4.902 7.407) 16.960 28.149 ( 3.821 8.728 -27.889) 29.471 28.336 ( -7.554 0.649 3.479) 8.342 ======================= Grid point 2 (3/117) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 16.416 -19.069 3.456) 25.398 1.302 ( 24.329 -21.357 -2.233) 32.450 1.660 ( 7.817 0.202 -9.568) 12.356 2.003 ( 9.286 -8.921 3.916) 13.460 2.164 ( 14.636 -13.067 -7.753) 21.097 2.485 ( 7.962 -5.217 7.158) 11.910 2.628 ( 10.944 -13.116 9.651) 19.621 3.044 ( 6.768 -2.455 -5.539) 9.084 3.102 ( 13.221 1.600 -2.124) 13.486 3.132 ( 1.646 4.882 -0.912) 5.233 3.242 ( 2.757 1.964 3.584) 4.930 3.386 ( 7.576 6.802 -3.486) 10.762 3.520 ( 0.738 2.855 1.111) 3.151 3.649 ( -6.918 1.063 -0.199) 7.002 3.728 ( -2.609 -5.360 0.274) 5.967 3.885 ( 3.068 0.136 -0.846) 3.186 3.995 ( -2.872 -1.139 -4.131) 5.158 4.162 ( 2.264 -2.623 1.674) 3.848 4.318 ( 1.045 4.129 2.001) 4.706 4.379 ( -0.292 -0.099 -1.942) 1.967 4.539 ( -6.600 -0.919 4.522) 8.053 4.630 ( -3.211 1.944 2.047) 4.276 4.730 ( -0.569 4.723 -8.546) 9.781 4.776 ( 1.341 1.446 8.120) 8.356 5.093 ( 2.235 -1.245 5.305) 5.890 5.197 ( 6.881 0.199 -6.152) 9.232 5.300 ( 9.681 3.408 -1.206) 10.334 5.531 ( 20.063 8.477 -0.293) 21.782 5.829 ( -3.470 -0.473 5.307) 6.358 5.871 ( -7.107 1.675 1.755) 7.509 6.069 ( 1.073 -2.050 -10.511) 10.762 6.421 ( 5.807 0.632 3.629) 6.877 7.092 ( 3.065 -1.693 4.619) 5.796 7.159 ( 23.547 0.227 -1.472) 23.594 7.242 ( 16.396 -4.933 -3.062) 17.393 7.629 ( 7.383 2.346 -2.708) 8.207 7.793 ( 1.783 2.432 -6.490) 7.157 7.941 ( 22.667 0.251 7.051) 23.740 8.237 ( 1.897 -6.284 3.877) 7.623 8.432 ( 0.998 -0.679 6.552) 6.663 8.547 ( 22.460 0.928 -3.546) 22.757 8.814 ( 5.373 1.995 0.080) 5.732 9.655 ( -15.579 1.381 1.875) 15.752 9.784 ( -6.660 4.027 -1.922) 8.017 9.968 ( -15.112 2.007 -3.780) 15.706 10.341 ( -4.329 4.895 -1.092) 6.625 11.199 ( -0.822 3.164 0.758) 3.356 11.373 ( 7.253 2.355 1.889) 7.856 11.553 ( -8.485 -2.879 0.684) 8.986 11.693 ( 0.269 3.431 0.136) 3.444 11.969 ( -8.394 -2.495 1.029) 8.817 12.058 ( 11.189 -3.332 1.807) 11.813 12.343 ( -5.996 -2.493 -1.211) 6.605 12.472 ( 3.149 0.309 -5.638) 6.466 12.640 ( -15.628 -0.869 4.104) 16.181 13.094 ( -10.528 4.093 -3.430) 11.805 14.574 ( 6.558 5.142 5.478) 9.972 14.749 ( 11.745 1.750 -4.230) 12.606 16.009 ( -1.387 0.369 -3.087) 3.404 16.067 ( 3.057 0.022 2.939) 4.241 21.817 ( 1.035 -0.402 5.766) 5.872 21.914 ( 1.934 -3.189 -4.397) 5.766 22.177 ( 4.703 -4.401 -3.806) 7.481 22.450 ( 6.401 0.760 3.458) 7.315 22.585 ( 1.364 4.405 -2.034) 5.040 22.723 ( -0.684 -2.528 3.653) 4.495 24.224 ( -13.988 5.390 -1.772) 15.095 24.435 ( -19.575 -2.043 0.985) 19.706 25.719 ( 22.316 3.449 -0.380) 22.585 26.046 ( 16.711 6.316 1.525) 17.930 28.108 ( -1.075 5.205 -8.789) 10.271 28.179 ( -8.179 0.503 2.363) 8.529 ======================= Grid point 3 (4/117) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 8.212 -12.060 2.843) 14.865 1.772 ( 14.405 -0.663 -0.293) 14.423 1.944 ( 19.198 -21.741 -8.577) 30.246 2.131 ( 3.943 -4.304 -0.146) 5.839 2.434 ( -0.303 -3.456 0.286) 3.481 2.618 ( 1.934 -10.367 4.628) 11.516 2.938 ( 4.408 -5.245 4.865) 8.403 3.068 ( 2.925 -0.575 -3.652) 4.715 3.166 ( 4.169 2.124 -3.467) 5.823 3.273 ( 6.823 3.907 2.474) 8.243 3.379 ( 3.475 -5.065 3.114) 6.887 3.409 ( 5.335 6.306 -2.213) 8.551 3.514 ( -3.397 2.020 -1.785) 4.336 3.561 ( 5.575 -0.318 -1.748) 5.851 3.762 ( 0.141 -2.515 5.971) 6.480 3.893 ( 2.258 3.928 -5.139) 6.851 3.972 ( -0.123 -0.771 -3.669) 3.751 4.195 ( 0.224 2.247 3.112) 3.845 4.349 ( 5.739 1.494 1.945) 6.241 4.382 ( -0.584 -1.082 -2.181) 2.503 4.457 ( -3.846 -3.004 3.222) 5.848 4.573 ( -3.159 -1.733 0.449) 3.631 4.701 ( 0.557 0.638 -4.537) 4.615 4.814 ( 1.140 -1.283 4.772) 5.071 5.154 ( 2.951 -2.437 5.430) 6.643 5.296 ( 4.773 0.887 -1.784) 5.173 5.408 ( 5.634 4.057 -1.855) 7.186 5.759 ( -0.376 -2.039 1.087) 2.341 5.780 ( 9.282 2.544 1.554) 9.749 5.854 ( 6.397 1.786 -3.519) 7.516 6.129 ( 6.462 4.722 -5.946) 9.970 6.466 ( 0.387 0.437 2.333) 2.405 7.159 ( 2.301 -3.510 4.941) 6.483 7.512 ( 6.333 3.230 -2.795) 7.639 7.591 ( 15.101 -3.413 -3.867) 15.957 7.723 ( 7.564 3.349 -0.929) 8.324 7.938 ( 26.554 0.370 -1.112) 26.580 8.183 ( 10.022 -1.210 -1.208) 10.167 8.485 ( 4.091 -2.211 4.065) 6.177 8.559 ( 26.977 1.911 7.712) 28.123 8.848 ( 3.575 1.755 1.266) 4.178 8.992 ( 22.488 0.400 -3.684) 22.791 9.404 ( -10.668 0.564 2.109) 10.889 9.621 ( -7.172 4.613 -2.800) 8.976 9.719 ( -9.687 2.706 -1.824) 10.222 10.180 ( -8.466 4.143 0.610) 9.445 11.091 ( -13.995 0.347 -2.686) 14.255 11.270 ( -22.308 -1.403 1.667) 22.414 11.423 ( -4.007 0.981 -2.417) 4.781 11.656 ( -0.446 3.915 1.626) 4.263 11.849 ( -2.923 0.714 2.948) 4.212 12.074 ( -16.339 -2.148 4.807) 17.166 12.285 ( 5.928 -6.490 -2.663) 9.185 12.420 ( -2.074 0.853 1.155) 2.523 12.701 ( 9.544 -0.902 -6.563) 11.618 12.983 ( 1.159 3.239 -0.014) 3.440 14.640 ( 6.856 5.736 5.104) 10.294 14.915 ( 9.477 2.806 -3.293) 10.418 15.955 ( -4.236 0.208 -3.512) 5.507 16.103 ( 0.703 -0.026 2.978) 3.060 21.847 ( 1.884 -0.065 4.978) 5.323 21.960 ( -0.752 -4.888 -4.966) 7.009 22.318 ( 6.300 -4.950 -4.915) 9.399 22.560 ( 6.514 1.091 4.537) 8.013 22.570 ( -0.389 0.184 -0.396) 0.584 22.730 ( -1.431 -2.561 2.836) 4.080 23.898 ( -16.175 5.269 -0.899) 17.035 24.124 ( -16.752 -0.900 -0.523) 16.785 26.072 ( 20.237 3.538 -0.266) 20.546 26.270 ( 14.314 5.253 0.005) 15.248 27.993 ( -6.496 1.708 2.625) 7.212 28.082 ( -2.610 2.439 -3.875) 5.270 ======================= Grid point 4 (5/117) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 8.949 -4.700 2.757) 10.478 2.010 ( 9.127 -3.534 -4.299) 10.690 2.182 ( -2.350 -3.448 -3.341) 5.346 2.342 ( -1.206 -0.296 8.608) 8.697 2.505 ( 16.846 -10.334 -1.544) 19.824 2.750 ( 1.559 -14.593 -5.051) 15.521 2.922 ( -2.937 0.196 2.990) 4.196 3.113 ( 0.523 0.351 -1.012) 1.192 3.141 ( -1.850 6.297 -4.438) 7.922 3.249 ( -4.562 7.945 1.590) 9.299 3.408 ( -0.663 -4.662 -2.129) 5.168 3.448 ( 1.239 -0.693 3.332) 3.622 3.524 ( 3.913 4.911 1.985) 6.586 3.662 ( -1.028 -2.780 -2.247) 3.720 3.752 ( 1.540 5.572 6.454) 8.664 3.936 ( 2.568 0.656 -1.945) 3.287 4.026 ( 6.577 -3.997 -3.571) 8.485 4.196 ( 2.996 4.827 1.033) 5.775 4.364 ( -2.148 -2.610 -3.466) 4.841 4.401 ( 0.356 0.071 4.308) 4.323 4.499 ( 2.986 -4.581 -1.348) 5.632 4.571 ( 1.185 -2.761 0.374) 3.028 4.705 ( -0.409 1.241 0.612) 1.443 4.798 ( -4.231 -0.897 1.212) 4.492 5.243 ( 3.376 -2.698 2.356) 4.922 5.359 ( 0.616 -2.811 3.921) 4.864 5.445 ( 5.602 2.970 -4.950) 8.044 5.730 ( -2.601 5.868 0.573) 6.444 5.900 ( 6.424 -5.754 -2.015) 8.857 6.019 ( 7.740 0.990 -1.270) 7.905 6.187 ( 5.019 4.996 -3.612) 7.950 6.447 ( -1.874 0.275 3.329) 3.831 7.239 ( 2.698 -3.574 1.656) 4.775 7.454 ( -3.668 3.822 -0.246) 5.303 7.766 ( 4.306 2.630 -2.884) 5.812 7.789 ( 2.457 -0.905 0.178) 2.624 8.431 ( 15.031 -1.155 1.857) 15.190 8.507 ( 22.758 -0.941 -1.120) 22.805 8.653 ( 10.708 -2.098 3.719) 11.528 8.926 ( 14.964 2.716 -5.320) 16.111 8.992 ( 23.193 2.271 3.086) 23.508 9.186 ( -3.782 0.383 -2.423) 4.508 9.406 ( 10.657 3.340 0.592) 11.184 9.468 ( -6.652 0.492 -0.490) 6.688 9.607 ( 3.199 0.764 4.555) 5.618 10.014 ( -4.015 2.912 -0.055) 4.960 10.650 ( -36.917 -1.517 2.216) 37.015 10.716 ( -34.605 -2.867 -4.626) 35.030 11.427 ( 5.999 5.410 -6.375) 10.291 11.600 ( -3.810 0.408 4.912) 6.229 11.819 ( 0.049 2.290 2.569) 3.442 11.897 ( -6.277 -1.506 2.382) 6.881 12.398 ( -0.169 -3.698 -1.998) 4.207 12.431 ( 3.975 -1.019 0.466) 4.130 12.847 ( 5.800 -0.425 -4.083) 7.106 13.014 ( 3.038 1.118 1.264) 3.475 14.717 ( 6.317 4.065 3.227) 8.176 15.025 ( 5.520 2.181 -1.696) 6.173 15.868 ( -4.731 -0.043 -2.666) 5.431 16.099 ( -0.933 -0.256 1.982) 2.206 21.884 ( 2.274 0.752 4.224) 4.855 21.975 ( -2.047 -4.286 -4.399) 6.474 22.472 ( 5.967 -4.201 -5.741) 9.285 22.569 ( -0.257 -1.300 0.704) 1.501 22.646 ( 3.471 2.151 5.053) 6.496 22.725 ( -0.728 -1.822 1.470) 2.452 23.601 ( -11.628 3.544 -0.368) 12.162 23.882 ( -10.411 -0.154 -0.764) 10.440 26.336 ( 12.136 2.413 -0.006) 12.374 26.440 ( 8.634 2.780 -0.314) 9.076 27.888 ( -4.034 0.587 1.834) 4.470 28.017 ( -2.088 1.870 -1.856) 3.361 ======================= Grid point 5 (6/117) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 0.000 -0.000 -0.000) 0.000 2.066 ( 0.000 -0.000 0.000) 0.000 2.238 ( -0.000 0.000 0.000) 0.000 2.246 ( 0.000 -0.000 -0.000) 0.000 2.826 ( -0.000 0.000 -0.000) 0.000 2.844 ( 0.000 -0.000 0.000) 0.000 2.927 ( -0.000 0.000 0.000) 0.000 3.011 ( 0.000 -0.000 -0.000) 0.000 3.097 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 -0.000 0.000) 0.000 3.436 ( 0.000 -0.000 0.000) 0.000 3.465 ( 0.000 -0.000 -0.000) 0.000 3.508 ( 0.000 -0.000 0.000) 0.000 3.665 ( 0.000 -0.000 -0.000) 0.000 3.718 ( 0.000 -0.000 -0.000) 0.000 3.959 ( 0.000 -0.000 0.000) 0.000 4.151 ( 0.000 -0.000 0.000) 0.000 4.184 ( 0.000 0.000 0.000) 0.000 4.358 ( 0.000 -0.000 0.000) 0.000 4.398 ( 0.000 0.000 0.000) 0.000 4.597 ( 0.000 -0.000 -0.000) 0.000 4.597 ( -0.000 0.000 0.000) 0.000 4.683 ( 0.000 -0.000 0.000) 0.000 4.727 ( 0.000 -0.000 0.000) 0.000 5.292 ( 0.000 -0.000 -0.000) 0.000 5.360 ( 0.000 -0.000 0.000) 0.000 5.573 ( -0.000 0.000 0.000) 0.000 5.602 ( 0.000 -0.000 -0.000) 0.000 6.024 ( 0.000 0.000 0.000) 0.000 6.056 ( 0.000 -0.000 -0.000) 0.000 6.213 ( 0.000 -0.000 -0.000) 0.000 6.421 ( 0.000 -0.000 0.000) 0.000 7.297 ( 0.000 -0.000 0.000) 0.000 7.383 ( 0.000 -0.000 -0.000) 0.000 7.787 ( 0.000 -0.000 -0.000) 0.000 7.810 ( 0.000 0.000 0.000) 0.000 8.570 ( 0.000 -0.000 0.000) 0.000 8.604 ( -0.000 -0.000 0.000) 0.000 8.983 ( 0.000 -0.000 -0.000) 0.000 9.040 ( -0.000 -0.000 0.000) 0.000 9.155 ( 0.000 0.000 0.000) 0.000 9.183 ( 0.000 0.000 0.000) 0.000 9.271 ( -0.000 -0.000 -0.000) 0.000 9.660 ( 0.000 -0.000 0.000) 0.000 9.880 ( 0.000 0.000 -0.000) 0.000 9.912 ( -0.000 -0.000 0.000) 0.000 10.131 ( 0.000 -0.000 0.000) 0.000 10.283 ( -0.000 -0.000 -0.000) 0.000 11.477 ( 0.000 -0.000 -0.000) 0.000 11.543 ( 0.000 -0.000 0.000) 0.000 11.827 ( -0.000 -0.000 -0.000) 0.000 11.834 ( 0.000 -0.000 0.000) 0.000 12.413 ( 0.000 -0.000 0.000) 0.000 12.477 ( 0.000 -0.000 -0.000) 0.000 12.900 ( 0.000 -0.000 -0.000) 0.000 13.039 ( 0.000 -0.000 0.000) 0.000 14.762 ( 0.000 -0.000 0.000) 0.000 15.063 ( 0.000 -0.000 0.000) 0.000 15.820 ( 0.000 -0.000 0.000) 0.000 16.090 ( 0.000 -0.000 0.000) 0.000 21.905 ( -0.000 -0.000 -0.000) 0.000 21.973 ( 0.000 -0.000 0.000) 0.000 22.549 ( 0.000 -0.000 0.000) 0.000 22.608 ( 0.000 0.000 0.000) 0.000 22.622 ( 0.000 -0.000 -0.000) 0.000 22.743 ( 0.000 -0.000 0.000) 0.000 23.472 ( 0.000 -0.000 -0.000) 0.000 23.786 ( 0.000 -0.000 0.000) 0.000 26.436 ( 0.000 -0.000 0.000) 0.000 26.506 ( 0.000 -0.000 0.000) 0.000 27.849 ( 0.000 -0.000 -0.000) 0.000 27.987 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 12 (7/117) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 22.862 -0.000 -11.535) 25.607 1.072 ( 28.168 -0.000 -5.362) 28.673 1.763 ( 0.183 -0.000 -6.196) 6.199 1.833 ( 32.715 -0.000 8.962) 33.921 2.058 ( 6.957 -0.000 -9.013) 11.386 2.445 ( 12.099 -0.000 7.804) 14.397 2.490 ( 9.791 -0.000 12.893) 16.190 3.015 ( 7.799 -0.000 -5.759) 9.695 3.107 ( 14.552 -0.000 -2.041) 14.694 3.203 ( 0.324 -0.000 -0.602) 0.683 3.248 ( 0.573 -0.000 2.496) 2.561 3.454 ( 9.831 -0.000 -3.285) 10.365 3.618 ( 0.924 -0.000 1.879) 2.093 3.633 ( 0.616 -0.000 0.326) 0.696 3.665 ( -9.418 0.000 -2.499) 9.744 3.885 ( 3.945 -0.000 -1.240) 4.135 3.966 ( -1.864 0.000 -0.122) 1.868 4.133 ( -0.023 0.000 -1.115) 1.115 4.350 ( 3.170 -0.000 1.751) 3.622 4.383 ( -3.415 0.000 -2.371) 4.158 4.530 ( -5.627 0.000 7.886) 9.688 4.657 ( -7.386 0.000 0.238) 7.390 4.723 ( -3.847 0.000 -3.799) 5.407 4.867 ( 3.401 -0.000 2.808) 4.411 5.068 ( 1.047 -0.000 5.622) 5.718 5.195 ( 7.040 -0.000 -4.571) 8.394 5.329 ( 8.441 -0.000 -0.916) 8.491 5.689 ( 8.532 -0.000 0.840) 8.573 5.809 ( 1.977 -0.000 3.022) 3.611 5.917 ( -11.118 0.000 1.596) 11.232 5.968 ( 10.826 -0.000 -14.832) 18.363 6.431 ( 5.620 -0.000 9.600) 11.125 7.080 ( 0.258 -0.000 4.575) 4.583 7.164 ( 23.767 -0.000 -0.102) 23.767 7.179 ( 18.876 -0.000 -5.251) 19.593 7.649 ( 8.588 -0.000 -4.509) 9.699 7.816 ( -0.534 0.000 -5.151) 5.178 7.932 ( 21.397 -0.000 4.433) 21.852 8.159 ( 11.508 -0.000 7.068) 13.505 8.429 ( -0.928 0.000 4.089) 4.193 8.563 ( 22.241 -0.000 -2.712) 22.406 8.832 ( 4.703 -0.000 0.683) 4.752 9.667 ( -16.100 0.000 1.265) 16.150 9.827 ( -6.394 0.000 -1.115) 6.490 9.985 ( -15.387 0.000 -4.041) 15.909 10.387 ( -5.268 0.000 -0.382) 5.282 11.231 ( -1.648 0.000 0.068) 1.649 11.398 ( 6.493 -0.000 3.233) 7.253 11.523 ( -8.426 0.000 -0.016) 8.426 11.744 ( 1.493 -0.000 -0.821) 1.704 11.938 ( -5.591 0.000 -1.386) 5.761 12.020 ( 5.565 -0.000 7.262) 9.149 12.306 ( -9.167 0.000 -2.898) 9.615 12.484 ( 11.565 -0.000 -8.123) 14.132 12.629 ( -20.329 0.000 6.335) 21.293 13.133 ( -10.720 0.000 -3.976) 11.434 14.642 ( 6.646 -0.000 5.925) 8.904 14.755 ( 12.157 -0.000 -5.618) 13.393 16.016 ( -1.305 0.000 -2.459) 2.784 16.065 ( 3.260 -0.000 2.968) 4.409 21.813 ( 0.982 -0.000 6.428) 6.503 21.883 ( 1.265 -0.000 -4.268) 4.452 22.135 ( 5.140 -0.000 -4.126) 6.591 22.458 ( 6.510 -0.000 3.051) 7.189 22.658 ( -2.263 0.000 0.351) 2.290 22.674 ( -1.841 0.000 2.302) 2.948 24.293 ( -12.848 0.000 -3.810) 13.401 24.398 ( -20.347 0.000 2.212) 20.467 25.753 ( 21.472 -0.000 -0.908) 21.492 26.113 ( 15.160 -0.000 2.743) 15.406 28.175 ( -10.029 0.000 5.186) 11.291 28.176 ( -1.571 0.000 -13.876) 13.965 ======================= Grid point 13 (8/117) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 17.971 -7.545 -6.941) 20.690 1.564 ( 20.409 -13.085 -14.329) 28.161 1.831 ( 10.333 4.011 -3.525) 11.632 2.100 ( 10.547 -1.007 8.226) 13.413 2.339 ( 7.343 -4.187 -0.087) 8.453 2.547 ( 1.596 0.206 7.396) 7.569 2.773 ( 14.682 -7.939 7.211) 18.182 3.106 ( 0.783 2.881 -2.183) 3.699 3.175 ( -0.059 -0.737 -1.512) 1.683 3.298 ( 3.150 -0.930 1.508) 3.614 3.326 ( 7.442 -0.429 0.598) 7.479 3.551 ( -0.029 3.038 -2.733) 4.087 3.583 ( 2.842 5.904 -1.938) 6.833 3.617 ( 2.363 4.413 -3.818) 6.296 3.693 ( 8.325 -3.319 4.072) 9.844 3.935 ( 0.988 0.776 -3.879) 4.078 3.952 ( 0.950 -0.934 -2.554) 2.880 4.167 ( 1.445 -3.221 0.305) 3.543 4.357 ( 1.566 0.177 1.234) 2.002 4.383 ( 0.596 -0.012 1.670) 1.773 4.453 ( -3.967 1.848 5.816) 7.278 4.525 ( -6.524 -3.522 1.709) 7.608 4.672 ( -3.139 -1.546 -6.220) 7.137 4.902 ( 3.931 7.215 3.809) 9.057 5.097 ( 0.558 -3.798 5.043) 6.338 5.293 ( 2.979 -0.546 2.825) 4.141 5.459 ( 6.474 1.444 -2.257) 7.007 5.713 ( -2.401 -1.586 -2.903) 4.087 5.823 ( 1.820 1.288 1.342) 2.602 5.928 ( 11.191 4.557 -2.368) 12.313 6.157 ( 7.835 -1.234 -11.737) 14.166 6.479 ( 0.552 0.686 7.725) 7.775 7.108 ( 1.880 -1.618 5.435) 5.974 7.520 ( 15.403 -2.897 -3.092) 15.975 7.554 ( 8.436 1.219 -2.081) 8.774 7.768 ( 7.096 1.334 -4.334) 8.422 7.940 ( 24.466 -0.103 -0.444) 24.470 8.154 ( 11.239 -1.222 -0.335) 11.310 8.457 ( 4.067 -0.708 1.215) 4.303 8.578 ( 27.777 0.423 9.868) 29.481 8.880 ( 2.371 1.371 0.894) 2.881 8.995 ( 24.587 -0.117 -2.237) 24.689 9.409 ( -12.490 0.075 1.050) 12.534 9.696 ( -7.409 3.077 -1.844) 8.232 9.746 ( -10.283 0.092 -3.314) 10.805 10.232 ( -10.707 1.386 1.944) 10.970 11.093 ( -17.872 -0.020 -5.109) 18.588 11.251 ( -25.465 -0.520 3.827) 25.756 11.439 ( 1.620 0.540 -2.202) 2.787 11.743 ( 0.429 3.966 -1.265) 4.185 11.870 ( 2.271 0.948 6.663) 7.103 12.053 ( -15.118 -0.076 5.658) 16.143 12.164 ( 4.731 -5.285 -3.855) 8.073 12.409 ( -6.647 -1.050 1.123) 6.822 12.684 ( 9.996 -0.618 -5.234) 11.300 13.036 ( 0.314 1.852 -2.136) 2.845 14.736 ( 5.921 3.514 5.354) 8.722 14.942 ( 9.029 0.392 -4.265) 9.993 15.965 ( -4.097 0.513 -2.877) 5.033 16.100 ( 0.388 -0.197 2.865) 2.898 21.844 ( 2.276 -0.118 5.742) 6.178 21.890 ( -1.170 -2.254 -4.613) 5.266 22.253 ( 7.139 -1.917 -5.296) 9.093 22.580 ( 7.258 0.812 3.574) 8.131 22.598 ( -1.428 2.719 1.075) 3.254 22.672 ( -1.540 -3.668 2.247) 4.569 23.999 ( -16.443 5.437 -1.177) 17.359 24.084 ( -16.782 -3.536 -0.824) 17.170 26.118 ( 19.304 1.331 0.050) 19.350 26.342 ( 11.810 2.188 -0.590) 12.025 28.011 ( -8.073 0.390 3.710) 8.894 28.125 ( -2.799 1.634 -5.214) 6.139 ======================= Grid point 14 (9/117) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 14.120 -4.031 -1.416) 14.752 1.937 ( 8.207 -9.740 -14.391) 19.218 2.058 ( 12.950 -4.583 -2.822) 14.024 2.324 ( 12.867 0.915 7.262) 14.803 2.373 ( -3.494 -3.681 -0.024) 5.075 2.577 ( 1.480 -4.457 5.346) 7.116 2.957 ( 0.155 2.579 4.512) 5.199 3.071 ( 2.596 -2.933 -3.076) 4.980 3.204 ( 0.064 -0.192 1.718) 1.730 3.311 ( -1.270 -4.168 0.523) 4.388 3.443 ( 1.025 7.545 -0.682) 7.645 3.474 ( -1.052 5.460 -0.040) 5.560 3.613 ( 3.832 -1.067 -1.753) 4.347 3.633 ( 3.757 4.789 -1.056) 6.177 3.848 ( 7.204 4.486 7.554) 11.362 3.967 ( 3.534 0.247 -6.123) 7.074 3.974 ( 0.787 -0.557 -3.644) 3.769 4.193 ( -0.699 -2.012 1.342) 2.518 4.338 ( -3.739 0.104 -2.532) 4.517 4.408 ( 0.984 -1.138 3.354) 3.676 4.464 ( 6.429 -2.699 1.123) 7.063 4.512 ( 0.159 -3.200 3.894) 5.042 4.640 ( -2.724 -3.965 -6.181) 7.833 4.869 ( 0.022 7.904 3.778) 8.761 5.167 ( 2.142 -5.334 4.154) 7.092 5.310 ( -2.045 -2.325 6.847) 7.514 5.495 ( 1.023 1.790 -5.011) 5.418 5.795 ( 5.461 -0.216 -2.972) 6.221 5.830 ( 2.363 -0.107 -1.543) 2.824 6.069 ( 8.156 3.985 -1.421) 9.188 6.246 ( 2.449 1.001 -6.909) 7.398 6.460 ( -1.800 0.943 5.407) 5.776 7.173 ( 2.608 -3.174 3.076) 5.132 7.509 ( -4.907 2.378 0.706) 5.498 7.699 ( 1.329 -4.634 -3.395) 5.896 7.845 ( 3.378 2.536 -1.663) 4.540 8.413 ( 15.164 -0.760 1.589) 15.266 8.499 ( 24.710 -0.068 -1.985) 24.790 8.618 ( 10.532 -1.532 1.235) 10.714 8.973 ( 17.099 2.120 -3.968) 17.681 9.013 ( 20.567 0.325 6.502) 21.572 9.203 ( -7.083 1.266 -1.279) 7.308 9.422 ( 18.269 -1.020 1.816) 18.388 9.509 ( -12.476 3.093 0.037) 12.854 9.627 ( 0.327 1.324 0.652) 1.512 10.050 ( -5.310 1.023 0.773) 5.463 10.629 ( -38.315 -0.758 2.081) 38.379 10.668 ( -32.583 -2.179 -6.035) 33.209 11.491 ( 2.348 1.593 -0.153) 2.841 11.679 ( -0.531 6.768 -5.077) 8.477 11.866 ( -3.126 1.853 6.343) 7.310 11.909 ( 0.586 3.286 3.052) 4.523 12.270 ( -0.277 -7.103 -2.193) 7.439 12.378 ( -0.067 -5.636 2.202) 6.051 12.825 ( 4.614 -1.498 -1.202) 4.998 13.065 ( 4.414 3.254 -2.875) 6.192 14.789 ( 3.159 3.372 3.330) 5.695 15.052 ( 3.851 0.789 -2.268) 4.538 15.877 ( -4.215 0.832 -1.989) 4.734 16.093 ( -1.007 -0.394 1.680) 1.998 21.874 ( -1.191 -2.266 -1.972) 3.231 21.910 ( 2.534 -1.524 3.103) 4.286 22.406 ( 7.630 -2.644 -6.354) 10.275 22.564 ( -0.184 1.091 2.254) 2.511 22.674 ( -0.443 -1.430 4.137) 4.400 22.704 ( 6.090 0.897 0.461) 6.173 23.681 ( -13.012 4.872 -0.330) 13.898 23.861 ( -10.723 -2.143 -1.086) 10.989 26.372 ( 10.100 1.364 1.439) 10.293 26.483 ( 5.923 1.705 -2.176) 6.536 27.894 ( -4.861 0.133 0.888) 4.944 28.052 ( -3.377 1.625 -0.644) 3.803 ======================= Grid point 15 (10/117) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 5.483 -0.635 1.329) 5.678 2.096 ( 6.182 0.189 -5.499) 8.276 2.198 ( 4.863 -2.086 -2.765) 5.970 2.247 ( -9.498 0.907 4.903) 10.728 2.641 ( 8.367 -17.935 -10.193) 22.261 2.727 ( 9.449 -5.203 6.750) 12.724 2.939 ( 2.380 5.340 1.832) 6.127 3.135 ( 1.544 1.165 -1.957) 2.752 3.167 ( -1.026 7.312 -1.198) 7.480 3.221 ( -6.767 9.779 3.337) 12.351 3.358 ( -0.163 -5.076 -1.324) 5.248 3.460 ( -0.725 0.856 1.869) 2.180 3.599 ( -0.015 5.185 -0.151) 5.188 3.675 ( 0.654 3.453 -1.191) 3.710 3.848 ( 1.226 7.534 9.251) 11.993 3.971 ( 0.354 1.403 -2.547) 2.930 4.035 ( -1.364 -5.084 -4.938) 7.218 4.194 ( -1.784 -5.209 1.539) 5.717 4.353 ( 2.820 0.405 -2.419) 3.737 4.453 ( 3.784 2.404 -1.724) 4.803 4.528 ( 2.472 -0.966 -1.604) 3.101 4.590 ( 0.589 -3.127 2.001) 3.759 4.667 ( 2.444 -4.407 0.909) 5.121 4.774 ( -2.254 7.223 2.051) 7.839 5.251 ( 0.748 -4.618 2.546) 5.326 5.297 ( -2.337 -4.780 3.914) 6.605 5.513 ( 1.461 -2.359 -3.641) 4.578 5.717 ( -5.835 6.417 0.835) 8.713 5.984 ( 7.011 -1.520 -3.997) 8.212 6.123 ( 1.627 4.164 0.910) 4.563 6.212 ( -5.969 -0.108 0.727) 6.014 6.428 ( -0.069 0.583 -1.055) 1.208 7.257 ( 3.359 -3.569 0.594) 4.937 7.397 ( -5.508 1.180 2.215) 6.053 7.707 ( -4.451 -5.228 -3.381) 7.653 7.854 ( 0.144 1.718 0.063) 1.726 8.573 ( 2.690 0.223 1.802) 3.246 8.615 ( 0.951 1.072 -3.127) 3.439 8.949 ( 8.613 -3.030 -2.235) 9.400 9.046 ( -5.006 0.329 -0.463) 5.039 9.122 ( -12.633 -1.825 0.954) 12.800 9.215 ( -7.949 2.780 4.483) 9.540 9.309 ( 9.506 2.809 1.228) 9.988 9.655 ( 4.174 -0.574 0.423) 4.234 9.867 ( -38.410 -0.921 2.334) 38.492 9.930 ( 33.098 1.491 -1.602) 33.170 10.112 ( -8.396 -1.767 -2.121) 8.838 10.285 ( 9.532 0.105 -1.989) 9.738 11.433 ( -7.349 -1.727 6.481) 9.950 11.663 ( 5.848 9.505 -10.651) 15.427 11.830 ( -0.996 1.034 0.328) 1.473 11.881 ( 1.887 3.919 2.199) 4.874 12.308 ( -2.601 -8.118 1.038) 8.588 12.449 ( 0.527 -4.914 3.431) 6.016 12.870 ( -1.524 -2.619 2.991) 4.258 13.095 ( 2.509 4.735 -4.900) 7.262 14.766 ( -4.227 0.403 -0.153) 4.249 15.058 ( -2.784 -0.523 -0.149) 2.837 15.833 ( 0.904 1.278 0.795) 1.755 16.089 ( 0.320 -0.215 -0.505) 0.635 21.868 ( -2.067 -3.145 -4.049) 5.528 21.979 ( 3.954 0.256 5.406) 6.703 22.536 ( 3.413 -1.347 -4.157) 5.545 22.576 ( 2.606 -0.518 -0.483) 2.700 22.656 ( -2.055 0.861 4.292) 4.836 22.779 ( 3.873 3.353 -0.771) 5.181 23.494 ( -3.143 2.247 -0.068) 3.865 23.772 ( -0.556 -1.426 -0.128) 1.536 26.433 ( -2.801 -0.245 2.123) 3.523 26.505 ( -2.700 -0.082 -2.467) 3.658 27.846 ( -0.557 -0.278 -1.573) 1.692 27.991 ( -1.986 0.360 1.850) 2.738 ======================= Grid point 16 (11/117) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -5.422 4.386 -0.299) 6.981 2.060 ( -10.107 0.663 0.307) 10.134 2.239 ( 9.770 3.501 -0.314) 10.383 2.317 ( 5.678 -2.107 -3.759) 7.128 2.706 ( -14.150 10.583 -0.812) 17.688 2.876 ( 4.219 -7.609 0.298) 8.705 2.939 ( 1.151 -0.344 1.163) 1.672 3.052 ( -0.893 3.838 2.436) 4.632 3.153 ( 6.012 1.530 -0.735) 6.247 3.177 ( 2.043 4.146 0.042) 4.623 3.417 ( -0.088 -5.829 1.231) 5.958 3.437 ( -0.552 -0.968 -1.449) 1.828 3.540 ( -0.352 6.857 1.688) 7.070 3.629 ( -0.249 1.464 -4.542) 4.779 3.825 ( 2.525 6.932 6.216) 9.647 3.942 ( -2.144 0.200 -0.561) 2.225 4.045 ( -3.446 -7.256 -2.961) 8.562 4.119 ( -8.594 3.917 3.487) 10.068 4.400 ( 2.850 0.788 0.013) 2.957 4.444 ( -1.248 3.422 -5.372) 6.491 4.566 ( -1.395 1.036 3.002) 3.469 4.609 ( 1.603 -0.799 -3.987) 4.371 4.691 ( 1.028 4.983 -1.837) 5.410 4.786 ( 4.832 -3.407 3.981) 7.128 5.250 ( -2.499 -1.545 0.591) 2.997 5.326 ( -1.837 -5.637 2.328) 6.370 5.491 ( -10.346 6.254 1.061) 12.136 5.602 ( 1.414 -7.314 -0.673) 7.480 5.985 ( -9.858 2.090 -1.131) 10.141 6.052 ( -3.641 4.584 2.893) 6.530 6.106 ( -4.456 -2.299 -0.748) 5.069 6.448 ( 1.879 0.189 -1.962) 2.723 7.292 ( -3.330 1.988 -0.238) 3.886 7.368 ( 2.766 -5.370 1.156) 6.150 7.661 ( -6.261 -6.490 -0.886) 9.061 7.814 ( -4.482 -0.103 0.341) 4.496 8.455 ( -15.216 1.385 -2.160) 15.431 8.533 ( -23.163 1.704 0.136) 23.226 8.688 ( -8.721 1.612 -6.100) 10.764 8.880 ( -11.913 -2.186 6.142) 13.580 8.931 ( -24.440 -3.891 1.274) 24.780 9.191 ( -0.981 0.981 3.241) 3.526 9.342 ( -3.434 -2.889 0.167) 4.491 9.467 ( 1.373 -0.024 1.689) 2.177 9.592 ( -9.800 -1.129 -6.940) 12.062 9.955 ( 3.584 -3.112 0.166) 4.750 10.680 ( 38.257 1.539 -3.294) 38.429 10.765 ( 34.625 2.328 4.164) 34.952 11.336 ( -5.322 -3.758 5.403) 8.464 11.651 ( 1.277 5.486 -7.427) 9.321 11.806 ( 0.017 0.811 -0.235) 0.845 11.942 ( 8.174 2.979 -3.085) 9.231 12.329 ( -2.603 -6.748 2.064) 7.521 12.462 ( -2.565 -1.263 4.547) 5.371 12.827 ( -6.119 -2.525 6.575) 9.330 13.044 ( -3.532 3.899 -6.474) 8.342 14.654 ( -8.174 -2.521 -3.424) 9.214 14.975 ( -8.100 -3.046 1.690) 8.818 15.881 ( 5.140 1.347 3.388) 6.302 16.103 ( 0.831 0.047 -2.480) 2.616 21.857 ( -1.675 -2.040 -4.103) 4.879 22.036 ( 3.125 2.035 5.615) 6.741 22.539 ( -2.733 2.348 3.716) 5.176 22.597 ( -1.208 2.147 2.674) 3.635 22.623 ( -0.545 -0.671 -6.818) 6.873 22.783 ( 2.074 4.888 -2.095) 5.709 23.552 ( 9.238 -1.956 0.293) 9.448 23.871 ( 10.011 -1.143 0.604) 10.094 26.289 ( -14.529 -2.647 1.763) 14.873 26.387 ( -11.810 -2.851 -1.897) 12.296 27.875 ( 3.241 -0.634 -2.623) 4.218 27.987 ( 0.868 -1.452 2.943) 3.395 ======================= Grid point 17 (12/117) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -3.602 6.283 -2.463) 7.649 1.868 ( -9.264 6.332 -1.101) 11.275 2.152 ( -15.205 9.376 -6.834) 19.126 2.390 ( -2.833 14.946 4.055) 15.743 2.462 ( 8.690 1.787 1.976) 9.089 2.867 ( -0.157 11.400 4.911) 12.413 2.959 ( 0.261 0.622 -3.983) 4.040 3.014 ( -6.499 -6.043 4.695) 10.040 3.158 ( -0.703 1.590 0.573) 1.830 3.214 ( -1.584 -0.845 -2.480) 3.062 3.405 ( -2.598 -0.178 0.592) 2.671 3.431 ( -3.947 3.360 2.696) 5.842 3.547 ( 7.241 2.778 -2.650) 8.195 3.661 ( -6.981 3.537 -1.349) 7.941 3.713 ( 0.345 3.156 -0.219) 3.182 3.879 ( -3.790 2.015 -2.833) 5.143 3.972 ( -0.373 -0.703 5.561) 5.618 4.069 ( -2.470 -8.667 0.515) 9.027 4.354 ( -5.571 1.574 -4.268) 7.192 4.418 ( 1.016 2.531 1.502) 3.114 4.537 ( 0.970 4.324 0.250) 4.439 4.607 ( 1.267 1.829 1.869) 2.906 4.692 ( -0.399 1.098 -6.041) 6.153 4.861 ( 1.157 0.741 1.393) 1.957 5.205 ( -3.120 2.416 -3.094) 5.014 5.264 ( -9.509 -0.872 5.476) 11.008 5.319 ( -4.935 -5.212 1.240) 7.284 5.699 ( -2.777 -8.689 -0.377) 9.130 5.745 ( -12.409 -1.300 -1.817) 12.609 5.902 ( -6.229 4.892 1.515) 8.064 6.046 ( -4.242 -1.648 -0.550) 4.584 6.465 ( -0.081 0.250 1.096) 1.127 7.217 ( -2.647 2.455 -4.013) 5.398 7.439 ( -3.586 -4.651 3.033) 6.609 7.593 ( -10.220 -4.228 6.673) 12.917 7.670 ( -10.922 -1.659 -3.990) 11.746 7.931 ( -31.175 -0.174 1.678) 31.221 8.186 ( -12.995 -0.827 -0.174) 13.022 8.493 ( -24.257 -3.737 -3.763) 24.830 8.542 ( -6.098 2.403 -6.541) 9.260 8.817 ( -3.784 -1.882 -0.346) 4.240 8.989 ( -21.244 0.354 3.695) 21.566 9.391 ( 8.111 -0.754 -3.226) 8.761 9.534 ( 7.487 -4.845 3.833) 9.707 9.659 ( 8.359 -3.450 1.913) 9.243 10.093 ( 5.713 -4.883 -0.388) 7.525 11.079 ( 6.714 -0.873 1.148) 6.867 11.287 ( 16.973 -0.164 -1.934) 17.084 11.417 ( 13.945 0.629 4.553) 14.683 11.631 ( 1.137 1.544 -5.624) 5.942 11.857 ( 9.201 1.504 -0.348) 9.330 12.125 ( 16.702 3.143 -4.961) 17.704 12.343 ( -2.846 -3.025 0.229) 4.159 12.388 ( -4.711 0.243 5.235) 7.047 12.703 ( -9.162 -0.984 8.220) 12.348 12.939 ( -4.580 -1.400 -5.059) 6.966 14.556 ( -5.381 -3.050 -5.323) 8.160 14.842 ( -10.883 -4.806 3.124) 12.300 15.962 ( 4.441 0.952 4.275) 6.238 16.101 ( -1.202 -0.169 -3.336) 3.550 21.843 ( -1.140 -0.559 -3.799) 4.006 22.046 ( 0.712 3.852 5.091) 6.424 22.416 ( -5.920 4.938 4.151) 8.755 22.554 ( -4.429 1.278 -2.637) 5.311 22.580 ( -2.100 0.404 -1.413) 2.563 22.786 ( 2.781 4.409 -2.786) 5.910 23.808 ( 14.908 -4.705 0.561) 15.643 24.122 ( 16.681 -0.828 0.333) 16.705 25.998 ( -21.378 -4.298 0.997) 21.828 26.164 ( -17.152 -5.978 -1.079) 18.196 27.956 ( 3.984 -1.938 -0.555) 4.465 28.044 ( 3.779 -1.833 1.537) 4.473 ======================= Grid point 18 (13/117) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -12.940 13.434 -11.527) 21.927 1.549 ( -16.118 13.721 1.162) 21.199 1.842 ( -3.020 10.366 3.633) 11.392 2.214 ( -1.819 16.694 1.970) 16.908 2.474 ( -7.216 16.281 4.705) 18.419 2.653 ( -6.364 12.775 0.558) 14.283 2.880 ( -5.481 10.586 -8.427) 14.599 2.985 ( -5.554 -7.233 0.504) 9.133 3.057 ( -8.467 -0.427 6.436) 10.644 3.133 ( -6.049 2.980 0.468) 6.759 3.241 ( -6.160 5.041 -2.749) 8.421 3.318 ( -5.012 0.762 3.447) 6.130 3.507 ( -0.497 0.735 2.340) 2.503 3.649 ( 5.905 1.514 -3.629) 7.095 3.822 ( -0.476 -1.018 1.571) 1.932 3.837 ( 4.482 0.050 -1.967) 4.895 4.003 ( 2.638 -0.315 6.499) 7.021 4.139 ( 0.302 -9.635 -3.244) 10.171 4.235 ( -5.757 0.220 -2.541) 6.296 4.394 ( -2.122 1.431 1.225) 2.838 4.531 ( -0.054 -1.673 -0.821) 1.864 4.631 ( -0.579 -1.668 3.703) 4.102 4.655 ( 3.071 4.732 -5.817) 8.104 4.821 ( -2.557 2.743 -1.339) 3.981 5.109 ( -3.879 0.932 -4.402) 5.941 5.166 ( -6.985 -2.997 8.626) 11.497 5.230 ( -10.319 -3.272 1.131) 10.884 5.445 ( -17.416 -2.605 -2.674) 17.811 5.816 ( 4.943 -4.462 -6.353) 9.204 5.829 ( 1.005 -1.657 -0.014) 1.938 6.040 ( 2.544 -2.281 3.847) 5.145 6.420 ( -5.620 0.431 3.054) 6.410 7.123 ( -9.596 1.015 -6.987) 11.914 7.165 ( -19.435 1.127 4.849) 20.063 7.323 ( -14.037 3.546 2.967) 14.779 7.562 ( -6.277 -4.757 -0.597) 7.899 7.725 ( -4.118 -5.045 8.029) 10.338 7.908 ( -22.760 -3.300 -8.748) 24.605 8.265 ( -1.455 -3.550 -0.452) 3.863 8.473 ( -0.493 2.833 -10.704) 11.083 8.559 ( -22.217 1.877 5.134) 22.880 8.760 ( -6.426 -3.684 0.813) 7.452 9.615 ( 13.141 -2.795 -2.288) 13.628 9.710 ( 8.697 -3.417 1.880) 9.532 9.914 ( 15.508 -3.582 4.799) 16.624 10.223 ( 2.563 -7.381 1.441) 7.945 11.127 ( -0.474 -4.427 -1.425) 4.674 11.313 ( -10.368 -4.302 -1.479) 11.322 11.610 ( 6.536 2.309 4.653) 8.349 11.676 ( 5.780 2.933 -7.385) 9.826 12.030 ( 8.033 4.278 2.422) 9.418 12.106 ( -17.576 1.481 -0.282) 17.640 12.337 ( -5.445 -2.718 1.701) 6.319 12.514 ( 19.685 4.012 -1.164) 20.123 12.650 ( 7.539 0.024 0.019) 7.539 12.997 ( 9.324 -6.126 1.973) 11.330 14.508 ( -2.844 -1.571 -5.752) 6.606 14.684 ( -12.187 -4.916 3.634) 13.634 16.008 ( 0.710 0.040 2.856) 2.943 16.065 ( -2.085 0.101 -1.948) 2.855 21.824 ( -0.983 0.332 -3.979) 4.112 21.988 ( -3.153 4.434 4.128) 6.830 22.276 ( -4.370 4.985 3.003) 7.278 22.444 ( -5.991 1.059 -4.041) 7.304 22.516 ( -7.453 -2.985 3.045) 8.587 22.785 ( 1.917 4.808 -3.400) 6.193 24.120 ( 13.848 -5.979 0.638) 15.097 24.450 ( 19.057 -0.377 -0.754) 19.075 25.641 ( -22.814 -4.529 0.013) 23.259 25.917 ( -17.086 -7.267 -0.320) 18.570 28.022 ( 0.119 -3.692 6.028) 7.070 28.162 ( 7.688 -1.371 -2.802) 8.297 ======================= Grid point 19 (14/117) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -20.329 20.000 -11.797) 30.861 1.043 ( -24.885 18.196 0.343) 30.830 1.671 ( -7.483 40.168 7.572) 41.555 1.954 ( -3.541 7.863 6.451) 10.770 2.159 ( -4.202 11.039 -4.789) 12.746 2.400 ( -7.498 17.159 0.970) 18.751 2.641 ( -4.049 17.068 -6.434) 18.685 2.845 ( -8.454 -5.008 0.026) 9.826 2.964 ( -5.409 5.168 6.665) 10.019 3.118 ( 2.120 -4.304 0.474) 4.821 3.166 ( -5.107 -3.725 -2.579) 6.827 3.247 ( -1.971 1.185 0.451) 2.344 3.519 ( 1.538 -0.746 0.733) 1.860 3.691 ( -0.510 1.082 -1.111) 1.632 3.814 ( -1.154 0.999 0.437) 1.588 3.872 ( 2.351 3.456 0.573) 4.219 4.065 ( 4.366 1.228 3.377) 5.655 4.151 ( -0.317 1.182 -1.264) 1.759 4.259 ( 0.554 -6.001 -1.480) 6.206 4.349 ( -2.204 -6.711 1.720) 7.270 4.551 ( -5.689 -7.970 -0.798) 9.824 4.635 ( -0.982 -5.552 0.505) 5.660 4.707 ( 1.570 3.971 -4.423) 6.148 4.751 ( -2.357 -2.710 -0.269) 3.602 4.995 ( -9.796 -1.199 1.261) 9.949 5.066 ( -3.293 0.415 -2.128) 3.942 5.099 ( -4.517 -0.012 4.120) 6.114 5.205 ( -10.488 0.479 -1.202) 10.567 5.853 ( 1.210 -1.202 -1.023) 1.988 6.065 ( 15.801 -4.639 -4.418) 17.051 6.199 ( 13.647 -1.491 5.085) 14.640 6.270 ( -8.773 -0.130 -1.797) 8.956 6.874 ( -11.110 0.050 7.291) 13.289 6.926 ( -12.188 -0.169 -0.260) 12.192 7.135 ( -7.643 2.213 -4.715) 9.249 7.369 ( -16.161 2.199 -2.731) 16.537 7.593 ( -6.025 -3.542 -3.715) 7.915 7.792 ( -0.564 -2.810 3.103) 4.224 8.129 ( -18.720 -3.226 2.209) 19.124 8.422 ( 8.421 0.541 4.890) 9.753 8.512 ( 8.758 1.707 -8.982) 12.660 8.682 ( -5.666 -3.139 -0.256) 6.483 9.821 ( 5.695 -5.976 0.934) 8.308 9.951 ( 14.683 -0.421 0.640) 14.703 10.204 ( 11.997 -2.280 0.830) 12.240 10.328 ( 3.091 -5.920 2.283) 7.058 11.102 ( -10.480 -5.402 1.362) 11.868 11.211 ( -1.692 -5.482 -2.002) 6.077 11.555 ( -18.504 -2.130 -1.114) 18.660 11.724 ( 1.865 2.820 -5.444) 6.409 11.787 ( -7.339 0.631 4.368) 8.564 12.099 ( 2.955 1.511 -2.335) 4.059 12.254 ( -5.168 -1.639 4.203) 6.860 12.558 ( 1.019 7.252 1.074) 7.402 13.029 ( 22.418 0.160 -4.505) 22.866 13.301 ( 14.696 -5.067 3.448) 15.923 14.462 ( -4.290 -0.965 -0.963) 4.501 14.518 ( -8.732 -2.207 -0.971) 9.059 15.988 ( -2.610 -2.166 -1.057) 3.552 16.056 ( 2.097 2.503 2.097) 3.880 21.796 ( -2.125 -0.039 -5.298) 5.708 21.880 ( -4.343 2.624 2.012) 5.459 22.173 ( -2.466 5.502 2.557) 6.549 22.324 ( -13.759 -4.656 1.183) 14.574 22.359 ( -9.708 -3.324 1.675) 10.397 22.767 ( 1.174 4.629 -2.821) 5.547 24.375 ( 8.436 -5.592 -0.015) 10.121 24.764 ( 14.395 -0.834 -1.505) 14.498 25.306 ( -18.502 -3.566 -0.857) 18.862 25.720 ( -10.558 -5.050 -0.458) 11.712 28.027 ( -3.953 -3.760 10.630) 11.948 28.312 ( 6.680 -1.983 -2.907) 7.550 ======================= Grid point 20 (15/117) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 0.000 22.616 0.000) 22.616 0.555 ( 0.000 30.111 0.000) 30.111 1.080 ( 0.000 57.095 0.000) 57.095 1.887 ( 0.000 2.281 0.000) 2.281 2.038 ( 0.000 8.760 0.000) 8.760 2.243 ( 0.000 11.990 0.000) 11.990 2.443 ( 0.000 14.838 0.000) 14.838 2.785 ( -0.000 -2.690 -0.000) 2.690 2.869 ( 0.000 5.011 0.000) 5.011 3.086 ( -0.000 -0.360 -0.000) 0.360 3.180 ( -0.000 -3.267 -0.000) 3.267 3.232 ( 0.000 0.020 0.000) 0.020 3.565 ( -0.000 -2.649 -0.000) 2.649 3.653 ( 0.000 2.603 0.000) 2.603 3.771 ( 0.000 3.339 0.000) 3.339 3.883 ( 0.000 0.317 0.000) 0.317 4.143 ( -0.000 -1.241 -0.000) 1.241 4.224 ( 0.000 1.145 0.000) 1.145 4.242 ( -0.000 -1.762 -0.000) 1.762 4.303 ( 0.000 1.781 0.000) 1.781 4.443 ( -0.000 -7.472 -0.000) 7.472 4.691 ( -0.000 -3.262 -0.000) 3.262 4.698 ( -0.000 -9.028 -0.000) 9.028 4.784 ( 0.000 2.271 0.000) 2.271 4.918 ( 0.000 1.706 0.000) 1.706 5.032 ( 0.000 0.536 0.000) 0.536 5.037 ( 0.000 1.409 0.000) 1.409 5.101 ( 0.000 1.056 0.000) 1.056 5.873 ( -0.000 -0.359 -0.000) 0.359 6.173 ( 0.000 0.296 0.000) 0.296 6.354 ( -0.000 -7.651 -0.000) 7.651 6.478 ( -0.000 -1.830 -0.000) 1.830 6.671 ( -0.000 -2.683 -0.000) 2.683 6.841 ( 0.000 0.091 0.000) 0.091 6.991 ( -0.000 -0.672 -0.000) 0.672 7.185 ( 0.000 8.109 0.000) 8.109 7.571 ( -0.000 -2.272 -0.000) 2.272 7.807 ( -0.000 -1.524 -0.000) 1.524 7.960 ( -0.000 -2.227 -0.000) 2.227 8.519 ( -0.000 -1.485 -0.000) 1.485 8.622 ( -0.000 -3.711 -0.000) 3.711 8.788 ( -0.000 -6.970 -0.000) 6.970 9.929 ( -0.000 -5.746 -0.000) 5.746 10.119 ( -0.000 -0.360 -0.000) 0.360 10.323 ( -0.000 -0.461 -0.000) 0.461 10.443 ( -0.000 -2.340 -0.000) 2.340 11.000 ( 0.000 0.604 0.000) 0.604 11.111 ( -0.000 -3.682 -0.000) 3.682 11.346 ( -0.000 -4.423 -0.000) 4.423 11.708 ( 0.000 2.063 0.000) 2.063 11.744 ( 0.000 3.127 0.000) 3.127 12.132 ( -0.000 -1.391 -0.000) 1.391 12.211 ( -0.000 -0.721 -0.000) 0.721 12.498 ( 0.000 7.263 0.000) 7.263 13.250 ( 0.000 0.506 0.000) 0.506 13.488 ( -0.000 -3.637 -0.000) 3.637 14.409 ( -0.000 -3.835 -0.000) 3.835 14.467 ( 0.000 1.996 0.000) 1.996 15.989 ( -0.000 -2.609 -0.000) 2.609 16.077 ( 0.000 1.791 0.000) 1.791 21.732 ( 0.000 0.893 0.000) 0.893 21.821 ( 0.000 1.065 0.000) 1.065 22.046 ( -0.000 -0.415 -0.000) 0.415 22.110 ( 0.000 6.959 0.000) 6.959 22.315 ( -0.000 -0.881 -0.000) 0.881 22.740 ( 0.000 3.277 0.000) 3.277 24.501 ( -0.000 -4.057 -0.000) 4.057 24.900 ( -0.000 -1.655 -0.000) 1.655 25.122 ( 0.000 0.430 0.000) 0.430 25.668 ( -0.000 -2.610 -0.000) 2.610 27.975 ( -0.000 -0.043 -0.000) 0.043 28.395 ( -0.000 -1.818 -0.000) 1.818 ======================= Grid point 23 (16/117) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 18.410 -0.000 -7.842) 20.010 1.771 ( 12.068 -0.000 -15.231) 19.432 2.058 ( 11.870 -0.000 -1.206) 11.931 2.320 ( -0.428 0.000 -6.739) 6.752 2.371 ( 12.443 -0.000 17.901) 21.801 2.537 ( -2.906 0.000 3.350) 4.435 2.967 ( 10.542 -0.000 5.301) 11.800 3.056 ( -4.419 0.000 0.356) 4.433 3.185 ( 2.851 -0.000 -0.224) 2.860 3.275 ( -2.277 0.000 -0.342) 2.302 3.476 ( 4.919 -0.000 1.723) 5.212 3.583 ( -3.598 0.000 0.939) 3.719 3.613 ( 1.700 -0.000 -1.892) 2.544 3.653 ( 4.556 -0.000 -3.323) 5.640 3.916 ( 9.208 -0.000 6.647) 11.357 3.960 ( 2.730 -0.000 -9.093) 9.494 3.978 ( 1.306 -0.000 -3.677) 3.902 4.183 ( 2.010 -0.000 0.729) 2.138 4.347 ( -7.145 0.000 -2.321) 7.513 4.389 ( 0.437 -0.000 2.130) 2.174 4.393 ( 2.289 -0.000 2.075) 3.090 4.469 ( 1.649 -0.000 7.773) 7.946 4.621 ( -0.292 0.000 -6.060) 6.067 5.024 ( 3.962 -0.000 1.855) 4.375 5.048 ( -2.315 0.000 4.852) 5.376 5.286 ( -2.775 0.000 8.632) 9.067 5.510 ( -0.762 0.000 -5.503) 5.556 5.781 ( 10.054 -0.000 -5.635) 11.526 5.842 ( 0.122 -0.000 0.496) 0.511 6.122 ( 7.219 -0.000 -0.756) 7.259 6.243 ( 2.218 -0.000 -8.965) 9.235 6.470 ( -2.091 0.000 6.078) 6.427 7.141 ( 2.492 -0.000 3.857) 4.592 7.536 ( -5.495 0.000 1.865) 5.802 7.647 ( 1.648 -0.000 -4.662) 4.945 7.868 ( 2.836 -0.000 -2.162) 3.566 8.406 ( 15.368 -0.000 1.513) 15.442 8.499 ( 26.331 -0.000 -2.088) 26.413 8.603 ( 9.638 -0.000 0.066) 9.638 8.995 ( 18.053 -0.000 -3.790) 18.447 9.014 ( 18.726 -0.000 8.120) 20.411 9.218 ( -8.854 0.000 -0.725) 8.883 9.407 ( 19.252 -0.000 2.595) 19.426 9.541 ( -13.038 0.000 0.066) 13.039 9.642 ( 1.004 -0.000 -1.462) 1.774 10.058 ( -5.951 0.000 1.292) 6.090 10.623 ( -41.832 0.000 3.978) 42.020 10.646 ( -29.019 0.000 -8.583) 30.262 11.505 ( 0.630 -0.000 1.454) 1.585 11.755 ( 0.557 -0.000 -8.210) 8.229 11.897 ( -2.215 0.000 7.579) 7.897 11.948 ( 2.546 -0.000 4.278) 4.978 12.204 ( 2.844 -0.000 -2.308) 3.662 12.293 ( -5.380 0.000 1.935) 5.718 12.808 ( 4.031 -0.000 -0.422) 4.054 13.099 ( 4.903 -0.000 -3.634) 6.103 14.823 ( 1.376 -0.000 3.540) 3.798 15.058 ( 3.482 -0.000 -2.733) 4.426 15.887 ( -3.970 0.000 -1.883) 4.394 16.089 ( -1.057 0.000 1.753) 2.048 21.845 ( -2.150 0.000 -4.608) 5.085 21.901 ( 3.861 -0.000 6.303) 7.391 22.382 ( 8.225 -0.000 -6.423) 10.436 22.593 ( -0.757 0.000 2.211) 2.337 22.634 ( -0.097 0.000 2.557) 2.559 22.720 ( 7.536 -0.000 1.726) 7.731 23.746 ( -14.725 0.000 0.263) 14.728 23.823 ( -9.619 0.000 -1.803) 9.786 26.385 ( 9.306 -0.000 2.001) 9.519 26.499 ( 4.845 -0.000 -2.910) 5.651 27.895 ( -5.140 0.000 0.481) 5.162 28.068 ( -4.069 0.000 -0.134) 4.071 ======================= Grid point 24 (17/117) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 10.197 2.621 -1.512) 10.637 1.991 ( 6.828 -8.480 -7.590) 13.272 2.194 ( 2.832 1.798 -0.859) 3.463 2.263 ( -2.628 -3.551 -1.089) 4.550 2.470 ( 3.300 1.900 -3.467) 5.150 2.644 ( 9.754 -4.162 6.428) 12.401 3.047 ( 5.813 5.398 3.264) 8.578 3.137 ( 6.243 -1.422 1.553) 6.589 3.211 ( 0.468 1.205 0.459) 1.372 3.266 ( -0.041 -3.679 -1.500) 3.973 3.444 ( -6.962 8.855 1.020) 11.310 3.511 ( 0.927 3.705 2.334) 4.476 3.635 ( 0.873 -1.139 -1.883) 2.367 3.704 ( -0.040 -1.309 -1.746) 2.183 3.906 ( -5.923 0.752 6.542) 8.857 3.982 ( -3.226 0.275 -1.638) 3.629 4.029 ( 3.496 -2.970 -9.481) 10.532 4.151 ( -0.408 8.093 1.125) 8.181 4.358 ( 5.567 -2.238 -0.989) 6.081 4.437 ( 3.516 -2.032 1.053) 4.195 4.445 ( -0.485 -7.218 -1.673) 7.425 4.523 ( 2.662 -1.246 7.501) 8.057 4.676 ( 7.220 1.893 -3.574) 8.275 4.935 ( -2.319 9.670 2.883) 10.353 5.130 ( 0.583 -7.855 2.343) 8.218 5.237 ( -3.327 -1.674 5.300) 6.478 5.482 ( -2.078 -0.975 -4.607) 5.147 5.799 ( -4.875 2.283 1.225) 5.521 5.973 ( 10.150 -0.040 -4.169) 10.973 6.185 ( 1.109 2.301 0.007) 2.554 6.208 ( -6.669 -0.425 0.900) 6.742 6.434 ( -0.738 0.065 -1.749) 1.899 7.198 ( 2.843 -2.032 1.702) 3.887 7.419 ( -6.652 0.901 3.724) 7.677 7.626 ( -4.572 -2.785 -5.117) 7.406 7.870 ( -2.052 0.290 -1.143) 2.367 8.576 ( 4.349 0.093 2.769) 5.156 8.634 ( 1.465 0.760 -5.198) 5.454 8.898 ( 7.499 -1.822 -1.562) 7.874 9.045 ( -8.760 -0.266 -0.365) 8.771 9.112 ( -8.172 0.196 0.989) 8.234 9.259 ( -12.133 1.450 7.751) 14.470 9.348 ( 8.745 1.173 0.202) 8.826 9.643 ( 7.713 -0.465 0.435) 7.739 9.854 ( -42.918 -0.389 3.075) 43.030 9.956 ( 36.677 1.068 -2.079) 36.752 10.079 ( -14.644 -1.338 -2.876) 14.984 10.285 ( 14.082 -0.059 -3.743) 14.571 11.422 ( -7.700 0.070 5.180) 9.280 11.820 ( 7.171 4.198 -10.837) 13.656 11.869 ( -0.612 4.678 -0.633) 4.760 11.942 ( -1.653 0.831 0.425) 1.898 12.204 ( -0.849 -0.509 5.135) 5.230 12.309 ( 0.113 -8.951 4.695) 10.108 12.827 ( -2.452 -1.550 3.499) 4.545 13.167 ( 3.048 2.353 -5.768) 6.936 14.773 ( -6.739 0.250 -0.239) 6.748 15.049 ( -4.502 -0.310 -0.146) 4.515 15.856 ( 1.462 0.946 0.856) 1.940 16.083 ( 0.422 -0.296 -0.496) 0.715 21.818 ( -1.457 -1.654 -4.584) 5.086 21.980 ( 4.469 -0.067 6.980) 8.288 22.513 ( 5.473 -0.787 -6.915) 8.854 22.592 ( 1.949 1.514 1.343) 2.809 22.649 ( 0.043 -1.166 3.441) 3.634 22.833 ( 5.643 1.766 0.202) 5.916 23.539 ( -6.367 1.928 -0.229) 6.657 23.742 ( 0.002 -1.358 -0.162) 1.367 26.429 ( -4.522 -0.151 3.432) 5.679 26.504 ( -4.394 -0.051 -3.990) 5.935 27.841 ( -0.741 -0.158 -2.480) 2.593 27.997 ( -3.386 0.209 2.920) 4.477 ======================= Grid point 25 (18/117) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -3.051 3.754 2.936) 5.659 2.020 ( -8.679 -4.255 -0.381) 9.673 2.281 ( 7.455 -1.464 -3.458) 8.348 2.324 ( 11.179 4.111 -2.738) 12.222 2.634 ( 6.500 -10.174 -4.002) 12.719 2.805 ( 3.599 -4.319 3.145) 6.442 3.001 ( -6.175 11.076 -2.153) 12.863 3.206 ( -4.596 9.929 3.117) 11.377 3.214 ( 4.467 2.543 1.524) 5.361 3.270 ( 5.618 5.248 -1.116) 7.769 3.303 ( -0.057 -5.671 -1.154) 5.788 3.466 ( -1.275 4.466 0.726) 4.701 3.641 ( 0.005 2.610 0.431) 2.645 3.707 ( -0.077 1.948 0.016) 1.950 3.800 ( -5.906 -7.429 2.715) 9.871 3.910 ( -3.975 -0.153 1.580) 4.280 4.086 ( 2.569 8.654 0.536) 9.043 4.118 ( -0.503 -4.230 -5.483) 6.943 4.408 ( 0.844 -0.377 1.522) 1.780 4.457 ( -2.487 -1.989 -5.685) 6.516 4.554 ( 4.521 0.192 -4.065) 6.083 4.602 ( 3.518 -3.431 8.998) 10.252 4.778 ( 5.283 5.686 0.671) 7.790 4.809 ( -0.676 6.658 -0.047) 6.692 5.192 ( -1.649 -6.832 1.593) 7.206 5.212 ( -2.530 -4.093 1.599) 5.071 5.466 ( -2.218 -4.718 -0.973) 5.303 5.614 ( -12.140 4.366 2.875) 13.218 5.992 ( -14.954 -0.464 1.797) 15.068 6.092 ( 1.706 1.486 -1.337) 2.628 6.155 ( -1.820 3.974 -2.266) 4.924 6.450 ( 1.837 0.010 -1.565) 2.413 7.259 ( -1.676 -4.734 2.828) 5.764 7.329 ( -0.082 1.219 0.473) 1.310 7.551 ( -7.310 -4.981 -2.945) 9.323 7.793 ( -7.313 -1.545 -1.519) 7.627 8.479 ( -15.403 1.055 -2.246) 15.602 8.557 ( -25.768 0.642 -0.226) 25.777 8.710 ( -5.309 0.900 -6.945) 8.788 8.849 ( -10.026 -1.239 5.923) 11.711 8.871 ( -24.684 -2.272 4.520) 25.197 9.218 ( -7.582 1.773 2.871) 8.299 9.305 ( 1.897 -1.286 2.272) 3.227 9.461 ( -0.406 -0.477 2.020) 2.115 9.564 ( -16.233 -1.668 -7.598) 18.001 9.912 ( 4.542 -1.466 -0.923) 4.861 10.702 ( 40.497 0.857 -4.010) 40.704 10.798 ( 33.908 1.274 3.864) 34.152 11.295 ( -5.648 -0.908 3.275) 6.592 11.777 ( -2.230 6.806 -7.345) 10.259 11.832 ( -1.537 1.583 1.022) 2.432 11.985 ( 8.059 1.542 -7.941) 11.418 12.233 ( 1.426 -2.314 7.338) 7.825 12.377 ( -1.628 -7.151 6.564) 9.843 12.768 ( -6.683 -3.395 6.765) 10.097 13.121 ( -5.626 3.597 -7.906) 10.349 14.625 ( -8.427 -0.807 -3.762) 9.264 14.924 ( -10.218 -2.185 2.086) 10.655 15.911 ( 5.277 1.677 3.564) 6.585 16.099 ( 0.656 -0.368 -2.646) 2.750 21.818 ( -0.491 -1.943 -4.165) 4.622 22.053 ( 3.371 0.231 6.973) 7.749 22.560 ( 0.044 0.319 -1.469) 1.504 22.621 ( 0.418 0.825 -2.406) 2.578 22.639 ( -0.532 1.575 1.441) 2.200 22.882 ( 3.734 4.896 -1.128) 6.260 23.524 ( 5.439 -1.109 0.152) 5.552 23.848 ( 10.221 -1.175 0.570) 10.304 26.247 ( -16.301 -1.735 3.171) 16.697 26.343 ( -14.308 -1.822 -3.636) 14.875 27.868 ( 3.349 -0.126 -3.262) 4.676 27.964 ( -0.553 -1.021 3.790) 3.964 ======================= Grid point 26 (19/117) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -3.753 5.015 1.650) 6.477 1.910 ( -4.482 -0.561 -2.702) 5.264 2.394 ( -0.648 11.874 -9.428) 15.176 2.446 ( 3.432 1.908 2.289) 4.545 2.613 ( -0.338 5.827 4.961) 7.660 2.858 ( 1.182 -7.046 2.438) 7.549 2.944 ( 0.591 -1.695 -2.871) 3.386 3.049 ( -4.597 6.857 1.130) 8.333 3.224 ( -2.870 4.945 -3.007) 6.460 3.257 ( 2.319 3.243 2.404) 4.655 3.396 ( -1.850 -2.142 -1.808) 3.358 3.414 ( 2.585 0.165 0.768) 2.702 3.606 ( 0.876 4.533 4.335) 6.333 3.687 ( 2.981 5.315 -1.683) 6.322 3.823 ( -4.146 -10.286 1.957) 11.262 3.870 ( 0.159 -0.936 0.817) 1.253 4.013 ( -8.137 10.808 -0.592) 13.542 4.058 ( 2.271 6.507 1.473) 7.048 4.377 ( -4.965 -0.008 -2.923) 5.761 4.461 ( 2.274 2.117 -2.355) 3.898 4.577 ( -1.686 -0.320 -5.564) 5.823 4.620 ( -0.573 1.816 3.210) 3.733 4.762 ( 1.115 2.701 -0.132) 2.925 4.847 ( 4.451 1.807 1.882) 5.159 5.185 ( -4.463 -2.890 2.134) 5.729 5.210 ( -3.502 -6.277 2.136) 7.498 5.336 ( -11.695 5.118 1.338) 12.836 5.496 ( -5.022 -11.010 2.050) 12.274 5.723 ( -13.802 -1.154 -1.502) 13.932 5.978 ( -9.635 3.496 2.023) 10.447 6.091 ( -1.410 4.706 -6.765) 8.361 6.471 ( 0.211 0.328 2.090) 2.126 7.238 ( -1.765 -0.598 -0.475) 1.923 7.358 ( -2.061 -3.210 0.947) 3.931 7.480 ( -6.794 -6.760 3.407) 10.172 7.634 ( -12.608 -2.536 -3.495) 13.327 7.935 ( -34.254 0.523 2.312) 34.336 8.158 ( -19.125 -2.083 -3.615) 19.575 8.419 ( -26.038 -3.420 1.877) 26.329 8.586 ( -3.959 1.907 -6.935) 8.210 8.778 ( -5.544 -2.073 0.236) 5.923 9.003 ( -22.147 0.871 2.512) 22.306 9.376 ( 6.607 -1.394 -3.674) 7.687 9.454 ( 9.614 -2.950 4.550) 11.037 9.601 ( 6.946 -2.944 3.447) 8.294 10.020 ( 3.843 -2.864 -2.229) 5.286 11.068 ( 0.164 -0.125 1.352) 1.367 11.260 ( 10.525 -2.408 -3.942) 11.494 11.438 ( 20.488 1.314 6.121) 21.423 11.708 ( 3.501 6.203 -7.683) 10.477 11.890 ( 13.646 1.538 0.141) 13.733 12.164 ( 13.987 0.004 -9.398) 16.851 12.282 ( 2.770 -0.530 6.379) 6.974 12.369 ( -5.940 -2.993 8.156) 10.524 12.660 ( -9.033 -3.615 9.992) 13.946 12.928 ( -10.910 -0.029 -9.752) 14.633 14.530 ( -2.558 -0.116 -5.721) 6.268 14.754 ( -12.163 -4.395 3.485) 13.394 15.988 ( 4.417 1.748 4.513) 6.553 16.095 ( -1.594 -0.517 -3.399) 3.790 21.827 ( -0.004 -1.048 -3.247) 3.412 22.089 ( 0.818 0.921 5.493) 5.629 22.484 ( -6.967 2.861 3.186) 8.177 22.575 ( -4.250 -0.626 -3.255) 5.390 22.614 ( -0.370 4.320 -1.956) 4.757 22.896 ( 4.352 6.921 -1.240) 8.269 23.721 ( 12.363 -4.773 0.383) 13.258 24.102 ( 16.550 -1.242 0.360) 16.600 25.927 ( -21.629 -3.118 1.989) 21.942 26.062 ( -19.539 -4.874 -2.349) 20.274 27.933 ( 3.020 -0.419 0.443) 3.081 28.009 ( 4.121 -2.034 0.354) 4.609 ======================= Grid point 27 (20/117) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -7.602 7.500 -4.849) 11.728 1.877 ( 0.790 9.468 -0.112) 9.502 1.985 ( -13.967 14.925 -1.444) 20.491 2.506 ( 3.060 10.069 -2.678) 10.859 2.685 ( 6.363 8.536 4.319) 11.490 2.792 ( -12.125 -0.102 1.034) 12.169 2.871 ( -7.168 -1.772 1.708) 7.579 2.990 ( 0.385 0.861 1.908) 2.129 3.117 ( -2.207 7.147 -6.837) 10.134 3.211 ( -4.768 4.429 4.505) 7.915 3.320 ( -5.435 1.408 0.017) 5.615 3.449 ( 1.545 5.214 2.097) 5.829 3.626 ( -5.352 12.506 6.830) 15.221 3.640 ( 2.431 -1.679 0.996) 3.118 3.773 ( 2.241 6.096 -7.402) 9.848 3.860 ( -0.329 -6.850 -0.695) 6.893 3.925 ( 2.323 -2.432 0.218) 3.370 4.059 ( 2.504 2.966 4.440) 5.898 4.268 ( -5.635 2.277 -3.569) 7.048 4.417 ( -5.627 0.580 -0.087) 5.657 4.523 ( -3.125 1.102 -2.773) 4.321 4.615 ( 0.263 -0.850 0.752) 1.165 4.753 ( 1.178 3.848 -1.062) 4.162 4.873 ( 0.234 3.787 -0.689) 3.856 5.096 ( -7.146 -2.334 7.197) 10.407 5.160 ( -4.941 1.819 2.184) 5.700 5.181 ( -6.014 -1.174 -2.828) 6.749 5.372 ( -13.738 -6.477 -3.697) 15.632 5.677 ( 1.790 -7.915 0.909) 8.165 5.809 ( -4.677 -0.862 -0.998) 4.860 6.049 ( 2.529 2.737 -4.709) 6.005 6.431 ( -5.219 0.704 4.662) 7.033 7.133 ( -17.068 0.390 -5.895) 18.062 7.189 ( -12.267 1.126 6.269) 13.822 7.361 ( -9.243 0.182 4.897) 10.461 7.470 ( -7.527 -4.662 -4.732) 10.038 7.618 ( -6.618 -5.955 7.068) 11.368 7.822 ( -21.986 -5.966 -9.332) 24.618 8.170 ( -6.543 -5.560 0.617) 8.609 8.507 ( -3.285 0.654 -8.784) 9.401 8.572 ( -23.489 -0.942 4.249) 23.889 8.694 ( -6.176 -2.880 1.045) 6.894 9.564 ( 9.440 -2.396 -0.817) 9.773 9.661 ( 12.227 -2.159 -0.717) 12.437 9.850 ( 17.069 -3.132 7.322) 18.835 10.096 ( 0.795 -5.972 -0.370) 6.036 11.046 ( -2.471 -4.235 -0.978) 5.000 11.217 ( -13.456 -5.926 -1.996) 14.838 11.642 ( 5.729 1.934 4.744) 7.686 11.786 ( 9.372 7.606 -8.033) 14.499 12.099 ( -18.261 0.749 9.596) 20.643 12.135 ( 2.804 4.046 -4.175) 6.455 12.276 ( -3.294 -3.439 0.118) 4.763 12.571 ( 27.899 1.389 -5.064) 28.389 12.641 ( 2.825 -0.729 4.248) 5.153 12.883 ( 7.294 -5.899 0.476) 9.393 14.506 ( -1.493 0.514 -3.111) 3.489 14.591 ( -10.101 -4.374 0.973) 11.050 16.006 ( -2.614 -0.215 -0.866) 2.762 16.077 ( 1.182 1.066 2.027) 2.578 21.828 ( -0.535 0.052 -2.487) 2.544 22.058 ( -3.214 2.660 3.280) 5.307 22.313 ( -9.422 0.187 2.482) 9.745 22.467 ( -9.078 -1.585 -1.345) 9.312 22.540 ( -1.979 7.425 -1.109) 7.764 22.902 ( 3.774 7.714 -1.498) 8.717 24.002 ( 12.367 -6.908 0.321) 14.169 24.428 ( 18.047 -1.751 -0.441) 18.137 25.570 ( -21.173 -2.871 0.418) 21.370 25.788 ( -16.649 -6.793 -0.525) 17.989 27.976 ( 0.850 -1.421 3.986) 4.316 28.130 ( 6.888 -2.008 -2.499) 7.597 ======================= Grid point 28 (21/117) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -18.658 15.231 -8.386) 25.504 1.477 ( -12.243 25.702 1.378) 28.503 1.966 ( 3.729 3.459 3.276) 6.050 2.342 ( -1.958 19.432 -4.253) 19.989 2.466 ( -8.931 20.448 2.940) 22.506 2.697 ( -1.845 1.159 1.681) 2.752 2.742 ( -8.031 5.989 0.066) 10.018 2.968 ( -0.400 13.363 -5.126) 14.318 3.036 ( 0.432 1.923 12.115) 12.274 3.074 ( -3.542 2.845 -5.929) 7.469 3.174 ( -4.413 4.451 0.506) 6.288 3.359 ( 1.006 13.436 0.620) 13.488 3.514 ( -0.717 0.892 3.177) 3.377 3.704 ( 1.289 -0.646 -2.293) 2.709 3.794 ( 0.359 -1.099 0.477) 1.251 3.955 ( 2.716 0.540 0.645) 2.843 3.997 ( 0.769 -11.921 -0.075) 11.946 4.087 ( 2.325 -0.478 4.228) 4.848 4.175 ( -1.315 0.935 -3.442) 3.801 4.295 ( -6.325 -0.793 -1.187) 6.484 4.466 ( -4.883 -1.782 -0.206) 5.202 4.616 ( -0.477 1.302 0.793) 1.597 4.683 ( -8.653 -1.928 -1.475) 8.987 4.842 ( 5.791 8.644 -2.973) 10.821 4.990 ( -5.109 -0.135 0.531) 5.139 5.080 ( -3.923 -0.398 12.465) 13.074 5.093 ( -1.629 1.026 -7.601) 7.841 5.213 ( -8.624 0.052 -2.627) 9.015 5.801 ( 0.918 -5.222 -2.333) 5.793 5.908 ( 11.192 -10.368 -0.915) 15.284 6.172 ( 12.994 -0.809 -2.865) 13.330 6.279 ( -9.194 0.787 3.726) 9.952 6.880 ( -10.426 0.559 4.492) 11.366 6.914 ( -16.594 -0.888 3.555) 16.994 7.165 ( -13.103 1.194 -7.397) 15.094 7.388 ( -4.861 -0.736 0.936) 5.005 7.518 ( -6.218 -4.314 -3.880) 8.504 7.713 ( -0.987 -5.711 1.224) 5.924 8.055 ( -15.503 -4.366 2.053) 16.236 8.371 ( -0.139 -5.936 3.932) 7.121 8.479 ( -0.462 -3.882 -6.198) 7.328 8.626 ( -3.821 -2.230 -0.511) 4.454 9.721 ( 5.216 -4.575 1.229) 7.046 9.933 ( 13.611 -1.630 -0.670) 13.724 10.131 ( 6.745 -6.011 -2.400) 9.348 10.239 ( 13.527 -2.799 6.495) 15.264 11.002 ( -12.073 -5.880 1.812) 13.550 11.087 ( -1.715 -7.455 -1.996) 7.906 11.537 ( -27.306 -0.507 -1.451) 27.349 11.751 ( 0.344 0.896 -0.414) 1.045 11.854 ( 2.881 5.811 -2.365) 6.904 12.153 ( 1.211 4.093 -0.289) 4.279 12.225 ( -4.177 -1.601 3.055) 5.417 12.645 ( -0.564 1.480 0.269) 1.606 13.045 ( 24.488 1.843 -4.266) 24.925 13.203 ( 16.062 -5.023 3.535) 17.196 14.388 ( -12.033 -5.852 5.407) 14.432 14.535 ( 0.759 2.876 -6.870) 7.486 15.946 ( -3.864 -2.190 -2.071) 4.901 16.103 ( 2.993 2.574 3.146) 5.048 21.799 ( -2.603 0.302 -2.177) 3.406 21.937 ( -5.840 3.227 0.845) 6.726 22.160 ( -11.680 -3.739 3.222) 12.680 22.320 ( -6.343 -1.221 0.653) 6.492 22.417 ( -2.238 10.433 -1.267) 10.745 22.882 ( 2.054 7.798 -1.435) 8.191 24.253 ( 7.823 -7.675 -0.117) 10.960 24.729 ( 12.279 -2.695 -0.997) 12.611 25.266 ( -14.308 -0.975 -0.285) 14.344 25.621 ( -8.418 -5.862 0.388) 10.266 27.988 ( -0.978 -0.997 4.629) 4.835 28.267 ( 5.553 -2.800 -2.222) 6.604 ======================= Grid point 29 (22/117) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 0.000 22.133 0.000) 22.133 1.099 ( 0.000 29.082 0.000) 29.082 1.941 ( 0.000 3.286 0.000) 3.286 2.030 ( 0.000 43.473 0.000) 43.473 2.258 ( 0.000 14.293 0.000) 14.293 2.521 ( 0.000 17.614 0.000) 17.614 2.693 ( -0.000 -3.019 -0.000) 3.019 2.799 ( 0.000 17.523 0.000) 17.523 2.978 ( 0.000 6.109 0.000) 6.109 3.069 ( -0.000 -1.820 -0.000) 1.820 3.138 ( -0.000 -0.453 -0.000) 0.453 3.276 ( 0.000 6.472 0.000) 6.472 3.515 ( -0.000 -2.089 -0.000) 2.089 3.697 ( 0.000 2.063 0.000) 2.063 3.802 ( -0.000 -0.458 -0.000) 0.458 3.926 ( 0.000 4.681 0.000) 4.681 4.124 ( -0.000 -1.202 -0.000) 1.202 4.168 ( -0.000 -15.490 -0.000) 15.490 4.195 ( -0.000 -3.526 -0.000) 3.526 4.278 ( -0.000 -0.673 -0.000) 0.673 4.332 ( 0.000 1.115 0.000) 1.115 4.603 ( -0.000 -0.613 -0.000) 0.613 4.629 ( -0.000 -3.275 -0.000) 3.275 4.855 ( 0.000 6.109 0.000) 6.109 4.946 ( 0.000 0.991 0.000) 0.991 5.039 ( 0.000 0.149 0.000) 0.149 5.074 ( 0.000 2.481 0.000) 2.481 5.108 ( -0.000 -0.014 -0.000) 0.014 5.847 ( -0.000 -2.905 -0.000) 2.905 6.164 ( -0.000 -12.547 -0.000) 12.547 6.181 ( 0.000 0.518 0.000) 0.518 6.446 ( -0.000 -1.430 -0.000) 1.430 6.609 ( -0.000 -3.779 -0.000) 3.779 6.836 ( -0.000 -0.339 -0.000) 0.339 7.001 ( 0.000 1.249 0.000) 1.249 7.320 ( 0.000 5.710 0.000) 5.710 7.509 ( -0.000 -4.420 -0.000) 4.420 7.755 ( -0.000 -4.369 -0.000) 4.369 7.912 ( -0.000 -2.575 -0.000) 2.575 8.466 ( -0.000 -5.675 -0.000) 5.675 8.527 ( -0.000 -6.405 -0.000) 6.405 8.643 ( -0.000 -6.720 -0.000) 6.720 9.819 ( -0.000 -5.552 -0.000) 5.552 10.078 ( -0.000 -4.381 -0.000) 4.381 10.289 ( -0.000 -3.395 -0.000) 3.395 10.407 ( -0.000 -1.274 -0.000) 1.274 11.013 ( 0.000 0.768 0.000) 0.768 11.018 ( -0.000 -6.059 -0.000) 6.059 11.232 ( -0.000 -7.748 -0.000) 7.748 11.755 ( 0.000 2.832 0.000) 2.832 11.826 ( 0.000 5.633 0.000) 5.633 12.139 ( 0.000 2.251 0.000) 2.251 12.192 ( -0.000 -1.405 -0.000) 1.405 12.614 ( 0.000 4.214 0.000) 4.214 13.273 ( 0.000 2.142 0.000) 2.142 13.406 ( -0.000 -4.821 -0.000) 4.821 14.311 ( -0.000 -6.445 -0.000) 6.445 14.516 ( 0.000 3.163 0.000) 3.163 15.935 ( -0.000 -3.048 -0.000) 3.048 16.117 ( 0.000 2.426 0.000) 2.426 21.750 ( 0.000 0.885 0.000) 0.885 21.850 ( 0.000 2.009 0.000) 2.009 22.035 ( -0.000 -0.767 -0.000) 0.767 22.285 ( 0.000 11.669 0.000) 11.669 22.291 ( -0.000 -1.601 -0.000) 1.601 22.833 ( 0.000 6.747 0.000) 6.747 24.396 ( -0.000 -7.234 -0.000) 7.234 24.861 ( -0.000 -2.592 -0.000) 2.592 25.131 ( 0.000 0.597 0.000) 0.597 25.600 ( -0.000 -4.744 -0.000) 4.744 27.976 ( 0.000 0.108 0.000) 0.108 28.349 ( -0.000 -3.100 -0.000) 3.100 ======================= Grid point 34 (23/117) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -4.350 0.000 2.367) 4.952 1.954 ( -4.256 0.000 1.096) 4.394 2.273 ( 8.208 -0.000 -9.779) 12.767 2.331 ( 10.038 -0.000 1.496) 10.149 2.569 ( 7.049 -0.000 -2.566) 7.502 2.755 ( 4.224 -0.000 2.701) 5.014 3.166 ( -5.557 0.000 0.235) 5.562 3.188 ( 2.870 -0.000 -1.139) 3.087 3.241 ( 2.156 -0.000 -0.760) 2.286 3.292 ( 7.454 -0.000 0.652) 7.483 3.392 ( -4.425 0.000 2.684) 5.175 3.570 ( 1.651 -0.000 1.430) 2.184 3.606 ( -3.200 0.000 -2.186) 3.875 3.610 ( -5.192 0.000 1.329) 5.359 3.792 ( -3.587 0.000 2.574) 4.415 3.902 ( -4.746 0.000 1.211) 4.898 4.064 ( 3.868 -0.000 -11.026) 11.685 4.239 ( 1.147 -0.000 2.446) 2.702 4.324 ( -1.919 0.000 0.299) 1.942 4.456 ( 1.839 -0.000 0.578) 1.928 4.547 ( 7.486 -0.000 -3.190) 8.137 4.571 ( 2.859 -0.000 6.536) 7.134 4.833 ( 8.361 -0.000 -0.358) 8.368 4.934 ( -3.959 0.000 2.770) 4.832 5.073 ( -2.083 0.000 0.940) 2.285 5.178 ( -2.666 0.000 -0.040) 2.666 5.423 ( -3.444 0.000 -0.734) 3.521 5.655 ( -12.737 0.000 3.387) 13.180 5.987 ( -15.596 0.000 2.206) 15.751 6.110 ( 3.502 -0.000 -1.506) 3.812 6.193 ( -1.655 0.000 -3.075) 3.492 6.449 ( 1.918 -0.000 -1.491) 2.429 7.210 ( -1.419 0.000 3.398) 3.683 7.345 ( -0.729 0.000 1.352) 1.536 7.500 ( -7.754 0.000 -4.117) 8.779 7.776 ( -8.533 0.000 -2.560) 8.909 8.489 ( -15.510 0.000 -2.129) 15.655 8.560 ( -27.091 0.000 -0.468) 27.095 8.720 ( -3.521 0.000 -6.556) 7.442 8.837 ( -9.491 0.000 5.949) 11.202 8.851 ( -25.044 0.000 5.182) 25.574 9.241 ( -12.664 0.000 1.601) 12.765 9.291 ( 5.247 -0.000 4.223) 6.736 9.457 ( 2.158 -0.000 2.373) 3.208 9.545 ( -20.751 0.000 -8.020) 22.247 9.899 ( 5.100 -0.000 -1.647) 5.359 10.710 ( 41.524 -0.000 -4.216) 41.737 10.810 ( 33.645 -0.000 3.703) 33.848 11.290 ( -6.210 0.000 2.373) 6.648 11.827 ( -6.840 0.000 -0.695) 6.876 11.865 ( -0.366 0.000 -3.308) 3.328 12.010 ( 8.069 -0.000 -14.987) 17.022 12.252 ( -0.143 0.000 5.692) 5.694 12.255 ( 3.881 -0.000 14.297) 14.814 12.731 ( -7.344 0.000 6.804) 10.011 13.156 ( -6.643 0.000 -8.153) 10.517 14.619 ( -8.260 0.000 -3.960) 9.160 14.903 ( -11.004 0.000 2.336) 11.249 15.929 ( 5.295 -0.000 3.547) 6.373 16.094 ( 0.543 -0.000 -2.655) 2.710 21.798 ( 0.071 -0.000 -4.247) 4.248 22.054 ( 3.371 -0.000 7.637) 8.348 22.561 ( 0.784 -0.000 -4.698) 4.763 22.639 ( -1.645 0.000 4.262) 4.569 22.647 ( 2.650 -0.000 -3.127) 4.099 22.931 ( 4.793 -0.000 -0.422) 4.812 23.513 ( 3.094 -0.000 0.009) 3.094 23.836 ( 10.562 -0.000 0.595) 10.579 26.230 ( -16.920 0.000 3.708) 17.322 26.325 ( -15.265 0.000 -4.293) 15.857 27.868 ( 3.783 -0.000 -3.725) 5.309 27.954 ( -1.439 0.000 4.323) 4.557 ======================= Grid point 35 (24/117) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -3.362 2.033 2.754) 4.798 1.890 ( -2.370 -0.905 -1.348) 2.872 2.430 ( 8.819 0.476 -2.482) 9.174 2.527 ( 9.395 -1.787 0.165) 9.565 2.676 ( 1.195 2.827 -1.173) 3.286 2.781 ( -3.498 -2.034 1.570) 4.340 2.947 ( -6.691 4.513 -5.451) 9.739 3.199 ( -5.289 3.693 0.093) 6.451 3.217 ( -2.817 -2.294 1.182) 3.820 3.334 ( 3.981 6.539 2.174) 7.958 3.427 ( 5.764 0.717 -1.423) 5.980 3.473 ( -4.555 7.102 0.220) 8.440 3.609 ( -1.897 -9.628 1.700) 9.960 3.637 ( 0.718 -2.670 2.554) 3.764 3.785 ( 3.390 2.576 -1.262) 4.441 3.828 ( -3.854 -1.770 1.705) 4.571 4.122 ( 1.982 2.508 -2.461) 4.034 4.204 ( 1.511 7.396 -0.628) 7.575 4.330 ( -2.455 -5.009 -0.611) 5.611 4.498 ( 3.658 1.324 -4.717) 6.114 4.589 ( -3.776 0.912 -5.451) 6.693 4.629 ( 2.540 -0.380 9.509) 9.850 4.825 ( -2.374 6.609 0.909) 7.081 4.934 ( 4.325 3.455 0.025) 5.536 5.047 ( -6.006 -9.383 4.303) 11.943 5.136 ( -3.419 -2.206 -3.698) 5.498 5.373 ( -3.809 -2.482 3.606) 5.803 5.404 ( -12.400 1.897 3.316) 12.975 5.707 ( -14.824 -0.499 -1.109) 14.874 6.029 ( -10.523 1.627 2.171) 10.867 6.162 ( -1.506 2.285 -8.678) 9.099 6.476 ( 0.497 0.130 2.305) 2.362 7.202 ( 0.670 -1.994 4.756) 5.200 7.341 ( -2.864 0.733 -1.883) 3.505 7.379 ( -6.541 -3.675 0.655) 7.531 7.591 ( -12.139 -1.640 -4.417) 13.022 7.945 ( -35.222 0.337 2.817) 35.336 8.120 ( -24.007 -1.481 -5.634) 24.704 8.382 ( -25.415 -0.774 5.914) 26.105 8.606 ( -4.787 0.429 -6.347) 7.961 8.752 ( -5.866 -0.681 0.135) 5.907 9.014 ( -27.059 0.300 1.146) 27.085 9.335 ( 13.766 -1.805 -0.382) 13.889 9.446 ( 5.198 0.878 0.753) 5.325 9.554 ( 7.440 -1.852 5.203) 9.266 9.987 ( 2.973 -0.791 -3.855) 4.932 11.075 ( -4.265 0.667 2.228) 4.858 11.215 ( 7.159 -1.851 -4.969) 8.909 11.456 ( 22.446 0.523 5.704) 23.165 11.816 ( 9.737 4.007 -4.386) 11.406 11.903 ( 10.650 0.276 -4.798) 11.684 12.153 ( 9.785 -0.168 -10.528) 14.374 12.269 ( 0.554 -2.959 5.414) 6.194 12.349 ( 5.571 2.108 13.814) 15.044 12.587 ( -10.124 -3.378 10.673) 15.093 12.930 ( -15.842 0.154 -11.372) 19.502 14.537 ( -0.490 0.479 -6.472) 6.509 14.694 ( -12.999 -1.799 4.188) 13.775 16.019 ( 4.694 1.260 4.960) 6.944 16.083 ( -2.195 -0.687 -3.768) 4.414 21.811 ( 0.923 -0.582 -3.314) 3.489 22.093 ( 0.617 -0.070 6.389) 6.419 22.525 ( -5.367 1.386 -1.354) 5.706 22.564 ( -6.604 -0.428 0.645) 6.649 22.677 ( 1.933 1.988 -3.295) 4.306 23.004 ( 5.333 3.748 0.148) 6.520 23.646 ( 9.959 -2.624 0.195) 10.300 24.084 ( 16.355 -0.574 0.490) 16.373 25.889 ( -20.873 -0.974 2.941) 21.102 25.996 ( -21.431 -2.020 -3.469) 21.804 27.940 ( 2.363 1.042 1.527) 3.000 27.972 ( 4.514 -1.889 -0.827) 4.963 ======================= Grid point 36 (25/117) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -2.213 6.382 -0.876) 6.812 1.917 ( 4.875 -0.021 -1.067) 4.990 2.341 ( -15.355 17.967 -2.205) 23.737 2.551 ( 3.336 -1.494 0.011) 3.655 2.687 ( 2.305 -4.916 1.750) 5.705 2.800 ( -1.470 -2.038 1.921) 3.163 2.927 ( -2.245 2.482 -1.843) 3.821 2.988 ( -8.344 3.188 -0.955) 8.983 3.205 ( -0.534 -1.626 -0.747) 1.867 3.286 ( -7.848 4.976 0.318) 9.298 3.353 ( 2.029 6.068 4.034) 7.563 3.492 ( 3.278 2.918 -4.497) 6.284 3.632 ( -0.789 -0.188 9.373) 9.409 3.677 ( -1.106 -7.187 -2.209) 7.599 3.802 ( 3.213 4.201 1.899) 5.619 3.869 ( 4.165 -2.823 -3.459) 6.105 4.052 ( -2.492 12.621 1.474) 12.949 4.158 ( 1.217 6.622 1.490) 6.896 4.296 ( -4.010 0.211 -3.127) 5.089 4.403 ( -11.139 -1.586 -1.619) 11.367 4.568 ( 2.889 2.619 -8.208) 9.088 4.636 ( -0.538 4.436 6.422) 7.824 4.780 ( -0.353 1.402 2.561) 2.941 4.958 ( 3.248 3.966 -2.444) 5.679 5.033 ( -5.186 -6.961 4.507) 9.781 5.107 ( -2.309 -6.243 -2.688) 7.179 5.215 ( -8.143 2.393 -0.941) 8.539 5.284 ( -6.688 0.708 4.030) 7.840 5.569 ( -2.391 -4.323 0.263) 4.947 5.801 ( -10.876 -0.042 -0.623) 10.894 6.107 ( 0.001 2.857 -8.078) 8.568 6.443 ( -4.918 0.515 4.875) 6.943 7.142 ( -19.260 0.505 -4.341) 19.750 7.204 ( -8.024 0.701 7.868) 11.260 7.316 ( -0.828 -4.424 6.920) 8.255 7.408 ( -9.292 -2.336 -6.130) 11.374 7.547 ( -11.558 -0.981 2.203) 11.807 7.702 ( -22.654 -6.556 -9.042) 25.257 8.087 ( -10.165 -3.181 2.220) 10.880 8.494 ( -8.006 -1.559 -5.774) 9.993 8.537 ( -26.192 -2.244 3.407) 26.508 8.670 ( -3.707 -0.041 -0.257) 3.716 9.535 ( 6.569 -0.851 0.817) 6.674 9.627 ( 14.102 -1.528 -3.450) 14.598 9.806 ( 19.394 -1.563 9.547) 21.673 10.015 ( -0.995 -2.822 -2.964) 4.212 10.983 ( -5.204 -2.364 -0.024) 5.716 11.113 ( -15.193 -4.859 -2.101) 16.089 11.680 ( 6.715 1.912 3.920) 8.007 11.928 ( 8.298 7.484 -6.272) 12.814 12.090 ( -25.865 -0.862 6.083) 26.584 12.158 ( 3.987 -3.735 -4.522) 7.092 12.274 ( 4.495 4.236 3.307) 7.006 12.557 ( 12.451 -2.310 -2.721) 12.953 12.634 ( 17.798 -0.209 1.534) 17.865 12.794 ( 7.227 -3.502 0.451) 8.043 14.480 ( -12.221 -2.605 5.817) 13.783 14.568 ( 2.313 1.033 -7.864) 8.262 16.002 ( -5.029 -0.122 -3.753) 6.277 16.097 ( 3.416 0.913 4.978) 6.106 21.826 ( 0.203 -0.152 -2.151) 2.166 22.077 ( -3.005 -0.140 3.481) 4.600 22.333 ( -12.404 2.191 1.670) 12.706 22.434 ( -9.883 -1.945 -1.152) 10.139 22.672 ( 1.383 5.810 -2.597) 6.513 23.045 ( 4.779 7.022 0.308) 8.500 23.877 ( 10.685 -6.064 0.166) 12.287 24.395 ( 16.966 -1.581 0.008) 17.040 25.544 ( -18.408 0.063 0.993) 18.435 25.674 ( -17.163 -5.440 -1.254) 18.049 27.965 ( 1.230 -0.051 3.208) 3.436 28.093 ( 6.490 -1.746 -2.445) 7.151 ======================= Grid point 37 (26/117) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -10.215 14.563 -4.114) 18.258 1.925 ( -9.658 22.047 0.080) 24.070 2.012 ( 3.762 1.975 0.993) 4.363 2.529 ( -8.654 -6.654 -1.475) 11.016 2.601 ( -2.014 8.694 -0.435) 8.934 2.767 ( -4.282 3.750 1.562) 5.902 2.860 ( 3.502 6.040 3.117) 7.646 2.947 ( -2.020 -4.710 -0.738) 5.178 3.124 ( -2.498 3.386 -0.058) 4.208 3.225 ( 0.617 4.536 -0.581) 4.614 3.266 ( -5.266 5.345 0.570) 7.525 3.534 ( 2.800 2.235 -3.108) 4.743 3.636 ( 1.938 -3.315 6.817) 7.824 3.720 ( 0.678 0.530 3.317) 3.427 3.777 ( -1.502 11.351 2.335) 11.686 3.865 ( -0.927 9.221 -7.001) 11.615 3.978 ( 2.654 -4.020 0.322) 4.828 4.135 ( 1.566 4.824 3.318) 6.060 4.199 ( -4.644 2.082 -3.177) 5.999 4.284 ( -3.252 -1.327 -0.693) 3.580 4.480 ( -6.965 3.517 -1.001) 7.867 4.620 ( 0.758 1.120 0.672) 1.510 4.711 ( -5.263 3.316 0.613) 6.251 4.966 ( 0.035 1.424 -3.379) 3.667 5.001 ( 1.305 2.588 1.420) 3.228 5.079 ( -3.395 1.675 5.144) 6.387 5.130 ( -0.154 1.552 0.653) 1.691 5.205 ( -4.132 0.548 -4.727) 6.302 5.640 ( 2.195 -10.507 -0.048) 10.734 5.757 ( 2.778 -6.677 -0.560) 7.254 6.171 ( 10.593 0.518 -6.358) 12.366 6.294 ( -9.355 0.709 3.864) 10.146 6.891 ( -7.647 0.585 -0.531) 7.688 6.903 ( -22.808 -0.269 9.729) 24.797 7.180 ( -14.275 0.502 -7.918) 16.332 7.348 ( -1.075 -2.974 -1.352) 3.439 7.440 ( -2.354 -4.118 0.898) 4.828 7.596 ( -2.106 -6.360 -1.166) 6.800 7.976 ( -10.385 -4.055 1.215) 11.214 8.235 ( -8.775 -7.424 3.294) 11.957 8.394 ( -5.642 -4.930 -3.148) 8.127 8.615 ( -2.047 0.712 -1.038) 2.403 9.657 ( 5.366 -2.484 1.707) 6.154 9.899 ( 11.760 -1.730 -1.858) 12.030 10.015 ( 2.432 -5.762 -3.193) 7.022 10.213 ( 20.209 -0.607 7.051) 21.412 10.885 ( -13.489 -6.383 1.422) 14.990 10.959 ( -1.847 -6.123 -1.136) 6.496 11.528 ( -32.496 -0.463 -1.033) 32.516 11.775 ( 3.963 1.567 0.525) 4.294 11.966 ( 3.274 5.867 -3.654) 7.648 12.171 ( -2.948 -2.546 -0.781) 3.973 12.261 ( 0.155 5.764 2.882) 6.446 12.611 ( -1.363 -4.576 -0.264) 4.782 13.087 ( 25.646 2.235 -4.297) 26.099 13.133 ( 17.967 -2.510 3.941) 18.565 14.285 ( -13.169 -4.778 6.264) 15.346 14.590 ( 1.704 2.756 -6.819) 7.549 15.913 ( -4.741 -1.357 -2.947) 5.745 16.146 ( 3.348 2.040 3.796) 5.457 21.806 ( -2.492 0.389 -1.135) 2.765 21.977 ( -7.727 0.518 0.603) 7.767 22.119 ( -9.495 -0.034 1.837) 9.671 22.292 ( -6.218 -1.740 0.061) 6.457 22.614 ( 0.372 9.896 -1.314) 9.990 23.039 ( 2.682 8.769 -0.131) 9.171 24.103 ( 6.792 -8.197 0.010) 10.645 24.675 ( 11.169 -2.988 -0.435) 11.570 25.269 ( -11.173 1.358 -0.024) 11.255 25.509 ( -7.715 -6.154 0.114) 9.869 27.981 ( 0.358 0.045 2.525) 2.550 28.215 ( 4.652 -2.642 -1.694) 5.612 ======================= Grid point 38 (27/117) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 0.000 20.497 0.000) 20.497 1.610 ( 0.000 26.176 0.000) 26.176 1.997 ( 0.000 2.590 0.000) 2.590 2.496 ( 0.000 12.459 0.000) 12.459 2.573 ( 0.000 14.715 0.000) 14.715 2.578 ( -0.000 -7.564 -0.000) 7.564 2.829 ( 0.000 12.174 0.000) 12.174 2.979 ( -0.000 -4.219 -0.000) 4.219 3.097 ( 0.000 7.526 0.000) 7.526 3.102 ( 0.000 5.595 0.000) 5.595 3.190 ( 0.000 7.005 0.000) 7.005 3.517 ( 0.000 2.692 0.000) 2.692 3.550 ( 0.000 23.634 0.000) 23.634 3.730 ( 0.000 1.748 0.000) 1.748 3.784 ( 0.000 0.395 0.000) 0.395 3.812 ( -0.000 -18.152 -0.000) 18.152 4.027 ( 0.000 3.307 0.000) 3.307 4.130 ( -0.000 -1.230 -0.000) 1.230 4.131 ( 0.000 0.682 0.000) 0.682 4.312 ( 0.000 2.576 0.000) 2.576 4.339 ( -0.000 -0.461 -0.000) 0.461 4.600 ( 0.000 1.531 0.000) 1.531 4.633 ( 0.000 2.405 0.000) 2.405 4.949 ( 0.000 0.020 0.000) 0.020 5.015 ( 0.000 10.359 0.000) 10.359 5.035 ( -0.000 -0.299 -0.000) 0.299 5.112 ( 0.000 0.525 0.000) 0.525 5.113 ( 0.000 1.426 0.000) 1.426 5.749 ( -0.000 -8.242 -0.000) 8.242 5.924 ( -0.000 -12.637 -0.000) 12.637 6.191 ( 0.000 0.606 0.000) 0.606 6.428 ( -0.000 -0.518 -0.000) 0.518 6.544 ( -0.000 -3.096 -0.000) 3.096 6.835 ( 0.000 0.337 0.000) 0.337 7.026 ( 0.000 1.363 0.000) 1.363 7.364 ( -0.000 -2.059 -0.000) 2.059 7.436 ( -0.000 -1.735 -0.000) 1.735 7.647 ( -0.000 -7.036 -0.000) 7.036 7.873 ( -0.000 -1.691 -0.000) 1.691 8.288 ( -0.000 -11.957 -0.000) 11.957 8.400 ( -0.000 -7.000 -0.000) 7.000 8.592 ( 0.000 0.074 0.000) 0.074 9.739 ( -0.000 -3.095 -0.000) 3.095 9.980 ( -0.000 -5.456 -0.000) 5.456 10.204 ( -0.000 -5.466 -0.000) 5.466 10.391 ( -0.000 -0.737 -0.000) 0.737 10.905 ( -0.000 -5.795 -0.000) 5.795 11.025 ( 0.000 0.521 0.000) 0.521 11.076 ( -0.000 -8.825 -0.000) 8.825 11.804 ( 0.000 2.409 0.000) 2.409 11.937 ( 0.000 6.064 0.000) 6.064 12.159 ( -0.000 -2.128 -0.000) 2.128 12.209 ( 0.000 5.095 0.000) 5.095 12.631 ( -0.000 -2.282 -0.000) 2.282 13.326 ( 0.000 1.828 0.000) 1.828 13.332 ( -0.000 -1.427 -0.000) 1.427 14.189 ( -0.000 -6.484 -0.000) 6.484 14.575 ( 0.000 3.086 0.000) 3.086 15.885 ( -0.000 -2.277 -0.000) 2.277 16.162 ( 0.000 2.391 0.000) 2.391 21.763 ( 0.000 0.648 0.000) 0.648 21.880 ( 0.000 0.815 0.000) 0.815 22.028 ( 0.000 0.475 0.000) 0.475 22.259 ( -0.000 -1.827 -0.000) 1.827 22.512 ( 0.000 12.259 0.000) 12.259 22.980 ( 0.000 9.024 0.000) 9.024 24.246 ( -0.000 -8.841 -0.000) 8.841 24.806 ( -0.000 -3.344 -0.000) 3.344 25.151 ( 0.000 1.738 0.000) 1.738 25.501 ( -0.000 -5.924 -0.000) 5.924 27.980 ( 0.000 0.382 0.000) 0.382 28.287 ( -0.000 -3.366 -0.000) 3.366 ======================= Grid point 45 (28/117) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 0.748 -0.000 1.246) 1.453 1.913 ( 5.168 -0.000 -2.120) 5.586 2.524 ( -6.647 0.000 -8.572) 10.847 2.544 ( -10.006 0.000 6.154) 11.747 2.632 ( 3.970 -0.000 2.506) 4.695 2.756 ( 1.427 -0.000 -0.452) 1.497 2.918 ( 1.578 -0.000 -2.484) 2.943 3.054 ( -13.811 0.000 0.682) 13.828 3.152 ( -1.789 0.000 1.637) 2.425 3.363 ( -7.850 0.000 0.523) 7.867 3.457 ( 0.861 -0.000 3.138) 3.254 3.538 ( -0.447 0.000 -0.420) 0.614 3.555 ( 9.171 -0.000 -2.452) 9.493 3.642 ( -0.080 0.000 3.585) 3.586 3.784 ( 0.642 -0.000 1.529) 1.659 3.883 ( 5.510 -0.000 -4.952) 7.408 4.165 ( -0.285 0.000 4.802) 4.811 4.247 ( -1.508 0.000 1.443) 2.087 4.274 ( -0.726 0.000 -5.849) 5.894 4.387 ( -15.000 0.000 -1.715) 15.098 4.579 ( 3.567 -0.000 0.924) 3.685 4.747 ( 10.296 -0.000 -3.423) 10.851 4.839 ( -11.171 0.000 4.642) 12.097 4.855 ( 2.228 -0.000 0.762) 2.355 4.991 ( 0.722 -0.000 1.441) 1.612 5.054 ( -4.019 0.000 -5.040) 6.446 5.244 ( -7.605 0.000 1.306) 7.717 5.316 ( -2.242 0.000 6.388) 6.769 5.519 ( -4.620 0.000 -1.409) 4.830 5.802 ( -13.870 0.000 -0.596) 13.882 6.136 ( -1.094 0.000 -8.910) 8.977 6.448 ( -4.807 0.000 4.885) 6.853 7.148 ( -19.562 0.000 -3.923) 19.951 7.216 ( -10.145 0.000 10.212) 14.395 7.258 ( 5.578 -0.000 6.183) 8.327 7.385 ( -9.627 0.000 -6.874) 11.829 7.559 ( -7.236 0.000 2.411) 7.627 7.620 ( -28.921 0.000 -10.685) 30.832 8.058 ( -11.854 0.000 2.938) 12.212 8.475 ( -9.555 0.000 -4.398) 10.519 8.513 ( -27.303 0.000 3.086) 27.476 8.673 ( -2.751 0.000 -1.101) 2.963 9.528 ( 4.858 -0.000 1.873) 5.207 9.611 ( 15.037 -0.000 -4.953) 15.831 9.792 ( 20.625 -0.000 10.320) 23.062 9.990 ( -1.826 0.000 -4.093) 4.482 10.962 ( -6.648 0.000 0.514) 6.668 11.063 ( -15.605 0.000 -2.061) 15.740 11.700 ( 7.191 -0.000 3.767) 8.118 12.047 ( -2.050 0.000 2.058) 2.905 12.055 ( 5.573 -0.000 -7.871) 9.644 12.094 ( -19.058 0.000 0.800) 19.074 12.330 ( 7.941 -0.000 4.354) 9.056 12.524 ( 2.656 -0.000 -2.119) 3.398 12.631 ( 25.008 -0.000 -0.434) 25.012 12.761 ( 8.140 -0.000 1.114) 8.216 14.454 ( -13.357 0.000 6.298) 14.767 14.581 ( 3.877 -0.000 -8.328) 9.187 16.001 ( -5.800 0.000 -4.677) 7.450 16.106 ( 4.105 -0.000 5.920) 7.204 21.825 ( 0.600 -0.000 -2.260) 2.338 22.073 ( -3.364 0.000 3.995) 5.223 22.370 ( -13.309 0.000 0.663) 13.325 22.403 ( -9.608 0.000 -0.730) 9.635 22.728 ( 2.476 -0.000 -3.062) 3.938 23.119 ( 5.141 -0.000 1.122) 5.263 23.814 ( 9.939 -0.000 -0.008) 9.939 24.379 ( 16.477 -0.000 0.236) 16.479 25.559 ( -15.249 0.000 2.551) 15.461 25.609 ( -19.421 0.000 -2.922) 19.639 27.966 ( 1.160 -0.000 3.182) 3.387 28.075 ( 6.526 -0.000 -2.615) 7.030 ======================= Grid point 47 (29/117) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -3.971 7.720 -0.797) 8.718 2.033 ( 4.907 0.583 -0.316) 4.952 2.219 ( -11.124 6.519 -5.045) 13.845 2.445 ( -7.334 0.497 3.013) 7.944 2.682 ( 2.332 0.816 1.805) 3.060 2.773 ( -1.553 -1.936 1.431) 2.865 2.830 ( -8.091 -2.677 -0.072) 8.523 2.957 ( 1.964 1.398 -0.637) 2.493 3.163 ( -0.032 -4.716 1.216) 4.870 3.216 ( -5.262 4.249 1.852) 7.012 3.382 ( -4.924 4.568 -0.561) 6.740 3.542 ( 0.356 -1.389 -3.183) 3.491 3.625 ( -0.492 1.715 5.303) 5.595 3.722 ( 7.174 3.760 0.331) 8.106 3.847 ( 3.602 -6.982 0.898) 7.907 3.927 ( -0.643 3.036 -6.886) 7.553 4.093 ( -2.432 7.669 1.715) 8.226 4.210 ( -0.631 2.545 -0.945) 2.788 4.227 ( -3.501 -0.472 2.627) 4.402 4.247 ( -0.839 -1.211 -2.070) 2.541 4.566 ( -12.137 4.290 -0.466) 12.881 4.632 ( 0.221 -1.112 4.632) 4.768 4.842 ( 2.856 9.668 -0.435) 10.090 4.964 ( 1.474 0.442 -3.602) 3.917 5.020 ( 3.163 -0.326 1.541) 3.533 5.065 ( 4.637 -4.241 -2.875) 6.910 5.130 ( -3.432 0.451 -0.068) 3.462 5.270 ( -0.611 2.146 4.203) 4.758 5.508 ( -1.690 -1.624 0.203) 2.352 5.637 ( -3.963 -5.950 -1.584) 7.323 6.182 ( 8.736 0.462 -7.976) 11.838 6.303 ( -9.562 0.276 3.872) 10.320 6.901 ( -25.569 -0.030 12.678) 28.539 6.901 ( -6.752 0.450 -2.502) 7.215 7.185 ( -13.236 0.051 -7.103) 15.022 7.302 ( -4.857 -1.544 -6.753) 8.460 7.376 ( 4.532 -2.321 6.004) 7.873 7.510 ( -2.464 -2.511 -1.871) 3.985 7.917 ( -6.852 -2.009 0.232) 7.144 8.137 ( -14.090 -2.796 3.705) 14.835 8.323 ( -7.380 -2.252 -1.924) 7.952 8.632 ( -1.654 0.638 -1.300) 2.198 9.628 ( 5.584 -0.786 2.178) 6.045 9.878 ( 14.102 -0.583 -2.837) 14.396 9.939 ( -2.823 -2.212 -3.119) 4.753 10.207 ( 22.372 -0.113 6.533) 23.306 10.795 ( -12.909 -2.830 1.013) 13.254 10.876 ( -3.732 -2.491 -0.104) 4.488 11.521 ( -33.910 -0.196 -0.741) 33.918 11.799 ( 4.768 0.819 0.716) 4.891 12.056 ( 1.405 3.946 -2.682) 4.974 12.118 ( -1.255 -2.990 -2.001) 3.811 12.375 ( 0.643 6.264 2.838) 6.907 12.505 ( -1.937 -6.218 -0.935) 6.579 13.105 ( 19.291 -0.468 3.726) 19.653 13.118 ( 26.023 0.667 -4.077) 26.349 14.224 ( -13.554 -1.730 6.841) 15.281 14.627 ( 1.625 1.076 -6.759) 7.035 15.897 ( -5.184 -0.435 -3.442) 6.238 16.173 ( 3.496 0.782 4.144) 5.478 21.812 ( -2.178 0.211 -1.213) 2.502 21.966 ( -8.590 -0.785 1.500) 8.755 22.145 ( -8.983 1.616 0.171) 9.129 22.261 ( -5.747 -1.308 0.568) 5.921 22.747 ( 1.533 3.982 -1.737) 4.607 23.172 ( 2.985 4.524 0.751) 5.472 23.980 ( 6.170 -4.230 -0.055) 7.481 24.632 ( 10.507 -1.378 0.008) 10.597 25.314 ( -9.482 3.488 -0.455) 10.113 25.403 ( -7.545 -5.209 0.300) 9.173 27.984 ( 0.782 0.203 1.822) 1.993 28.178 ( 4.227 -1.156 -1.456) 4.618 ======================= Grid point 48 (30/117) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 0.000 15.970 0.000) 15.970 1.994 ( 0.000 7.128 0.000) 7.128 2.057 ( 0.000 10.661 0.000) 10.661 2.446 ( -0.000 -5.359 -0.000) 5.359 2.658 ( 0.000 4.819 0.000) 4.819 2.715 ( 0.000 3.604 0.000) 3.604 2.851 ( -0.000 -8.350 -0.000) 8.350 2.957 ( 0.000 3.332 0.000) 3.332 3.151 ( 0.000 0.968 0.000) 0.968 3.217 ( -0.000 -4.719 -0.000) 4.719 3.254 ( 0.000 8.865 0.000) 8.865 3.583 ( -0.000 -6.305 -0.000) 6.305 3.590 ( 0.000 4.116 0.000) 4.116 3.758 ( 0.000 1.826 0.000) 1.826 3.855 ( 0.000 5.791 0.000) 5.791 3.960 ( 0.000 5.755 0.000) 5.755 3.970 ( 0.000 3.987 0.000) 3.987 4.152 ( 0.000 1.458 0.000) 1.458 4.200 ( 0.000 4.491 0.000) 4.491 4.319 ( -0.000 -1.124 -0.000) 1.124 4.357 ( 0.000 2.181 0.000) 2.181 4.652 ( -0.000 -0.502 -0.000) 0.502 4.741 ( 0.000 13.794 0.000) 13.794 4.948 ( 0.000 0.673 0.000) 0.673 5.044 ( 0.000 1.197 0.000) 1.197 5.105 ( -0.000 -1.100 -0.000) 1.100 5.123 ( 0.000 0.544 0.000) 0.544 5.228 ( 0.000 10.009 0.000) 10.009 5.548 ( -0.000 -11.804 -0.000) 11.804 5.720 ( -0.000 -10.225 -0.000) 10.225 6.202 ( 0.000 0.492 0.000) 0.492 6.425 ( 0.000 0.060 0.000) 0.060 6.500 ( -0.000 -1.566 -0.000) 1.566 6.847 ( 0.000 0.747 0.000) 0.747 7.047 ( 0.000 0.853 0.000) 0.853 7.288 ( -0.000 -4.164 -0.000) 4.164 7.435 ( 0.000 0.401 0.000) 0.401 7.519 ( -0.000 -6.117 -0.000) 6.117 7.848 ( -0.000 -1.023 -0.000) 1.023 8.090 ( -0.000 -8.501 -0.000) 8.501 8.287 ( -0.000 -4.819 -0.000) 4.819 8.607 ( 0.000 1.077 0.000) 1.077 9.702 ( -0.000 -1.169 -0.000) 1.169 9.900 ( -0.000 -3.000 -0.000) 3.000 10.109 ( -0.000 -4.325 -0.000) 4.325 10.375 ( -0.000 -0.944 -0.000) 0.944 10.827 ( -0.000 -2.289 -0.000) 2.289 10.926 ( -0.000 -7.085 -0.000) 7.085 11.032 ( 0.000 0.200 0.000) 0.200 11.839 ( 0.000 1.359 0.000) 1.359 12.033 ( 0.000 4.104 0.000) 4.104 12.119 ( -0.000 -2.041 -0.000) 2.041 12.315 ( 0.000 6.259 0.000) 6.259 12.550 ( -0.000 -5.865 -0.000) 5.865 13.295 ( -0.000 -0.981 -0.000) 0.981 13.384 ( 0.000 2.356 0.000) 2.356 14.090 ( -0.000 -3.912 -0.000) 3.912 14.622 ( 0.000 1.869 0.000) 1.869 15.853 ( -0.000 -1.115 -0.000) 1.115 16.199 ( 0.000 1.490 0.000) 1.490 21.774 ( 0.000 0.532 0.000) 0.532 21.876 ( -0.000 -0.938 -0.000) 0.938 22.054 ( 0.000 1.873 0.000) 1.873 22.228 ( -0.000 -1.517 -0.000) 1.517 22.704 ( 0.000 7.983 0.000) 7.983 23.141 ( 0.000 7.664 0.000) 7.664 24.091 ( -0.000 -7.314 -0.000) 7.314 24.747 ( -0.000 -2.712 -0.000) 2.712 25.198 ( 0.000 3.345 0.000) 3.345 25.391 ( -0.000 -5.806 -0.000) 5.806 27.988 ( 0.000 0.460 0.000) 0.460 28.233 ( -0.000 -2.307 -0.000) 2.307 ======================= Grid point 58 (31/117) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.187 ( -0.000 -0.000 -0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.690 ( 0.000 0.000 0.000) 0.000 2.745 ( 0.000 0.000 0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.124 ( 0.000 0.000 0.000) 0.000 3.179 ( 0.000 0.000 0.000) 0.000 3.353 ( 0.000 0.000 0.000) 0.000 3.535 ( 0.000 0.000 0.000) 0.000 3.633 ( 0.000 0.000 0.000) 0.000 3.788 ( 0.000 0.000 0.000) 0.000 3.883 ( -0.000 -0.000 -0.000) 0.000 3.918 ( -0.000 -0.000 -0.000) 0.000 4.100 ( 0.000 0.000 0.000) 0.000 4.169 ( 0.000 0.000 0.000) 0.000 4.241 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.380 ( 0.000 0.000 0.000) 0.000 4.640 ( 0.000 0.000 0.000) 0.000 4.897 ( -0.000 -0.000 -0.000) 0.000 5.056 ( -0.000 -0.000 -0.000) 0.000 5.060 ( -0.000 -0.000 -0.000) 0.000 5.065 ( 0.000 0.000 0.000) 0.000 5.128 ( 0.000 0.000 0.000) 0.000 5.242 ( -0.000 -0.000 -0.000) 0.000 5.529 ( -0.000 -0.000 -0.000) 0.000 5.537 ( 0.000 0.000 0.000) 0.000 6.207 ( 0.000 0.000 0.000) 0.000 6.426 ( 0.000 0.000 0.000) 0.000 6.486 ( 0.000 0.000 0.000) 0.000 6.855 ( 0.000 0.000 0.000) 0.000 7.055 ( 0.000 0.000 0.000) 0.000 7.246 ( 0.000 0.000 0.000) 0.000 7.439 ( 0.000 0.000 0.000) 0.000 7.457 ( 0.000 0.000 0.000) 0.000 7.838 ( 0.000 0.000 0.000) 0.000 8.008 ( 0.000 0.000 0.000) 0.000 8.240 ( 0.000 0.000 0.000) 0.000 8.619 ( 0.000 0.000 0.000) 0.000 9.691 ( 0.000 0.000 0.000) 0.000 9.872 ( 0.000 0.000 0.000) 0.000 10.066 ( 0.000 0.000 0.000) 0.000 10.365 ( 0.000 0.000 0.000) 0.000 10.828 ( -0.000 -0.000 -0.000) 0.000 10.836 ( 0.000 0.000 0.000) 0.000 11.033 ( 0.000 0.000 0.000) 0.000 11.852 ( 0.000 0.000 0.000) 0.000 12.085 ( -0.000 -0.000 -0.000) 0.000 12.086 ( 0.000 0.000 0.000) 0.000 12.424 ( -0.000 -0.000 -0.000) 0.000 12.443 ( 0.000 0.000 0.000) 0.000 13.287 ( 0.000 0.000 0.000) 0.000 13.406 ( 0.000 0.000 0.000) 0.000 14.053 ( 0.000 0.000 0.000) 0.000 14.640 ( 0.000 0.000 0.000) 0.000 15.843 ( 0.000 0.000 0.000) 0.000 16.213 ( 0.000 0.000 0.000) 0.000 21.780 ( 0.000 0.000 0.000) 0.000 21.864 ( 0.000 0.000 0.000) 0.000 22.075 ( 0.000 0.000 0.000) 0.000 22.211 ( 0.000 0.000 0.000) 0.000 22.781 ( 0.000 0.000 0.000) 0.000 23.220 ( 0.000 0.000 0.000) 0.000 24.015 ( 0.000 0.000 0.000) 0.000 24.720 ( 0.000 0.000 0.000) 0.000 25.253 ( 0.000 0.000 0.000) 0.000 25.313 ( -0.000 -0.000 -0.000) 0.000 27.993 ( 0.000 0.000 0.000) 0.000 28.211 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 105 (32/117) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 9.820 -0.000 28.192) 29.853 0.611 ( -9.744 0.000 30.520) 32.038 1.298 ( -4.466 0.000 60.239) 60.404 1.573 ( -5.799 0.000 -18.398) 19.290 1.895 ( 5.410 -0.000 -29.627) 30.117 2.079 ( 3.460 -0.000 5.638) 6.615 2.177 ( -1.359 0.000 5.300) 5.471 2.848 ( -2.271 0.000 3.503) 4.174 3.036 ( 7.867 -0.000 3.696) 8.692 3.071 ( -3.481 0.000 3.134) 4.684 3.199 ( 1.392 -0.000 -3.022) 3.327 3.336 ( -1.220 0.000 10.185) 10.257 3.461 ( 0.948 -0.000 -16.085) 16.113 3.626 ( -0.546 0.000 2.160) 2.228 3.752 ( 0.832 -0.000 -14.739) 14.762 3.908 ( -3.724 0.000 1.296) 3.943 3.932 ( -2.376 0.000 -11.351) 11.597 4.002 ( 2.272 -0.000 -4.024) 4.621 4.310 ( 2.764 -0.000 9.692) 10.078 4.348 ( -0.071 0.000 -4.422) 4.423 4.375 ( -0.757 0.000 8.699) 8.732 4.558 ( -0.098 0.000 -10.282) 10.283 4.722 ( 0.926 -0.000 1.904) 2.117 4.816 ( 0.525 -0.000 -1.109) 1.227 4.855 ( 3.294 -0.000 -12.491) 12.918 4.924 ( -3.657 0.000 -11.529) 12.095 5.053 ( 0.109 -0.000 9.720) 9.721 5.308 ( 0.094 -0.000 6.491) 6.492 5.516 ( 0.205 -0.000 4.082) 4.087 5.837 ( -0.003 0.000 -3.820) 3.820 6.343 ( -2.300 0.000 2.251) 3.218 6.495 ( 13.899 -0.000 -3.365) 14.301 6.857 ( -27.341 0.000 17.319) 32.365 7.105 ( 2.060 -0.000 4.680) 5.113 7.169 ( 15.375 -0.000 12.275) 19.674 7.521 ( -0.719 0.000 -5.712) 5.757 7.705 ( -14.670 0.000 -10.762) 18.194 7.889 ( 30.401 -0.000 -16.525) 34.602 8.120 ( -2.940 0.000 11.946) 12.303 8.277 ( 2.910 -0.000 5.978) 6.648 8.479 ( 0.439 -0.000 -4.395) 4.417 8.640 ( -9.618 0.000 -5.208) 10.938 10.050 ( -0.807 0.000 5.374) 5.434 10.148 ( -1.895 0.000 3.155) 3.681 10.303 ( 3.326 -0.000 -3.152) 4.582 10.371 ( -1.910 0.000 -4.190) 4.605 10.991 ( -7.799 0.000 2.138) 8.087 11.245 ( 4.342 -0.000 -6.772) 8.045 11.285 ( 5.234 -0.000 10.446) 11.684 11.624 ( -0.459 0.000 -3.330) 3.361 11.775 ( -1.437 0.000 5.572) 5.754 12.109 ( 2.125 -0.000 -8.536) 8.796 12.431 ( -2.356 0.000 1.746) 2.932 12.457 ( -2.451 0.000 2.091) 3.221 13.260 ( 6.272 -0.000 1.581) 6.468 13.453 ( -5.269 0.000 -6.120) 8.076 14.425 ( -6.971 0.000 1.841) 7.210 14.461 ( 7.095 -0.000 0.762) 7.135 15.974 ( 2.326 -0.000 0.875) 2.486 16.012 ( -2.233 0.000 -0.585) 2.308 21.817 ( -3.453 0.000 0.558) 3.498 21.856 ( 20.205 -0.000 -1.306) 20.247 22.117 ( -2.112 0.000 5.716) 6.094 22.276 ( -17.052 0.000 4.473) 17.629 22.296 ( 2.633 -0.000 -2.512) 3.639 22.626 ( 2.071 -0.000 -8.142) 8.401 24.598 ( -2.863 0.000 5.282) 6.008 24.857 ( 3.071 -0.000 -5.199) 6.038 25.192 ( 4.787 -0.000 2.517) 5.408 25.283 ( -1.036 0.000 -1.334) 1.689 28.411 ( -26.232 0.000 0.026) 26.232 28.412 ( 4.961 -0.000 -0.010) 4.961 ======================= Grid point 106 (33/117) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 8.184 -28.574 18.437) 34.977 1.048 ( 23.147 -5.493 24.078) 33.848 1.489 ( 10.447 -3.326 24.860) 27.171 1.626 ( 12.737 -10.993 -1.624) 16.903 2.034 ( 3.366 -6.759 -14.702) 16.527 2.182 ( 9.150 -0.360 -3.859) 9.938 2.272 ( 14.787 -7.634 2.972) 16.905 2.902 ( 6.986 1.144 2.556) 7.527 3.026 ( 0.800 -0.920 9.631) 9.707 3.184 ( -0.833 2.853 -1.153) 3.188 3.266 ( 6.646 1.079 -3.958) 7.810 3.341 ( 2.696 3.607 6.892) 8.233 3.507 ( 3.465 2.529 -9.012) 9.981 3.638 ( 2.973 -3.952 -1.105) 5.067 3.746 ( -5.206 -2.284 -6.590) 8.703 3.803 ( -0.446 -1.329 0.713) 1.572 3.858 ( -2.781 -2.023 -21.818) 22.087 4.020 ( -1.512 -1.209 0.321) 1.962 4.284 ( -2.780 1.903 -4.213) 5.395 4.407 ( 3.349 0.243 9.026) 9.630 4.530 ( -0.187 0.196 -10.981) 10.985 4.681 ( -3.846 1.203 0.898) 4.128 4.691 ( 7.058 6.836 -5.226) 11.129 4.854 ( 10.827 4.036 -5.132) 12.643 4.959 ( 7.273 -1.507 -9.952) 12.418 4.978 ( 8.268 0.196 -8.973) 12.204 5.096 ( 9.966 1.964 5.752) 11.673 5.350 ( 4.435 0.566 7.829) 9.015 5.579 ( 1.974 -7.964 -3.594) 8.958 5.824 ( -0.905 0.426 -3.731) 3.863 6.402 ( 7.375 1.929 -1.050) 7.695 6.450 ( -17.812 -0.286 17.150) 24.728 6.739 ( 15.407 0.289 -5.369) 16.319 7.166 ( 2.670 -2.825 6.011) 7.159 7.301 ( -14.392 8.103 1.375) 16.574 7.478 ( 5.389 -2.757 0.251) 6.058 7.637 ( 20.038 2.321 3.046) 20.401 7.897 ( -1.025 8.462 10.183) 13.279 8.167 ( -3.369 -9.777 5.807) 11.860 8.396 ( 7.881 2.839 8.429) 11.883 8.480 ( 3.027 -4.017 -6.375) 8.120 8.666 ( 8.519 1.703 -6.077) 10.602 9.939 ( -9.222 2.792 1.256) 9.716 9.970 ( -13.014 0.226 3.312) 13.431 10.231 ( -10.408 2.968 0.837) 10.856 10.361 ( -1.574 -0.300 -3.143) 3.528 11.138 ( 15.377 3.696 -5.398) 16.711 11.271 ( -0.619 1.563 -2.275) 2.829 11.495 ( 14.761 -0.204 -2.974) 15.059 11.613 ( -0.346 -1.311 -5.342) 5.511 11.761 ( -1.483 -2.354 4.639) 5.409 12.135 ( 3.094 1.237 -8.295) 8.939 12.314 ( -3.042 4.827 7.297) 9.263 12.449 ( -5.219 -8.589 3.166) 10.537 13.151 ( -16.429 0.378 6.530) 17.683 13.238 ( -15.549 1.598 -8.717) 17.898 14.441 ( 8.088 1.575 -3.231) 8.851 14.620 ( 9.119 0.839 4.456) 10.184 15.989 ( -0.310 1.027 -1.397) 1.761 16.044 ( 4.412 -0.404 1.649) 4.727 21.799 ( 0.634 -0.839 -2.062) 2.315 22.018 ( -4.858 1.032 9.415) 10.644 22.067 ( 2.120 -1.773 -0.608) 2.830 22.355 ( 15.148 6.738 -6.374) 17.762 22.386 ( 8.657 1.425 -1.289) 8.867 22.678 ( 1.450 -4.486 -6.291) 7.862 24.472 ( -10.259 1.656 3.069) 10.835 24.760 ( -13.073 0.242 -1.809) 13.200 25.403 ( 15.966 1.898 0.493) 16.086 25.619 ( 27.257 1.395 -12.637) 30.076 28.001 ( -10.109 0.503 7.214) 12.429 28.405 ( -4.682 1.385 3.198) 5.837 ======================= Grid point 107 (34/117) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 11.344 -32.797 3.211) 34.852 1.426 ( 9.979 -13.039 23.098) 28.339 1.540 ( 6.704 3.384 -4.601) 8.807 1.997 ( 2.305 -10.432 -7.393) 12.992 2.330 ( 25.636 -5.195 22.603) 34.570 2.468 ( 16.290 -9.837 -18.956) 26.860 2.618 ( 10.409 -5.554 6.375) 13.410 3.050 ( 10.186 0.975 -0.020) 10.233 3.101 ( 5.963 -0.140 4.739) 7.618 3.128 ( 1.778 5.019 -0.158) 5.327 3.308 ( 0.778 -0.277 0.254) 0.864 3.351 ( 2.611 4.738 2.166) 5.827 3.510 ( 1.686 6.003 -3.032) 6.933 3.601 ( -10.332 -4.636 -3.266) 11.786 3.761 ( 3.978 -5.633 2.402) 7.303 3.833 ( 0.748 -2.016 -11.741) 11.937 3.899 ( 1.665 -0.395 -3.304) 3.721 4.040 ( 3.382 -5.806 -7.414) 10.006 4.279 ( 3.759 0.072 -1.778) 4.159 4.451 ( 0.170 0.884 2.087) 2.273 4.502 ( -0.150 3.733 -3.563) 5.163 4.592 ( -4.386 1.818 0.562) 4.781 4.627 ( -4.032 0.967 -2.360) 4.771 4.912 ( 3.753 6.645 1.646) 7.807 5.081 ( 5.411 0.011 -3.376) 6.378 5.100 ( 8.143 1.483 -5.114) 9.729 5.355 ( 13.762 3.841 -0.458) 14.295 5.473 ( 10.985 0.094 3.306) 11.472 5.708 ( 6.595 -3.705 -10.997) 13.348 5.807 ( -0.059 0.378 -3.494) 3.515 6.171 ( -13.924 -1.728 19.289) 23.852 6.531 ( 5.295 4.681 -3.066) 7.703 7.054 ( 20.511 -0.066 -5.076) 21.130 7.218 ( 9.545 -0.540 -0.280) 9.564 7.250 ( 4.780 -2.532 7.272) 9.063 7.551 ( 4.083 0.495 -5.533) 6.894 7.807 ( 5.858 5.675 7.099) 10.812 8.034 ( 6.519 -1.328 2.598) 7.142 8.290 ( 19.823 -0.439 -0.723) 19.841 8.541 ( 2.467 -4.089 0.632) 4.817 8.608 ( 16.145 4.191 10.277) 19.592 8.795 ( 7.967 2.581 -2.098) 8.633 9.716 ( -13.532 -0.137 3.333) 13.937 9.761 ( -8.813 3.903 0.094) 9.640 9.955 ( -15.160 3.277 2.114) 15.654 10.289 ( -4.808 3.238 -2.768) 6.424 11.202 ( -3.163 2.763 -0.153) 4.203 11.346 ( 7.043 4.001 -4.222) 9.135 11.546 ( -3.268 -1.021 -1.026) 3.574 11.736 ( 1.519 -2.489 -1.924) 3.493 11.794 ( 6.914 -1.762 -5.839) 9.220 12.144 ( -5.183 -1.517 2.218) 5.838 12.303 ( 6.516 1.302 -5.373) 8.545 12.394 ( -10.056 -6.627 3.596) 12.569 12.806 ( -18.503 1.320 9.937) 21.044 12.980 ( -7.773 2.571 -7.794) 11.304 14.596 ( 10.939 3.963 -4.238) 12.383 14.752 ( 7.617 2.198 4.964) 9.353 15.968 ( -1.162 1.254 -0.973) 1.967 16.117 ( 3.067 -0.006 1.680) 3.498 21.833 ( 0.817 -2.962 -3.486) 4.647 21.975 ( -0.455 0.424 8.963) 8.985 22.135 ( 3.068 -3.887 -0.815) 5.018 22.490 ( 5.111 2.125 -0.547) 5.562 22.503 ( 8.262 2.584 -3.395) 9.299 22.733 ( 0.081 -4.378 -3.051) 5.337 24.219 ( -15.450 3.375 1.355) 15.873 24.453 ( -19.686 0.037 0.391) 19.690 25.735 ( 22.398 2.914 1.915) 22.668 25.986 ( 19.893 5.953 -6.164) 21.661 27.952 ( 1.199 0.814 -3.064) 3.390 28.260 ( -9.242 1.578 3.735) 10.092 ======================= Grid point 108 (35/117) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 4.942 -7.181 0.258) 8.721 1.681 ( 7.627 -13.076 -1.102) 15.178 1.873 ( 14.625 -18.463 4.345) 23.951 2.145 ( 9.019 -6.053 -0.876) 10.897 2.565 ( 1.412 2.819 7.016) 7.692 2.740 ( 4.850 -3.984 1.004) 6.356 2.849 ( 6.688 -7.151 -4.442) 10.752 3.052 ( -1.953 2.761 1.944) 3.901 3.132 ( 5.393 6.592 1.478) 8.644 3.325 ( 1.652 0.109 2.592) 3.075 3.362 ( 5.201 1.094 -2.772) 5.994 3.388 ( 9.138 1.274 -5.236) 10.609 3.496 ( -2.053 -9.123 3.903) 10.133 3.524 ( 2.626 2.331 -1.185) 3.706 3.799 ( -1.759 -0.163 -4.064) 4.431 3.879 ( 2.789 -2.482 2.395) 4.436 3.974 ( 6.167 -3.472 4.307) 8.284 4.176 ( 2.835 -4.519 -5.593) 7.730 4.388 ( 5.188 -1.729 0.786) 5.524 4.413 ( -0.896 7.328 5.753) 9.359 4.438 ( -0.468 2.089 -7.859) 8.146 4.515 ( -2.710 -0.945 0.080) 2.871 4.590 ( -1.924 -5.923 -5.744) 8.472 4.893 ( -0.267 5.580 0.757) 5.638 5.192 ( 6.427 -1.922 -1.048) 6.789 5.227 ( 8.070 1.868 -3.312) 8.921 5.453 ( 2.758 3.286 6.459) 7.754 5.692 ( 9.492 1.566 -7.914) 12.457 5.797 ( 4.988 1.900 -0.104) 5.339 5.898 ( 10.614 0.636 -9.576) 14.309 6.007 ( -8.093 -4.887 16.432) 18.957 6.507 ( -1.961 3.387 -4.036) 5.622 7.301 ( 2.911 -1.543 8.297) 8.927 7.432 ( 17.804 0.199 -8.390) 19.683 7.467 ( 7.488 2.430 -0.667) 7.901 7.662 ( 7.616 -1.508 -4.764) 9.109 7.997 ( 24.731 2.296 5.521) 25.443 8.153 ( 12.025 -0.470 -1.781) 12.165 8.584 ( 6.861 -1.124 2.922) 7.541 8.714 ( 16.807 4.607 4.475) 17.992 8.880 ( 11.120 2.068 -1.154) 11.369 8.940 ( 17.540 0.341 2.650) 17.743 9.490 ( -11.920 -0.230 5.578) 13.163 9.581 ( -7.220 3.989 -0.663) 8.276 9.711 ( -7.912 2.921 0.080) 8.434 10.133 ( -9.250 3.324 -3.595) 10.466 11.027 ( -18.545 -0.649 -2.313) 18.700 11.269 ( -13.040 1.307 -1.168) 13.158 11.430 ( -11.825 -0.776 2.308) 12.073 11.743 ( 0.785 1.429 4.549) 4.832 11.876 ( 1.796 2.210 -0.816) 2.962 12.058 ( -5.551 -3.584 -6.334) 9.153 12.289 ( -3.506 -3.878 6.333) 8.212 12.446 ( 9.099 2.396 -8.619) 12.760 12.588 ( -4.064 -0.092 6.254) 7.459 12.931 ( 1.262 -0.507 -5.669) 5.830 14.725 ( 8.517 5.311 0.109) 10.038 14.869 ( 8.328 2.707 1.141) 8.831 15.918 ( -3.174 0.920 0.041) 3.305 16.143 ( -0.448 -0.329 0.707) 0.899 21.866 ( -0.971 -4.277 -3.979) 5.922 21.985 ( 1.602 0.384 7.981) 8.150 22.241 ( 4.552 -4.140 -2.756) 6.742 22.529 ( 2.142 1.096 -1.562) 2.869 22.632 ( 6.770 -0.567 0.921) 6.856 22.759 ( -0.988 -3.268 -0.702) 3.485 23.891 ( -16.855 4.301 0.408) 17.400 24.115 ( -17.755 -0.180 -0.154) 17.756 26.090 ( 20.612 4.459 1.977) 21.182 26.241 ( 14.658 4.034 -2.575) 15.420 27.964 ( 1.537 2.583 -3.718) 4.781 28.084 ( -9.072 0.685 2.933) 9.559 ======================= Grid point 109 (36/117) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 7.933 -1.678 0.424) 8.120 1.881 ( 5.604 -7.163 -6.022) 10.908 2.138 ( 2.843 -6.282 0.197) 6.898 2.468 ( 0.233 -0.750 3.000) 3.101 2.497 ( 7.720 -13.229 -0.042) 15.317 2.801 ( 3.958 0.724 7.501) 8.512 2.923 ( -3.234 4.198 -7.721) 9.365 3.025 ( 3.212 -3.519 -0.076) 4.765 3.115 ( -1.187 2.516 2.077) 3.472 3.305 ( -2.505 1.860 2.493) 3.994 3.378 ( 0.724 2.931 0.108) 3.021 3.463 ( -2.232 1.161 -0.432) 2.552 3.521 ( 6.468 0.985 -3.467) 7.404 3.601 ( -2.573 -4.200 -2.044) 5.333 3.896 ( -0.157 2.332 0.361) 2.365 3.906 ( 6.839 -4.681 5.285) 9.829 4.112 ( 2.804 -2.833 8.658) 9.532 4.187 ( 1.779 3.829 -1.199) 4.389 4.353 ( 1.284 1.254 1.848) 2.576 4.395 ( -2.048 -4.743 -6.165) 8.043 4.499 ( 1.222 -0.401 0.656) 1.443 4.551 ( 6.081 0.377 -1.154) 6.201 4.651 ( -0.474 -7.593 -3.858) 8.530 4.798 ( -4.268 5.029 -0.639) 6.627 5.311 ( 3.685 -2.141 0.654) 4.312 5.358 ( 6.998 -0.257 -2.844) 7.558 5.428 ( 0.064 3.924 4.599) 6.046 5.697 ( -1.317 4.655 -3.880) 6.201 5.958 ( 10.950 1.333 -2.961) 11.421 5.979 ( -1.842 -6.499 9.151) 11.374 6.063 ( 7.579 1.308 -5.992) 9.749 6.426 ( -4.723 0.834 -6.138) 7.790 7.345 ( 1.178 -0.507 7.897) 8.001 7.491 ( 0.939 3.984 3.579) 5.437 7.645 ( 7.003 0.412 -7.536) 10.295 7.733 ( 0.882 -1.586 -4.928) 5.252 8.469 ( 23.561 -0.423 -0.620) 23.573 8.552 ( 20.980 -1.414 5.401) 21.710 8.741 ( 10.725 -2.809 4.141) 11.835 8.859 ( 11.077 4.821 -0.671) 12.099 9.067 ( 14.306 4.081 3.695) 15.329 9.168 ( -0.862 1.821 0.268) 2.033 9.423 ( 4.884 -0.506 -2.128) 5.351 9.435 ( -2.334 2.835 0.937) 3.789 9.674 ( 5.935 0.244 0.916) 6.011 9.927 ( -6.683 3.028 -6.866) 10.049 10.575 ( -31.395 -3.302 -4.583) 31.899 10.739 ( -40.755 -1.553 2.845) 40.883 11.374 ( 3.462 3.223 2.022) 5.144 11.739 ( -0.695 -0.454 6.202) 6.258 11.883 ( 1.376 3.066 3.517) 4.864 11.961 ( -6.405 -0.844 1.321) 6.594 12.345 ( 2.683 -4.107 -0.362) 4.920 12.510 ( 3.442 3.965 5.640) 7.706 12.657 ( 7.813 0.651 -10.603) 13.187 12.964 ( -0.424 -3.618 -6.641) 7.575 14.803 ( 4.779 3.817 3.387) 6.991 14.984 ( 6.579 2.020 -1.439) 7.031 15.856 ( -2.309 0.668 1.540) 2.854 16.114 ( -2.988 -0.712 -0.710) 3.153 21.870 ( -2.341 -3.344 -3.524) 5.392 22.025 ( 3.010 0.906 7.038) 7.708 22.356 ( 4.146 -3.381 -5.351) 7.566 22.554 ( 1.446 0.078 -0.565) 1.555 22.742 ( 4.462 -0.393 2.741) 5.252 22.761 ( -1.467 -2.269 1.144) 2.935 23.586 ( -12.460 3.231 -0.742) 12.894 23.858 ( -10.575 0.010 -1.051) 10.627 26.352 ( 12.856 4.202 1.464) 13.604 26.423 ( 8.138 0.678 -1.257) 8.262 27.938 ( -6.020 -0.369 2.880) 6.683 27.962 ( 0.472 2.826 -3.227) 4.315 ======================= Grid point 110 (37/117) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -3.307 1.083 -3.476) 4.919 2.038 ( 6.051 -2.489 -2.149) 6.887 2.213 ( 3.578 -2.219 1.166) 4.369 2.298 ( -9.060 2.825 0.898) 9.533 2.744 ( -6.097 6.096 -4.310) 9.639 2.811 ( 1.882 -5.967 -2.636) 6.789 2.964 ( 12.069 -5.911 3.796) 13.964 3.086 ( -0.510 -4.202 2.332) 4.833 3.111 ( 0.906 -1.281 -1.505) 2.175 3.206 ( -4.376 6.868 9.485) 12.501 3.355 ( -0.840 5.142 -6.849) 8.605 3.437 ( 0.375 -4.429 -0.333) 4.458 3.541 ( -0.900 4.082 1.193) 4.347 3.595 ( -2.802 -3.933 -3.458) 5.939 3.824 ( 1.990 8.305 6.276) 10.598 4.018 ( 0.432 -3.173 6.604) 7.339 4.140 ( 0.846 -0.979 -0.514) 1.392 4.221 ( 0.891 -0.727 1.171) 1.641 4.398 ( 2.902 1.753 2.968) 4.506 4.445 ( -0.662 -7.711 -4.731) 9.070 4.496 ( -4.090 -0.274 2.774) 4.949 4.559 ( -0.506 4.852 -9.636) 10.801 4.654 ( -3.554 -0.161 2.055) 4.109 4.741 ( 2.771 1.079 0.761) 3.070 5.324 ( -1.584 4.075 3.223) 5.432 5.367 ( 0.875 2.862 -0.646) 3.062 5.538 ( 4.764 -6.243 -2.879) 8.364 5.611 ( -2.822 2.521 0.102) 3.786 6.013 ( -2.131 -5.960 0.575) 6.356 6.079 ( 2.381 3.068 1.568) 4.188 6.161 ( 6.828 1.212 -4.096) 8.054 6.322 ( -6.172 -1.047 -8.120) 10.254 7.371 ( 0.598 0.042 6.484) 6.512 7.449 ( -1.104 3.035 5.634) 6.494 7.701 ( -1.492 -4.671 -6.673) 8.281 7.765 ( 2.507 1.219 -4.850) 5.594 8.637 ( -2.462 1.790 5.528) 6.311 8.696 ( -5.057 -3.421 7.603) 9.751 8.952 ( 8.136 -2.447 -2.959) 8.997 9.067 ( -3.361 -0.667 2.341) 4.150 9.144 ( 5.760 1.200 -0.737) 5.930 9.198 ( -0.557 6.569 -0.453) 6.608 9.272 ( 2.982 -0.912 2.018) 3.715 9.547 ( -9.438 0.138 -9.397) 13.319 9.884 ( 35.648 2.114 1.259) 35.733 9.945 ( -30.313 -1.218 2.090) 30.410 10.070 ( -21.301 -2.254 -4.281) 21.844 10.264 ( 18.757 -0.922 -3.026) 19.022 11.426 ( 4.741 2.561 1.505) 5.594 11.723 ( -4.705 -5.099 8.809) 11.213 11.853 ( -3.292 -0.381 1.092) 3.489 11.893 ( -1.011 1.311 5.787) 6.019 12.410 ( 1.409 -1.705 -0.464) 2.260 12.517 ( 2.194 6.573 4.992) 8.540 12.759 ( 5.124 2.505 -10.960) 12.355 12.966 ( -3.650 -5.318 -7.571) 9.946 14.806 ( -3.078 -0.107 3.583) 4.725 15.049 ( 1.552 -0.149 -1.374) 2.079 15.855 ( 3.275 0.859 2.981) 4.511 16.067 ( -2.437 -0.612 -2.041) 3.237 21.848 ( -2.283 -1.471 -2.689) 3.822 22.067 ( 3.130 2.793 6.243) 7.521 22.427 ( 1.131 -1.838 -7.706) 8.003 22.582 ( 1.683 0.120 -0.588) 1.787 22.726 ( -3.307 1.122 4.282) 5.525 22.782 ( -1.526 -0.570 2.995) 3.409 23.451 ( 0.359 -0.009 -1.634) 1.673 23.768 ( 0.739 -0.119 -1.429) 1.614 26.448 ( 1.014 2.312 1.091) 2.751 26.499 ( -0.886 -2.573 -0.748) 2.823 27.865 ( -2.785 -1.663 1.479) 3.565 27.969 ( 2.798 1.876 -1.619) 3.738 ======================= Grid point 111 (38/117) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -7.752 1.140 0.119) 7.836 1.989 ( -12.428 -0.209 -7.153) 14.341 2.170 ( -3.680 3.138 0.508) 4.862 2.335 ( 8.259 4.475 4.583) 10.452 2.504 ( -10.428 4.917 -0.501) 11.540 2.854 ( -0.952 2.708 -3.735) 4.711 2.996 ( -5.668 15.078 14.022) 21.356 3.121 ( 1.756 -0.981 -0.079) 2.013 3.142 ( 1.054 -2.737 -0.304) 2.949 3.192 ( 0.484 -7.284 -8.905) 11.515 3.317 ( 3.154 -1.492 -2.320) 4.190 3.461 ( -1.586 3.465 -0.137) 3.813 3.493 ( -2.192 -5.015 0.320) 5.482 3.632 ( 2.205 -4.706 -1.826) 5.508 3.798 ( -0.059 7.539 6.847) 10.184 4.032 ( -1.626 -2.942 7.261) 8.001 4.145 ( -2.184 -0.365 -2.367) 3.241 4.170 ( -5.976 5.327 7.522) 10.985 4.304 ( -4.071 1.039 -7.702) 8.774 4.434 ( -2.410 0.167 -0.238) 2.427 4.486 ( 0.512 2.423 -1.319) 2.806 4.545 ( -3.119 5.482 1.304) 6.440 4.605 ( 1.089 -9.192 -6.629) 11.385 4.784 ( 3.012 3.369 0.057) 4.519 5.231 ( -4.788 5.746 0.314) 7.486 5.312 ( -1.945 4.009 -0.005) 4.456 5.546 ( -2.797 -2.783 4.226) 5.782 5.689 ( 3.059 -6.492 -3.461) 7.967 5.973 ( -8.854 -3.475 -1.121) 9.577 6.030 ( -3.224 3.750 4.694) 6.819 6.125 ( -8.845 -3.326 -6.278) 11.345 6.367 ( 9.057 0.282 -5.175) 10.435 7.290 ( -6.589 3.220 6.335) 9.691 7.492 ( 4.694 -1.888 3.056) 5.910 7.694 ( -4.410 -4.862 -7.099) 9.669 7.769 ( -1.697 0.703 -3.461) 3.918 8.428 ( -18.874 0.883 0.171) 18.895 8.557 ( -26.503 -0.046 2.965) 26.669 8.657 ( -10.304 -3.427 5.443) 12.147 8.941 ( -21.618 0.771 -2.461) 21.771 9.040 ( -15.411 -1.482 5.142) 16.314 9.275 ( 6.670 0.745 5.250) 8.521 9.353 ( -16.000 0.378 -5.586) 16.951 9.442 ( 11.523 -0.502 -1.818) 11.676 9.589 ( 4.552 -4.120 3.848) 7.246 9.922 ( 1.722 -2.729 -7.718) 8.366 10.577 ( 38.463 1.435 -3.572) 38.655 10.800 ( 32.464 1.126 1.765) 32.531 11.485 ( 3.248 0.721 0.246) 3.336 11.676 ( -6.975 -8.281 8.878) 14.002 11.821 ( -0.533 0.726 2.823) 2.964 11.867 ( -0.424 0.599 -0.104) 0.741 12.408 ( -2.784 2.376 -2.358) 4.354 12.484 ( 1.911 5.417 6.884) 8.966 12.775 ( -0.096 2.728 -8.679) 9.098 12.939 ( -4.025 -5.176 -6.680) 9.360 14.710 ( -9.041 -3.857 2.584) 10.163 15.039 ( -3.957 -2.518 -0.503) 4.718 15.941 ( 6.275 0.846 3.081) 7.041 16.046 ( -0.460 -0.315 -2.265) 2.333 21.818 ( -1.580 0.348 -1.712) 2.356 22.082 ( 2.335 4.920 5.371) 7.649 22.428 ( -1.932 -1.348 -8.591) 8.908 22.596 ( -0.593 0.631 -1.509) 1.740 22.619 ( -5.838 3.411 6.268) 9.220 22.729 ( -2.879 0.922 1.569) 3.406 23.596 ( 12.986 -3.327 -0.693) 13.424 23.879 ( 10.934 -0.328 -1.009) 10.985 26.351 ( -10.792 -0.740 1.309) 10.896 26.432 ( -10.233 -4.806 -1.105) 11.359 27.871 ( 1.378 -1.681 0.298) 2.194 28.030 ( 4.932 -0.336 -0.646) 4.985 ======================= Grid point 112 (39/117) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -10.576 0.512 3.226) 11.069 1.716 ( -14.078 6.236 -2.810) 15.652 1.983 ( -11.201 6.061 2.308) 12.943 2.252 ( -4.690 6.261 -0.940) 7.879 2.480 ( 2.365 3.192 3.716) 5.440 2.605 ( -10.341 17.458 0.430) 20.296 2.854 ( -2.362 12.376 3.938) 13.200 3.145 ( -2.648 -3.368 -0.669) 4.337 3.186 ( -2.416 -3.410 2.058) 4.658 3.204 ( -0.679 -2.213 -3.056) 3.834 3.312 ( -6.758 -0.375 -1.075) 6.853 3.469 ( -2.573 -3.603 0.958) 4.530 3.512 ( 3.949 -3.819 -0.936) 5.573 3.577 ( -11.479 2.731 0.627) 11.816 3.711 ( 2.049 3.398 1.304) 4.177 4.021 ( -3.062 -1.176 6.511) 7.291 4.052 ( -1.742 4.863 -4.751) 7.018 4.089 ( -2.821 1.474 -2.870) 4.286 4.267 ( 0.209 3.097 -8.425) 8.979 4.318 ( -6.643 -0.561 -2.084) 6.985 4.482 ( 1.824 1.949 2.975) 3.997 4.516 ( 2.854 1.345 -0.090) 3.157 4.709 ( 0.184 -8.271 -4.151) 9.256 4.780 ( -0.065 2.133 0.761) 2.266 5.085 ( -5.647 2.529 0.096) 6.188 5.256 ( -1.787 1.383 -2.849) 3.636 5.509 ( -4.713 -2.251 6.348) 8.220 5.735 ( -13.349 -2.062 -2.230) 13.690 5.792 ( -3.416 -5.587 -4.861) 8.155 5.908 ( -8.485 0.300 -0.210) 8.493 6.045 ( -2.017 -0.154 1.583) 2.569 6.534 ( 9.317 -0.864 0.174) 9.359 7.131 ( -7.940 3.081 3.317) 9.140 7.541 ( -13.702 0.104 -3.014) 14.030 7.559 ( -7.670 -0.490 -1.482) 7.827 7.691 ( -7.268 -3.629 -4.752) 9.412 8.007 ( -20.034 -0.014 4.196) 20.469 8.169 ( -12.090 -0.372 -2.602) 12.372 8.501 ( -20.287 -1.528 3.703) 20.679 8.530 ( -14.702 -2.032 6.359) 16.147 8.830 ( -9.915 -1.574 -0.395) 10.047 9.046 ( -17.070 0.202 1.231) 17.116 9.418 ( 9.772 -1.746 3.576) 10.551 9.644 ( 8.921 -2.690 -0.891) 9.361 9.822 ( 13.565 -3.031 6.381) 15.294 10.079 ( 11.357 -2.502 -7.774) 13.988 11.100 ( 17.581 -1.945 -2.298) 17.836 11.235 ( 14.150 0.862 -0.582) 14.188 11.494 ( -1.694 -0.699 4.360) 4.730 11.700 ( 5.461 -0.322 -2.488) 6.010 11.773 ( -4.008 -1.217 3.114) 5.219 11.992 ( 17.919 1.353 -2.019) 18.083 12.262 ( -8.363 5.998 -4.107) 11.081 12.495 ( 0.604 -0.432 6.917) 6.956 12.720 ( -2.521 2.760 -3.551) 5.156 12.945 ( 1.155 -4.895 -4.502) 6.750 14.589 ( -9.183 -5.572 0.654) 10.761 14.960 ( -7.896 -3.384 0.725) 8.621 16.022 ( 1.687 0.227 -2.300) 2.861 16.053 ( 1.753 -0.063 3.028) 3.500 21.786 ( -1.073 1.552 -1.001) 2.136 22.063 ( 0.661 5.288 4.764) 7.148 22.387 ( -4.085 -1.537 -6.152) 7.543 22.460 ( -7.400 2.416 3.714) 8.625 22.578 ( -0.305 2.066 -0.700) 2.202 22.684 ( -1.165 2.041 -0.709) 2.454 23.916 ( 17.848 -4.800 0.526) 18.490 24.127 ( 16.009 -0.228 -0.267) 16.013 26.099 ( -19.539 -3.393 2.154) 19.947 26.239 ( -16.639 -5.589 -2.746) 17.766 27.936 ( 4.813 -0.852 -2.207) 5.363 28.143 ( 6.137 -2.800 1.370) 6.883 ======================= Grid point 113 (40/117) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -18.839 3.482 4.615) 19.706 1.369 ( -16.297 13.588 13.721) 25.268 1.829 ( -0.650 2.420 -0.347) 2.530 2.105 ( -7.410 2.401 -0.576) 7.811 2.250 ( -10.674 15.971 -9.694) 21.517 2.405 ( -5.027 10.978 3.770) 12.649 2.449 ( -27.552 19.746 17.389) 38.097 3.108 ( -3.234 -3.013 -0.216) 4.425 3.123 ( -6.420 -5.597 -0.011) 8.517 3.175 ( -7.232 -1.674 -1.583) 7.590 3.199 ( -2.623 0.494 3.405) 4.327 3.434 ( -4.600 -3.514 -0.916) 5.861 3.498 ( 0.977 -2.197 -2.159) 3.231 3.608 ( 1.184 -2.637 -3.193) 4.307 3.724 ( 3.703 4.937 -0.719) 6.213 3.934 ( -3.501 4.061 -13.881) 14.880 3.949 ( -3.491 1.703 -4.137) 5.675 4.035 ( -1.671 6.232 -1.472) 6.618 4.199 ( 1.099 0.773 -3.886) 4.112 4.355 ( 1.988 -3.193 -0.267) 3.770 4.518 ( 1.737 -2.708 1.423) 3.518 4.587 ( 3.389 -2.136 0.353) 4.021 4.683 ( -2.193 1.915 1.027) 3.087 4.821 ( -0.453 -8.051 -3.567) 8.818 5.005 ( -3.194 -0.653 -0.300) 3.274 5.202 ( -4.784 -0.242 -6.893) 8.394 5.419 ( -21.106 -5.227 -5.317) 22.385 5.432 ( -7.266 -1.035 8.166) 10.980 5.719 ( -8.441 2.670 -6.441) 10.948 5.835 ( -0.127 -1.136 -5.286) 5.408 6.065 ( 5.577 1.341 8.753) 10.465 6.679 ( 1.395 -1.419 11.212) 11.387 6.967 ( -5.183 0.773 -6.962) 8.714 7.221 ( -14.386 1.777 -2.673) 14.740 7.267 ( -15.744 1.236 6.243) 16.982 7.619 ( -5.668 -2.846 -6.788) 9.290 7.878 ( -9.836 -4.128 3.172) 11.129 7.998 ( -14.477 0.499 11.226) 18.327 8.155 ( -4.332 3.376 -1.292) 5.642 8.405 ( -4.425 -1.243 0.897) 4.683 8.615 ( -17.721 -3.016 2.564) 18.158 8.829 ( -6.832 -0.519 2.145) 7.180 9.656 ( 14.652 -2.226 2.028) 14.958 9.818 ( 8.772 -2.189 0.897) 9.085 10.079 ( 11.525 -2.476 4.660) 12.676 10.300 ( 9.878 -2.098 -4.535) 11.070 11.196 ( -5.481 -4.377 1.040) 7.091 11.300 ( -3.591 -1.653 -4.109) 5.702 11.523 ( 4.427 0.348 -0.626) 4.485 11.693 ( -6.773 -0.261 -8.485) 10.860 11.823 ( 5.656 3.417 1.464) 6.768 12.044 ( -6.994 4.697 -2.933) 8.921 12.379 ( 18.875 3.554 -0.070) 19.207 12.513 ( 0.526 -3.962 2.406) 4.665 12.665 ( 3.562 2.849 2.947) 5.430 13.110 ( 12.554 -4.183 -2.373) 13.444 14.492 ( -7.559 -5.367 -1.610) 9.410 14.824 ( -10.760 -2.545 2.419) 11.318 16.007 ( -2.163 -0.358 -2.670) 3.455 16.081 ( 0.353 0.393 3.335) 3.376 21.752 ( -0.956 1.706 -0.681) 2.071 22.008 ( -2.751 3.310 4.623) 6.316 22.292 ( -5.577 2.368 6.285) 8.729 22.349 ( -4.915 -1.310 -5.916) 7.802 22.569 ( 0.503 0.268 -2.878) 2.934 22.634 ( -2.487 1.725 -3.494) 4.622 24.276 ( 16.376 -5.673 2.275) 17.479 24.416 ( 16.338 0.735 -0.537) 16.363 25.749 ( -23.418 -4.478 2.424) 23.965 25.949 ( -20.870 -3.293 -6.187) 22.016 28.062 ( 9.114 -0.499 -4.941) 10.379 28.298 ( 6.932 -5.909 4.344) 10.091 ======================= Grid point 114 (41/117) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -20.608 4.852 14.972) 25.931 0.937 ( -17.165 12.820 24.875) 32.829 1.660 ( -25.815 12.273 38.342) 47.824 1.831 ( -15.189 5.980 -9.099) 18.689 1.941 ( -6.975 8.755 -23.413) 25.952 2.023 ( 1.519 0.754 1.178) 2.065 2.220 ( -1.664 9.240 6.283) 11.297 2.970 ( -10.352 -1.804 5.466) 11.845 3.053 ( -5.830 -0.086 3.190) 6.647 3.149 ( -1.817 -1.839 -2.868) 3.861 3.179 ( 0.265 -0.171 -2.468) 2.488 3.385 ( -5.840 -4.176 7.248) 10.202 3.494 ( -2.586 -0.776 -11.423) 11.737 3.602 ( 1.424 2.894 -1.223) 3.450 3.743 ( 2.202 2.757 -9.797) 10.413 3.867 ( -2.180 -1.090 0.130) 2.441 3.932 ( 2.649 1.180 -13.163) 13.479 3.985 ( 3.004 5.196 -3.708) 7.055 4.272 ( 5.429 -1.664 -3.322) 6.579 4.373 ( -1.241 -0.280 5.928) 6.063 4.543 ( -1.287 -1.491 -9.094) 9.305 4.651 ( 0.728 -3.026 1.671) 3.533 4.697 ( -2.798 -4.623 -2.217) 5.841 4.844 ( -5.059 -4.902 -8.153) 10.775 4.907 ( -13.190 0.295 -9.439) 16.222 5.061 ( -9.623 -0.948 -7.755) 12.395 5.086 ( -10.537 -0.852 3.579) 11.161 5.347 ( -4.283 0.023 8.303) 9.343 5.572 ( -1.977 7.822 -3.480) 8.786 5.834 ( 0.108 0.020 -4.162) 4.164 6.236 ( 13.358 -0.616 5.221) 14.355 6.496 ( -14.089 0.309 7.549) 15.987 7.049 ( -1.113 0.150 3.797) 3.960 7.077 ( 0.835 -0.254 0.971) 1.306 7.227 ( 16.745 -7.824 3.826) 18.874 7.393 ( -26.223 2.210 10.041) 28.167 7.595 ( -4.742 1.399 1.872) 5.287 7.882 ( -6.972 -1.307 0.500) 7.112 8.148 ( 2.121 4.645 1.992) 5.482 8.361 ( -11.136 -1.359 6.194) 12.815 8.408 ( 4.103 0.529 -5.073) 6.546 8.751 ( -4.461 -1.881 1.801) 5.166 9.945 ( 12.547 -3.343 1.518) 13.073 9.999 ( 11.742 1.534 3.139) 12.251 10.241 ( 3.768 -2.251 -0.853) 4.472 10.407 ( 0.361 -0.317 -2.002) 2.059 11.169 ( 0.653 -3.056 -4.402) 5.398 11.237 ( -3.608 -1.358 1.301) 4.069 11.411 ( -22.768 -0.106 -10.522) 25.082 11.602 ( 3.263 0.438 -2.494) 4.130 11.807 ( -1.406 1.884 5.288) 5.787 12.037 ( 5.201 0.476 -5.760) 7.775 12.430 ( -3.139 -3.182 4.664) 6.460 12.510 ( -0.075 5.072 1.628) 5.327 12.977 ( 22.525 -0.110 0.398) 22.529 13.380 ( 11.685 -1.823 -2.800) 12.153 14.424 ( -3.936 -3.516 -2.286) 5.752 14.626 ( -13.379 -0.969 3.572) 13.881 15.971 ( -1.253 0.344 -1.148) 1.734 16.059 ( -2.177 0.439 1.387) 2.618 21.727 ( 0.073 0.853 0.594) 1.042 21.911 ( -5.936 0.761 3.597) 6.983 22.185 ( -4.241 2.212 7.391) 8.804 22.290 ( -2.197 -0.749 -4.519) 5.080 22.528 ( -9.939 -4.631 -4.962) 12.036 22.602 ( 2.008 1.825 -7.785) 8.244 24.542 ( 6.562 -5.045 5.937) 10.186 24.684 ( 15.086 1.417 -4.237) 15.733 25.401 ( -20.221 -6.044 0.444) 21.110 25.551 ( -22.149 5.505 -8.506) 24.356 28.254 ( 11.098 -0.797 -4.359) 11.950 28.492 ( 4.889 -9.966 2.643) 11.411 ======================= Grid point 116 (42/117) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 16.158 -0.000 12.490) 20.422 1.311 ( 11.375 -0.000 25.696) 28.101 1.613 ( 5.980 -0.000 -7.681) 9.735 1.862 ( 11.156 -0.000 -6.657) 12.991 2.246 ( 26.420 -0.000 11.034) 28.632 2.422 ( 15.756 -0.000 -1.615) 15.839 2.551 ( 13.819 -0.000 2.041) 13.969 3.070 ( 4.275 -0.000 7.521) 8.651 3.081 ( 12.701 -0.000 -0.909) 12.734 3.187 ( 0.576 -0.000 -1.030) 1.180 3.300 ( 0.019 -0.000 1.192) 1.192 3.412 ( 3.656 -0.000 1.314) 3.885 3.549 ( -12.896 0.000 -8.168) 15.265 3.608 ( 3.506 -0.000 -5.214) 6.283 3.680 ( 4.497 -0.000 3.486) 5.690 3.839 ( 3.883 -0.000 -2.607) 4.677 3.852 ( 2.075 -0.000 -21.033) 21.135 3.994 ( -0.196 0.000 0.316) 0.371 4.280 ( 2.412 -0.000 -2.627) 3.567 4.458 ( -0.182 0.000 -0.046) 0.188 4.534 ( 1.770 -0.000 -1.374) 2.240 4.605 ( -4.991 0.000 1.134) 5.118 4.654 ( -7.403 0.000 -0.665) 7.432 5.018 ( 3.918 -0.000 4.288) 5.808 5.035 ( 4.556 -0.000 -8.666) 9.790 5.120 ( 7.477 -0.000 -5.485) 9.273 5.437 ( 4.054 -0.000 11.334) 12.037 5.456 ( 20.545 -0.000 -14.619) 25.215 5.646 ( 10.200 -0.000 -5.705) 11.687 5.811 ( -0.291 0.000 -2.951) 2.965 6.151 ( -14.901 0.000 19.427) 24.484 6.579 ( 5.374 -0.000 -5.123) 7.425 7.054 ( 20.418 -0.000 -5.438) 21.130 7.200 ( 3.640 -0.000 5.365) 6.483 7.233 ( 8.814 -0.000 3.093) 9.340 7.555 ( 4.798 -0.000 -5.698) 7.449 7.884 ( -0.483 0.000 11.452) 11.462 7.995 ( 9.035 -0.000 1.698) 9.194 8.281 ( 25.731 -0.000 2.368) 25.840 8.496 ( 2.045 -0.000 -0.704) 2.162 8.649 ( 15.060 -0.000 11.316) 18.838 8.820 ( 7.239 -0.000 -1.899) 7.484 9.715 ( -14.057 0.000 3.308) 14.441 9.801 ( -8.569 0.000 -1.623) 8.721 9.984 ( -16.443 0.000 4.114) 16.950 10.322 ( -4.163 0.000 -5.102) 6.585 11.228 ( -4.573 0.000 0.088) 4.573 11.402 ( 9.208 -0.000 -3.409) 9.818 11.515 ( -8.959 0.000 -1.325) 9.056 11.726 ( 11.107 -0.000 -11.339) 15.873 11.766 ( 2.761 -0.000 2.734) 3.886 12.138 ( -8.456 0.000 -1.679) 8.621 12.314 ( -4.726 0.000 4.778) 6.721 12.321 ( 4.647 -0.000 -4.024) 6.147 12.818 ( -18.955 0.000 10.638) 21.736 13.006 ( -8.616 0.000 -8.427) 12.052 14.637 ( 11.838 -0.000 -5.362) 12.996 14.772 ( 7.293 -0.000 6.044) 9.472 15.983 ( -1.367 0.000 -0.924) 1.650 16.116 ( 3.067 -0.000 1.714) 3.514 21.805 ( 0.287 -0.000 -3.342) 3.354 21.972 ( -1.218 0.000 7.811) 7.905 22.103 ( 3.813 -0.000 1.078) 3.962 22.492 ( 6.727 -0.000 0.404) 6.739 22.590 ( 4.702 -0.000 -5.540) 7.266 22.653 ( -0.330 0.000 -4.286) 4.299 24.255 ( -14.696 0.000 0.320) 14.699 24.449 ( -20.478 0.000 2.134) 20.588 25.762 ( 22.806 -0.000 1.912) 22.886 26.048 ( 18.512 -0.000 -7.472) 19.964 27.961 ( 2.304 -0.000 -4.398) 4.964 28.275 ( -9.898 0.000 4.433) 10.845 ======================= Grid point 117 (43/117) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 16.241 -16.057 3.790) 23.151 1.505 ( 8.219 -4.512 10.425) 14.021 1.793 ( 15.654 2.029 0.763) 15.803 2.060 ( 10.724 -3.079 -5.922) 12.631 2.618 ( 3.043 3.155 8.976) 9.989 2.675 ( 14.108 -3.222 -12.116) 18.873 2.708 ( 6.746 -5.643 15.791) 18.075 3.130 ( -1.864 4.545 2.520) 5.520 3.185 ( 5.492 -0.706 2.419) 6.043 3.330 ( 5.081 -0.109 1.764) 5.379 3.348 ( 9.788 -0.921 -7.352) 12.276 3.370 ( -4.968 -3.655 -5.851) 8.501 3.464 ( 4.170 4.219 -3.883) 7.089 3.614 ( 1.112 4.474 0.638) 4.654 3.792 ( 4.454 -2.264 2.149) 5.439 3.832 ( -0.986 1.063 -5.015) 5.220 3.938 ( 5.702 -1.824 0.589) 6.016 4.074 ( 6.053 -4.261 -7.591) 10.603 4.364 ( 5.465 -0.514 -0.016) 5.489 4.412 ( -3.215 -1.324 -6.362) 7.250 4.499 ( -6.622 -0.140 0.565) 6.648 4.528 ( -4.257 -0.740 -0.960) 4.427 4.564 ( 0.674 3.393 5.030) 6.105 5.017 ( 1.076 7.307 0.381) 7.396 5.132 ( 3.206 -4.715 -0.340) 5.712 5.248 ( 7.163 0.370 -4.836) 8.650 5.498 ( 3.391 1.385 7.027) 7.924 5.723 ( 9.584 1.524 -12.352) 15.708 5.830 ( 7.210 2.057 -1.366) 7.621 5.879 ( 11.467 -2.299 -8.477) 14.444 5.941 ( -10.077 -2.181 19.243) 21.831 6.556 ( -4.413 1.544 -5.740) 7.403 7.273 ( 3.175 -1.045 10.085) 10.625 7.418 ( 17.755 -0.890 -5.846) 18.713 7.514 ( 12.560 2.021 -1.185) 12.777 7.630 ( 4.418 -1.512 -7.289) 8.657 8.027 ( 22.047 0.897 7.485) 23.300 8.146 ( 11.935 -0.236 -1.023) 11.981 8.550 ( 3.544 -1.530 4.932) 6.263 8.782 ( 25.487 2.218 4.722) 26.015 8.907 ( 4.663 0.704 1.189) 4.863 8.949 ( 19.571 0.397 1.032) 19.602 9.480 ( -13.069 -0.482 5.314) 14.116 9.647 ( -7.736 2.533 -3.206) 8.748 9.736 ( -9.847 0.140 2.824) 10.245 10.187 ( -9.774 1.871 -5.263) 11.258 11.015 ( -22.115 -0.435 -1.618) 22.179 11.296 ( -20.917 1.164 0.283) 20.951 11.414 ( -2.308 -0.650 -0.036) 2.398 11.793 ( 1.265 3.111 4.785) 5.846 11.916 ( 9.030 1.060 -5.451) 10.601 11.982 ( -4.598 -3.239 -5.515) 7.877 12.224 ( -6.228 -2.448 9.322) 11.475 12.475 ( 10.938 0.817 -12.364) 16.528 12.571 ( -8.388 -0.998 11.450) 14.229 12.939 ( 0.024 0.688 -7.387) 7.418 14.815 ( 9.357 3.771 -3.093) 10.551 14.889 ( 6.143 -0.457 4.044) 7.368 15.937 ( -3.246 0.750 0.169) 3.335 16.138 ( -0.742 -0.144 0.621) 0.978 21.805 ( -1.010 -1.893 -3.415) 4.033 21.979 ( 1.302 -0.616 6.192) 6.358 22.197 ( 5.924 -0.914 0.328) 6.003 22.576 ( 1.877 3.458 -1.656) 4.269 22.628 ( 5.455 0.058 -0.118) 5.456 22.685 ( 0.134 -4.318 -1.606) 4.609 23.970 ( -15.446 3.584 -0.882) 15.881 24.092 ( -19.503 -1.826 1.399) 19.638 26.149 ( 20.401 1.702 2.846) 20.669 26.295 ( 11.444 1.631 -3.546) 12.092 28.003 ( 2.395 1.316 -5.272) 5.938 28.092 ( -10.208 0.204 3.687) 10.856 ======================= Grid point 118 (44/117) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 13.924 -8.129 5.464) 17.024 1.717 ( 10.235 -8.692 -4.057) 14.027 2.061 ( 11.929 0.166 1.914) 12.082 2.273 ( 9.666 -6.184 -0.469) 11.485 2.529 ( -7.994 2.706 2.300) 8.748 2.785 ( 1.416 -2.641 14.260) 14.571 2.918 ( 8.503 -2.671 -10.854) 14.044 3.030 ( -1.581 3.912 2.932) 5.138 3.216 ( -1.114 3.580 -1.438) 4.015 3.339 ( -1.394 -5.163 1.283) 5.499 3.389 ( 0.485 7.435 -1.298) 7.563 3.471 ( 3.308 1.240 -1.439) 3.815 3.572 ( 6.460 0.425 -5.081) 8.230 3.600 ( 1.967 2.888 0.013) 3.494 3.794 ( 2.100 -2.843 -3.624) 5.062 3.899 ( 1.657 -2.879 -2.241) 4.007 4.068 ( 5.470 -0.075 5.129) 7.499 4.170 ( -0.189 -3.125 -2.742) 4.161 4.332 ( -3.067 -1.194 1.236) 3.516 4.469 ( -0.351 -2.290 1.559) 2.793 4.480 ( 1.248 -5.121 -3.524) 6.341 4.502 ( 1.852 3.151 1.671) 4.019 4.558 ( 6.115 0.884 -0.450) 6.194 4.929 ( -2.689 8.679 0.109) 9.087 5.232 ( 2.690 -5.454 0.941) 6.153 5.354 ( 5.031 -0.465 -3.723) 6.276 5.501 ( -1.975 3.033 6.085) 7.080 5.765 ( 0.554 2.730 -5.220) 5.916 5.869 ( -1.730 -4.703 10.289) 11.444 5.994 ( 11.318 2.423 -3.805) 12.184 6.083 ( 9.126 0.101 -5.616) 10.716 6.441 ( -6.963 0.623 -7.177) 10.019 7.327 ( 1.345 -1.109 10.711) 10.852 7.541 ( -0.460 1.348 0.817) 1.642 7.622 ( 0.582 -1.912 -2.467) 3.175 7.720 ( 4.953 -0.121 -9.183) 10.434 8.466 ( 23.294 -0.008 -1.140) 23.322 8.528 ( 18.215 -1.042 7.255) 19.635 8.687 ( 11.646 -2.513 4.110) 12.603 8.940 ( 10.687 3.413 1.547) 11.325 9.125 ( 14.437 2.440 2.730) 14.894 9.217 ( -4.511 2.878 2.090) 5.744 9.401 ( 12.862 -1.859 -3.316) 13.412 9.482 ( -6.820 2.108 -2.466) 7.553 9.673 ( 3.192 -0.147 3.401) 4.667 9.983 ( -6.918 2.459 -6.536) 9.830 10.524 ( -32.018 -2.125 -4.187) 32.361 10.712 ( -40.886 -1.282 3.239) 41.034 11.449 ( 5.848 4.162 -0.495) 7.196 11.751 ( -3.575 1.476 7.894) 8.790 11.923 ( -3.619 0.168 -2.218) 4.248 11.993 ( 0.971 4.979 2.639) 5.718 12.234 ( 1.982 -7.188 1.941) 7.705 12.519 ( 0.325 -2.303 11.359) 11.594 12.668 ( 10.021 0.462 -12.475) 16.008 12.936 ( -0.501 0.179 -9.410) 9.425 14.878 ( 2.042 4.070 3.448) 5.711 14.998 ( 4.564 -0.535 -1.848) 4.953 15.876 ( -1.673 1.268 1.845) 2.795 16.102 ( -3.120 -0.468 -0.910) 3.284 21.803 ( -1.676 -3.198 -2.750) 4.539 22.030 ( 3.556 -0.327 5.566) 6.613 22.312 ( 5.526 -1.230 -2.280) 6.103 22.575 ( 1.872 2.155 -0.810) 2.967 22.705 ( 0.250 -3.516 0.711) 3.596 22.749 ( 5.204 0.475 1.122) 5.345 23.666 ( -12.977 5.234 -0.809) 14.016 23.835 ( -11.539 -2.610 -0.883) 11.863 26.414 ( 10.387 2.317 1.651) 10.769 26.433 ( 5.884 0.463 -1.483) 6.085 27.928 ( -8.000 -0.482 2.316) 8.342 28.012 ( 0.736 2.246 -2.918) 3.755 ======================= Grid point 119 (45/117) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 3.577 3.081 -1.162) 4.861 2.008 ( 11.947 -3.095 -1.224) 12.402 2.148 ( 0.110 -2.948 -0.797) 3.056 2.329 ( -9.863 1.434 1.110) 10.029 2.555 ( 10.008 -12.704 1.657) 16.257 2.849 ( 0.693 -2.098 0.418) 2.249 2.976 ( 3.775 4.933 4.532) 7.690 3.085 ( 4.756 1.407 -0.680) 5.006 3.137 ( -0.294 6.488 -1.354) 6.634 3.289 ( -3.213 4.736 3.139) 6.527 3.366 ( -0.540 -3.863 2.242) 4.499 3.440 ( -2.516 2.272 -3.486) 4.863 3.573 ( -0.641 4.005 -2.248) 4.638 3.628 ( 2.068 4.381 -4.529) 6.632 3.895 ( 0.594 -4.122 -0.247) 4.172 3.951 ( 2.760 -4.223 -1.169) 5.179 4.088 ( -3.318 -0.600 6.986) 7.757 4.168 ( -2.188 -8.432 -4.496) 9.803 4.359 ( 3.123 2.287 2.780) 4.766 4.440 ( -0.029 3.559 -1.009) 3.699 4.495 ( 1.242 -0.073 3.129) 3.367 4.610 ( 3.985 -3.232 -2.189) 5.579 4.696 ( 6.872 2.251 -0.571) 7.254 4.776 ( -4.092 7.100 0.965) 8.251 5.320 ( 1.285 -5.184 1.773) 5.628 5.403 ( -5.180 1.789 5.216) 7.565 5.441 ( 3.420 -3.343 -2.649) 5.467 5.702 ( -3.562 5.804 -2.247) 7.171 5.920 ( 1.100 -3.628 -0.018) 3.791 6.139 ( 5.878 3.008 0.279) 6.609 6.185 ( 3.210 1.314 -2.254) 4.137 6.304 ( -6.539 -0.914 -9.080) 11.227 7.357 ( 0.875 -1.300 7.928) 8.081 7.485 ( -4.605 0.927 5.793) 7.458 7.602 ( -4.669 -5.442 -5.626) 9.114 7.774 ( 1.150 -0.373 -7.459) 7.556 8.644 ( -2.162 -1.819 5.620) 6.290 8.676 ( -3.742 1.989 6.011) 7.355 8.893 ( 12.166 -3.521 -2.933) 13.000 9.068 ( -8.149 0.455 2.353) 8.494 9.137 ( -12.657 -1.452 0.552) 12.752 9.277 ( 8.114 3.935 2.095) 9.258 9.333 ( 7.713 4.569 -0.227) 8.968 9.546 ( -6.359 -0.363 -9.599) 11.520 9.923 ( 32.099 2.013 1.868) 32.217 9.932 ( -34.314 -0.245 2.519) 34.408 10.022 ( -23.520 -2.747 -4.506) 24.105 10.243 ( 24.377 -1.367 -2.841) 24.580 11.508 ( 5.706 6.102 -1.540) 8.495 11.651 ( -8.237 -2.625 11.548) 14.426 11.856 ( -2.586 0.361 -2.384) 3.536 11.942 ( -1.813 3.609 6.216) 7.413 12.337 ( 1.966 -5.429 0.043) 5.774 12.570 ( 2.040 -0.863 10.208) 10.446 12.800 ( 5.617 0.771 -9.595) 11.145 12.901 ( -3.211 -0.546 -12.347) 12.769 14.811 ( -7.173 0.603 3.910) 8.192 15.036 ( -1.046 -1.030 -1.839) 2.353 15.883 ( 4.151 1.904 3.518) 5.765 16.056 ( -2.194 -0.552 -2.447) 3.332 21.804 ( -1.333 -2.955 -1.736) 3.677 22.103 ( 4.548 1.153 5.726) 7.403 22.394 ( 2.115 -1.513 -6.689) 7.177 22.601 ( 2.785 1.716 0.251) 3.281 22.724 ( -0.890 -1.226 2.494) 2.918 22.802 ( 1.277 2.378 2.400) 3.612 23.479 ( -2.271 2.860 -1.081) 3.809 23.747 ( -0.367 -2.043 -1.843) 2.776 26.452 ( -3.512 -2.220 -2.439) 4.818 26.486 ( -1.918 1.590 2.709) 3.680 27.836 ( -3.218 -1.425 0.640) 3.577 28.003 ( 0.875 1.714 -0.748) 2.064 ======================= Grid point 120 (46/117) ======================= q-point: (-0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -4.450 8.206 -1.629) 9.476 1.993 ( -10.144 0.543 -5.448) 11.527 2.206 ( 0.416 -0.295 0.647) 0.824 2.338 ( 10.041 -1.117 2.656) 10.446 2.699 ( -7.381 10.836 0.033) 13.111 2.815 ( 4.524 -6.572 -2.095) 8.249 3.040 ( 1.615 -6.363 4.217) 7.802 3.078 ( -0.700 3.143 -3.843) 5.014 3.145 ( 1.823 3.780 1.797) 4.565 3.221 ( -1.060 4.807 5.040) 7.045 3.358 ( -1.268 2.941 -8.328) 8.922 3.420 ( 1.558 -3.059 1.772) 3.863 3.544 ( -0.062 0.722 0.499) 0.880 3.585 ( 0.828 4.780 -0.444) 4.872 3.928 ( 1.735 1.978 3.872) 4.681 3.992 ( -1.143 0.756 3.451) 3.713 4.052 ( -3.179 -7.083 4.880) 9.170 4.207 ( -4.087 -5.063 -0.024) 6.507 4.347 ( -2.289 2.413 -2.934) 4.435 4.423 ( -1.627 -0.318 2.564) 3.053 4.473 ( -0.723 2.694 -4.170) 5.017 4.602 ( -0.526 6.399 -6.593) 9.203 4.656 ( 1.250 5.964 4.257) 7.434 4.830 ( 4.553 0.842 -0.223) 4.636 5.293 ( -4.713 0.495 3.183) 5.709 5.372 ( -1.739 -0.400 0.637) 1.894 5.522 ( -3.386 -0.444 1.090) 3.585 5.567 ( -1.003 -3.215 -1.921) 3.877 5.928 ( -4.059 -1.088 -3.679) 5.585 6.044 ( -13.548 -2.359 -3.851) 14.281 6.127 ( -2.865 3.849 4.099) 6.310 6.370 ( 8.461 0.097 -5.205) 9.935 7.335 ( -6.293 1.649 4.280) 7.787 7.440 ( 1.156 -3.639 5.512) 6.705 7.578 ( -4.239 -7.201 -5.804) 10.174 7.762 ( -3.973 -1.845 -5.503) 7.034 8.441 ( -18.857 0.623 0.410) 18.872 8.559 ( -25.068 0.408 2.046) 25.154 8.613 ( -12.845 -1.284 0.122) 12.910 8.925 ( -21.442 -1.970 -1.761) 21.604 9.019 ( -11.158 -1.194 5.458) 12.479 9.303 ( 2.581 2.306 4.773) 5.896 9.336 ( -19.087 -1.267 -2.656) 19.313 9.439 ( 2.561 -1.061 -2.012) 3.425 9.543 ( 8.914 -0.484 4.701) 10.090 9.871 ( 2.478 -2.576 -7.517) 8.323 10.601 ( 37.564 1.128 -3.537) 37.747 10.821 ( 34.292 1.148 0.832) 34.321 11.530 ( 0.968 3.701 0.870) 3.923 11.543 ( -5.968 -5.204 8.731) 11.787 11.844 ( 1.942 1.331 0.252) 2.368 11.881 ( -1.866 0.794 0.517) 2.093 12.388 ( -0.854 -3.061 0.132) 3.181 12.583 ( -0.037 3.477 9.066) 9.710 12.825 ( -2.992 2.166 -12.310) 12.852 12.845 ( -2.274 -4.005 -5.507) 7.179 14.648 ( -11.264 -2.674 2.846) 11.922 14.986 ( -6.346 -3.078 -0.789) 7.097 15.970 ( 6.748 2.102 3.660) 7.959 16.037 ( -0.649 -0.537 -2.759) 2.885 21.809 ( -0.484 -1.427 -0.564) 1.609 22.156 ( 2.984 3.070 5.878) 7.272 22.409 ( -1.184 -1.077 -10.287) 10.411 22.622 ( 0.290 1.919 0.754) 2.082 22.681 ( -3.280 2.611 4.719) 6.312 22.762 ( -1.057 3.682 0.776) 3.908 23.556 ( 11.061 -1.150 0.161) 11.122 23.856 ( 9.989 -2.024 -1.873) 10.363 26.330 ( -14.349 -2.560 0.182) 14.577 26.345 ( -12.411 -3.362 -0.090) 12.859 27.841 ( 1.966 -1.455 -0.551) 2.507 28.025 ( 2.556 -0.207 0.529) 2.618 ======================= Grid point 121 (47/117) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -8.374 6.597 -3.034) 11.084 1.828 ( -4.509 4.764 -1.440) 6.716 2.114 ( -8.136 7.994 2.850) 11.757 2.414 ( -5.074 8.016 0.060) 9.487 2.553 ( 9.432 6.933 4.158) 12.422 2.856 ( -4.207 8.555 -6.942) 11.794 2.970 ( -6.786 -2.418 -4.429) 8.456 3.067 ( -1.615 0.259 4.718) 4.993 3.124 ( -3.806 -5.585 4.518) 8.129 3.211 ( 1.505 3.424 -2.295) 4.388 3.321 ( -1.121 2.765 -5.263) 6.050 3.467 ( 3.001 0.148 0.754) 3.098 3.505 ( 1.038 5.016 -0.217) 5.127 3.654 ( 2.862 0.104 1.515) 3.240 3.813 ( -8.532 11.472 8.137) 16.450 3.950 ( -3.756 -3.818 6.692) 8.572 4.077 ( -3.317 -5.676 1.073) 6.662 4.118 ( -0.545 1.377 6.598) 6.762 4.256 ( -3.737 2.106 -4.315) 6.084 4.397 ( -1.861 4.681 -6.509) 8.231 4.497 ( 0.632 -6.665 -7.301) 9.906 4.546 ( -0.783 4.140 -3.007) 5.176 4.616 ( 1.169 4.401 2.415) 5.154 4.849 ( 0.139 3.643 -2.747) 4.565 5.167 ( -8.178 5.936 -0.060) 10.105 5.255 ( -6.648 -0.974 -2.327) 7.110 5.463 ( -3.422 -3.130 8.266) 9.478 5.671 ( -2.112 -7.837 -3.434) 8.813 5.706 ( -14.291 -1.149 -1.523) 14.417 5.895 ( -8.786 -1.713 -7.619) 11.755 6.042 ( -2.110 0.913 7.975) 8.300 6.516 ( 7.545 -0.862 0.096) 7.595 7.184 ( -8.222 2.425 1.643) 8.728 7.498 ( -1.824 -5.017 1.402) 5.520 7.531 ( -11.226 -2.900 -6.856) 13.470 7.637 ( -11.057 -2.141 -2.053) 11.448 8.002 ( -24.200 -0.392 4.184) 24.562 8.136 ( -16.334 -3.169 -4.530) 17.244 8.454 ( -10.387 -2.466 0.560) 10.690 8.507 ( -22.846 -0.764 3.939) 23.195 8.816 ( -11.288 -0.644 -0.310) 11.311 9.021 ( -18.240 -2.425 -0.863) 18.421 9.388 ( 8.485 -1.350 3.440) 9.255 9.600 ( 8.556 -2.296 1.474) 8.981 9.777 ( 14.140 -1.636 7.607) 16.140 10.016 ( 9.291 -3.959 -6.193) 11.847 11.073 ( 12.392 -0.993 -2.122) 12.612 11.229 ( 7.182 -1.605 -1.970) 7.619 11.501 ( 1.671 1.818 2.875) 3.790 11.656 ( 12.836 -2.343 6.488) 14.572 11.815 ( 1.412 3.661 -2.410) 4.604 12.012 ( 17.048 0.297 -4.740) 17.697 12.334 ( -7.710 1.146 -4.123) 8.818 12.515 ( -3.133 3.048 8.109) 9.212 12.759 ( -1.926 1.278 -2.506) 3.409 12.843 ( -0.850 -5.813 -3.803) 6.998 14.498 ( -8.845 -3.902 0.463) 9.679 14.884 ( -8.927 -4.658 0.550) 10.085 16.021 ( -1.273 -0.564 -4.049) 4.282 16.064 ( 4.436 1.549 4.780) 6.703 21.808 ( -0.084 0.641 0.365) 0.742 22.148 ( -0.803 3.343 4.649) 5.782 22.378 ( -1.708 0.810 -9.813) 9.993 22.512 ( -8.264 2.755 3.691) 9.461 22.634 ( -0.456 2.923 3.291) 4.425 22.727 ( 0.677 4.165 -2.233) 4.774 23.837 ( 16.622 -3.902 1.850) 17.174 24.105 ( 15.484 -1.935 -1.791) 15.707 26.029 ( -21.926 -4.031 1.656) 22.355 26.124 ( -17.619 -6.548 -2.267) 18.933 27.918 ( 5.384 -1.003 -1.937) 5.809 28.094 ( 3.635 -2.433 1.950) 4.789 ======================= Grid point 122 (48/117) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -12.430 7.728 -0.354) 14.640 1.668 ( -8.025 17.674 11.245) 22.432 1.917 ( 0.070 4.423 2.139) 4.914 2.225 ( -6.983 12.311 -2.917) 14.451 2.556 ( -4.820 15.654 -8.693) 18.544 2.613 ( -5.142 12.347 -1.214) 13.430 2.845 ( -13.928 11.239 12.175) 21.645 2.985 ( -9.764 -5.459 2.510) 11.464 3.062 ( 0.362 -1.439 0.205) 1.498 3.158 ( -6.814 4.345 -5.410) 9.725 3.231 ( -3.983 2.340 3.599) 5.856 3.401 ( -4.331 2.535 4.534) 6.763 3.530 ( 0.912 4.172 -1.877) 4.665 3.581 ( 5.585 1.172 -2.158) 6.101 3.803 ( 5.307 2.733 -0.267) 5.976 3.925 ( -3.238 -3.999 3.933) 6.477 4.025 ( -4.163 3.130 -7.447) 9.088 4.129 ( 1.691 3.667 4.202) 5.827 4.196 ( -4.245 -4.433 -1.015) 6.221 4.321 ( 1.736 4.528 -10.683) 11.732 4.482 ( -3.851 -1.743 -0.702) 4.286 4.563 ( 3.132 0.401 1.183) 3.372 4.646 ( 0.439 -5.737 -1.702) 6.000 4.769 ( -5.245 3.450 -2.241) 6.666 5.000 ( -5.217 0.799 -3.547) 6.359 5.164 ( -7.534 -3.737 -6.145) 10.416 5.351 ( -19.930 -2.318 -1.463) 20.118 5.417 ( -5.160 -1.063 8.471) 9.976 5.738 ( -7.460 -0.358 -5.408) 9.221 5.788 ( 3.073 -4.069 -3.478) 6.172 6.068 ( 4.240 -1.036 6.374) 7.725 6.635 ( 1.487 -2.944 9.847) 10.384 6.987 ( -11.041 1.175 -5.995) 12.619 7.255 ( -13.243 1.842 -1.332) 13.437 7.303 ( -15.652 2.212 2.745) 16.044 7.536 ( -4.600 -5.955 -4.423) 8.728 7.799 ( -12.506 -4.445 1.229) 13.329 7.963 ( -10.119 -4.674 10.505) 15.317 8.215 ( -4.816 2.698 -6.040) 8.183 8.340 ( -5.821 -5.480 2.091) 8.264 8.580 ( -16.561 -0.967 -1.732) 16.680 8.792 ( -10.211 -3.435 1.030) 10.823 9.611 ( 14.044 -2.465 1.675) 14.357 9.769 ( 8.627 -2.934 3.074) 9.617 10.033 ( 11.325 -2.322 3.330) 12.031 10.233 ( 9.759 -4.831 0.216) 10.891 11.110 ( -5.284 -4.625 0.506) 7.040 11.240 ( -6.205 -4.885 -4.606) 9.142 11.546 ( 4.788 2.215 -2.859) 6.001 11.692 ( -6.171 1.296 -1.541) 6.491 11.919 ( 4.425 5.380 -3.535) 7.812 12.115 ( -8.146 2.806 -2.480) 8.966 12.441 ( 9.825 -3.330 2.751) 10.733 12.461 ( 14.374 4.512 3.045) 15.370 12.709 ( -0.926 1.808 1.926) 2.800 13.010 ( 13.281 -6.313 -1.294) 14.762 14.406 ( -5.417 -3.201 -2.514) 6.776 14.756 ( -10.735 -4.643 2.448) 11.950 15.989 ( -3.046 -1.522 -2.575) 4.269 16.101 ( 1.357 1.829 2.972) 3.744 21.790 ( -0.554 2.160 0.509) 2.287 22.069 ( -5.292 2.602 3.566) 6.891 22.327 ( -3.632 0.394 -7.152) 8.032 22.353 ( -5.506 2.886 4.023) 7.405 22.577 ( -5.189 0.061 3.666) 6.353 22.695 ( 1.253 5.964 -5.083) 7.936 24.171 ( 14.991 -5.720 3.885) 16.509 24.408 ( 16.509 -1.399 -2.974) 16.833 25.661 ( -23.508 -4.617 1.821) 24.026 25.860 ( -18.351 -6.105 -4.278) 19.808 28.047 ( 8.204 -1.179 -3.480) 8.989 28.192 ( 3.154 -5.070 4.409) 7.422 ======================= Grid point 123 (49/117) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -13.660 12.138 11.979) 21.850 1.283 ( -11.756 22.036 20.345) 32.214 1.929 ( -14.480 2.598 -10.254) 17.932 1.971 ( 4.123 16.317 8.117) 18.685 2.194 ( -13.817 24.222 14.001) 31.203 2.270 ( -5.857 19.944 -17.224) 26.995 2.483 ( -5.357 18.994 7.722) 21.191 2.894 ( -8.025 -6.160 3.931) 10.853 3.035 ( -5.661 -1.939 -0.275) 5.990 3.110 ( 0.676 -1.900 -2.771) 3.427 3.181 ( -0.555 1.235 2.280) 2.652 3.335 ( -2.638 -0.032 6.190) 6.729 3.494 ( -2.276 1.408 -6.140) 6.698 3.660 ( 4.167 3.008 -1.728) 5.422 3.816 ( 0.414 4.467 -2.628) 5.199 3.896 ( -3.017 3.186 1.791) 4.739 3.961 ( 2.964 2.115 -16.718) 17.110 4.093 ( 2.384 5.882 -3.162) 7.090 4.217 ( 2.482 -4.602 -0.682) 5.273 4.353 ( -0.425 -1.870 3.292) 3.810 4.465 ( -0.756 -5.535 -4.689) 7.293 4.588 ( -11.105 -2.129 -0.363) 11.313 4.637 ( 2.783 -1.378 0.551) 3.153 4.723 ( -1.837 -7.494 -2.341) 8.063 4.905 ( -7.663 -0.304 -8.343) 11.332 5.031 ( -6.535 -1.668 -2.585) 7.223 5.088 ( -9.784 0.804 -3.183) 10.320 5.337 ( -4.557 -1.222 5.992) 7.626 5.683 ( 1.364 2.193 -8.760) 9.133 5.840 ( 0.818 0.355 -5.363) 5.436 6.214 ( 10.895 -1.677 4.122) 11.769 6.494 ( -14.152 -0.960 7.557) 16.072 7.007 ( 8.066 -5.991 1.426) 10.149 7.065 ( -9.554 -0.783 -0.061) 9.586 7.130 ( -2.708 -0.487 9.073) 9.480 7.427 ( -15.453 0.927 5.330) 16.373 7.583 ( -3.180 -2.763 6.708) 7.921 7.861 ( -7.193 -1.133 3.079) 7.906 8.193 ( -4.574 -0.876 -2.153) 5.130 8.319 ( -3.349 -3.055 -0.392) 4.550 8.410 ( 3.892 -1.438 -6.351) 7.587 8.684 ( -7.189 -5.102 -0.818) 8.853 9.887 ( 12.583 -3.135 2.211) 13.155 9.984 ( 12.536 -2.652 3.762) 13.354 10.185 ( 2.438 -3.820 -2.270) 5.068 10.388 ( 2.677 -1.438 1.353) 3.326 11.095 ( 0.654 -4.414 -2.643) 5.186 11.169 ( -6.716 -5.854 -0.449) 8.921 11.420 ( -19.709 1.141 -5.852) 20.591 11.617 ( 3.433 1.187 -4.075) 5.459 11.853 ( -2.209 2.425 4.028) 5.195 12.062 ( 1.197 2.380 -4.587) 5.304 12.388 ( -4.555 -1.368 8.790) 9.994 12.612 ( 0.588 5.387 0.502) 5.442 12.975 ( 23.606 -0.046 -0.302) 23.608 13.321 ( 12.740 -4.173 -1.530) 13.493 14.367 ( -0.577 -1.476 -3.648) 3.977 14.581 ( -13.358 -3.730 3.474) 14.298 15.959 ( -1.323 -1.746 -1.229) 2.511 16.084 ( -1.172 2.157 0.388) 2.485 21.755 ( -0.688 2.078 0.710) 2.301 21.929 ( -7.578 1.051 2.589) 8.077 22.248 ( -4.328 1.398 3.105) 5.507 22.270 ( -2.472 0.725 -3.333) 4.212 22.435 ( -12.169 -2.811 4.709) 13.348 22.673 ( 2.949 5.976 -6.751) 9.486 24.432 ( 7.490 -6.200 5.907) 11.377 24.688 ( 13.244 -1.120 -5.510) 14.388 25.321 ( -17.510 -2.676 2.248) 17.855 25.597 ( -14.361 -0.771 -7.920) 16.419 28.219 ( 7.938 -3.678 -1.584) 8.891 28.289 ( 0.185 -8.299 5.914) 10.192 ======================= Grid point 124 (50/117) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 8.647 14.626 23.275) 28.817 0.966 ( -0.683 25.377 24.071) 34.984 1.586 ( -5.844 29.741 40.886) 50.896 1.644 ( -6.297 7.538 -14.673) 17.657 2.054 ( 5.080 15.578 -26.016) 30.746 2.151 ( 4.043 7.842 3.680) 9.560 2.282 ( -3.460 10.847 4.265) 12.158 2.828 ( -1.531 -2.278 3.942) 4.803 3.009 ( 3.510 -2.274 2.956) 5.121 3.081 ( -1.706 1.107 1.519) 2.539 3.194 ( 0.704 -1.166 0.347) 1.405 3.316 ( -0.207 0.278 7.628) 7.636 3.461 ( 0.267 -0.499 -12.065) 12.078 3.660 ( -0.194 3.309 1.223) 3.533 3.792 ( 1.159 3.740 -11.287) 11.947 3.835 ( -1.043 0.601 -1.244) 1.731 3.952 ( -1.816 1.815 -9.640) 9.976 4.141 ( -3.713 4.249 -7.877) 9.689 4.288 ( -3.850 -4.219 0.377) 5.724 4.333 ( 9.585 0.282 5.116) 10.869 4.376 ( -1.327 0.117 8.503) 8.606 4.534 ( 1.146 -2.102 -10.026) 10.308 4.702 ( 0.586 -2.086 0.826) 2.319 4.756 ( 0.076 -5.713 -0.358) 5.725 4.860 ( 3.655 0.329 -11.781) 12.339 4.925 ( -3.954 0.108 -11.656) 12.309 5.028 ( 0.355 -1.267 7.466) 7.581 5.304 ( -0.366 -0.963 5.501) 5.597 5.658 ( 0.615 8.999 -9.826) 13.339 5.832 ( -0.362 -0.006 -3.882) 3.899 6.331 ( -2.565 -1.307 2.466) 3.791 6.478 ( 13.843 -1.698 -3.209) 14.311 6.804 ( -22.293 -3.953 14.050) 26.646 7.138 ( 6.482 1.455 11.679) 13.437 7.239 ( 7.114 5.481 4.631) 10.104 7.315 ( 0.740 -15.346 4.221) 15.933 7.651 ( -4.503 -4.561 1.764) 6.648 7.776 ( 4.327 -1.981 -1.118) 4.889 8.094 ( -0.210 -2.954 12.098) 12.455 8.414 ( 7.060 0.017 -8.896) 11.357 8.498 ( 2.726 2.831 -11.028) 11.707 8.607 ( -7.742 -4.222 -6.092) 10.718 10.033 ( -2.013 -2.106 4.235) 5.141 10.126 ( -3.302 -2.838 3.436) 5.546 10.270 ( 4.042 -2.640 -4.601) 6.669 10.379 ( -0.679 0.375 -3.459) 3.545 10.979 ( -8.788 -1.513 1.360) 9.021 11.227 ( 5.305 -2.405 -7.061) 9.153 11.266 ( 4.840 -1.973 10.478) 11.709 11.635 ( -0.109 1.292 -4.203) 4.399 11.809 ( -0.828 3.008 4.139) 5.183 12.081 ( 1.667 -1.575 -6.953) 7.322 12.333 ( -3.800 -2.819 8.788) 9.980 12.572 ( -0.347 5.616 1.338) 5.784 13.263 ( 6.160 0.400 1.224) 6.293 13.426 ( -5.156 -2.688 -5.378) 7.920 14.400 ( -5.659 -2.440 0.772) 6.211 14.454 ( 7.163 -0.427 -0.436) 7.189 15.981 ( 2.017 -1.017 -0.099) 2.261 16.024 ( -2.836 2.038 -2.030) 4.039 21.804 ( 4.649 -1.569 1.531) 5.140 21.840 ( 5.851 -0.281 0.379) 5.870 22.132 ( -8.922 -1.973 4.403) 10.143 22.206 ( -4.894 2.041 7.276) 9.004 22.309 ( 0.914 0.317 0.858) 1.293 22.679 ( 2.982 4.433 -7.270) 9.023 24.545 ( -0.644 -4.458 5.400) 7.032 24.846 ( 2.273 -1.657 -5.549) 6.221 25.171 ( 2.244 -0.242 3.958) 4.556 25.411 ( -0.608 6.369 -11.015) 12.738 28.243 ( -15.870 -10.890 10.294) 21.827 28.389 ( 4.237 -2.499 -0.713) 4.971 ======================= Grid point 127 (51/117) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 20.518 -0.000 3.868) 20.880 1.653 ( 10.828 -0.000 3.565) 11.399 2.096 ( 16.353 -0.000 5.591) 17.282 2.206 ( 4.805 -0.000 -4.260) 6.422 2.571 ( -7.723 0.000 -0.349) 7.731 2.742 ( 0.435 -0.000 15.127) 15.133 2.888 ( 11.854 -0.000 -8.133) 14.376 3.087 ( -2.605 0.000 2.014) 3.293 3.251 ( -3.043 0.000 -3.388) 4.554 3.256 ( 2.491 -0.000 3.867) 4.600 3.489 ( 5.377 -0.000 -9.885) 11.253 3.497 ( 6.290 -0.000 0.880) 6.352 3.550 ( 5.259 -0.000 -4.711) 7.061 3.619 ( -2.330 0.000 2.490) 3.410 3.798 ( -1.529 0.000 -4.307) 4.570 3.861 ( 2.050 -0.000 -3.957) 4.456 4.084 ( 7.835 -0.000 4.034) 8.812 4.138 ( 1.956 -0.000 -4.531) 4.936 4.308 ( -4.075 0.000 -1.957) 4.521 4.392 ( -2.098 0.000 -0.496) 2.156 4.450 ( 2.833 -0.000 2.830) 4.004 4.527 ( 4.781 -0.000 -1.652) 5.058 4.597 ( 1.157 -0.000 5.467) 5.588 5.060 ( -2.005 0.000 -4.700) 5.110 5.138 ( 2.096 -0.000 5.869) 6.232 5.347 ( 4.075 -0.000 -4.036) 5.736 5.529 ( -2.546 0.000 6.728) 7.194 5.794 ( 1.513 -0.000 -5.808) 6.002 5.821 ( -0.954 0.000 10.761) 10.803 6.029 ( 10.937 -0.000 -6.969) 12.969 6.072 ( 10.077 -0.000 -2.871) 10.478 6.446 ( -7.916 0.000 -7.695) 11.039 7.315 ( 1.579 -0.000 11.706) 11.812 7.547 ( -1.129 0.000 -4.058) 4.212 7.606 ( -1.626 0.000 4.276) 4.575 7.719 ( 6.190 -0.000 -11.552) 13.106 8.466 ( 23.013 -0.000 -1.454) 23.059 8.518 ( 17.046 -0.000 8.002) 18.831 8.663 ( 12.872 -0.000 3.758) 13.410 8.972 ( 10.258 -0.000 2.287) 10.510 9.150 ( 14.625 -0.000 3.084) 14.947 9.252 ( -11.352 0.000 3.993) 12.034 9.374 ( 20.679 -0.000 -5.503) 21.398 9.503 ( -8.466 0.000 -3.845) 9.298 9.671 ( 3.471 -0.000 4.407) 5.609 10.006 ( -7.875 0.000 -5.791) 9.775 10.504 ( -32.192 0.000 -4.095) 32.452 10.699 ( -41.065 0.000 3.392) 41.205 11.493 ( 7.146 -0.000 -0.793) 7.190 11.772 ( -5.717 0.000 8.719) 10.426 11.920 ( -2.194 0.000 -7.262) 7.586 12.100 ( 8.973 -0.000 -7.017) 11.390 12.107 ( -5.313 0.000 12.752) 13.814 12.487 ( -0.876 0.000 14.828) 14.854 12.670 ( 9.846 -0.000 -12.056) 15.566 12.943 ( -0.190 0.000 -10.888) 10.890 14.929 ( -1.154 0.000 5.954) 6.065 14.980 ( 5.817 -0.000 -4.605) 7.419 15.890 ( -1.486 0.000 2.002) 2.493 16.098 ( -3.159 0.000 -0.960) 3.301 21.772 ( -1.430 0.000 -2.358) 2.758 22.024 ( 3.922 -0.000 4.306) 5.824 22.303 ( 5.853 -0.000 -0.274) 5.859 22.626 ( 1.376 -0.000 -2.310) 2.688 22.640 ( 0.791 -0.000 1.878) 2.038 22.755 ( 6.277 -0.000 0.353) 6.286 23.756 ( -15.817 0.000 1.080) 15.854 23.771 ( -9.200 0.000 -2.722) 9.594 26.432 ( 3.638 -0.000 -3.208) 4.850 26.441 ( 10.794 -0.000 3.324) 11.295 27.924 ( -8.520 0.000 2.220) 8.804 28.034 ( 0.466 -0.000 -2.923) 2.960 ======================= Grid point 128 (52/117) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 12.029 0.430 3.520) 12.540 1.896 ( 15.265 -5.526 0.010) 16.234 2.159 ( -5.028 2.983 -0.110) 5.847 2.356 ( -0.474 -3.829 7.668) 8.583 2.419 ( 3.005 1.857 -1.397) 3.798 2.782 ( 1.897 -3.177 3.901) 5.377 3.060 ( 5.874 2.698 -3.098) 7.168 3.105 ( 6.337 1.083 0.243) 6.434 3.213 ( 0.123 1.084 -1.364) 1.746 3.278 ( -1.631 -3.402 1.380) 4.017 3.462 ( -2.988 10.880 -0.210) 11.285 3.503 ( -0.653 5.440 -1.852) 5.783 3.617 ( 1.170 -3.648 0.408) 3.853 3.658 ( 2.200 -3.136 -5.374) 6.600 3.794 ( 0.343 -1.151 -6.347) 6.460 3.861 ( -2.054 -4.471 -5.382) 7.292 4.054 ( -7.008 -1.593 3.152) 7.847 4.121 ( -0.996 1.405 -4.704) 5.010 4.392 ( 5.538 0.956 2.413) 6.116 4.435 ( 3.900 -3.307 3.818) 6.382 4.491 ( 1.439 -0.721 2.962) 3.371 4.617 ( 7.078 3.621 0.476) 7.965 4.674 ( 7.254 -2.311 2.071) 7.890 4.958 ( -3.695 9.103 -1.449) 9.930 5.199 ( 0.192 -6.655 3.109) 7.348 5.395 ( -0.409 -1.111 2.623) 2.878 5.425 ( -5.998 0.036 4.762) 7.658 5.782 ( -2.095 2.415 -2.998) 4.383 5.882 ( 4.559 -0.789 -1.652) 4.912 6.185 ( 6.584 1.831 -0.750) 6.875 6.202 ( 3.036 0.282 -0.626) 3.112 6.287 ( -7.591 -0.730 -9.988) 12.567 7.336 ( 0.288 -0.701 10.440) 10.468 7.484 ( -5.339 -0.870 -3.274) 6.324 7.531 ( -6.804 -1.606 2.554) 7.443 7.762 ( -0.879 -0.589 -9.141) 9.202 8.624 ( -1.249 -0.477 4.073) 4.286 8.708 ( -3.515 1.196 7.552) 8.416 8.839 ( 12.883 -1.862 -3.835) 13.570 9.073 ( -4.773 0.039 3.074) 5.678 9.119 ( -21.152 -0.382 0.146) 21.156 9.350 ( 12.314 3.287 1.481) 12.831 9.383 ( 5.486 0.654 0.845) 5.589 9.536 ( -5.068 -0.492 -9.491) 10.771 9.932 ( -24.349 0.225 2.835) 24.514 9.955 ( 11.544 1.288 2.305) 11.842 9.979 ( -20.171 -1.746 -3.580) 20.561 10.219 ( 29.064 -0.928 -3.237) 29.259 11.601 ( 1.099 1.409 6.645) 6.881 11.641 ( -3.406 2.486 1.487) 4.472 11.856 ( -4.302 -0.313 -6.689) 7.960 12.006 ( -4.605 2.671 9.725) 11.087 12.242 ( 4.314 -3.925 -3.264) 6.684 12.533 ( 3.502 -1.712 16.708) 17.156 12.778 ( 1.147 -1.453 -7.729) 7.947 12.931 ( 0.612 1.707 -16.083) 16.185 14.822 ( -10.128 0.431 4.549) 11.111 15.019 ( -1.902 -0.600 -2.688) 3.347 15.912 ( 4.362 0.940 4.009) 5.998 16.049 ( -1.989 -0.196 -2.738) 3.390 21.759 ( -0.585 -1.469 -1.113) 1.934 22.112 ( 5.563 0.080 4.582) 7.208 22.378 ( 2.111 -0.315 -4.532) 5.009 22.640 ( 2.802 2.501 1.016) 3.891 22.688 ( 1.385 -2.513 1.809) 3.392 22.842 ( 3.570 1.365 0.529) 3.858 23.539 ( -5.363 2.868 0.587) 6.110 23.702 ( 0.061 -2.289 -3.279) 4.000 26.422 ( -5.200 -0.896 -3.553) 6.361 26.506 ( -3.670 0.555 3.702) 5.242 27.817 ( -3.336 -0.562 0.182) 3.388 28.026 ( -0.474 0.698 -0.239) 0.877 ======================= Grid point 129 (53/117) ======================= q-point: (-0.60 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -2.997 7.212 1.449) 7.943 2.003 ( -10.256 0.450 -2.001) 10.459 2.158 ( 8.997 -3.743 -1.771) 9.905 2.347 ( 8.865 2.343 1.529) 9.296 2.622 ( 7.645 -7.152 3.084) 10.913 2.843 ( 0.418 -2.251 -1.770) 2.894 3.007 ( -3.970 4.973 4.070) 7.553 3.211 ( -0.848 5.414 -3.507) 6.506 3.234 ( 7.447 3.141 0.743) 8.116 3.256 ( -4.039 3.839 2.537) 6.122 3.340 ( 2.192 -1.106 2.299) 3.363 3.434 ( -1.649 4.743 -3.248) 5.980 3.612 ( -0.127 4.345 -2.768) 5.153 3.664 ( -0.609 1.553 -4.888) 5.164 3.824 ( -0.872 -9.628 2.828) 10.072 3.935 ( 0.345 -3.878 -3.092) 4.972 3.987 ( -2.780 -7.627 -0.303) 8.124 4.091 ( -1.008 0.408 -4.933) 5.052 4.412 ( -2.394 0.149 3.063) 3.891 4.462 ( 1.740 5.255 2.754) 6.183 4.527 ( 1.684 2.029 2.565) 3.679 4.738 ( 5.720 4.990 -3.092) 8.196 4.788 ( -2.264 8.565 3.703) 9.602 4.820 ( 5.912 0.424 1.471) 6.107 5.257 ( -2.909 -6.397 3.425) 7.818 5.288 ( -5.528 -3.947 5.438) 8.701 5.446 ( 0.987 -3.373 -1.361) 3.769 5.649 ( -9.047 5.369 0.095) 10.521 5.933 ( 0.288 1.136 -6.794) 6.894 6.011 ( -16.585 -1.074 -1.833) 16.721 6.192 ( -2.788 2.765 2.437) 4.621 6.371 ( 8.244 -0.024 -4.932) 9.607 7.351 ( -2.623 -0.148 1.239) 2.904 7.379 ( -4.588 -2.003 8.329) 9.718 7.451 ( -4.958 -6.058 -4.742) 9.152 7.711 ( -6.211 -3.006 -6.607) 9.553 8.456 ( -17.582 0.999 0.405) 17.615 8.560 ( -30.913 -0.610 0.434) 30.922 8.613 ( -8.266 1.077 -1.861) 8.541 8.889 ( -17.480 -1.569 -2.097) 17.675 8.996 ( -11.646 -1.121 6.525) 13.396 9.318 ( -19.773 -0.561 -3.569) 20.100 9.345 ( -6.106 1.369 0.612) 6.287 9.404 ( 0.975 -1.757 3.341) 3.898 9.559 ( 9.281 1.462 6.987) 11.709 9.831 ( 3.013 -1.829 -7.001) 7.838 10.617 ( 37.361 0.550 -3.655) 37.544 10.839 ( 36.032 0.765 0.153) 36.041 11.465 ( -8.470 -2.588 11.779) 14.738 11.639 ( 0.639 6.958 -4.721) 8.433 11.834 ( 1.840 -2.502 -6.686) 7.372 11.912 ( -2.943 2.300 7.458) 8.341 12.321 ( 0.662 -3.785 -1.387) 4.085 12.609 ( 2.792 0.284 15.979) 16.224 12.753 ( -5.188 -4.196 -9.810) 11.864 12.894 ( -2.874 3.167 -11.248) 12.034 14.614 ( -12.333 -1.087 2.789) 12.691 14.936 ( -8.010 -2.063 -1.022) 8.334 16.007 ( 6.754 1.635 4.675) 8.375 16.029 ( -0.744 -0.264 -3.628) 3.713 21.776 ( 0.616 -1.755 0.021) 1.860 22.197 ( 3.548 1.428 6.683) 7.700 22.388 ( -0.491 -0.964 -10.373) 10.429 22.659 ( 0.350 2.054 2.194) 3.026 22.705 ( -1.253 0.201 3.573) 3.792 22.853 ( 1.854 4.893 -1.092) 5.345 23.547 ( 7.590 -0.024 2.057) 7.864 23.814 ( 9.980 -2.175 -3.547) 10.813 26.262 ( -14.701 -3.059 -3.725) 15.471 26.320 ( -16.382 -0.795 3.613) 16.794 27.820 ( 2.623 -0.774 -1.191) 2.984 28.022 ( 0.652 -0.116 1.457) 1.600 ======================= Grid point 130 (54/117) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -8.356 8.380 -4.143) 12.539 1.882 ( -1.699 1.562 0.923) 2.486 2.258 ( 1.625 6.653 -2.181) 7.188 2.486 ( 5.483 2.188 1.491) 6.089 2.708 ( 0.142 4.430 3.875) 5.887 2.823 ( 0.809 -3.851 -2.433) 4.626 3.009 ( 0.635 -5.034 4.513) 6.791 3.062 ( -5.018 10.048 -7.702) 13.618 3.133 ( -5.999 4.404 2.547) 7.866 3.284 ( 0.886 4.064 0.157) 4.162 3.373 ( -0.210 2.592 -3.194) 4.119 3.455 ( 4.404 -2.992 4.721) 7.116 3.581 ( 1.244 3.545 -2.031) 4.271 3.665 ( 4.274 2.763 -1.599) 5.335 3.901 ( -3.511 -8.347 3.650) 9.763 3.908 ( -1.126 -2.725 3.815) 4.821 4.006 ( -3.969 2.113 -0.602) 4.536 4.098 ( 0.092 -3.122 -3.298) 4.542 4.339 ( -2.769 4.733 2.736) 6.128 4.419 ( -1.773 3.463 0.319) 3.904 4.483 ( -1.491 3.939 -2.353) 4.824 4.641 ( -1.379 6.424 -3.269) 7.339 4.760 ( 0.895 9.348 2.773) 9.791 4.892 ( 1.542 0.849 -1.071) 2.060 5.186 ( -5.734 -3.119 1.278) 6.651 5.294 ( -6.659 -0.307 0.790) 6.712 5.407 ( -8.972 0.371 6.401) 11.027 5.512 ( -1.677 -8.090 -1.646) 8.424 5.689 ( -16.584 -0.922 -1.043) 16.642 5.882 ( -6.573 0.785 -9.505) 11.583 6.076 ( -5.338 2.271 5.802) 8.205 6.505 ( 6.504 -0.385 -0.356) 6.525 7.219 ( -7.950 1.546 0.097) 8.100 7.384 ( -3.018 -6.370 -3.254) 7.764 7.459 ( -3.803 -4.784 0.503) 6.132 7.588 ( -10.767 -3.432 -1.981) 11.473 7.998 ( -27.875 0.122 2.976) 28.033 8.070 ( -23.525 -3.423 -3.983) 24.104 8.435 ( -10.357 0.424 -3.307) 10.881 8.499 ( -21.872 -0.210 3.390) 22.134 8.791 ( -11.270 -1.938 0.406) 11.442 8.973 ( -20.435 -2.685 -4.675) 21.134 9.373 ( 7.598 -0.273 3.510) 8.374 9.553 ( 7.839 -2.757 3.423) 8.987 9.764 ( 13.957 0.126 10.338) 17.369 9.948 ( 6.801 -3.301 -4.800) 8.955 11.063 ( 8.378 -0.157 -3.256) 8.990 11.185 ( -0.450 -2.740 -0.775) 2.883 11.563 ( 9.347 4.456 1.329) 10.440 11.636 ( 15.084 0.419 4.852) 15.850 11.869 ( 3.684 1.213 -1.508) 4.161 12.001 ( 15.190 -0.712 -5.779) 16.267 12.315 ( -5.647 -2.413 -4.362) 7.533 12.594 ( -3.780 4.903 11.102) 12.712 12.717 ( -0.576 -5.532 -7.233) 9.124 12.790 ( -5.009 -0.072 1.368) 5.193 14.450 ( -7.183 -1.430 -0.902) 7.380 14.802 ( -9.718 -3.880 0.863) 10.499 16.008 ( -2.291 -0.671 -3.444) 4.190 16.099 ( 4.981 2.000 4.212) 6.823 21.805 ( 1.143 -0.809 1.018) 1.732 22.190 ( -2.595 1.644 3.829) 4.909 22.393 ( 0.630 0.178 -9.432) 9.455 22.558 ( -9.001 2.355 2.339) 9.594 22.674 ( -1.267 2.003 5.034) 5.564 22.848 ( 4.166 7.808 -3.135) 9.389 23.769 ( 14.078 -3.550 3.900) 15.034 24.065 ( 15.506 -2.235 -3.714) 16.100 25.958 ( -22.573 -3.568 -0.521) 22.859 26.017 ( -19.248 -4.708 -0.244) 19.817 27.904 ( 5.822 -0.538 -1.901) 6.148 28.056 ( 1.975 -1.742 2.447) 3.595 ======================= Grid point 131 (55/117) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -6.710 11.104 -2.316) 13.179 1.896 ( 4.412 3.558 1.323) 5.820 2.060 ( -9.190 14.575 7.378) 18.744 2.487 ( 1.448 12.802 0.698) 12.903 2.753 ( 4.480 5.023 2.501) 7.180 2.765 ( -10.570 -5.502 -6.499) 13.574 2.863 ( -5.392 10.828 -9.730) 15.524 2.976 ( -7.494 2.500 5.035) 9.368 3.052 ( -0.960 0.605 3.082) 3.285 3.208 ( -3.165 -0.288 -5.482) 6.337 3.328 ( -4.460 4.916 1.063) 6.722 3.528 ( 3.005 3.125 4.966) 6.592 3.592 ( 2.842 2.737 -3.261) 5.119 3.753 ( -0.583 13.343 2.357) 13.562 3.794 ( 2.310 1.881 5.863) 6.576 3.875 ( -1.646 -1.723 3.426) 4.174 3.962 ( -1.468 -6.682 3.076) 7.501 4.119 ( -0.675 -0.880 -0.578) 1.251 4.235 ( -2.501 5.770 3.082) 7.003 4.406 ( -4.213 -4.162 -3.260) 6.760 4.430 ( 0.781 2.753 -5.764) 6.435 4.579 ( -0.272 2.470 -3.918) 4.640 4.678 ( -0.336 8.347 -1.072) 8.422 4.842 ( -5.060 3.833 -3.462) 7.231 5.051 ( -10.414 3.605 -4.647) 11.960 5.098 ( -7.227 -1.305 -4.444) 8.584 5.298 ( -15.989 -4.457 3.190) 16.902 5.383 ( -5.594 -2.723 6.098) 8.711 5.679 ( 1.921 -6.275 -1.254) 6.681 5.726 ( -6.308 -1.681 -7.097) 9.643 6.047 ( 2.913 -0.601 6.109) 6.795 6.589 ( 0.326 -1.826 7.602) 7.825 7.007 ( -14.616 0.987 -5.706) 15.721 7.282 ( -11.438 0.563 -3.244) 11.902 7.337 ( -13.592 1.461 2.556) 13.907 7.418 ( -4.768 -6.162 -3.047) 8.366 7.720 ( -13.610 -4.062 1.580) 14.291 7.833 ( -7.940 -8.942 8.549) 14.700 8.213 ( -8.630 -4.061 3.842) 10.282 8.277 ( -7.753 0.610 -9.819) 12.525 8.558 ( -17.454 -1.658 -2.964) 17.782 8.716 ( -11.470 -4.505 -1.005) 12.364 9.571 ( 13.307 -1.738 1.303) 13.484 9.712 ( 7.649 -3.249 4.525) 9.463 9.994 ( 8.479 -2.017 1.765) 8.893 10.144 ( 11.897 -4.357 6.225) 14.117 11.034 ( -6.147 -3.600 0.473) 7.139 11.133 ( -9.259 -6.270 -5.022) 12.258 11.602 ( 4.013 3.778 -4.848) 7.340 11.747 ( -3.168 4.391 -0.539) 5.441 11.989 ( -2.016 2.029 -5.335) 6.053 12.130 ( -5.393 -1.686 -4.216) 7.050 12.399 ( 11.082 -0.683 6.064) 12.651 12.538 ( 14.472 3.426 4.066) 15.418 12.725 ( -3.290 -0.301 2.572) 4.187 12.903 ( 15.979 -4.623 0.220) 16.636 14.379 ( -2.077 -0.118 -5.226) 5.625 14.668 ( -10.390 -4.578 3.536) 11.892 15.959 ( -3.926 -1.516 -2.220) 4.758 16.142 ( 1.928 2.344 2.462) 3.908 21.820 ( 0.215 0.895 1.602) 1.848 22.100 ( -6.264 1.133 0.475) 6.384 22.344 ( -8.803 1.346 -2.872) 9.357 22.383 ( -5.085 -0.401 -1.315) 5.268 22.609 ( -3.250 4.121 6.281) 8.185 22.842 ( 3.919 9.292 -4.374) 10.993 24.065 ( 13.279 -5.899 5.552) 15.555 24.372 ( 16.361 -2.324 -4.773) 17.201 25.589 ( -21.574 -3.172 1.210) 21.840 25.742 ( -17.067 -6.322 -3.139) 18.469 28.024 ( 6.795 -1.064 -1.519) 7.043 28.118 ( 2.254 -3.152 2.764) 4.760 ======================= Grid point 132 (56/117) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -6.999 15.479 8.176) 18.853 1.696 ( -8.733 22.393 17.029) 29.457 1.950 ( -3.651 1.359 -5.408) 6.665 2.310 ( 2.150 18.295 1.057) 18.451 2.564 ( -10.524 12.320 0.311) 16.206 2.612 ( -4.548 14.639 -14.914) 21.388 2.763 ( -1.925 1.005 3.436) 4.064 2.853 ( -3.534 8.312 8.030) 12.085 3.020 ( -5.052 1.622 0.197) 5.310 3.125 ( -3.092 4.565 -2.916) 6.237 3.191 ( -1.323 -0.686 -0.295) 1.520 3.446 ( -1.110 15.284 6.646) 16.704 3.546 ( -2.214 2.978 -2.079) 4.254 3.713 ( 5.011 2.871 2.516) 6.300 3.864 ( -0.489 0.339 4.346) 4.386 3.950 ( 6.299 2.339 -0.991) 6.792 3.978 ( -1.448 -4.195 -4.193) 6.106 4.081 ( -2.280 -3.685 -2.458) 4.983 4.194 ( 1.052 2.120 5.075) 5.599 4.333 ( -3.834 -0.435 3.147) 4.979 4.426 ( 1.109 1.873 -7.870) 8.166 4.583 ( -7.373 2.640 -0.869) 7.879 4.603 ( 0.199 -4.660 -3.269) 5.696 4.662 ( -4.672 4.281 -5.397) 8.324 4.902 ( -5.878 -0.087 -8.411) 10.262 5.006 ( -2.560 -0.763 -6.678) 7.192 5.105 ( -7.868 0.701 -1.706) 8.081 5.307 ( -5.261 -1.877 4.602) 7.237 5.670 ( 0.624 -2.922 -4.891) 5.732 5.814 ( 3.505 -3.797 -5.108) 7.266 6.179 ( 10.050 -2.023 3.270) 10.760 6.463 ( -14.158 -2.037 8.716) 16.750 6.905 ( 2.949 -4.161 0.275) 5.107 7.041 ( -16.437 -1.671 -0.046) 16.522 7.155 ( -4.489 2.140 7.325) 8.853 7.414 ( -3.670 -2.288 -2.425) 4.958 7.518 ( -6.658 -3.598 10.473) 12.921 7.814 ( -5.361 -4.597 7.178) 10.070 8.140 ( -10.931 -4.464 2.847) 12.146 8.251 ( 4.270 -4.096 -10.763) 12.283 8.341 ( -4.792 -5.285 -5.032) 8.730 8.589 ( -8.326 -4.671 -4.174) 10.420 9.825 ( 10.379 -3.433 5.087) 12.058 9.926 ( 13.693 -3.463 1.620) 14.217 10.094 ( -0.310 -5.740 -0.915) 5.821 10.366 ( 6.930 -0.866 3.081) 7.633 11.009 ( -0.053 -5.109 -3.059) 5.955 11.038 ( -7.072 -7.869 -0.083) 10.580 11.448 ( -22.374 1.667 -3.163) 22.658 11.647 ( 3.663 2.045 -5.827) 7.180 11.896 ( -0.893 2.589 3.586) 4.512 12.108 ( -1.079 1.661 -5.447) 5.796 12.379 ( -3.387 0.623 11.460) 11.966 12.675 ( -1.837 0.864 0.620) 2.122 12.985 ( 25.487 1.322 -1.565) 25.569 13.246 ( 14.400 -3.495 0.531) 14.828 14.372 ( 2.881 1.581 -7.229) 7.940 14.503 ( -13.355 -4.438 5.131) 14.979 15.920 ( -1.683 -2.209 -0.322) 2.796 16.129 ( -0.760 2.582 -0.628) 2.763 21.794 ( -1.551 1.836 1.446) 2.805 21.948 ( -8.500 1.052 0.160) 8.566 22.207 ( -7.712 -2.999 0.766) 8.310 22.283 ( -6.196 -1.250 -3.118) 7.048 22.499 ( -2.444 8.433 8.305) 12.086 22.815 ( 3.027 9.144 -5.440) 11.062 24.315 ( 7.565 -6.757 6.521) 12.058 24.651 ( 11.880 -2.717 -6.382) 13.757 25.291 ( -13.481 -0.941 2.552) 13.753 25.543 ( -10.691 -4.443 -6.436) 13.246 28.127 ( 0.235 -4.407 6.223) 7.629 28.209 ( 5.702 -2.742 -2.695) 6.877 ======================= Grid point 133 (57/117) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 6.841 17.805 17.699) 26.021 1.405 ( 1.101 23.384 23.731) 33.335 1.778 ( -4.833 7.514 -13.429) 16.129 2.220 ( -0.248 29.845 14.411) 33.144 2.316 ( 1.874 12.782 2.226) 13.109 2.418 ( 2.239 18.319 -21.125) 28.051 2.571 ( -4.766 21.782 6.652) 23.268 2.767 ( -0.991 -3.932 4.807) 6.289 2.969 ( 0.753 -1.592 0.028) 1.762 3.097 ( -1.194 0.462 -1.841) 2.242 3.191 ( 0.072 0.474 1.550) 1.622 3.341 ( 0.180 3.447 2.688) 4.375 3.482 ( -0.827 4.061 -2.562) 4.872 3.727 ( 0.469 3.570 3.105) 4.755 3.857 ( 1.151 2.235 1.571) 2.964 3.888 ( -2.244 4.432 -3.568) 6.116 4.012 ( -1.045 2.810 -12.514) 12.868 4.134 ( -0.825 -6.393 -3.895) 7.532 4.182 ( -5.081 -3.158 2.132) 6.351 4.355 ( 8.649 1.834 7.086) 11.331 4.381 ( -1.649 0.455 6.611) 6.828 4.497 ( 1.651 -0.764 -10.178) 10.339 4.633 ( 0.629 -5.313 -0.055) 5.350 4.667 ( 0.747 -1.923 -3.144) 3.760 4.867 ( 2.659 0.440 -10.339) 10.684 4.930 ( -4.864 0.489 -11.876) 12.843 5.039 ( 1.779 2.235 2.323) 3.682 5.273 ( -0.598 -2.189 2.609) 3.458 5.721 ( 1.536 -1.353 -8.753) 8.990 5.849 ( -0.835 0.621 -7.131) 7.207 6.298 ( -3.865 -2.223 3.416) 5.617 6.439 ( 14.739 -2.398 -3.039) 15.239 6.737 ( -19.596 -3.403 12.485) 23.483 7.063 ( 3.260 -9.801 6.802) 12.368 7.160 ( 7.629 1.117 12.390) 14.593 7.345 ( -0.193 3.172 2.370) 3.964 7.562 ( 0.183 -5.108 5.238) 7.318 7.757 ( -1.516 -1.316 0.558) 2.083 8.026 ( -1.404 -4.082 10.447) 11.304 8.352 ( 2.636 -5.266 -8.002) 9.936 8.460 ( 2.903 -9.387 -10.460) 14.351 8.510 ( -2.191 -2.677 -7.552) 8.307 9.956 ( -2.557 -5.497 9.007) 10.857 10.071 ( -2.300 -3.310 0.657) 4.084 10.220 ( 7.166 -2.996 -5.012) 9.244 10.369 ( -4.732 -1.295 -3.711) 6.152 10.930 ( -8.950 -3.854 -0.226) 9.747 11.146 ( 1.750 -6.308 -7.057) 9.626 11.232 ( 7.941 -1.354 12.683) 15.025 11.669 ( 0.587 2.245 -5.979) 6.414 11.871 ( 0.495 3.736 2.175) 4.351 12.079 ( 0.628 0.966 -5.905) 6.016 12.319 ( -3.159 0.694 11.562) 12.006 12.649 ( 0.076 2.313 0.697) 2.416 13.279 ( 6.226 1.480 0.415) 6.413 13.367 ( -5.048 -3.361 -3.375) 6.941 14.329 ( -7.851 -4.926 1.946) 9.470 14.468 ( 9.126 1.883 -3.684) 10.020 15.949 ( 2.340 -1.991 1.464) 3.403 16.066 ( -3.440 2.344 -3.744) 5.598 21.784 ( 3.352 -0.356 2.237) 4.046 21.849 ( 0.342 1.008 -0.529) 1.189 22.087 ( -6.491 -1.799 4.413) 8.053 22.251 ( 0.653 -0.449 -2.505) 2.628 22.389 ( -0.120 9.583 8.332) 12.699 22.784 ( 2.188 7.092 -5.696) 9.356 24.447 ( 0.031 -6.312 5.792) 8.567 24.801 ( 1.618 -3.129 -6.116) 7.058 25.173 ( 0.942 0.247 3.800) 3.923 25.454 ( -0.994 -0.850 -10.323) 10.405 28.107 ( -7.272 -4.466 9.183) 12.536 28.330 ( 3.360 -3.670 -1.953) 5.345 ======================= Grid point 134 (58/117) ======================= q-point: (-0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 19.116 11.211 12.850) 25.617 1.321 ( 12.039 24.071 17.076) 31.874 1.684 ( -3.212 13.185 -5.529) 14.654 1.976 ( 16.112 28.717 20.530) 38.804 2.200 ( -6.938 10.500 0.571) 12.598 2.332 ( 11.261 15.925 -19.701) 27.722 2.466 ( 12.513 13.033 2.497) 18.240 2.859 ( 6.461 -3.429 2.563) 7.751 3.029 ( 1.755 -1.556 5.673) 6.139 3.107 ( -0.310 -4.658 -2.840) 5.465 3.212 ( 4.886 -1.540 1.956) 5.484 3.331 ( -0.046 2.127 7.234) 7.540 3.467 ( 0.164 -1.364 -5.624) 5.790 3.721 ( 3.106 4.398 1.509) 5.592 3.807 ( -4.139 4.110 -3.456) 6.780 3.853 ( 0.846 2.774 1.100) 3.102 3.912 ( -3.547 3.249 -18.661) 19.271 4.063 ( -0.880 4.067 -3.504) 5.440 4.226 ( 0.719 -4.401 -1.796) 4.807 4.393 ( 2.618 -1.346 8.749) 9.231 4.510 ( -1.364 -1.926 -10.246) 10.514 4.568 ( 6.335 -4.901 0.762) 8.046 4.661 ( -2.184 -0.637 -0.916) 2.453 4.755 ( 6.915 -5.947 -0.156) 9.122 4.915 ( 5.766 -3.539 -7.383) 10.014 4.986 ( 7.148 -0.260 -6.708) 9.806 5.098 ( 8.994 2.055 0.582) 9.244 5.330 ( 5.008 -1.559 4.456) 6.883 5.710 ( -0.610 3.559 -10.897) 11.479 5.817 ( -1.111 -0.027 -3.721) 3.883 6.352 ( 6.623 -3.410 -0.134) 7.451 6.441 ( -16.591 -1.182 17.469) 24.121 6.730 ( 16.533 -0.643 -5.292) 17.371 7.137 ( -2.206 -7.523 6.848) 10.410 7.244 ( 1.454 4.146 5.778) 7.259 7.495 ( 7.741 -1.387 3.648) 8.669 7.577 ( 8.997 -3.428 -1.081) 9.689 7.815 ( 6.814 -1.771 5.761) 9.097 8.221 ( 9.867 -2.607 8.212) 13.099 8.326 ( -2.294 -4.530 -0.874) 5.153 8.546 ( 1.346 0.345 -5.239) 5.420 8.609 ( 8.547 -3.960 -8.403) 12.623 9.877 ( -9.139 -4.350 3.095) 10.584 9.956 ( -12.155 -0.218 3.063) 12.537 10.161 ( -11.505 -3.807 -2.254) 12.326 10.334 ( -4.021 -3.693 1.592) 5.687 11.051 ( 14.372 -5.020 -2.688) 15.459 11.206 ( 0.481 -5.448 -2.424) 5.982 11.503 ( 13.698 0.559 -1.628) 13.806 11.642 ( 1.666 1.566 -6.621) 7.005 11.828 ( -1.680 4.324 3.658) 5.908 12.123 ( 4.644 0.492 -6.085) 7.670 12.270 ( -2.196 -0.406 9.768) 10.020 12.595 ( -3.227 6.742 2.064) 7.754 13.142 ( -17.938 -0.446 5.941) 18.902 13.185 ( -16.222 -3.968 -7.574) 18.338 14.385 ( 7.634 -4.387 -4.059) 9.696 14.606 ( 7.231 -0.155 3.347) 7.969 15.976 ( -1.284 -0.135 -1.760) 2.183 16.045 ( 3.895 -0.250 1.245) 4.097 21.827 ( 2.407 2.050 -1.827) 3.651 21.965 ( 0.571 -3.655 7.815) 8.646 22.110 ( 7.891 0.945 -3.991) 8.894 22.278 ( 8.211 1.343 1.028) 8.383 22.390 ( 5.605 1.650 2.667) 6.422 22.760 ( 1.352 4.619 -4.608) 6.663 24.414 ( -9.726 -4.590 3.984) 11.469 24.739 ( -11.929 -2.167 -4.047) 12.782 25.353 ( 16.705 -3.062 3.357) 17.312 25.581 ( 16.141 -2.616 -10.037) 19.186 27.991 ( -6.442 -0.442 5.335) 8.376 28.359 ( -4.036 -3.360 1.604) 5.491 ======================= Grid point 138 (59/117) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -3.607 0.000 3.307) 4.894 2.009 ( -10.193 0.000 -0.979) 10.240 2.124 ( 14.243 -0.000 0.759) 14.263 2.382 ( 8.181 -0.000 1.945) 8.409 2.563 ( 8.321 -0.000 3.930) 9.202 2.796 ( 1.090 -0.000 -0.993) 1.474 3.106 ( -6.348 0.000 -0.482) 6.366 3.153 ( 1.597 -0.000 -2.394) 2.878 3.277 ( 4.131 -0.000 1.426) 4.370 3.287 ( 5.575 -0.000 -1.308) 5.727 3.479 ( -1.588 0.000 4.000) 4.304 3.532 ( -2.619 0.000 -2.711) 3.769 3.546 ( -3.038 0.000 -0.910) 3.171 3.630 ( -1.984 0.000 -7.982) 8.224 3.764 ( -0.893 0.000 2.560) 2.711 3.845 ( 4.071 -0.000 -9.036) 9.911 3.952 ( -4.317 0.000 4.204) 6.026 4.103 ( -0.736 0.000 -11.122) 11.146 4.406 ( -1.104 0.000 5.051) 5.170 4.505 ( 0.284 -0.000 3.464) 3.476 4.560 ( 5.666 -0.000 4.574) 7.282 4.760 ( 6.081 -0.000 5.453) 8.168 4.819 ( 10.319 -0.000 -1.495) 10.427 4.932 ( -4.867 0.000 -2.724) 5.577 5.150 ( -1.433 0.000 5.098) 5.295 5.258 ( -9.347 0.000 7.981) 12.291 5.415 ( 0.403 -0.000 -0.838) 0.930 5.701 ( -8.855 0.000 0.413) 8.865 5.947 ( 1.969 -0.000 -8.239) 8.471 6.002 ( -17.570 0.000 -1.118) 17.606 6.219 ( -2.857 0.000 1.636) 3.293 6.370 ( 8.244 -0.000 -4.626) 9.453 7.342 ( 0.476 -0.000 9.159) 9.171 7.371 ( -6.045 0.000 -7.306) 9.483 7.386 ( -7.681 0.000 3.153) 8.303 7.679 ( -7.281 0.000 -7.017) 10.112 8.469 ( -16.427 0.000 0.473) 16.434 8.550 ( -31.916 0.000 -0.164) 31.916 8.627 ( -7.985 0.000 -2.208) 8.285 8.874 ( -15.682 0.000 -2.386) 15.862 8.985 ( -12.577 0.000 7.067) 14.426 9.313 ( -19.951 0.000 -12.298) 23.437 9.348 ( -12.897 0.000 7.674) 15.008 9.395 ( 4.512 -0.000 4.080) 6.083 9.576 ( 8.618 -0.000 9.276) 12.662 9.811 ( 3.247 -0.000 -7.283) 7.974 10.622 ( 37.394 -0.000 -3.734) 37.580 10.847 ( 36.807 -0.000 -0.060) 36.807 11.443 ( -8.991 0.000 11.350) 14.479 11.751 ( -5.256 0.000 -6.662) 8.485 11.769 ( 5.274 -0.000 -6.091) 8.057 11.938 ( -2.622 0.000 8.796) 9.179 12.278 ( 1.604 -0.000 -3.192) 3.572 12.613 ( 4.769 -0.000 19.016) 19.605 12.708 ( -5.755 0.000 -10.172) 11.688 12.926 ( -3.893 0.000 -12.005) 12.620 14.605 ( -12.613 0.000 2.711) 12.901 14.916 ( -8.577 0.000 -1.111) 8.648 16.023 ( 6.679 -0.000 4.883) 8.274 16.027 ( -0.761 0.000 -3.772) 3.848 21.758 ( 1.064 -0.000 0.225) 1.087 22.209 ( 4.002 -0.000 6.947) 8.018 22.379 ( -0.586 0.000 -10.074) 10.091 22.690 ( -0.880 0.000 0.434) 0.981 22.694 ( 1.023 -0.000 5.099) 5.200 22.903 ( 3.316 -0.000 -1.846) 3.796 23.549 ( 5.215 -0.000 3.494) 6.277 23.791 ( 10.501 -0.000 -4.769) 11.533 26.233 ( -15.258 0.000 -4.205) 15.827 26.312 ( -17.402 0.000 3.992) 17.854 27.813 ( 2.932 -0.000 -1.455) 3.273 28.021 ( -0.103 0.000 1.837) 1.840 ======================= Grid point 139 (60/117) ======================= q-point: (-0.60 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -6.397 4.740 -1.733) 8.148 1.885 ( -3.501 -1.638 1.452) 4.129 2.335 ( 8.437 1.894 -3.126) 9.195 2.535 ( 7.972 2.502 -0.316) 8.362 2.689 ( 4.074 -1.307 2.551) 4.981 2.792 ( -3.842 -2.724 -0.531) 4.740 2.979 ( -1.439 1.540 6.557) 6.887 3.180 ( -0.698 1.343 -1.107) 1.875 3.258 ( -5.468 6.547 1.032) 8.592 3.342 ( 1.663 1.339 -1.176) 2.437 3.424 ( 2.868 4.970 0.680) 5.778 3.449 ( -1.481 4.224 -0.266) 4.484 3.580 ( -2.172 -6.288 -2.289) 7.036 3.640 ( 1.952 -7.012 -5.678) 9.232 3.781 ( 1.603 0.208 4.667) 4.939 3.894 ( -2.456 -0.246 3.810) 4.540 3.945 ( 3.981 -3.456 -10.308) 11.578 4.096 ( 1.270 1.096 -11.489) 11.610 4.378 ( -1.990 0.204 6.938) 7.221 4.491 ( -1.169 1.945 3.416) 4.101 4.573 ( -2.882 4.170 1.918) 5.420 4.795 ( -3.830 8.452 -2.177) 9.532 4.863 ( 4.127 -0.219 5.972) 7.262 4.935 ( 2.627 4.901 -0.053) 5.561 5.116 ( -6.625 -3.638 3.157) 8.191 5.165 ( -2.578 -7.909 5.519) 9.983 5.420 ( -1.264 -1.974 -0.164) 2.350 5.478 ( -13.824 3.024 3.381) 14.549 5.675 ( -17.393 -0.481 -1.306) 17.448 5.905 ( -7.202 0.983 -11.294) 13.431 6.109 ( -6.691 1.072 3.420) 7.590 6.501 ( 6.199 -0.105 -0.596) 6.228 7.244 ( -7.426 1.195 -1.217) 7.619 7.292 ( -4.309 -3.208 -5.940) 8.009 7.381 ( 0.341 -2.712 5.378) 6.032 7.529 ( -9.902 -2.202 -2.274) 10.396 8.005 ( -29.256 0.559 0.421) 29.265 8.023 ( -28.384 -1.626 -1.353) 28.463 8.454 ( -9.764 0.999 -5.696) 11.348 8.498 ( -22.725 0.044 4.691) 23.205 8.761 ( -10.081 -0.990 0.632) 10.150 8.929 ( -22.723 -1.622 -7.376) 23.945 9.375 ( 7.820 0.290 3.785) 8.692 9.511 ( 6.644 -1.491 3.831) 7.813 9.774 ( 13.892 0.636 13.865) 19.638 9.901 ( 4.945 -1.556 -5.415) 7.496 11.065 ( 7.576 0.223 -6.429) 9.939 11.144 ( -6.038 -1.385 2.464) 6.667 11.608 ( 26.914 0.495 6.698) 27.740 11.707 ( 3.228 6.586 -3.119) 7.971 11.825 ( 4.168 -5.433 -3.253) 7.581 12.015 ( 12.824 1.383 -2.035) 13.058 12.271 ( -5.212 -1.740 -6.850) 8.781 12.631 ( -1.336 -2.785 -6.621) 7.306 12.674 ( 0.782 2.929 14.381) 14.697 12.782 ( -9.099 -0.760 0.202) 9.133 14.437 ( -5.929 -0.230 -2.105) 6.295 14.752 ( -10.025 -1.456 1.212) 10.203 16.000 ( -2.643 -0.238 -3.485) 4.380 16.127 ( 4.979 0.850 4.280) 6.620 21.790 ( 1.929 -0.608 1.142) 2.322 22.212 ( -3.296 0.687 4.293) 5.455 22.387 ( 0.933 -0.432 -8.737) 8.797 22.593 ( -9.427 1.168 1.070) 9.559 22.704 ( 0.416 1.001 4.747) 4.869 22.966 ( 5.534 3.956 -3.472) 7.638 23.714 ( 11.571 -1.919 5.962) 13.157 24.033 ( 15.756 -0.974 -5.269) 16.642 25.907 ( -21.388 -1.596 -3.768) 21.776 25.960 ( -21.413 -1.515 2.875) 21.658 27.898 ( 6.209 -0.091 -2.274) 6.613 28.033 ( 0.986 -0.704 3.071) 3.301 ======================= Grid point 140 (61/117) ======================= q-point: (-0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -1.981 10.242 -1.845) 10.594 1.906 ( 3.750 -1.387 0.118) 4.000 2.298 ( -6.539 8.086 0.356) 10.405 2.594 ( 2.218 1.909 1.989) 3.538 2.716 ( -2.201 -0.733 0.605) 2.398 2.789 ( 0.472 -0.528 -1.977) 2.100 2.977 ( -4.344 3.605 4.639) 7.307 3.055 ( -4.735 2.833 5.342) 7.680 3.135 ( 1.079 8.227 -4.339) 9.363 3.254 ( -6.388 5.113 -4.022) 9.118 3.399 ( -2.745 3.147 0.394) 4.194 3.475 ( 0.812 -4.963 3.580) 6.173 3.620 ( 3.822 -1.277 -1.264) 4.223 3.765 ( 5.299 -2.264 -1.012) 5.850 3.800 ( -0.668 -3.840 0.829) 3.985 3.880 ( 0.685 -0.461 2.568) 2.698 3.974 ( -2.005 0.958 -5.257) 5.707 4.139 ( 5.038 3.342 -7.809) 9.876 4.336 ( -2.490 3.338 6.483) 7.705 4.392 ( -5.955 4.212 3.083) 7.919 4.468 ( -2.110 1.233 0.623) 2.522 4.678 ( -1.089 8.081 -2.065) 8.412 4.824 ( -4.210 6.069 1.653) 7.569 4.901 ( -2.126 2.201 -3.975) 5.017 5.056 ( -4.926 -1.014 -2.211) 5.494 5.149 ( -8.385 -2.786 3.643) 9.557 5.214 ( -11.877 1.694 2.744) 12.307 5.340 ( -5.620 -0.315 1.188) 5.753 5.562 ( 1.048 -6.264 -1.520) 6.530 5.698 ( -12.124 -1.497 -8.543) 14.907 6.050 ( 1.250 0.669 4.257) 4.487 6.568 ( -0.381 -0.586 5.877) 5.919 7.022 ( -16.367 0.696 -6.215) 17.521 7.249 ( -5.883 -3.724 -7.202) 10.017 7.346 ( -7.901 -1.230 0.034) 7.996 7.366 ( -8.789 1.620 3.238) 9.506 7.647 ( -17.786 -5.422 2.619) 18.778 7.676 ( -6.445 -5.474 7.316) 11.181 8.151 ( -14.559 -2.052 5.478) 15.690 8.294 ( -7.910 0.665 -11.178) 13.710 8.526 ( -20.055 -1.494 -2.484) 20.264 8.641 ( -9.875 -3.324 -3.347) 10.944 9.553 ( 12.279 -0.209 0.573) 12.294 9.652 ( 7.082 -3.101 4.872) 9.138 9.961 ( 3.386 -1.462 -0.550) 3.729 10.086 ( 16.045 -1.915 11.844) 20.035 10.983 ( -8.002 -1.759 0.193) 8.195 11.030 ( -11.126 -4.523 -4.526) 12.835 11.677 ( 1.247 4.085 -4.850) 6.463 11.840 ( -0.102 5.450 -1.772) 5.731 11.994 ( -4.356 -1.498 -6.811) 8.223 12.062 ( -5.501 -4.616 -5.359) 8.960 12.405 ( 20.073 0.741 4.132) 20.508 12.572 ( -0.139 -0.163 4.745) 4.750 12.716 ( 2.835 0.461 5.698) 6.381 12.849 ( 17.666 -1.682 2.397) 17.907 14.388 ( 0.021 0.704 -7.575) 7.608 14.600 ( -9.726 -2.588 4.912) 11.200 15.937 ( -4.430 -0.827 -2.127) 4.983 16.179 ( 2.055 1.585 2.263) 3.443 21.824 ( 0.987 -0.262 1.756) 2.031 22.119 ( -6.245 0.932 0.066) 6.314 22.359 ( -5.507 -1.359 -3.879) 6.872 22.367 ( -13.403 0.952 0.201) 13.438 22.696 ( 1.234 4.281 4.949) 6.659 23.005 ( 4.725 7.600 -4.091) 9.839 23.961 ( 11.591 -4.972 7.543) 14.696 24.332 ( 16.026 -1.820 -6.084) 17.238 25.548 ( -19.342 -1.299 -0.923) 19.407 25.643 ( -16.765 -4.152 -0.856) 17.292 28.014 ( 6.111 -0.043 -1.253) 6.239 28.070 ( 1.927 -2.101 2.452) 3.760 ======================= Grid point 141 (62/117) ======================= q-point: (-0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -3.068 15.320 5.048) 16.419 1.975 ( 0.926 1.569 -3.726) 4.148 2.070 ( -6.026 16.159 11.521) 20.740 2.532 ( -6.934 -1.552 0.870) 7.159 2.611 ( -0.318 7.563 1.101) 7.649 2.783 ( -4.041 3.536 -3.120) 6.210 2.840 ( -4.798 1.901 -3.270) 6.110 2.980 ( 2.335 8.132 2.052) 8.706 3.098 ( 1.176 7.237 -0.499) 7.349 3.149 ( -2.812 -0.450 -3.208) 4.290 3.250 ( -7.455 5.000 -1.264) 9.065 3.529 ( -0.982 -5.517 0.896) 5.675 3.715 ( 6.410 3.723 1.192) 7.508 3.761 ( -4.555 -1.619 -0.773) 4.896 3.864 ( -0.204 4.109 9.144) 10.027 3.900 ( 4.058 3.659 2.249) 5.909 3.962 ( 2.917 -3.792 -1.343) 4.969 4.120 ( -1.959 7.001 -0.662) 7.300 4.231 ( -2.587 3.556 3.949) 5.910 4.332 ( -0.048 0.487 5.026) 5.050 4.458 ( 0.171 0.800 -2.992) 3.102 4.591 ( -1.912 3.981 -1.162) 4.567 4.660 ( -8.608 3.915 -2.804) 9.864 4.818 ( -1.271 10.609 -9.957) 14.605 4.900 ( -6.346 1.350 -11.080) 12.840 5.018 ( -3.200 2.254 -7.473) 8.436 5.101 ( -3.090 -1.227 2.321) 4.055 5.281 ( -4.025 -0.439 3.732) 5.506 5.585 ( -1.983 -6.227 -2.526) 7.006 5.703 ( 3.890 -7.903 -4.176) 9.749 6.149 ( 9.566 -1.009 2.973) 10.068 6.432 ( -13.966 -1.114 8.088) 16.177 6.858 ( -0.648 -1.182 -1.951) 2.372 7.011 ( -19.622 -1.382 -0.495) 19.677 7.184 ( -5.036 0.395 3.109) 5.932 7.363 ( 1.756 -2.110 2.126) 3.472 7.466 ( -7.496 -2.197 7.668) 10.946 7.696 ( -2.780 -7.551 8.356) 11.601 8.032 ( -7.011 -6.648 3.085) 10.143 8.189 ( -3.185 -2.432 -11.666) 12.335 8.249 ( -10.792 -4.461 -3.293) 12.133 8.524 ( -6.289 -2.304 -7.531) 10.079 9.770 ( 8.381 -2.453 6.495) 10.883 9.860 ( 14.221 -3.579 -0.874) 14.690 9.996 ( -1.847 -4.440 1.356) 4.996 10.354 ( 8.846 -0.518 3.704) 9.604 10.893 ( -6.730 -6.639 -1.337) 9.548 10.922 ( -1.877 -4.794 -1.039) 5.252 11.475 ( -25.959 1.219 -1.332) 26.021 11.688 ( 3.143 2.289 -7.079) 8.077 11.952 ( 1.860 3.396 1.899) 4.313 12.099 ( -0.872 -2.368 -5.441) 5.998 12.414 ( -3.000 2.746 9.673) 10.493 12.644 ( -2.616 -3.570 2.239) 4.960 13.018 ( 25.400 1.865 -2.566) 25.597 13.203 ( 15.673 -1.285 2.575) 15.935 14.408 ( 4.344 1.979 -9.745) 10.851 14.432 ( -13.010 -2.979 7.608) 15.363 15.886 ( -1.713 -1.458 0.375) 2.280 16.173 ( -0.890 2.076 -1.224) 2.569 21.815 ( -1.946 0.533 1.940) 2.799 21.969 ( -8.847 1.086 -1.269) 9.003 22.163 ( -9.058 -1.503 2.014) 9.400 22.257 ( -5.576 -1.389 -3.311) 6.632 22.665 ( 1.406 8.500 6.179) 10.602 22.990 ( 2.648 9.286 -4.781) 10.775 24.188 ( 6.941 -6.829 8.165) 12.707 24.597 ( 10.910 -2.928 -7.096) 13.340 25.284 ( -10.670 0.196 1.449) 10.769 25.455 ( -8.981 -4.681 -4.436) 11.056 28.072 ( -0.161 -1.743 5.316) 5.597 28.163 ( 5.400 -2.245 -3.185) 6.659 ======================= Grid point 142 (63/117) ======================= q-point: (-0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 4.871 16.854 12.765) 21.696 1.826 ( 0.110 21.882 18.035) 28.356 1.900 ( -2.264 5.542 -8.277) 10.215 2.518 ( -0.026 9.991 0.728) 10.017 2.565 ( 6.474 6.261 -0.472) 9.018 2.637 ( -4.175 3.792 -1.269) 5.781 2.737 ( -2.969 3.273 -7.963) 9.107 2.966 ( -5.408 9.693 2.972) 11.491 2.997 ( 5.244 10.311 2.123) 11.761 3.117 ( 0.329 2.478 -2.672) 3.659 3.174 ( 0.322 -0.947 -1.885) 2.134 3.475 ( -4.583 6.956 -5.632) 10.055 3.637 ( -0.496 12.401 7.693) 14.602 3.776 ( 1.376 -0.179 3.689) 3.942 3.870 ( -0.765 -6.962 5.102) 8.665 3.892 ( -1.331 2.998 6.205) 7.018 4.017 ( -0.314 -1.410 -3.035) 3.362 4.040 ( -1.384 3.561 -2.733) 4.698 4.191 ( 0.782 1.372 2.239) 2.740 4.388 ( -3.563 -0.111 4.855) 6.023 4.392 ( 5.562 1.784 7.760) 9.713 4.530 ( 0.082 1.863 -8.958) 9.150 4.593 ( 2.193 1.372 -0.854) 2.724 4.691 ( 0.082 7.551 -15.160) 16.937 4.873 ( 2.315 0.176 -9.441) 9.722 4.943 ( -4.642 0.842 -12.288) 13.162 5.090 ( 2.669 2.849 1.338) 4.127 5.240 ( -0.250 -0.850 1.657) 1.879 5.651 ( 1.123 -6.064 -4.101) 7.406 5.806 ( -0.278 -5.610 -6.518) 8.604 6.259 ( -5.128 -1.637 3.936) 6.668 6.397 ( 15.940 -2.027 -2.983) 16.343 6.683 ( -17.955 -2.203 11.910) 21.658 6.937 ( 3.181 -4.401 4.543) 7.080 7.176 ( 6.251 0.457 10.428) 12.167 7.367 ( -2.316 -0.208 -2.452) 3.379 7.472 ( 2.414 -4.333 8.384) 9.741 7.703 ( -1.364 -4.700 4.208) 6.454 7.958 ( -2.036 -3.110 7.994) 8.816 8.211 ( -2.820 -10.744 -6.056) 12.652 8.285 ( 5.316 -7.246 -10.594) 13.893 8.474 ( 0.058 -1.227 -10.218) 10.292 9.857 ( -3.955 -4.964 8.478) 10.591 10.010 ( 0.985 -2.917 3.691) 4.807 10.145 ( 8.544 -5.139 -4.647) 11.000 10.346 ( -7.419 -1.034 -4.482) 8.729 10.848 ( -7.081 -4.580 -1.110) 8.505 11.011 ( -0.845 -7.878 -5.441) 9.611 11.217 ( 7.779 -0.332 13.569) 15.644 11.711 ( 1.003 2.194 -7.472) 7.852 11.945 ( 1.091 4.219 0.149) 4.360 12.090 ( 0.048 -0.218 -5.330) 5.335 12.350 ( -1.960 2.550 11.253) 11.704 12.644 ( -0.038 -2.667 -0.011) 2.667 13.316 ( 1.474 0.385 -0.993) 1.818 13.319 ( 0.204 0.247 -1.079) 1.126 14.239 ( -9.329 -4.450 4.788) 11.391 14.510 ( 9.044 2.419 -5.798) 11.012 15.916 ( 3.304 -1.442 3.027) 4.708 16.107 ( -4.114 2.071 -4.684) 6.569 21.786 ( 1.145 0.414 1.944) 2.294 21.867 ( 0.034 0.642 -1.301) 1.451 22.067 ( -3.091 -0.408 3.393) 4.608 22.227 ( 0.645 -1.706 -2.964) 3.480 22.592 ( 0.489 11.324 7.266) 13.463 22.933 ( 0.705 8.786 -5.122) 10.194 24.319 ( -0.132 -7.410 7.452) 10.510 24.736 ( 1.036 -3.796 -7.006) 8.036 25.182 ( 0.140 0.869 2.925) 3.055 25.408 ( -0.431 -3.664 -7.361) 8.234 28.056 ( -3.703 -1.605 6.190) 7.389 28.263 ( 2.416 -3.484 -2.501) 4.923 ======================= Grid point 143 (64/117) ======================= q-point: (-0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 11.497 12.272 7.714) 18.501 1.724 ( 8.018 21.006 18.466) 29.095 1.855 ( 4.749 6.642 -5.230) 9.696 2.428 ( -0.027 13.349 -0.486) 13.358 2.479 ( 3.779 19.024 1.142) 19.429 2.642 ( 7.828 12.206 -16.239) 21.771 2.699 ( -1.813 4.734 3.173) 5.980 2.828 ( 8.116 7.026 8.511) 13.699 3.004 ( 1.809 1.394 1.557) 2.764 3.076 ( -1.176 3.845 -4.617) 6.123 3.214 ( 3.589 0.575 0.263) 3.644 3.387 ( 1.615 4.256 -0.204) 4.556 3.510 ( -3.499 7.268 4.597) 9.285 3.787 ( -0.188 -0.084 3.999) 4.004 3.849 ( -0.990 1.343 4.882) 5.159 3.896 ( 0.788 3.096 -4.243) 5.311 3.965 ( -4.461 2.255 -3.613) 6.167 4.064 ( 1.202 -8.225 0.210) 8.315 4.196 ( 3.269 4.461 -0.879) 5.600 4.373 ( 1.544 -0.444 5.630) 5.855 4.503 ( -0.112 1.601 -7.897) 8.058 4.512 ( 4.181 -0.512 1.247) 4.393 4.663 ( 1.288 -0.420 -5.262) 5.433 4.694 ( 7.614 1.287 -3.380) 8.429 4.872 ( 1.077 -0.726 -8.701) 8.798 4.972 ( 6.778 -0.871 -5.766) 8.941 5.142 ( 7.127 2.071 0.336) 7.430 5.303 ( 6.195 -1.036 1.925) 6.570 5.695 ( -1.421 -4.396 -7.254) 8.600 5.804 ( -2.489 -2.575 -4.464) 5.723 6.287 ( 4.884 -3.080 0.567) 5.801 6.423 ( -13.446 -0.489 16.967) 21.655 6.716 ( 18.207 -0.864 -5.840) 19.140 7.032 ( 4.174 -4.037 6.008) 8.356 7.302 ( 0.986 1.704 2.702) 3.343 7.436 ( 10.648 -4.262 4.306) 12.250 7.522 ( 2.166 -2.517 0.565) 3.368 7.781 ( 7.449 -2.818 5.614) 9.744 8.137 ( 16.036 -5.466 10.072) 19.710 8.224 ( -4.575 -6.879 -8.094) 11.565 8.472 ( 7.946 -6.632 -5.357) 11.654 8.550 ( 5.817 -2.545 -9.210) 11.186 9.782 ( -8.535 -5.468 4.336) 11.024 9.959 ( -10.114 -0.163 2.742) 10.481 10.113 ( -15.424 -1.212 -2.021) 15.603 10.239 ( -3.283 -5.853 4.084) 7.856 10.956 ( 13.947 -5.534 -1.946) 15.130 11.082 ( 1.332 -7.595 -2.305) 8.048 11.512 ( 16.375 0.386 -0.942) 16.406 11.672 ( -0.496 1.830 -5.890) 6.188 11.906 ( -1.518 4.073 0.997) 4.460 12.138 ( 5.570 0.290 -6.187) 8.330 12.294 ( -2.236 3.009 12.672) 13.215 12.675 ( 1.047 1.609 1.602) 2.500 13.106 ( -18.413 -3.968 -5.536) 19.632 13.148 ( -20.534 1.102 4.801) 21.116 14.290 ( 7.981 -5.583 -3.494) 10.347 14.621 ( 4.913 1.657 1.196) 5.321 15.981 ( -0.260 0.555 -0.601) 0.858 16.041 ( 2.083 -0.044 -0.232) 2.097 21.856 ( 4.974 0.504 1.583) 5.244 21.929 ( 3.151 0.240 0.767) 3.252 22.103 ( 8.719 -0.805 -1.163) 8.833 22.299 ( 6.068 -0.720 -1.022) 6.195 22.503 ( 1.568 10.218 6.364) 12.140 22.861 ( -0.417 6.495 -4.325) 7.815 24.310 ( -8.642 -6.579 5.610) 12.225 24.684 ( -10.890 -3.687 -5.547) 12.765 25.303 ( 13.444 -2.060 3.241) 13.982 25.524 ( 11.174 -3.628 -7.369) 13.868 27.986 ( -4.399 -0.080 3.878) 5.865 28.291 ( -3.225 -3.836 0.013) 5.012 ======================= Grid point 144 (65/117) ======================= q-point: (-0.10 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 6.969 2.964 -4.350) 8.734 1.676 ( 5.578 15.504 9.995) 19.272 1.882 ( 10.920 22.597 7.662) 26.241 2.196 ( -5.385 15.094 -2.583) 16.233 2.466 ( 10.047 9.512 1.650) 13.934 2.711 ( 4.746 6.136 -1.863) 7.978 2.730 ( 16.716 12.635 -4.178) 21.366 2.987 ( 1.217 -5.087 1.466) 5.432 3.051 ( 1.135 -4.456 2.281) 5.133 3.108 ( 15.190 3.049 -0.765) 15.511 3.281 ( 3.916 0.158 0.567) 3.960 3.371 ( -0.011 5.876 7.289) 9.363 3.442 ( 1.459 -0.533 -3.729) 4.040 3.702 ( -8.036 5.783 0.828) 9.935 3.843 ( -0.302 -2.509 2.042) 3.249 3.859 ( -1.294 2.936 -5.252) 6.155 3.916 ( 4.218 4.829 3.268) 7.196 4.146 ( 3.274 0.047 -6.060) 6.888 4.261 ( 5.755 -1.309 1.004) 5.987 4.392 ( -0.521 -2.025 1.929) 2.845 4.471 ( -1.528 1.033 -9.087) 9.273 4.556 ( -1.185 -1.143 -0.085) 1.649 4.651 ( 0.075 3.260 -3.612) 4.867 4.822 ( 4.421 -2.585 0.601) 5.156 5.007 ( 9.351 -5.359 -4.954) 11.862 5.100 ( 6.834 -0.183 -2.511) 7.283 5.322 ( 11.069 -0.616 2.720) 11.415 5.466 ( 11.322 -0.529 2.731) 11.659 5.719 ( 2.429 -3.113 -9.768) 10.535 5.795 ( 0.187 -1.034 -3.629) 3.778 6.203 ( -10.878 1.939 17.911) 21.045 6.440 ( 5.317 -4.419 -1.465) 7.067 7.056 ( 20.561 0.023 -5.311) 21.236 7.217 ( 14.638 -0.396 -0.464) 14.650 7.298 ( 1.753 1.718 4.633) 5.243 7.533 ( 3.617 -1.531 -3.667) 5.373 7.704 ( 8.884 -5.393 4.683) 11.399 8.024 ( 9.267 -2.075 2.235) 9.756 8.273 ( 12.524 -2.915 -4.208) 13.529 8.511 ( 16.973 -5.319 5.927) 18.748 8.602 ( 6.179 1.269 0.184) 6.311 8.732 ( 9.972 -4.074 -2.732) 11.114 9.680 ( -8.515 -4.539 2.050) 9.865 9.723 ( -13.838 0.602 3.976) 14.410 9.872 ( -14.289 -5.224 0.471) 15.221 10.221 ( -4.612 -3.625 2.030) 6.207 11.133 ( -0.532 -4.552 -0.672) 4.632 11.274 ( 9.769 -4.159 -4.801) 11.652 11.551 ( -2.466 0.458 -1.131) 2.751 11.804 ( -5.713 3.682 4.264) 8.023 11.824 ( 9.715 2.016 -11.786) 15.406 12.200 ( -3.858 4.154 7.254) 9.206 12.273 ( 6.923 -1.768 -5.700) 9.141 12.513 ( -15.256 5.513 1.492) 16.291 12.768 ( -18.962 -2.842 8.364) 20.919 12.927 ( -3.414 -2.897 -5.488) 7.083 14.513 ( 10.361 -4.760 -4.689) 12.329 14.703 ( 5.853 -2.539 4.525) 7.822 15.952 ( -1.422 -0.221 -1.605) 2.156 16.115 ( 3.455 -0.157 2.094) 4.043 21.903 ( 2.010 4.188 -3.427) 5.773 21.951 ( 0.585 -1.622 7.347) 7.547 22.225 ( 3.633 4.278 -2.427) 6.115 22.446 ( 8.179 -0.269 -2.046) 8.435 22.515 ( 6.320 2.377 2.450) 7.183 22.804 ( -0.616 3.829 -2.333) 4.526 24.145 ( -15.373 -4.612 2.925) 16.314 24.436 ( -18.496 -1.873 -2.116) 18.711 25.661 ( 21.494 -4.837 1.836) 22.108 25.866 ( 20.335 -6.473 -4.462) 21.802 27.938 ( -0.851 -0.609 -1.052) 1.484 28.221 ( -7.731 -2.506 2.332) 8.455 ======================= Grid point 149 (66/117) ======================= q-point: (-0.60 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -0.211 0.000 2.423) 2.432 1.851 ( 4.668 -0.000 -3.730) 5.976 2.349 ( -7.976 0.000 -3.519) 8.718 2.646 ( 3.080 -0.000 -1.779) 3.557 2.714 ( -1.924 0.000 6.507) 6.786 2.744 ( 1.328 -0.000 -0.354) 1.374 3.018 ( 2.928 -0.000 9.761) 10.191 3.102 ( -12.252 0.000 3.499) 12.742 3.217 ( 0.967 -0.000 3.633) 3.759 3.314 ( -4.703 0.000 -5.088) 6.929 3.413 ( -4.482 0.000 -5.332) 6.966 3.448 ( -3.048 0.000 -1.406) 3.356 3.610 ( 9.131 -0.000 5.645) 10.735 3.654 ( 3.515 -0.000 -8.249) 8.966 3.813 ( 0.943 -0.000 3.511) 3.635 3.883 ( 1.304 -0.000 5.088) 5.252 3.954 ( -1.681 0.000 -14.975) 15.069 4.191 ( 8.519 -0.000 -12.468) 15.101 4.346 ( -1.931 0.000 7.444) 7.691 4.461 ( -10.167 0.000 7.440) 12.598 4.473 ( -1.789 0.000 1.322) 2.225 4.785 ( -0.814 0.000 -3.322) 3.421 4.904 ( -11.141 0.000 1.703) 11.270 4.911 ( -1.206 0.000 -2.885) 3.127 5.003 ( -0.770 0.000 6.121) 6.169 5.089 ( -1.355 0.000 7.993) 8.107 5.271 ( -10.518 0.000 1.568) 10.634 5.379 ( -2.613 0.000 -1.555) 3.041 5.471 ( -3.707 0.000 -3.346) 4.994 5.680 ( -15.194 0.000 -9.994) 18.186 6.059 ( 0.583 -0.000 3.266) 3.317 6.563 ( -0.543 0.000 5.316) 5.343 7.030 ( -17.104 0.000 -6.672) 18.359 7.205 ( -3.490 0.000 -7.047) 7.864 7.337 ( -12.579 0.000 -2.259) 12.780 7.391 ( 2.024 -0.000 6.027) 6.358 7.566 ( -20.367 0.000 4.131) 20.781 7.641 ( -10.294 0.000 5.391) 11.620 8.134 ( -16.852 0.000 6.026) 17.897 8.300 ( -8.465 0.000 -10.791) 13.715 8.512 ( -22.408 0.000 -1.885) 22.487 8.608 ( -7.396 0.000 -4.936) 8.892 9.556 ( 12.150 -0.000 -0.585) 12.164 9.617 ( 6.563 -0.000 5.634) 8.650 9.946 ( 1.194 -0.000 -1.414) 1.851 10.070 ( 17.793 -0.000 13.786) 22.509 10.973 ( -9.119 0.000 1.008) 9.174 10.980 ( -11.607 0.000 -5.076) 12.668 11.724 ( -1.223 0.000 -3.717) 3.913 11.928 ( 8.594 -0.000 0.735) 8.626 11.938 ( -4.104 0.000 -9.794) 10.619 12.014 ( -12.968 0.000 -7.500) 14.981 12.413 ( 25.311 -0.000 2.572) 25.441 12.559 ( -7.547 0.000 4.337) 8.705 12.731 ( 4.214 -0.000 8.216) 9.234 12.832 ( 19.403 -0.000 3.127) 19.654 14.395 ( 0.655 -0.000 -8.436) 8.461 14.576 ( -9.380 0.000 5.519) 10.883 15.929 ( -4.593 0.000 -2.130) 5.062 16.195 ( 2.058 -0.000 2.226) 3.032 21.820 ( 1.288 -0.000 1.659) 2.100 22.129 ( -6.295 0.000 0.666) 6.330 22.346 ( -5.651 0.000 -4.112) 6.989 22.376 ( -14.537 0.000 0.145) 14.538 22.739 ( 2.671 -0.000 4.294) 5.057 23.082 ( 4.932 -0.000 -4.351) 6.577 23.909 ( 10.888 -0.000 8.671) 13.919 24.314 ( 15.822 -0.000 -6.584) 17.137 25.538 ( -18.141 0.000 -3.468) 18.469 25.602 ( -17.008 0.000 1.730) 17.096 28.017 ( 6.933 -0.000 -2.925) 7.525 28.047 ( 0.803 -0.000 4.085) 4.163 ======================= Grid point 151 (67/117) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -1.801 9.271 3.260) 9.991 1.989 ( 5.137 -0.099 -3.592) 6.269 2.196 ( -4.768 -1.322 4.091) 6.420 2.576 ( -6.556 7.745 6.661) 12.138 2.695 ( 1.542 0.531 -0.171) 1.640 2.765 ( -1.800 -4.302 -2.682) 5.380 2.859 ( -9.731 1.453 4.018) 10.628 3.098 ( 2.684 2.871 9.901) 10.653 3.162 ( -5.892 1.510 -5.471) 8.181 3.223 ( -1.632 4.969 1.505) 5.442 3.338 ( -5.296 4.409 -2.962) 7.501 3.391 ( -1.626 -6.952 -2.228) 7.479 3.698 ( 2.452 -2.168 -4.695) 5.724 3.775 ( 0.011 1.047 -3.678) 3.824 3.837 ( 6.152 -1.919 6.164) 8.918 3.929 ( -0.216 -1.273 -8.081) 8.183 3.940 ( 4.769 0.412 5.490) 7.284 4.257 ( -0.010 5.668 -2.544) 6.213 4.307 ( -2.742 2.092 7.276) 8.052 4.340 ( -1.243 0.203 6.542) 6.662 4.466 ( 1.321 0.242 -6.748) 6.880 4.640 ( -14.954 0.032 2.793) 15.213 4.783 ( 3.797 6.517 -5.200) 9.161 4.872 ( -0.159 1.280 -8.466) 8.564 5.016 ( -2.726 2.662 -3.396) 5.104 5.078 ( 0.000 1.241 2.954) 3.204 5.095 ( -6.054 4.125 -1.153) 7.416 5.314 ( -0.340 4.024 -0.082) 4.039 5.465 ( -6.756 -4.609 -3.574) 8.925 5.542 ( 1.844 -9.007 -4.918) 10.426 6.140 ( 8.752 -0.124 2.645) 9.144 6.421 ( -13.772 -0.250 7.104) 15.498 6.850 ( -1.598 -0.040 -3.580) 3.920 6.995 ( -21.103 -0.374 -0.428) 21.111 7.168 ( -3.294 -1.266 -1.517) 3.841 7.364 ( -1.161 1.645 11.756) 11.927 7.428 ( -3.821 -2.046 2.833) 5.178 7.577 ( -1.169 -4.124 7.298) 8.464 7.937 ( -7.015 -2.906 1.722) 7.786 8.163 ( -10.986 -0.332 -4.509) 11.880 8.184 ( -9.457 -2.415 -5.849) 11.379 8.501 ( -4.480 -0.483 -10.223) 11.172 9.740 ( 6.564 -0.738 7.276) 9.826 9.807 ( 14.649 -1.773 -3.329) 15.127 9.941 ( -1.992 -1.523 2.908) 3.840 10.347 ( 8.877 -0.256 3.770) 9.648 10.806 ( -5.218 -2.498 0.276) 5.792 10.856 ( -4.457 -2.099 -1.554) 5.166 11.490 ( -27.656 0.411 -0.176) 27.660 11.723 ( 1.947 1.194 -7.622) 7.957 12.008 ( 3.117 2.367 -0.540) 3.950 12.049 ( 1.135 -2.410 -4.022) 4.824 12.460 ( -2.832 1.753 4.450) 5.558 12.578 ( -3.021 -2.628 5.880) 7.114 13.042 ( 24.795 0.694 -2.854) 24.968 13.191 ( 16.186 -0.190 3.787) 16.624 14.397 ( -12.666 -0.940 9.432) 15.820 14.435 ( 4.793 0.820 -10.961) 11.991 15.868 ( -1.650 -0.486 0.720) 1.865 16.200 ( -1.062 0.802 -1.516) 2.017 21.818 ( -1.734 -0.027 1.689) 2.421 21.982 ( -9.607 0.326 -0.147) 9.613 22.152 ( -8.875 0.026 0.649) 8.899 22.236 ( -5.201 -0.737 -2.900) 6.001 22.780 ( 3.005 3.455 4.973) 6.760 23.124 ( 2.233 4.363 -5.113) 7.083 24.087 ( 6.542 -3.374 9.915) 12.349 24.555 ( 10.272 -1.335 -7.573) 12.831 25.295 ( -8.652 0.819 -1.100) 8.760 25.385 ( -8.805 -2.500 -1.461) 9.268 28.055 ( -0.278 -0.334 4.460) 4.481 28.131 ( 5.201 -0.995 -3.001) 6.087 ======================= Grid point 152 (68/117) ======================= q-point: (-0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 2.301 12.663 7.653) 14.974 1.971 ( -0.633 2.356 -5.032) 5.592 2.167 ( 1.780 13.096 12.561) 18.233 2.532 ( 4.512 -1.660 6.980) 8.476 2.658 ( -5.252 4.089 -0.294) 6.662 2.716 ( -2.667 2.777 0.244) 3.858 2.756 ( -0.649 -1.424 -5.692) 5.904 3.040 ( -3.024 1.817 -8.473) 9.179 3.118 ( 0.954 1.122 7.434) 7.578 3.193 ( 1.715 3.206 -0.562) 3.679 3.232 ( 0.461 7.462 -1.694) 7.666 3.456 ( 0.508 -8.938 -0.035) 8.953 3.699 ( -2.952 4.628 -3.022) 6.267 3.763 ( 0.312 -4.013 -0.678) 4.082 3.869 ( -2.229 3.355 4.071) 5.726 3.968 ( 0.906 -1.381 2.099) 2.671 4.032 ( 4.649 4.174 2.882) 6.881 4.157 ( -1.530 7.137 -0.631) 7.326 4.240 ( -0.593 3.811 6.101) 7.218 4.380 ( -1.921 -0.492 4.559) 4.972 4.422 ( 2.514 1.467 6.020) 6.687 4.508 ( -1.756 -2.684 -9.095) 9.644 4.735 ( 0.732 13.889 -0.104) 13.909 4.870 ( 1.701 1.055 -11.723) 11.893 4.897 ( -0.907 8.697 -10.646) 13.777 4.964 ( -2.115 2.347 -11.436) 11.865 5.124 ( 2.367 0.330 2.587) 3.522 5.267 ( 0.641 4.459 -0.142) 4.507 5.500 ( -0.006 -9.896 -0.934) 9.940 5.659 ( 0.150 -9.678 -4.703) 10.761 6.242 ( -5.080 -0.387 3.187) 6.009 6.369 ( 16.047 -1.032 -3.055) 16.368 6.659 ( -16.554 -0.537 11.249) 20.021 6.886 ( 3.141 -1.452 1.946) 3.970 7.174 ( 5.076 -0.555 7.425) 9.011 7.352 ( -4.380 -1.081 -4.638) 6.471 7.415 ( 4.030 -1.887 13.203) 13.933 7.607 ( -0.478 -4.704 5.446) 7.212 7.909 ( 0.149 -2.495 4.967) 5.561 8.028 ( -4.634 -7.413 -3.774) 9.522 8.182 ( 3.341 -4.162 -9.721) 11.090 8.464 ( 0.827 -0.020 -12.691) 12.718 9.784 ( -4.829 -2.804 6.216) 8.356 9.971 ( 4.204 -1.307 6.859) 8.150 10.052 ( 6.058 -4.318 -4.576) 8.735 10.327 ( -6.006 -1.024 -4.653) 7.666 10.784 ( -5.791 -1.931 -1.695) 6.335 10.877 ( -2.184 -6.341 -3.863) 7.739 11.215 ( 6.392 -0.028 13.985) 15.376 11.744 ( 1.059 1.296 -8.330) 8.497 12.017 ( 0.903 3.279 -1.475) 3.707 12.073 ( 0.656 -1.262 -3.659) 3.926 12.406 ( -1.076 3.480 7.365) 8.217 12.568 ( -0.488 -5.030 0.866) 5.127 13.299 ( -5.264 -0.368 0.395) 5.292 13.357 ( 7.795 1.638 -2.194) 8.262 14.176 ( -10.820 -2.306 7.724) 13.493 14.549 ( 8.937 1.589 -6.833) 11.362 15.897 ( 4.041 -0.661 4.124) 5.811 16.139 ( -4.571 1.264 -5.350) 7.150 21.796 ( 1.031 0.571 1.911) 2.246 21.868 ( -0.929 -0.424 -0.829) 1.315 22.072 ( -0.808 0.843 1.822) 2.164 22.197 ( -0.156 -1.452 -2.825) 3.180 22.771 ( 1.291 7.471 6.147) 9.760 23.083 ( -0.506 6.867 -5.607) 8.880 24.191 ( -0.180 -5.842 9.573) 11.217 24.671 ( 0.433 -2.962 -7.706) 8.267 25.209 ( 0.238 2.073 1.184) 2.400 25.335 ( -0.244 -4.008 -4.467) 6.007 28.039 ( -2.278 -0.423 4.352) 4.930 28.209 ( 1.818 -2.195 -2.397) 3.724 ======================= Grid point 153 (69/117) ======================= q-point: (-0.30 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 5.077 11.136 5.364) 13.362 1.943 ( -0.168 4.089 -5.188) 6.608 2.100 ( 8.031 18.361 15.391) 25.268 2.569 ( -0.468 -0.265 -1.954) 2.027 2.636 ( 7.322 -1.560 3.280) 8.173 2.735 ( 2.951 0.758 -4.681) 5.586 2.737 ( 1.530 7.793 -2.678) 8.382 2.975 ( 1.225 7.632 -0.996) 7.794 3.131 ( -0.090 6.001 -1.883) 6.290 3.140 ( 1.103 3.854 -1.998) 4.479 3.269 ( 5.169 2.033 3.679) 6.662 3.507 ( 1.337 5.451 -5.401) 7.789 3.645 ( -1.849 -3.987 1.164) 4.547 3.691 ( -6.349 2.103 6.945) 9.642 3.838 ( -0.161 0.223 4.600) 4.608 3.940 ( -3.270 -3.057 -2.842) 5.302 4.030 ( 0.255 8.000 6.030) 10.021 4.050 ( -0.822 6.197 -3.668) 7.249 4.269 ( 4.225 4.020 3.426) 6.764 4.359 ( 3.159 -0.982 5.936) 6.795 4.514 ( 0.496 -1.718 -4.097) 4.470 4.536 ( 5.284 2.359 0.839) 5.847 4.672 ( 2.362 3.709 -2.077) 4.863 4.817 ( 4.901 9.047 -13.354) 16.858 4.903 ( 0.484 4.673 -8.159) 9.415 4.966 ( 6.594 0.459 -4.976) 8.274 5.161 ( 3.742 0.085 2.595) 4.554 5.299 ( 5.477 0.485 1.374) 5.667 5.565 ( -2.792 -9.174 -3.786) 10.310 5.717 ( -0.895 -6.545 -3.951) 7.697 6.254 ( 4.703 -0.603 -0.483) 4.766 6.425 ( -10.199 0.557 15.386) 18.468 6.700 ( 19.462 -0.828 -6.674) 20.591 6.982 ( 7.030 -1.621 4.312) 8.404 7.293 ( -3.191 -2.614 -4.160) 5.858 7.368 ( 11.182 -2.673 5.093) 12.574 7.496 ( 3.482 -0.010 7.847) 8.585 7.702 ( 7.343 -5.619 6.527) 11.318 8.031 ( 5.292 -6.737 5.150) 9.995 8.097 ( 8.892 -5.235 -6.352) 12.117 8.351 ( 9.947 -5.948 -6.242) 13.164 8.520 ( 5.184 -0.657 -10.198) 11.459 9.694 ( -7.708 -3.863 3.542) 9.321 9.939 ( -10.866 -2.014 1.601) 11.167 10.098 ( -8.567 -1.243 3.388) 9.296 10.156 ( -8.121 -2.264 2.373) 8.758 10.852 ( 13.568 -5.420 -0.968) 14.643 10.945 ( 2.474 -6.829 -2.225) 7.596 11.516 ( 19.253 0.076 -0.330) 19.256 11.708 ( -2.343 1.930 -5.358) 6.158 11.976 ( -2.004 3.546 -1.964) 4.522 12.123 ( 4.109 -1.652 -4.867) 6.581 12.364 ( -0.542 3.927 10.474) 11.199 12.657 ( 5.119 -2.979 2.890) 6.590 13.051 ( -21.267 -1.907 -3.918) 21.708 13.181 ( -22.632 2.116 4.075) 23.093 14.197 ( 8.133 -4.225 -1.735) 9.328 14.657 ( 3.999 2.018 -0.521) 4.510 15.991 ( 3.546 0.470 3.070) 4.714 16.045 ( -1.908 0.403 -3.915) 4.374 21.857 ( 4.725 0.196 3.528) 5.900 21.941 ( 5.411 -0.036 -2.796) 6.091 22.104 ( 6.947 1.310 0.657) 7.100 22.270 ( 7.017 -2.166 -1.752) 7.549 22.699 ( -0.100 10.002 6.388) 11.869 22.990 ( -2.230 7.059 -5.244) 9.072 24.184 ( -7.603 -6.690 7.801) 12.783 24.612 ( -10.357 -3.872 -6.681) 12.919 25.284 ( 10.192 0.064 1.446) 10.294 25.451 ( 9.761 -4.150 -4.535) 11.535 27.987 ( -3.495 0.161 2.886) 4.535 28.227 ( -2.619 -3.044 -0.702) 4.077 ======================= Grid point 154 (70/117) ======================= q-point: (-0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 1.369 6.222 -2.980) 7.033 1.891 ( 0.594 5.853 0.793) 5.936 2.156 ( 14.279 14.383 12.963) 24.058 2.549 ( -6.055 0.680 -7.230) 9.455 2.565 ( -3.669 16.487 -1.297) 16.940 2.778 ( 5.958 0.398 -2.517) 6.480 2.842 ( 5.954 0.284 1.647) 6.184 3.005 ( 9.033 5.957 -0.292) 10.824 3.056 ( 1.631 8.775 -3.855) 9.722 3.154 ( 4.384 0.993 -1.478) 4.732 3.327 ( 3.953 2.929 2.624) 5.576 3.470 ( -3.180 4.108 -0.416) 5.212 3.566 ( 6.001 11.178 2.973) 13.031 3.694 ( -2.550 -7.884 5.459) 9.923 3.858 ( 1.050 1.955 1.638) 2.758 3.876 ( -5.435 1.575 -1.634) 5.889 3.971 ( -2.601 -9.560 2.197) 10.148 4.035 ( 4.301 7.300 4.807) 9.742 4.297 ( 3.664 2.836 -1.276) 4.806 4.434 ( 3.407 3.599 0.742) 5.011 4.513 ( -0.261 1.770 -7.625) 7.832 4.564 ( 1.030 2.732 0.266) 2.932 4.708 ( 3.193 1.274 -3.489) 4.898 4.849 ( 2.994 7.349 -4.128) 8.945 4.930 ( 8.792 -2.383 -4.054) 9.971 5.098 ( 8.198 0.314 -1.828) 8.405 5.304 ( 8.081 -1.783 4.606) 9.471 5.434 ( 7.981 -4.624 2.980) 9.693 5.615 ( 2.557 -6.137 -4.944) 8.285 5.765 ( 2.484 -2.127 -4.552) 5.605 6.250 ( -6.052 3.140 13.508) 15.131 6.385 ( 4.529 -1.614 -1.757) 5.119 7.051 ( 19.635 -0.608 -5.854) 20.498 7.205 ( 14.760 -1.123 -0.895) 14.829 7.292 ( 2.258 -2.319 1.303) 3.489 7.503 ( 4.372 -1.372 -0.307) 4.593 7.620 ( 9.044 -3.623 4.566) 10.760 7.973 ( 12.837 -3.070 3.088) 13.555 8.165 ( 9.369 -8.421 -2.454) 12.834 8.444 ( 20.552 -1.847 -1.835) 20.716 8.583 ( 9.322 -2.888 -0.484) 9.771 8.658 ( 10.665 -3.555 -4.681) 12.178 9.602 ( -6.918 -3.732 1.976) 8.106 9.731 ( -14.001 -0.109 4.353) 14.662 9.788 ( -16.607 -3.358 2.189) 17.084 10.167 ( -2.346 -2.212 5.967) 6.783 11.043 ( 2.025 -5.033 -1.215) 5.560 11.187 ( 14.040 -5.187 -4.414) 15.605 11.579 ( -4.533 2.450 -1.128) 5.274 11.847 ( 9.702 1.613 -10.487) 14.377 11.876 ( -3.629 2.951 -0.060) 4.678 12.224 ( 0.378 -2.671 -1.344) 3.014 12.296 ( -0.857 5.020 6.188) 8.014 12.572 ( -18.284 0.492 -0.621) 18.301 12.718 ( -23.757 -1.805 7.530) 24.987 12.882 ( 4.720 -1.992 -1.243) 5.272 14.427 ( 11.634 -4.471 -5.638) 13.680 14.676 ( 1.533 -0.327 3.977) 4.274 15.959 ( -1.930 0.822 -2.742) 3.452 16.112 ( 4.024 -0.190 3.029) 5.040 21.920 ( 1.846 -1.029 6.183) 6.534 21.976 ( 0.920 2.530 -4.532) 5.271 22.265 ( 8.444 1.095 -1.904) 8.725 22.450 ( 9.935 -0.350 -1.352) 10.033 22.618 ( 1.415 8.305 4.885) 9.739 22.888 ( -2.347 5.363 -3.456) 6.798 24.052 ( -13.779 -5.461 4.975) 15.634 24.388 ( -17.388 -3.095 -4.212) 18.156 25.574 ( 19.667 -4.142 0.854) 20.117 25.758 ( 19.530 -5.247 -2.859) 20.423 27.931 ( -2.356 -0.138 0.006) 2.360 28.173 ( -6.182 -2.571 1.322) 6.825 ======================= Grid point 155 (71/117) ======================= q-point: (-0.10 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 5.364 2.303 -3.497) 6.804 1.874 ( 4.360 7.996 -0.594) 9.127 2.257 ( -4.465 12.808 -2.831) 13.856 2.334 ( 16.720 17.364 6.095) 24.864 2.510 ( -2.253 -2.692 3.756) 5.141 2.822 ( -2.416 4.517 -1.466) 5.329 2.879 ( 3.539 -3.270 -8.631) 9.885 3.023 ( 0.699 1.436 1.021) 1.896 3.113 ( 5.347 5.595 3.475) 8.484 3.281 ( 5.337 -4.287 0.676) 6.879 3.358 ( -2.310 2.452 0.024) 3.369 3.394 ( 4.973 1.190 -2.395) 5.646 3.541 ( -3.527 2.330 -1.438) 4.464 3.712 ( -0.839 11.432 2.522) 11.737 3.792 ( 4.963 -2.826 6.668) 8.779 3.881 ( 1.412 0.950 -1.335) 2.163 4.062 ( 2.087 -2.539 9.930) 10.460 4.080 ( 3.440 -6.018 2.008) 7.216 4.348 ( 2.546 1.009 -3.970) 4.823 4.428 ( 2.556 3.568 0.334) 4.401 4.472 ( -0.591 4.636 -8.909) 10.061 4.542 ( -0.456 1.836 -0.648) 2.000 4.717 ( 1.114 5.955 -2.882) 6.709 4.824 ( -1.757 -1.009 -2.016) 2.858 5.168 ( 11.825 -3.059 -0.530) 12.226 5.235 ( 8.281 2.088 -1.843) 8.737 5.382 ( -0.416 -4.526 7.239) 8.547 5.636 ( 4.890 -6.261 -5.068) 9.423 5.757 ( 9.008 -1.784 -0.162) 9.185 5.878 ( 9.637 -0.421 -6.237) 11.487 6.114 ( -4.594 6.449 11.463) 13.932 6.450 ( 0.230 -2.493 -3.614) 4.396 7.303 ( 3.493 -2.148 3.179) 5.188 7.397 ( 10.446 -2.620 -3.723) 11.395 7.437 ( 8.401 -1.559 -2.066) 8.790 7.679 ( 9.408 0.226 -2.696) 9.789 7.953 ( 29.032 -2.218 3.092) 29.280 8.161 ( 13.744 0.508 -2.330) 13.950 8.537 ( 17.800 -6.538 -0.612) 18.973 8.659 ( 6.535 -0.764 3.055) 7.254 8.833 ( 12.353 -3.074 -0.419) 12.736 8.940 ( 18.335 0.088 0.500) 18.342 9.483 ( -9.732 -0.926 5.006) 10.983 9.515 ( -8.678 -2.998 2.954) 9.644 9.638 ( -5.617 -4.410 -1.558) 7.309 10.087 ( -8.651 -1.451 -0.088) 8.773 11.029 ( -11.864 -0.521 -2.909) 12.227 11.259 ( -10.503 0.232 -2.163) 10.726 11.439 ( -13.960 0.263 4.231) 14.589 11.749 ( -0.959 2.074 3.831) 4.460 11.857 ( -5.123 0.263 -0.071) 5.131 12.090 ( -6.090 -0.218 -8.535) 10.487 12.343 ( -3.130 1.371 4.708) 5.817 12.398 ( 5.390 -2.129 -2.003) 6.131 12.556 ( 0.129 -3.605 1.126) 3.779 12.970 ( 4.137 3.402 -3.005) 6.141 14.639 ( 8.416 -3.734 0.023) 9.208 14.798 ( 9.005 -4.607 0.874) 10.152 15.912 ( -3.156 0.273 -0.351) 3.187 16.149 ( 0.023 0.342 1.116) 1.167 21.934 ( -1.511 1.770 -2.546) 3.449 21.972 ( 2.063 0.058 5.473) 5.850 22.330 ( 3.585 4.716 -4.167) 7.242 22.540 ( 1.994 2.219 0.141) 2.987 22.653 ( 6.465 1.912 1.813) 6.981 22.813 ( -1.670 3.209 -0.747) 3.694 23.821 ( -16.294 -3.500 1.732) 16.755 24.098 ( -16.823 -1.859 -1.697) 17.011 25.995 ( 20.967 -5.602 0.823) 21.718 26.160 ( 18.353 -4.526 -1.446) 18.958 27.920 ( 0.061 -2.023 -2.345) 3.098 28.067 ( -7.478 -1.098 2.380) 7.924 ======================= Grid point 161 (72/117) ======================= q-point: ( 0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 0.251 0.000 4.169) 4.177 1.988 ( -0.042 0.000 -2.671) 2.671 2.263 ( 7.547 0.000 9.098) 11.821 2.559 ( -2.893 0.000 11.252) 11.618 2.691 ( -4.261 -0.000 -5.160) 6.692 2.713 ( -2.077 0.000 1.504) 2.564 2.748 ( 0.328 0.000 -0.633) 0.713 3.053 ( -0.947 0.000 -9.347) 9.395 3.134 ( -0.136 0.000 12.344) 12.344 3.203 ( -2.251 0.000 5.157) 5.627 3.334 ( 0.467 0.000 -8.156) 8.170 3.347 ( 1.036 0.000 -1.143) 1.543 3.680 ( -0.717 0.000 -6.939) 6.976 3.835 ( 0.856 -0.000 9.894) 9.931 3.851 ( 2.144 0.000 -12.565) 12.746 3.952 ( -2.278 -0.000 3.453) 4.137 4.059 ( 7.655 -0.000 7.547) 10.750 4.238 ( -5.981 -0.000 1.683) 6.213 4.271 ( 0.942 0.000 -1.986) 2.198 4.373 ( -1.747 0.000 6.420) 6.654 4.443 ( 0.411 0.000 6.439) 6.452 4.473 ( -1.078 0.000 -9.230) 9.293 4.853 ( 3.523 0.000 -8.102) 8.835 4.945 ( -4.879 0.000 -11.650) 12.630 4.990 ( 5.824 0.000 -6.567) 8.777 5.018 ( -4.105 0.000 -2.476) 4.794 5.100 ( 1.325 0.000 3.156) 3.423 5.331 ( -1.802 -0.000 5.033) 5.345 5.404 ( 2.119 0.000 -9.115) 9.358 5.511 ( 0.364 0.000 -1.864) 1.899 6.239 ( -4.893 0.000 2.775) 5.625 6.359 ( 15.866 0.000 -3.079) 16.162 6.656 ( -16.064 0.000 11.029) 19.486 6.875 ( 3.152 0.000 0.947) 3.291 7.166 ( 5.031 0.000 6.143) 7.940 7.340 ( -5.963 0.000 -4.662) 7.569 7.399 ( 4.973 0.000 15.084) 15.883 7.561 ( -0.054 0.000 5.287) 5.288 7.877 ( 2.536 0.000 0.974) 2.716 7.965 ( -6.813 0.000 0.213) 6.817 8.142 ( 2.676 0.000 -9.290) 9.668 8.466 ( 1.082 0.000 -13.673) 13.716 9.758 ( -4.968 0.000 5.288) 7.256 9.960 ( 5.859 0.000 8.472) 10.301 10.009 ( 4.396 0.000 -5.201) 6.810 10.316 ( -5.136 0.000 -4.637) 6.920 10.780 ( -8.173 -0.000 -2.901) 8.673 10.801 ( -0.001 0.000 -2.244) 2.244 11.215 ( 5.773 0.000 14.117) 15.252 11.756 ( 1.006 0.000 -8.606) 8.664 12.051 ( 0.850 -0.000 -2.558) 2.695 12.058 ( 0.996 0.000 -2.431) 2.627 12.473 ( 3.188 -0.000 3.640) 4.839 12.484 ( -4.684 0.000 3.147) 5.643 13.297 ( -5.345 0.000 0.871) 5.416 13.373 ( 8.350 0.000 -2.641) 8.757 14.155 ( -11.490 0.000 8.960) 14.571 14.564 ( 8.920 0.000 -7.133) 11.422 15.891 ( 4.312 0.000 4.511) 6.240 16.151 ( -4.739 0.000 -5.594) 7.331 21.803 ( 1.572 0.000 1.949) 2.504 21.861 ( -1.791 0.000 -0.346) 1.824 22.084 ( 0.228 0.000 0.922) 0.950 22.181 ( -0.754 0.000 -2.709) 2.812 22.843 ( 1.635 0.000 5.749) 5.977 23.152 ( -1.013 0.000 -6.227) 6.308 24.132 ( -0.117 0.000 10.774) 10.775 24.641 ( 0.151 0.000 -7.978) 7.979 25.246 ( 1.904 0.000 -0.477) 1.963 25.279 ( -1.741 -0.000 -2.443) 3.000 28.035 ( -1.899 0.000 3.708) 4.166 28.188 ( 1.630 0.000 -2.244) 2.773 ======================= Grid point 163 (73/117) ======================= q-point: (-0.40 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 1.249 5.238 3.387) 6.362 1.992 ( -1.712 1.334 -3.989) 4.541 2.363 ( 5.819 8.577 9.703) 14.198 2.521 ( 3.538 -2.195 7.478) 8.559 2.593 ( -2.092 -2.081 -6.367) 7.018 2.743 ( 1.176 0.511 -1.269) 1.804 2.837 ( 10.295 2.476 1.896) 10.757 3.098 ( 2.409 4.308 2.011) 5.330 3.143 ( 4.616 1.751 0.875) 5.014 3.198 ( -0.577 -4.339 6.276) 7.652 3.329 ( 1.860 5.950 -5.957) 8.623 3.409 ( 2.355 -6.098 -2.325) 6.938 3.664 ( -1.444 -0.831 -4.158) 4.480 3.758 ( -7.194 6.355 3.033) 10.067 3.875 ( -4.828 -4.257 4.406) 7.800 3.886 ( 1.929 2.211 -8.530) 9.020 4.084 ( -9.373 1.255 -1.656) 9.600 4.186 ( 6.292 5.119 3.404) 8.796 4.307 ( 2.955 -1.089 0.405) 3.175 4.342 ( 2.408 -1.182 6.089) 6.654 4.475 ( 1.699 -0.795 -2.211) 2.900 4.589 ( 10.049 2.083 2.677) 10.606 4.804 ( -4.031 6.360 -4.746) 8.901 4.930 ( 2.012 4.796 -6.231) 8.116 4.961 ( 4.877 1.335 -5.822) 7.711 5.055 ( 6.007 7.066 -4.886) 10.482 5.154 ( 1.822 -0.870 3.701) 4.216 5.273 ( -5.852 -6.199 5.330) 10.054 5.451 ( 4.252 1.761 -5.904) 7.485 5.576 ( 2.476 -8.468 -5.077) 10.180 6.253 ( 5.194 0.119 -1.562) 5.425 6.435 ( -8.538 0.421 14.591) 16.910 6.689 ( 19.843 -0.333 -7.102) 21.078 6.966 ( 7.993 -0.327 3.274) 8.644 7.241 ( -5.367 -2.019 -5.588) 8.007 7.337 ( 10.720 -0.853 5.193) 11.942 7.522 ( 4.673 2.676 9.183) 10.645 7.596 ( 7.529 -5.255 8.874) 12.769 7.921 ( -0.361 -3.676 -3.344) 4.983 8.046 ( 16.060 -1.053 1.031) 16.128 8.270 ( 10.377 -2.499 -6.408) 12.450 8.517 ( 4.811 0.085 -11.629) 12.585 9.647 ( -7.151 -1.261 3.034) 7.869 9.900 ( -12.125 -1.514 -0.373) 12.224 10.077 ( 4.291 -0.525 10.017) 10.910 10.142 ( -18.040 -0.114 -1.805) 18.131 10.776 ( 12.527 -2.372 0.162) 12.750 10.852 ( 3.896 -2.824 -2.166) 5.277 11.516 ( 20.677 -0.018 0.081) 20.677 11.735 ( -2.693 0.871 -5.187) 5.909 12.035 ( -1.584 2.860 -4.127) 5.265 12.085 ( 1.651 -2.367 -3.784) 4.759 12.421 ( -0.800 1.972 5.948) 6.317 12.599 ( 8.670 -2.337 5.961) 10.778 13.032 ( -22.872 -0.374 -2.882) 23.056 13.211 ( -23.536 0.947 3.820) 23.862 14.143 ( 8.135 -1.512 -0.362) 8.282 14.685 ( 3.893 0.874 -1.299) 4.196 15.997 ( 6.385 0.169 5.811) 8.635 16.052 ( -4.776 0.248 -6.635) 8.179 21.867 ( 4.155 0.593 3.817) 5.673 21.926 ( 5.930 -1.010 -2.323) 6.448 22.143 ( 7.725 2.287 0.175) 8.058 22.227 ( 6.505 -2.097 -2.235) 7.191 22.835 ( -0.566 4.094 6.323) 7.554 23.093 ( -3.309 3.382 -6.608) 8.127 24.088 ( -6.964 -3.160 9.853) 12.472 24.556 ( -10.070 -1.777 -7.440) 12.646 25.304 ( 7.488 1.711 -1.422) 7.812 25.380 ( 10.315 -3.156 -1.216) 10.855 27.991 ( -3.131 0.134 2.249) 3.857 28.186 ( -2.314 -1.196 -0.780) 2.719 ======================= Grid point 164 (74/117) ======================= q-point: (-0.30 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -2.306 5.915 -1.651) 6.560 1.934 ( -1.827 0.222 0.098) 1.843 2.399 ( 8.181 8.801 5.206) 13.095 2.535 ( -1.358 0.937 -4.357) 4.659 2.662 ( -1.768 -1.619 0.439) 2.437 2.767 ( 1.581 -0.351 -0.715) 1.770 2.972 ( 10.118 10.060 2.842) 14.548 3.133 ( 5.227 3.688 6.651) 9.229 3.170 ( 1.727 3.448 -3.586) 5.266 3.241 ( 3.141 8.736 -5.349) 10.714 3.303 ( 1.482 -4.514 4.740) 6.711 3.506 ( 0.521 -5.795 -1.495) 6.008 3.578 ( -5.947 2.255 1.743) 6.595 3.675 ( 2.299 0.583 -0.028) 2.372 3.816 ( -4.055 -2.873 1.796) 5.284 3.861 ( -4.464 0.949 -3.114) 5.525 3.972 ( -0.222 0.620 -4.950) 4.994 4.164 ( 0.008 6.027 -1.437) 6.195 4.361 ( 2.305 1.079 2.561) 3.610 4.478 ( 6.250 1.833 3.861) 7.572 4.510 ( 3.425 1.100 -0.228) 3.605 4.665 ( 3.033 6.792 -0.204) 7.442 4.746 ( 2.643 3.416 -0.085) 4.320 4.917 ( 4.569 1.062 -3.204) 5.681 5.023 ( -0.108 7.414 -4.255) 8.548 5.119 ( 8.633 2.478 2.147) 9.234 5.254 ( 8.630 -5.717 3.388) 10.892 5.276 ( -2.121 -7.535 3.397) 8.533 5.551 ( 7.578 -1.759 -1.869) 8.000 5.724 ( 8.455 -2.208 -7.349) 11.418 6.309 ( -2.042 3.038 8.503) 9.257 6.369 ( 3.146 -0.555 -0.876) 3.312 7.037 ( 18.231 -0.782 -6.185) 19.267 7.161 ( 4.268 -3.496 -3.493) 6.530 7.251 ( 12.464 -1.224 2.347) 12.742 7.490 ( 6.405 -0.024 1.697) 6.626 7.569 ( 6.051 -2.146 3.192) 7.170 7.920 ( 18.627 -2.780 8.518) 20.670 8.014 ( 7.872 -6.419 -4.960) 11.304 8.426 ( 23.757 -0.396 -3.763) 24.056 8.518 ( 13.378 -3.562 -1.522) 13.927 8.614 ( 6.713 -1.263 -6.672) 9.548 9.551 ( -5.355 -1.798 1.581) 5.866 9.702 ( -11.462 -2.143 1.561) 11.764 9.768 ( -20.287 0.265 6.339) 21.256 10.140 ( -0.453 -0.872 8.081) 8.140 10.964 ( 4.687 -3.222 -1.816) 5.970 11.096 ( 16.470 -4.250 -3.233) 17.314 11.630 ( -5.771 2.786 -0.424) 6.423 11.857 ( 14.582 -0.499 -10.910) 18.218 11.941 ( -4.996 4.242 -3.959) 7.657 12.157 ( 1.176 -4.470 -3.520) 5.810 12.385 ( -3.977 4.192 8.995) 10.691 12.544 ( -21.754 -2.543 -1.288) 21.940 12.710 ( -27.882 0.460 6.681) 28.675 12.851 ( 10.839 -1.342 3.095) 11.351 14.359 ( 12.702 -2.701 -5.198) 13.988 14.684 ( -1.517 0.781 2.638) 3.142 15.976 ( -2.326 0.864 -4.203) 4.880 16.108 ( 4.506 -0.180 4.342) 6.260 21.910 ( 1.286 -0.006 5.628) 5.773 21.991 ( 0.581 -0.593 -4.505) 4.581 22.301 ( 10.868 2.957 -1.301) 11.338 22.428 ( 11.437 -1.900 -1.143) 11.650 22.765 ( -1.407 6.546 5.733) 8.815 22.987 ( -3.749 4.793 -5.433) 8.157 23.956 ( -12.068 -4.486 7.400) 14.850 24.333 ( -16.439 -2.556 -5.892) 17.649 25.520 ( 17.047 -1.755 -0.985) 17.166 25.677 ( 19.524 -3.418 -0.844) 19.839 27.932 ( -3.112 0.126 0.174) 3.119 28.132 ( -5.114 -1.702 1.048) 5.490 ======================= Grid point 165 (75/117) ======================= q-point: (-0.20 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 3.573 4.159 -3.313) 6.406 1.950 ( 3.598 0.515 0.575) 3.680 2.390 ( -6.652 1.477 -3.940) 7.871 2.520 ( -8.270 2.782 -0.700) 8.754 2.576 ( 12.970 10.427 5.806) 17.625 2.797 ( -0.822 -3.877 -1.916) 4.402 2.961 ( 1.844 10.718 -1.317) 10.955 3.133 ( 0.624 6.177 -1.494) 6.385 3.207 ( 4.104 2.580 -2.627) 5.514 3.244 ( 2.292 1.433 8.456) 8.878 3.405 ( 3.508 0.633 -2.258) 4.219 3.417 ( -5.729 2.146 -0.363) 6.129 3.543 ( -2.788 -2.371 1.198) 3.851 3.706 ( -0.465 -1.800 1.990) 2.723 3.791 ( -3.128 -0.967 -4.533) 5.592 3.854 ( 1.780 -8.902 3.128) 9.602 3.997 ( 5.944 5.847 0.328) 8.344 4.137 ( 2.013 1.956 1.845) 3.359 4.376 ( 1.994 3.176 -1.748) 4.137 4.502 ( -0.828 -1.216 -3.203) 3.525 4.526 ( 1.293 5.544 2.584) 6.252 4.629 ( 1.018 7.120 -3.010) 7.797 4.751 ( -0.305 1.486 1.446) 2.096 4.909 ( -3.405 6.698 1.626) 7.688 5.116 ( 12.046 -2.968 1.301) 12.475 5.266 ( 7.485 -0.981 1.669) 7.731 5.304 ( 1.717 -1.542 1.472) 2.737 5.469 ( 5.198 -9.878 -0.335) 11.167 5.735 ( 11.135 -1.053 -0.240) 11.187 5.893 ( 9.914 1.664 -6.480) 11.960 6.231 ( -2.137 5.919 7.565) 9.840 6.418 ( 1.037 -1.100 -4.343) 4.598 7.222 ( 2.877 -5.869 -0.663) 6.570 7.347 ( 11.586 -2.836 -4.311) 12.684 7.411 ( 3.088 -1.121 2.236) 3.974 7.670 ( 9.057 -1.085 -1.218) 9.202 7.923 ( 33.453 -0.989 1.065) 33.485 8.173 ( 16.060 0.709 -2.630) 16.290 8.399 ( 21.181 -7.344 -0.163) 22.419 8.659 ( 4.981 0.434 -0.099) 5.001 8.774 ( 12.759 -3.106 -0.042) 13.132 8.931 ( 22.294 -1.221 -3.943) 22.673 9.463 ( -8.849 -1.120 5.333) 10.392 9.480 ( -9.632 -0.696 6.531) 11.659 9.569 ( -4.757 -2.894 -1.004) 5.658 10.075 ( -7.738 -0.168 2.359) 8.091 11.014 ( -5.420 -0.905 -3.516) 6.523 11.264 ( -7.281 -0.051 -2.167) 7.596 11.445 ( -13.867 0.554 5.310) 14.860 11.812 ( -1.756 4.045 0.992) 4.520 11.873 ( -13.556 1.216 -0.378) 13.616 12.068 ( 0.176 -1.229 -12.227) 12.290 12.327 ( -11.139 -2.302 6.300) 13.003 12.380 ( 4.844 -0.953 0.289) 4.945 12.473 ( 1.844 -4.514 0.951) 4.968 13.035 ( 8.062 3.148 -0.396) 8.664 14.592 ( 9.768 -1.481 -2.486) 10.188 14.718 ( 6.692 -3.753 2.390) 8.036 15.925 ( -2.857 1.031 -1.085) 3.225 16.154 ( 0.356 0.137 1.890) 1.928 21.929 ( 0.080 -0.738 4.113) 4.179 21.983 ( -0.834 -0.261 -2.187) 2.355 22.407 ( 4.593 3.930 -4.087) 7.297 22.581 ( 3.596 1.059 0.509) 3.783 22.710 ( 2.467 4.335 3.850) 6.301 22.885 ( -2.556 4.439 -2.556) 5.725 23.759 ( -14.060 -3.215 3.916) 14.945 24.055 ( -16.314 -2.477 -3.715) 16.913 25.900 ( 20.965 -4.452 -0.434) 21.437 26.084 ( 21.009 -3.497 -0.348) 21.301 27.893 ( -1.328 -0.959 -1.870) 2.486 28.046 ( -5.998 -1.122 2.430) 6.569 ======================= Grid point 166 (76/117) ======================= q-point: (-0.10 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 6.359 1.590 -1.734) 6.780 2.005 ( 4.094 5.821 -4.290) 8.310 2.223 ( -5.131 2.527 0.002) 5.720 2.400 ( -6.125 -3.264 1.741) 7.155 2.756 ( 11.821 4.983 2.897) 13.151 2.802 ( -2.786 -6.027 -2.030) 6.943 2.881 ( 3.056 14.341 -3.940) 15.183 3.106 ( 1.385 3.195 -1.703) 3.876 3.176 ( -3.069 6.665 3.928) 8.323 3.248 ( -5.748 -5.179 9.155) 11.986 3.311 ( 0.376 -2.267 -5.839) 6.274 3.476 ( 1.261 2.689 -4.217) 5.158 3.511 ( 0.250 -0.695 3.118) 3.204 3.697 ( -4.730 0.665 -5.572) 7.339 3.743 ( -0.244 -4.088 6.595) 7.763 3.998 ( 3.608 -4.837 4.557) 7.561 4.049 ( 5.022 1.811 1.415) 5.523 4.201 ( 4.778 0.835 4.590) 6.678 4.368 ( -0.631 1.061 -5.142) 5.288 4.472 ( 0.336 0.892 -2.238) 2.432 4.540 ( 2.257 1.935 -2.471) 3.865 4.567 ( -0.786 6.023 -1.709) 6.310 4.712 ( -3.127 -0.386 2.229) 3.860 4.788 ( -4.772 3.856 1.366) 6.285 5.289 ( 4.761 -3.393 0.413) 5.862 5.305 ( -1.604 -4.746 4.571) 6.782 5.456 ( 10.943 4.947 -2.776) 12.326 5.595 ( 0.672 -6.162 -0.995) 6.278 5.941 ( 10.669 -0.659 -3.850) 11.361 6.019 ( 5.590 -0.510 -1.874) 5.918 6.132 ( -2.181 7.189 3.689) 8.370 6.414 ( -2.612 -0.435 -5.609) 6.203 7.331 ( 3.218 -2.665 3.062) 5.180 7.406 ( -0.050 -4.314 5.226) 6.777 7.608 ( 9.563 -3.165 -5.110) 11.295 7.762 ( 1.698 1.115 -4.548) 4.981 8.484 ( 23.152 1.275 -0.315) 23.189 8.573 ( 23.684 0.771 3.167) 23.907 8.764 ( 16.967 -1.387 0.337) 17.027 8.784 ( 9.220 -2.447 -2.570) 9.879 8.982 ( 9.078 -4.509 6.743) 12.174 9.162 ( 1.904 1.031 -0.343) 2.192 9.383 ( -1.527 -2.599 3.177) 4.380 9.430 ( 3.865 0.450 -0.441) 3.916 9.657 ( 13.085 -1.579 -1.535) 13.269 9.890 ( -10.106 -0.868 -4.806) 11.224 10.636 ( -30.244 3.163 -5.255) 30.860 10.764 ( -41.083 1.083 2.516) 41.174 11.339 ( 2.336 -0.678 5.144) 5.690 11.773 ( 0.421 3.173 2.958) 4.358 11.851 ( 3.145 -0.271 2.972) 4.336 11.990 ( -6.604 2.024 0.483) 6.925 12.340 ( 3.582 -5.446 1.064) 6.604 12.431 ( 1.350 -2.828 5.023) 5.921 12.624 ( 7.613 -3.264 -10.544) 13.409 13.058 ( 0.150 5.923 -5.167) 7.862 14.748 ( 6.680 -1.977 3.913) 7.990 14.929 ( 9.489 -3.738 -2.000) 10.394 15.859 ( -2.841 0.973 1.336) 3.287 16.125 ( -2.849 0.471 -0.406) 2.916 21.906 ( -2.585 0.536 -3.516) 4.397 22.000 ( 1.666 -1.750 6.413) 6.853 22.422 ( 2.247 3.583 -6.315) 7.600 22.575 ( 0.133 2.130 0.413) 2.173 22.747 ( 1.341 0.269 3.832) 4.069 22.815 ( -1.027 3.626 0.525) 3.805 23.549 ( -10.782 -0.994 0.148) 10.829 23.839 ( -9.572 -1.909 -1.937) 9.951 26.270 ( 14.635 -4.473 0.044) 15.304 26.409 ( 11.988 -0.866 0.048) 12.019 27.908 ( 1.372 -2.329 -2.496) 3.679 27.949 ( -5.318 0.285 2.474) 5.872 ======================= Grid point 173 (77/117) ======================= q-point: ( 0.60 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -3.278 0.000 -0.226) 3.286 1.929 ( -3.657 0.000 -0.805) 3.744 2.459 ( 2.791 -0.000 1.026) 2.974 2.542 ( -2.204 0.000 -6.418) 6.786 2.676 ( 7.327 -0.000 4.707) 8.709 2.765 ( 0.098 -0.000 0.711) 0.718 3.068 ( 10.811 -0.000 4.190) 11.595 3.143 ( 1.528 -0.000 12.748) 12.839 3.172 ( 2.256 -0.000 3.341) 4.032 3.303 ( 8.412 -0.000 -4.085) 9.351 3.373 ( -2.930 0.000 -5.172) 5.944 3.393 ( 2.492 -0.000 -4.914) 5.509 3.619 ( -8.341 0.000 1.839) 8.542 3.665 ( 2.671 -0.000 -3.778) 4.627 3.771 ( -5.961 0.000 3.873) 7.109 3.910 ( -9.419 0.000 -2.324) 9.701 3.948 ( 3.792 -0.000 -10.636) 11.291 4.241 ( -3.813 0.000 -11.558) 12.171 4.323 ( 4.065 -0.000 7.511) 8.540 4.516 ( 0.744 -0.000 2.789) 2.886 4.528 ( 14.600 -0.000 10.630) 18.060 4.760 ( 7.736 -0.000 -2.390) 8.097 4.774 ( -0.480 0.000 -5.566) 5.587 4.992 ( 0.914 -0.000 1.704) 1.934 4.993 ( -8.510 0.000 6.349) 10.617 5.146 ( 7.090 -0.000 4.017) 8.149 5.201 ( 3.882 -0.000 -1.087) 4.031 5.232 ( 6.065 -0.000 0.497) 6.086 5.532 ( 6.070 -0.000 -0.122) 6.071 5.699 ( 13.374 -0.000 -10.163) 16.797 6.350 ( -2.645 0.000 11.403) 11.706 6.355 ( 4.642 -0.000 -5.145) 6.930 7.029 ( 17.907 -0.000 -6.428) 19.026 7.120 ( -0.453 0.000 -3.635) 3.663 7.242 ( 16.422 -0.000 2.615) 16.629 7.494 ( 8.405 -0.000 2.832) 8.869 7.545 ( 3.198 -0.000 0.980) 3.345 7.884 ( 21.274 -0.000 12.778) 24.817 7.960 ( 7.773 -0.000 -7.497) 10.800 8.425 ( 25.838 -0.000 -2.345) 25.945 8.479 ( 13.887 -0.000 -3.102) 14.229 8.604 ( 4.889 -0.000 -7.551) 8.995 9.535 ( -4.717 0.000 1.494) 4.948 9.680 ( -11.213 0.000 1.166) 11.274 9.772 ( -20.568 0.000 6.947) 21.710 10.132 ( 0.113 -0.000 8.661) 8.662 10.933 ( 6.004 -0.000 -2.160) 6.381 11.053 ( 17.097 -0.000 -2.485) 17.276 11.661 ( -6.696 0.000 0.568) 6.720 11.847 ( 15.020 -0.000 -11.101) 18.677 12.004 ( -3.498 0.000 -7.786) 8.536 12.091 ( 1.076 -0.000 -2.374) 2.606 12.431 ( 0.228 -0.000 10.078) 10.081 12.512 ( -28.668 0.000 -2.483) 28.776 12.718 ( -29.296 0.000 6.394) 29.986 12.837 ( 13.641 -0.000 5.033) 14.540 14.334 ( 12.992 -0.000 -4.835) 13.863 14.693 ( -2.408 0.000 2.042) 3.157 15.985 ( -2.508 0.000 -5.045) 5.634 16.106 ( 4.725 -0.000 5.127) 6.973 21.913 ( 1.014 -0.000 6.188) 6.271 21.979 ( 0.583 -0.000 -4.909) 4.943 22.346 ( 10.870 -0.000 -1.655) 10.996 22.396 ( 12.426 -0.000 -0.823) 12.453 22.829 ( -2.268 0.000 6.097) 6.505 23.036 ( -4.252 0.000 -6.605) 7.855 23.910 ( -11.356 0.000 8.738) 14.329 24.308 ( -16.027 0.000 -6.613) 17.337 25.506 ( 15.529 -0.000 -2.201) 15.684 25.643 ( 19.983 -0.000 0.419) 19.987 27.933 ( -3.332 0.000 0.080) 3.333 28.116 ( -4.736 0.000 1.093) 4.860 ======================= Grid point 175 (78/117) ======================= q-point: (-0.30 0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 2.978 3.608 -1.405) 4.885 1.922 ( 2.198 -2.281 1.160) 3.373 2.425 ( -5.451 3.647 -1.852) 6.815 2.508 ( -3.908 -3.742 -1.395) 5.587 2.716 ( -1.005 2.625 2.338) 3.656 2.763 ( 1.759 0.474 -0.098) 1.824 3.138 ( 0.614 3.687 7.973) 8.806 3.164 ( -0.178 3.702 -1.176) 3.888 3.238 ( 3.858 -0.842 0.807) 4.031 3.284 ( -1.922 2.379 -0.414) 3.087 3.410 ( 4.143 1.944 -2.673) 5.300 3.471 ( -3.215 0.971 1.448) 3.658 3.524 ( 4.113 -0.211 -2.413) 4.774 3.666 ( -5.033 -3.127 -0.924) 5.997 3.747 ( 2.677 -2.417 -3.890) 5.305 3.778 ( -3.769 0.076 0.374) 3.789 4.026 ( 4.401 -0.809 -7.097) 8.390 4.166 ( -2.380 1.384 -8.428) 8.866 4.392 ( 1.982 -1.560 5.578) 6.122 4.486 ( -2.748 0.342 2.887) 4.001 4.656 ( 1.278 6.648 3.886) 7.806 4.765 ( -0.674 8.081 1.290) 8.211 4.793 ( -0.712 1.120 2.160) 2.535 4.939 ( -4.436 -5.580 0.524) 7.148 5.053 ( 9.911 -2.323 6.858) 12.274 5.233 ( 0.448 0.219 2.648) 2.694 5.314 ( 10.484 -0.074 0.873) 10.521 5.353 ( 7.697 -1.899 -1.201) 8.018 5.715 ( 12.167 -0.856 -0.059) 12.197 5.920 ( 10.622 0.895 -7.838) 13.231 6.314 ( -1.123 2.667 5.955) 6.621 6.404 ( 1.232 -0.485 -5.261) 5.425 7.128 ( 1.976 -3.221 -1.509) 4.069 7.306 ( 13.327 -1.296 -3.616) 13.869 7.396 ( -0.282 -0.495 2.380) 2.448 7.649 ( 8.387 -0.809 -0.591) 8.447 7.913 ( 35.821 -0.173 0.002) 35.821 8.184 ( 17.595 0.420 -3.214) 17.891 8.299 ( 23.258 -2.969 1.568) 23.499 8.666 ( 3.356 0.190 -0.404) 3.386 8.732 ( 12.875 -1.205 -0.998) 12.969 8.906 ( 26.120 -0.991 -7.121) 27.091 9.450 ( -13.546 -0.290 10.513) 17.149 9.480 ( -2.691 0.300 2.405) 3.621 9.532 ( -6.442 -1.106 1.343) 6.673 10.074 ( -7.098 -0.002 3.256) 7.809 11.003 ( -1.930 -0.212 -4.369) 4.781 11.257 ( -2.446 -0.496 -0.878) 2.645 11.457 ( -14.830 0.480 5.526) 15.833 11.835 ( -18.082 -0.631 -1.655) 18.169 11.944 ( -1.349 5.564 -1.477) 5.913 12.047 ( 4.641 -2.082 -12.525) 13.519 12.287 ( -16.986 -1.006 6.908) 18.364 12.337 ( 7.186 -2.906 -10.681) 13.197 12.426 ( -1.825 -0.773 12.774) 12.926 13.075 ( 10.954 1.147 1.329) 11.094 14.577 ( 13.563 -0.332 -5.517) 14.646 14.671 ( 1.767 -1.270 4.613) 5.101 15.942 ( -2.437 0.566 -1.894) 3.138 16.154 ( 0.420 -0.014 2.726) 2.758 21.924 ( 0.178 0.120 6.687) 6.691 21.965 ( -1.935 -1.089 -4.985) 5.457 22.472 ( 4.853 2.614 -4.365) 7.031 22.576 ( 5.612 -0.905 1.151) 5.800 22.781 ( -1.032 2.435 5.139) 5.779 22.954 ( -3.280 2.337 -4.618) 6.127 23.711 ( -11.806 -1.598 6.217) 13.438 24.019 ( -16.115 -1.185 -5.485) 17.064 25.842 ( 20.605 -1.639 -1.342) 20.714 26.038 ( 22.448 -1.343 0.429) 22.493 27.883 ( -2.115 -0.224 -2.004) 2.922 28.030 ( -5.098 -0.500 2.814) 5.844 ======================= Grid point 176 (79/117) ======================= q-point: (-0.20 0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 5.667 4.520 -0.354) 7.257 2.035 ( 6.593 -2.792 0.587) 7.184 2.269 ( -7.528 3.224 -1.726) 8.369 2.394 ( -7.739 2.476 0.588) 8.146 2.697 ( -3.946 -5.564 0.903) 6.881 2.801 ( 2.172 -1.356 1.552) 2.994 3.076 ( -7.486 -2.827 2.973) 8.536 3.130 ( 5.129 10.024 -0.812) 11.290 3.221 ( -3.108 2.804 1.730) 4.530 3.275 ( -3.404 -1.238 -2.965) 4.681 3.299 ( -1.525 5.339 3.000) 6.311 3.487 ( -0.249 0.596 2.209) 2.301 3.561 ( 3.375 4.948 -6.638) 8.941 3.673 ( 0.881 0.790 -5.115) 5.250 3.766 ( -0.552 -1.836 -0.089) 1.919 3.852 ( 6.695 -6.839 1.192) 9.645 4.080 ( 0.710 -0.611 -2.194) 2.386 4.164 ( 2.136 -1.896 -4.769) 5.559 4.393 ( -2.408 0.599 0.717) 2.583 4.468 ( -0.905 -2.929 1.216) 3.298 4.565 ( -2.491 4.003 4.512) 6.526 4.673 ( -4.433 2.800 2.665) 5.882 4.763 ( 0.294 6.227 -1.049) 6.321 4.847 ( -6.180 1.517 3.092) 7.075 5.207 ( 1.580 -4.588 4.203) 6.420 5.236 ( -0.301 -2.811 3.054) 4.162 5.499 ( 5.937 -3.286 2.990) 7.415 5.540 ( 13.410 3.365 -4.376) 14.501 5.929 ( 11.232 -0.537 -3.773) 11.861 6.023 ( 2.712 0.652 -3.914) 4.807 6.248 ( -2.734 4.887 3.242) 6.470 6.408 ( -1.427 -0.339 -5.506) 5.698 7.244 ( 5.807 -5.218 0.784) 7.846 7.364 ( -1.987 -0.913 4.858) 5.327 7.547 ( 10.429 -2.951 -2.824) 11.200 7.770 ( 4.124 -0.070 -4.352) 5.996 8.513 ( 22.458 1.809 0.142) 22.531 8.574 ( 24.295 -0.751 1.238) 24.339 8.721 ( 20.391 -1.904 -5.649) 21.245 8.752 ( 12.371 -1.643 -1.437) 12.562 8.920 ( 4.836 -2.139 8.296) 9.838 9.193 ( 2.578 1.832 -1.762) 3.620 9.344 ( 1.997 -1.604 6.937) 7.395 9.441 ( 1.333 0.685 0.433) 1.560 9.625 ( 17.993 -1.526 -1.768) 18.144 9.888 ( -12.402 0.249 -3.057) 12.775 10.685 ( -28.955 2.029 -5.936) 29.627 10.778 ( -41.679 0.449 2.559) 41.760 11.343 ( 2.467 0.844 7.292) 7.744 11.800 ( 3.810 -1.121 -2.982) 4.967 11.910 ( 3.206 6.993 2.204) 8.002 12.034 ( -5.845 2.670 -0.251) 6.431 12.214 ( 2.892 -7.322 1.874) 8.092 12.380 ( -2.667 -2.753 10.799) 11.460 12.547 ( 8.725 -4.452 -12.571) 15.936 13.155 ( 1.051 4.135 -4.843) 6.455 14.731 ( 7.080 0.036 4.952) 8.640 14.861 ( 11.863 -3.310 -3.328) 12.758 15.884 ( -2.618 1.467 1.020) 3.169 16.129 ( -2.944 -0.038 0.070) 2.945 21.905 ( -2.459 -0.107 -3.331) 4.142 21.960 ( -0.042 -2.413 5.663) 6.156 22.487 ( 1.065 3.411 -5.921) 6.915 22.605 ( -0.842 0.451 1.004) 1.386 22.761 ( -0.844 1.357 5.274) 5.510 22.879 ( -2.440 2.799 -1.617) 4.050 23.544 ( -7.372 0.344 2.169) 7.692 23.797 ( -9.412 -2.288 -3.723) 10.378 26.200 ( 15.931 -2.866 -1.162) 16.228 26.394 ( 15.039 -0.657 1.046) 15.090 27.876 ( 1.063 -1.155 -3.416) 3.759 27.952 ( -3.987 0.066 3.683) 5.428 ======================= Grid point 177 (80/117) ======================= q-point: (-0.10 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -4.457 3.344 -0.295) 5.579 2.121 ( 2.223 5.009 -4.543) 7.118 2.201 ( 2.874 -2.381 3.032) 4.808 2.243 ( -8.952 -1.874 0.055) 9.146 2.636 ( -7.774 -3.615 -1.547) 8.712 2.845 ( 0.508 -1.200 -0.311) 1.339 2.978 ( -10.156 -14.106 11.992) 21.117 3.111 ( -1.638 0.120 -2.166) 2.718 3.171 ( 0.432 4.191 1.764) 4.567 3.214 ( 6.477 11.949 -1.412) 13.664 3.301 ( -0.161 -0.315 -3.468) 3.486 3.461 ( -2.428 -2.559 1.010) 3.669 3.558 ( 2.385 7.318 -3.550) 8.476 3.667 ( 0.270 3.459 -6.306) 7.198 3.743 ( -0.461 -0.495 4.098) 4.153 4.037 ( 4.060 -2.392 2.785) 5.474 4.100 ( 2.087 -2.576 2.071) 3.910 4.211 ( -1.939 -4.764 0.004) 5.143 4.346 ( -1.942 -1.177 -6.483) 6.869 4.467 ( -0.609 -1.258 0.625) 1.531 4.494 ( -5.703 0.300 3.458) 6.676 4.599 ( -3.347 -2.101 -0.500) 3.983 4.698 ( -1.504 8.100 -2.517) 8.614 4.734 ( -1.032 1.933 4.213) 4.749 5.233 ( -1.798 -5.257 0.618) 5.590 5.284 ( -0.153 -5.034 2.349) 5.558 5.581 ( 1.234 0.399 2.772) 3.060 5.670 ( 6.249 5.501 -3.713) 9.116 6.022 ( -0.471 -1.891 0.805) 2.109 6.128 ( -2.144 3.317 -0.376) 3.967 6.146 ( 7.047 1.332 -3.845) 8.137 6.340 ( -5.592 0.809 -7.805) 9.636 7.341 ( -3.158 -3.614 8.115) 9.428 7.394 ( 6.072 -1.919 1.514) 6.545 7.714 ( 5.495 -2.404 -2.879) 6.653 7.782 ( -1.100 2.530 -6.077) 6.674 8.611 ( -4.019 -1.070 4.860) 6.396 8.763 ( -3.151 3.633 8.539) 9.800 8.974 ( -0.510 -0.186 -1.129) 1.253 9.054 ( 4.834 -5.590 -2.527) 7.811 9.085 ( 8.528 -1.018 1.355) 8.695 9.142 ( 10.032 1.201 -0.645) 10.125 9.321 ( -4.254 3.096 2.090) 5.661 9.545 ( -13.897 -0.019 -8.559) 16.321 9.848 ( 37.641 -1.774 0.668) 37.689 9.976 ( -27.165 2.112 2.352) 27.349 10.094 ( -13.144 0.198 -2.535) 13.388 10.282 ( 9.958 1.111 -3.987) 10.784 11.411 ( 4.605 0.647 4.431) 6.423 11.810 ( -0.445 2.974 -1.513) 3.367 11.892 ( -5.233 1.176 4.696) 7.129 11.903 ( -2.036 5.959 6.941) 9.372 12.358 ( 4.669 -7.448 6.440) 10.897 12.398 ( -0.421 -4.986 0.150) 5.006 12.705 ( 5.055 -3.527 -11.439) 12.994 13.070 ( -4.228 5.435 -7.129) 9.911 14.815 ( 0.482 0.775 3.880) 3.986 15.040 ( 5.075 -0.939 -1.821) 5.472 15.858 ( 2.072 1.131 2.986) 3.806 16.074 ( -2.666 -0.019 -1.897) 3.272 21.856 ( -2.799 -0.318 -3.843) 4.765 22.003 ( 1.427 -3.867 6.434) 7.641 22.463 ( -0.204 2.435 -6.136) 6.605 22.594 ( 0.432 0.639 -1.187) 1.416 22.702 ( -5.333 -0.914 6.120) 8.169 22.804 ( -4.355 1.205 1.055) 4.640 23.480 ( 2.846 3.004 -1.127) 4.289 23.751 ( 1.990 -1.872 -1.792) 3.267 26.406 ( 3.769 -2.143 -0.515) 4.366 26.541 ( 1.923 1.935 0.783) 2.839 27.893 ( -1.982 1.267 2.447) 3.394 27.939 ( 4.351 -1.311 -2.555) 5.213 ======================= Grid point 185 (81/117) ======================= q-point: (-0.30 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 6.592 -0.000 0.351) 6.602 1.979 ( 5.608 -0.000 2.347) 6.079 2.323 ( -8.130 0.000 -0.447) 8.143 2.410 ( -4.964 0.000 1.869) 5.304 2.628 ( -5.354 0.000 3.129) 6.201 2.768 ( -3.474 0.000 4.070) 5.351 3.070 ( -6.664 0.000 -5.911) 8.908 3.211 ( -7.139 0.000 1.878) 7.382 3.256 ( 0.262 -0.000 -1.142) 1.172 3.279 ( 0.083 -0.000 -1.346) 1.349 3.363 ( 1.605 -0.000 0.034) 1.605 3.520 ( -3.296 0.000 -1.004) 3.446 3.605 ( 3.749 -0.000 -2.019) 4.258 3.645 ( 8.845 -0.000 -0.874) 8.888 3.725 ( -0.689 0.000 0.422) 0.808 3.806 ( 4.718 -0.000 -4.863) 6.775 4.067 ( 0.376 -0.000 -10.897) 10.903 4.153 ( 1.344 -0.000 -4.695) 4.884 4.408 ( 0.194 -0.000 5.947) 5.950 4.412 ( -5.128 0.000 4.667) 6.934 4.650 ( -6.231 0.000 5.801) 8.513 4.662 ( -7.926 0.000 5.920) 9.892 4.848 ( 2.432 -0.000 -5.418) 5.939 4.848 ( -3.975 0.000 1.040) 4.108 5.150 ( 2.107 -0.000 8.228) 8.493 5.215 ( -2.071 0.000 2.418) 3.184 5.471 ( 7.996 -0.000 5.013) 9.437 5.572 ( 14.038 -0.000 -4.834) 14.847 5.924 ( 11.516 -0.000 -3.644) 12.079 6.031 ( 1.539 -0.000 -4.736) 4.980 6.295 ( -2.923 0.000 3.049) 4.224 6.403 ( -1.097 0.000 -5.629) 5.735 7.190 ( 6.216 -0.000 0.863) 6.276 7.357 ( -2.287 0.000 3.834) 4.464 7.517 ( 10.971 -0.000 -2.059) 11.163 7.768 ( 5.179 -0.000 -4.330) 6.751 8.543 ( 23.446 -0.000 2.488) 23.578 8.553 ( 22.275 -0.000 -1.426) 22.321 8.704 ( 23.554 -0.000 -7.042) 24.584 8.736 ( 11.725 -0.000 -0.855) 11.756 8.901 ( 4.303 -0.000 7.762) 8.875 9.212 ( 2.632 -0.000 -4.256) 5.004 9.328 ( 3.848 -0.000 10.003) 10.718 9.449 ( -0.260 0.000 0.960) 0.995 9.610 ( 19.609 -0.000 -1.355) 19.656 9.891 ( -12.802 0.000 -2.581) 13.060 10.705 ( -28.345 0.000 -6.299) 29.037 10.782 ( -42.050 0.000 2.754) 42.140 11.355 ( 2.741 -0.000 8.178) 8.625 11.780 ( 6.587 -0.000 -5.012) 8.277 12.042 ( -8.521 0.000 10.462) 13.493 12.066 ( 2.093 -0.000 -11.709) 11.894 12.086 ( 6.513 -0.000 1.789) 6.754 12.353 ( -6.227 0.000 16.770) 17.889 12.496 ( 9.887 -0.000 -14.520) 17.566 13.195 ( 1.536 -0.000 -4.800) 5.040 14.737 ( 6.271 -0.000 6.577) 9.087 14.825 ( 13.444 -0.000 -5.117) 14.385 15.900 ( -2.276 0.000 0.760) 2.399 16.128 ( -3.117 0.000 0.398) 3.142 21.908 ( -3.219 0.000 -6.388) 7.154 21.930 ( 0.067 -0.000 8.540) 8.540 22.527 ( 1.013 -0.000 -6.537) 6.615 22.600 ( -1.431 0.000 2.176) 2.604 22.779 ( -1.708 0.000 6.105) 6.340 22.906 ( -3.616 0.000 -3.037) 4.723 23.550 ( -4.945 0.000 3.802) 6.238 23.773 ( -9.919 0.000 -5.149) 11.176 26.173 ( 16.386 -0.000 -1.625) 16.466 26.387 ( 16.188 -0.000 1.406) 16.249 27.866 ( 0.880 -0.000 -3.787) 3.887 27.953 ( -3.456 0.000 4.172) 5.417 ======================= Grid point 186 (82/117) ======================= q-point: (-0.20 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -3.423 5.717 3.018) 7.315 2.098 ( 3.437 -3.798 0.389) 5.137 2.195 ( -4.303 0.737 0.444) 4.389 2.291 ( -7.486 2.795 -0.073) 7.991 2.578 ( -3.911 -3.275 3.508) 6.191 2.682 ( -8.235 -6.823 14.299) 17.856 2.912 ( -9.208 0.774 -10.805) 14.218 3.072 ( -6.066 -2.393 -0.923) 6.586 3.228 ( -0.893 2.506 0.219) 2.669 3.284 ( 0.257 -1.108 -0.172) 1.150 3.413 ( 4.502 6.654 -1.088) 8.108 3.463 ( -0.449 1.202 -2.048) 2.417 3.640 ( 0.994 0.265 -1.911) 2.171 3.721 ( 1.322 1.680 -3.110) 3.773 3.754 ( 0.580 1.488 -2.674) 3.114 3.968 ( 10.446 -2.722 -0.723) 10.819 4.056 ( -1.401 -1.065 -8.494) 8.674 4.173 ( -0.348 -0.140 -1.541) 1.586 4.321 ( -4.655 -0.708 1.441) 4.924 4.417 ( -1.488 -4.140 2.737) 5.182 4.494 ( -8.153 0.811 5.205) 9.706 4.546 ( -7.330 -2.185 2.508) 8.049 4.779 ( -3.138 1.408 5.136) 6.181 4.852 ( 1.776 6.491 -4.991) 8.379 5.162 ( -1.875 -1.978 4.532) 5.289 5.200 ( -0.634 -3.517 2.041) 4.115 5.587 ( 4.261 0.203 5.270) 6.780 5.742 ( 6.063 2.071 -4.249) 7.688 6.003 ( -3.166 -0.369 0.535) 3.232 6.125 ( 10.595 -0.452 -6.632) 12.507 6.212 ( -5.128 2.342 0.909) 5.711 6.348 ( -5.010 0.095 -7.830) 9.296 7.274 ( -1.444 -2.430 7.925) 8.414 7.376 ( 6.467 -0.402 0.133) 6.481 7.676 ( 5.912 -1.301 -0.813) 6.108 7.812 ( 0.361 0.759 -6.414) 6.469 8.598 ( -5.072 -0.333 4.540) 6.816 8.829 ( -0.157 3.822 6.865) 7.859 8.911 ( 1.894 -5.143 4.820) 7.299 9.009 ( -4.263 -0.096 -8.160) 9.207 9.074 ( 14.482 -0.309 2.035) 14.627 9.171 ( 12.958 1.079 -0.499) 13.012 9.364 ( -3.737 1.315 1.660) 4.296 9.546 ( -18.086 0.126 -7.243) 19.483 9.823 ( 38.525 -0.788 0.286) 38.534 10.018 ( -31.061 2.107 3.318) 31.309 10.079 ( 0.783 -1.445 -1.628) 2.313 10.301 ( 2.415 0.669 -4.491) 5.143 11.433 ( 5.043 1.159 6.410) 8.238 11.843 ( -0.595 1.111 -6.213) 6.339 11.898 ( -6.277 -0.437 4.241) 7.588 12.059 ( 0.666 9.104 0.007) 9.128 12.251 ( -1.208 -3.889 11.480) 12.181 12.277 ( 4.028 -6.936 6.337) 10.222 12.645 ( 5.854 -2.189 -13.159) 14.568 13.144 ( -4.711 2.274 -7.727) 9.331 14.828 ( 2.305 0.504 4.533) 5.110 15.023 ( 7.588 -0.654 -2.689) 8.076 15.884 ( 1.648 1.135 3.236) 3.805 16.068 ( -3.056 -0.394 -1.940) 3.641 21.849 ( -3.136 -0.247 -5.059) 5.957 21.944 ( 0.379 -1.997 7.002) 7.291 22.516 ( -0.397 2.981 -5.031) 5.861 22.580 ( -1.007 -1.979 -0.397) 2.255 22.701 ( -6.756 0.389 7.346) 9.988 22.818 ( -6.131 0.303 -1.562) 6.334 23.544 ( 5.198 3.006 0.415) 6.019 23.708 ( 2.203 -2.258 -3.113) 4.432 26.376 ( 5.433 -0.879 -1.528) 5.712 26.566 ( 3.710 0.700 1.674) 4.130 27.909 ( -1.152 0.546 3.326) 3.562 27.922 ( 4.989 -0.530 -3.380) 6.050 ======================= Grid point 187 (83/117) ======================= q-point: (-0.10 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -10.400 5.083 6.132) 13.100 1.999 ( -16.658 0.093 -11.468) 20.224 2.113 ( -6.403 -2.561 0.989) 6.967 2.242 ( 1.286 -2.314 6.456) 6.978 2.488 ( -5.589 -0.192 1.003) 5.682 2.638 ( -10.558 -16.042 14.987) 24.360 2.814 ( -3.550 -5.547 -6.905) 9.542 3.084 ( 4.371 -2.109 0.057) 4.853 3.204 ( 0.711 2.613 0.768) 2.815 3.277 ( -1.566 1.849 -4.795) 5.372 3.379 ( -1.375 2.138 -1.560) 2.982 3.488 ( 4.927 6.357 -0.613) 8.066 3.637 ( -2.331 7.318 -0.915) 7.734 3.673 ( -3.387 -1.055 0.627) 3.602 3.708 ( -3.052 -0.019 -0.794) 3.154 4.028 ( -2.739 -2.737 -2.919) 4.849 4.092 ( -1.211 -2.387 3.369) 4.303 4.136 ( -2.696 0.176 -2.620) 3.764 4.271 ( -3.244 -2.795 -5.589) 7.040 4.415 ( -2.302 -2.435 -0.188) 3.356 4.434 ( -0.903 -3.746 2.959) 4.858 4.462 ( -2.985 -2.671 0.306) 4.018 4.740 ( 0.018 0.519 3.112) 3.155 4.802 ( 1.329 9.224 -3.097) 9.821 5.141 ( -3.673 -3.318 1.892) 5.299 5.237 ( 0.047 -4.340 0.137) 4.342 5.596 ( -1.961 2.405 4.093) 5.136 5.776 ( 1.575 2.886 -3.352) 4.695 5.969 ( -2.332 -2.472 7.928) 8.625 6.047 ( -9.812 4.281 -2.007) 10.892 6.170 ( -8.252 0.918 -10.477) 13.368 6.361 ( 9.690 -0.336 -5.194) 10.999 7.228 ( -6.162 -3.127 7.985) 10.560 7.512 ( 7.116 0.510 0.381) 7.145 7.719 ( -4.050 -1.349 -1.621) 4.566 7.782 ( -0.927 1.989 -6.933) 7.272 8.411 ( -18.575 -0.805 0.358) 18.596 8.555 ( -28.351 -0.193 2.872) 28.497 8.724 ( -8.291 3.269 11.080) 14.220 8.905 ( -17.027 -2.404 -3.468) 17.542 9.076 ( -20.269 2.125 5.335) 21.067 9.270 ( 7.225 0.119 4.994) 8.784 9.316 ( -11.216 -2.729 -7.727) 13.891 9.474 ( 14.644 2.173 -3.382) 15.186 9.673 ( 2.515 4.390 4.927) 7.062 9.960 ( 0.531 1.185 -7.042) 7.161 10.553 ( 39.572 -1.092 -3.665) 39.757 10.783 ( 31.328 -0.708 2.382) 31.427 11.497 ( 3.203 1.667 2.686) 4.500 11.785 ( -6.917 1.386 -4.754) 8.507 11.813 ( -0.104 -0.402 0.939) 1.026 11.912 ( -4.883 7.529 10.531) 13.836 12.289 ( -2.294 -8.214 -1.068) 8.595 12.428 ( 5.412 -2.187 8.019) 9.919 12.722 ( 0.556 -2.766 -9.739) 10.139 13.023 ( -4.619 3.579 -7.277) 9.333 14.777 ( -6.277 2.992 2.107) 7.266 15.073 ( -1.729 1.172 -0.394) 2.126 15.943 ( 5.438 0.954 3.506) 6.540 16.043 ( -0.279 -0.624 -2.578) 2.667 21.804 ( -2.237 -0.848 -3.082) 3.902 21.991 ( 1.470 -4.266 5.137) 6.837 22.468 ( -1.838 2.958 -5.262) 6.310 22.565 ( -6.773 -2.282 5.398) 8.956 22.595 ( -1.823 -0.245 -0.979) 2.084 22.707 ( -5.111 -1.312 0.272) 5.284 23.674 ( 13.615 4.795 -0.806) 14.457 23.864 ( 12.105 -1.851 -0.806) 12.272 26.361 ( -7.773 0.293 0.305) 7.784 26.506 ( -8.279 2.950 -0.141) 8.790 27.897 ( 0.954 1.109 1.282) 1.944 28.037 ( 7.130 0.369 -1.888) 7.385 ======================= Grid point 196 (84/117) ======================= q-point: (-0.20 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -12.304 0.000 9.293) 15.419 1.980 ( -16.280 0.000 -13.033) 20.854 2.102 ( -6.950 0.000 1.718) 7.159 2.213 ( -1.674 0.000 16.047) 16.134 2.479 ( -6.629 0.000 -0.084) 6.630 2.498 ( -9.564 0.000 9.654) 13.589 2.735 ( -7.996 0.000 -11.537) 14.037 3.071 ( 6.724 -0.000 1.088) 6.811 3.227 ( -1.048 0.000 1.168) 1.569 3.284 ( 0.540 -0.000 0.613) 0.817 3.414 ( -2.074 0.000 -3.571) 4.129 3.553 ( 3.936 -0.000 -2.191) 4.505 3.628 ( -1.101 0.000 -0.203) 1.120 3.696 ( -7.124 0.000 1.730) 7.332 3.767 ( -0.963 0.000 -5.097) 5.187 4.004 ( -3.605 0.000 -8.834) 9.541 4.068 ( -0.486 0.000 0.966) 1.081 4.139 ( -3.773 0.000 -4.629) 5.972 4.241 ( -4.046 0.000 -1.634) 4.363 4.356 ( -1.870 0.000 1.657) 2.499 4.407 ( 1.922 -0.000 2.962) 3.531 4.440 ( -2.967 0.000 1.507) 3.328 4.746 ( -1.880 0.000 6.584) 6.847 4.913 ( 1.467 -0.000 -7.377) 7.521 5.113 ( -3.293 0.000 8.037) 8.686 5.180 ( 0.887 -0.000 -2.094) 2.274 5.621 ( -1.455 0.000 4.433) 4.666 5.800 ( 0.402 -0.000 -3.490) 3.513 5.945 ( -2.241 0.000 8.501) 8.791 6.101 ( -8.417 0.000 -1.219) 8.505 6.166 ( -9.234 0.000 -13.055) 15.991 6.357 ( 9.750 -0.000 -5.264) 11.080 7.195 ( -5.855 0.000 8.673) 10.464 7.516 ( 7.970 -0.000 -0.774) 8.007 7.703 ( -3.415 0.000 0.516) 3.454 7.802 ( -1.223 0.000 -7.989) 8.082 8.403 ( -18.585 0.000 0.531) 18.593 8.553 ( -28.814 0.000 2.881) 28.958 8.758 ( -8.419 0.000 14.429) 16.706 8.877 ( -14.384 0.000 -5.108) 15.264 9.101 ( -21.776 0.000 6.093) 22.612 9.276 ( 9.340 -0.000 4.715) 10.463 9.281 ( -12.221 0.000 -8.839) 15.083 9.497 ( 15.612 -0.000 -4.463) 16.238 9.720 ( 2.662 -0.000 5.729) 6.318 9.968 ( -0.416 0.000 -6.672) 6.685 10.542 ( 40.030 -0.000 -3.694) 40.200 10.776 ( 31.038 -0.000 2.530) 31.141 11.520 ( 3.150 -0.000 4.773) 5.719 11.781 ( -6.236 0.000 -10.821) 12.489 11.810 ( -1.515 0.000 2.026) 2.530 12.039 ( -10.063 0.000 15.769) 18.707 12.170 ( 1.270 -0.000 -5.642) 5.783 12.404 ( 7.556 -0.000 11.043) 13.381 12.692 ( 0.864 -0.000 -10.868) 10.902 13.058 ( -4.907 0.000 -7.828) 9.239 14.806 ( -4.955 0.000 1.881) 5.300 15.083 ( -0.788 0.000 -0.431) 0.898 15.958 ( 5.252 -0.000 4.557) 6.953 16.033 ( -0.461 0.000 -3.520) 3.550 21.796 ( -2.476 0.000 -3.729) 4.476 21.949 ( 1.124 -0.000 5.181) 5.302 22.521 ( -5.367 0.000 4.734) 7.156 22.528 ( -1.286 0.000 -6.799) 6.920 22.585 ( -3.631 0.000 3.471) 5.023 22.694 ( -6.878 0.000 -1.323) 7.004 23.736 ( 13.619 -0.000 -0.624) 13.633 23.832 ( 12.747 -0.000 -0.952) 12.783 26.363 ( -6.587 0.000 -0.098) 6.588 26.534 ( -7.481 0.000 0.210) 7.484 27.908 ( 0.768 -0.000 1.799) 1.956 28.041 ( 8.104 -0.000 -2.507) 8.483 ======================= Grid point 197 (85/117) ======================= q-point: (-0.10 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -15.035 1.965 13.528) 20.320 1.626 ( -22.185 -3.641 -8.658) 24.091 1.942 ( -9.644 1.619 3.807) 10.494 2.187 ( -4.319 -2.310 14.114) 14.940 2.322 ( -11.594 -9.193 -5.285) 15.712 2.401 ( -5.017 -5.097 -5.904) 9.274 2.659 ( -7.638 -6.149 5.632) 11.308 3.175 ( 0.414 1.893 3.255) 3.788 3.211 ( 0.175 -1.291 1.366) 1.888 3.270 ( -1.773 2.438 -1.282) 3.275 3.326 ( -8.593 1.702 1.138) 8.834 3.509 ( -7.465 0.343 -3.057) 8.074 3.565 ( -1.457 2.956 -3.407) 4.740 3.636 ( 1.046 -3.966 -0.844) 4.187 3.686 ( -3.535 8.397 -0.453) 9.121 3.953 ( -2.596 -3.315 -12.676) 13.357 4.012 ( -5.002 -2.107 3.080) 6.241 4.057 ( -5.130 -2.182 -5.362) 7.734 4.192 ( -2.262 -2.396 -4.251) 5.378 4.348 ( 0.688 0.889 -1.024) 1.521 4.458 ( 3.539 -0.808 3.814) 5.265 4.512 ( 6.955 0.380 -0.550) 6.987 4.712 ( -2.849 -1.344 4.079) 5.154 4.894 ( 0.442 6.743 -5.492) 8.708 5.058 ( -3.434 -0.969 5.002) 6.144 5.214 ( 0.893 -2.277 -3.514) 4.281 5.545 ( -5.843 1.300 5.400) 8.061 5.765 ( -6.292 0.883 -3.987) 7.501 5.871 ( -10.713 1.723 -3.995) 11.562 5.921 ( -6.617 3.441 -1.312) 7.572 6.012 ( -4.276 -3.793 0.446) 5.734 6.542 ( 10.497 0.094 -0.209) 10.499 7.085 ( -7.522 -1.563 4.585) 8.947 7.522 ( -17.294 -0.928 -1.988) 17.433 7.567 ( -7.664 0.287 -0.980) 7.732 7.742 ( -5.125 1.516 -7.085) 8.874 8.003 ( -17.540 -0.263 4.431) 18.093 8.164 ( -11.962 -0.443 0.352) 11.975 8.511 ( -25.122 0.068 3.127) 25.316 8.561 ( -11.291 0.856 9.324) 14.668 8.878 ( -6.498 2.903 1.445) 7.262 9.015 ( -17.832 -2.344 0.013) 17.986 9.443 ( 10.696 0.814 4.044) 11.463 9.690 ( 8.673 1.654 -2.522) 9.182 9.873 ( 12.603 1.969 7.854) 14.980 10.103 ( 12.474 0.293 -9.556) 15.717 11.137 ( 23.630 1.652 -4.263) 24.068 11.212 ( 15.195 -1.202 3.225) 15.580 11.511 ( -3.129 0.761 5.172) 6.092 11.669 ( -3.823 -1.672 -11.124) 11.881 11.837 ( -2.236 2.966 4.872) 6.127 11.983 ( 15.204 0.663 2.145) 15.369 12.152 ( -6.842 -4.799 -4.469) 9.477 12.511 ( 4.003 0.850 8.951) 9.842 12.671 ( -3.473 -1.951 -5.608) 6.879 13.010 ( 1.945 1.933 -5.345) 6.007 14.674 ( -7.955 2.895 -0.196) 8.468 15.002 ( -7.274 1.145 1.220) 7.464 16.026 ( 0.933 0.687 -2.031) 2.338 16.049 ( 2.502 -0.584 2.827) 3.820 21.762 ( -1.543 -0.751 -2.074) 2.692 21.985 ( 1.080 -2.537 4.188) 5.014 22.394 ( -7.537 -0.710 7.359) 10.557 22.457 ( -5.169 1.486 -6.949) 8.787 22.570 ( -0.345 1.105 -1.505) 1.899 22.631 ( -1.234 -3.342 -1.195) 3.758 24.001 ( 18.085 3.642 -0.891) 18.469 24.113 ( 16.746 -1.408 1.342) 16.858 26.144 ( -17.342 1.374 2.466) 17.570 26.313 ( -15.994 2.197 -3.164) 16.452 27.947 ( 4.294 0.289 -2.235) 4.849 28.186 ( 8.626 1.438 0.551) 8.762 ======================= Grid point 207 (86/117) ======================= q-point: (-0.10 -0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -23.039 0.000 1.183) 23.070 1.217 ( -19.440 0.000 21.983) 29.346 1.863 ( -1.194 0.000 3.948) 4.124 2.019 ( -13.510 0.000 -19.161) 23.445 2.101 ( -9.292 0.000 24.212) 25.934 2.233 ( -11.859 0.000 -13.377) 17.877 2.323 ( -23.719 0.000 15.780) 28.488 3.129 ( -2.657 0.000 3.552) 4.435 3.163 ( -9.418 0.000 2.703) 9.798 3.195 ( -4.552 0.000 -2.874) 5.384 3.212 ( -3.027 0.000 0.573) 3.081 3.457 ( -1.195 0.000 -2.340) 2.628 3.562 ( -1.409 0.000 -10.149) 10.246 3.645 ( -5.964 0.000 2.839) 6.605 3.665 ( 4.338 -0.000 -2.219) 4.873 3.896 ( 0.077 -0.000 -21.231) 21.231 3.924 ( -3.529 0.000 3.526) 4.988 3.954 ( -2.766 0.000 -6.152) 6.745 4.196 ( 3.200 -0.000 -1.931) 3.738 4.380 ( 1.041 -0.000 0.535) 1.170 4.558 ( 6.597 -0.000 4.785) 8.150 4.598 ( -1.636 0.000 -3.817) 4.153 4.670 ( 3.107 -0.000 1.688) 3.536 4.917 ( -1.529 0.000 -9.079) 9.207 5.008 ( -2.005 0.000 6.861) 7.148 5.196 ( -3.300 0.000 -7.333) 8.041 5.438 ( -6.283 0.000 9.634) 11.502 5.512 ( -22.543 0.000 -16.621) 28.007 5.660 ( -11.759 0.000 -2.952) 12.124 5.843 ( -1.481 0.000 -6.309) 6.480 6.045 ( 7.096 -0.000 12.879) 14.705 6.689 ( 0.562 -0.000 11.836) 11.849 6.960 ( -1.580 0.000 -7.711) 7.871 7.201 ( -14.948 0.000 -1.895) 15.068 7.259 ( -15.477 0.000 6.724) 16.874 7.642 ( -6.576 0.000 -8.865) 11.038 7.934 ( 0.957 -0.000 4.548) 4.647 7.973 ( -25.671 0.000 11.171) 27.996 8.118 ( -5.411 0.000 3.328) 6.352 8.411 ( -5.282 0.000 -0.190) 5.286 8.654 ( -19.150 0.000 4.943) 19.778 8.827 ( -3.721 0.000 1.877) 4.168 9.679 ( 15.341 -0.000 2.527) 15.547 9.839 ( 8.052 -0.000 -0.473) 8.066 10.107 ( 11.538 -0.000 6.360) 13.175 10.315 ( 10.060 -0.000 -7.225) 12.385 11.244 ( -5.685 0.000 1.888) 5.990 11.312 ( -3.255 0.000 -4.045) 5.192 11.524 ( 4.469 -0.000 0.572) 4.506 11.677 ( -0.070 0.000 -14.798) 14.798 11.818 ( -1.427 0.000 6.156) 6.319 11.981 ( -5.148 0.000 -4.151) 6.613 12.345 ( 17.380 -0.000 0.015) 17.380 12.566 ( -6.249 0.000 -0.831) 6.304 12.623 ( 11.376 -0.000 5.873) 12.802 13.150 ( 12.510 -0.000 -2.902) 12.842 14.553 ( -7.322 0.000 -2.326) 7.682 14.847 ( -10.862 0.000 2.894) 11.241 16.008 ( -2.187 0.000 -2.302) 3.175 16.079 ( 0.085 -0.000 3.178) 3.179 21.736 ( -1.066 0.000 -1.141) 1.562 21.974 ( -1.716 0.000 4.369) 4.694 22.268 ( -6.292 0.000 8.451) 10.536 22.363 ( -5.214 0.000 -6.220) 8.116 22.586 ( -0.386 0.000 -5.172) 5.187 22.601 ( 0.480 -0.000 -3.495) 3.527 24.355 ( 19.424 -0.000 -2.425) 19.575 24.387 ( 13.903 -0.000 4.646) 14.659 25.797 ( -21.886 0.000 3.427) 22.153 25.978 ( -23.041 0.000 -8.177) 24.449 28.066 ( 9.379 -0.000 -5.310) 10.778 28.363 ( 10.354 -0.000 3.178) 10.831 ======================= Grid point 208 (87/117) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -7.975 0.000 -23.397) 24.719 1.134 ( 7.975 -0.000 23.397) 24.719 1.254 ( 7.847 -0.000 -31.098) 32.073 1.254 ( -7.847 0.000 31.098) 32.073 2.095 ( 3.840 -0.000 -7.200) 8.160 2.095 ( -3.840 0.000 7.200) 8.160 2.624 ( 2.493 -0.000 -45.287) 45.356 2.624 ( -2.493 0.000 45.287) 45.356 2.956 ( 3.832 -0.000 -4.476) 5.893 2.956 ( -3.832 0.000 4.476) 5.893 3.188 ( 1.065 -0.000 -4.522) 4.645 3.188 ( -1.065 0.000 4.522) 4.645 3.549 ( 1.011 -0.000 -7.971) 8.035 3.549 ( -1.011 0.000 7.971) 8.035 3.732 ( -0.582 0.000 -8.572) 8.592 3.732 ( 0.582 -0.000 8.572) 8.592 3.949 ( 1.943 -0.000 -2.518) 3.180 3.949 ( -1.943 0.000 2.518) 3.180 4.374 ( 1.248 -0.000 -5.890) 6.021 4.374 ( -1.248 0.000 5.890) 6.021 4.572 ( 2.615 -0.000 -14.218) 14.456 4.572 ( -2.615 0.000 14.218) 14.456 4.627 ( -1.011 0.000 -14.811) 14.845 4.627 ( 1.011 -0.000 14.811) 14.845 4.777 ( 0.800 -0.000 -2.519) 2.643 4.777 ( -0.800 0.000 2.519) 2.643 5.237 ( -0.038 0.000 -7.866) 7.866 5.237 ( 0.038 -0.000 7.866) 7.866 5.706 ( 0.069 -0.000 -9.061) 9.062 5.706 ( -0.069 0.000 9.061) 9.062 6.409 ( 7.902 -0.000 -4.056) 8.882 6.409 ( -7.902 0.000 4.056) 8.882 7.179 ( -11.039 0.000 3.584) 11.606 7.179 ( 11.039 -0.000 -3.584) 11.606 7.415 ( -7.305 0.000 -13.386) 15.250 7.415 ( 7.305 -0.000 13.386) 15.250 7.541 ( 7.796 -0.000 -13.428) 15.527 7.541 ( -7.796 0.000 13.428) 15.527 8.355 ( 8.317 -0.000 -8.373) 11.801 8.355 ( -8.317 0.000 8.373) 11.801 8.453 ( -13.020 0.000 -11.315) 17.250 8.453 ( 13.020 -0.000 11.315) 17.250 10.175 ( -3.674 0.000 -5.114) 6.297 10.175 ( 3.674 -0.000 5.114) 6.297 10.268 ( -7.545 0.000 -4.330) 8.699 10.268 ( 7.545 -0.000 4.330) 8.699 11.094 ( 7.005 -0.000 -7.092) 9.969 11.094 ( -7.005 0.000 7.092) 9.969 11.497 ( -3.500 0.000 -9.057) 9.710 11.497 ( 3.500 -0.000 9.057) 9.710 11.923 ( 1.687 -0.000 -8.749) 8.910 11.923 ( -1.687 0.000 8.749) 8.910 12.467 ( 0.750 -0.000 -1.085) 1.319 12.467 ( -0.750 0.000 1.085) 1.319 13.327 ( -7.997 0.000 -5.132) 9.502 13.327 ( 7.997 -0.000 5.132) 9.502 14.460 ( -9.636 0.000 1.080) 9.696 14.460 ( 9.636 -0.000 -1.080) 9.696 15.995 ( -3.225 0.000 -1.025) 3.384 15.995 ( 3.225 -0.000 1.025) 3.384 21.833 ( -8.234 0.000 0.939) 8.287 21.833 ( 8.234 -0.000 -0.939) 8.287 22.225 ( 4.910 -0.000 -4.370) 6.573 22.225 ( -4.910 0.000 4.370) 6.573 22.429 ( 4.292 -0.000 -9.809) 10.707 22.429 ( -4.292 0.000 9.809) 10.707 24.729 ( 3.892 -0.000 -6.860) 7.887 24.729 ( -3.892 0.000 6.860) 7.887 25.244 ( -2.118 0.000 -2.354) 3.167 25.244 ( 2.118 -0.000 2.354) 3.167 28.411 ( -11.423 0.000 0.026) 11.423 28.411 ( 11.423 -0.000 -0.026) 11.423 ======================= Grid point 210 (88/117) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 2.950 -5.685 -9.442) 11.409 1.316 ( 8.349 -9.438 20.390) 23.970 1.451 ( 15.541 -7.897 -8.346) 19.327 1.563 ( 23.235 -8.770 -1.846) 24.903 2.008 ( -7.302 -4.501 4.905) 9.881 2.231 ( 12.408 -4.112 -3.808) 13.615 2.718 ( 9.559 -3.427 37.303) 38.661 2.772 ( 11.687 -6.424 -39.643) 41.826 2.989 ( 5.474 2.122 4.317) 7.287 3.109 ( 9.159 3.494 -6.253) 11.627 3.188 ( 0.048 -2.828 4.380) 5.213 3.206 ( 1.827 -2.773 -3.927) 5.143 3.529 ( -1.361 3.831 4.921) 6.383 3.553 ( 0.234 4.872 -3.216) 5.843 3.649 ( -5.228 -3.218 -3.393) 7.014 3.715 ( -1.018 -3.180 5.528) 6.459 3.896 ( -3.923 -2.581 4.664) 6.618 3.987 ( 1.182 -1.987 -4.312) 4.893 4.304 ( -2.568 1.480 5.701) 6.426 4.327 ( -3.141 0.071 -6.614) 7.322 4.617 ( 2.580 4.049 -0.852) 4.876 4.655 ( 2.213 0.197 2.864) 3.624 4.695 ( 0.182 1.199 1.327) 1.798 4.728 ( 5.420 1.124 -6.954) 8.888 4.821 ( 12.356 0.820 -0.720) 12.405 4.856 ( 12.069 -1.016 4.401) 12.886 5.269 ( 5.776 1.713 -9.102) 10.915 5.278 ( 5.860 1.827 8.650) 10.607 5.701 ( -0.471 -0.569 -5.101) 5.154 5.707 ( -0.605 -1.132 5.213) 5.368 6.338 ( -0.304 0.969 -4.053) 4.178 6.624 ( 16.440 -0.010 -5.480) 17.329 6.870 ( -18.843 1.852 19.129) 26.915 7.168 ( -7.675 1.562 -8.487) 11.549 7.288 ( 5.030 1.940 0.132) 5.392 7.381 ( -1.150 -6.096 0.280) 6.210 7.775 ( 17.682 5.742 3.110) 18.849 7.917 ( 18.840 -2.168 -10.354) 21.607 8.238 ( -7.716 0.915 -0.650) 7.797 8.267 ( -1.241 -2.801 -0.799) 3.166 8.518 ( 11.260 2.084 -7.746) 13.825 8.663 ( 11.086 3.064 10.745) 15.740 9.963 ( -12.785 4.090 0.348) 13.428 10.030 ( -13.955 -2.317 1.125) 14.190 10.230 ( -1.337 5.736 -0.887) 5.956 10.349 ( -3.530 -3.295 2.559) 5.465 11.096 ( 8.207 1.848 1.472) 8.541 11.236 ( 5.709 2.093 -0.175) 6.083 11.453 ( 1.713 -0.642 -9.010) 9.194 11.538 ( 1.346 -0.085 3.850) 4.079 11.889 ( -2.951 -1.373 7.314) 8.006 11.952 ( 2.374 -0.597 -8.414) 8.762 12.454 ( -1.345 -0.545 5.849) 6.027 12.485 ( -0.926 -3.522 -0.246) 3.650 13.060 ( -18.625 0.864 -7.352) 20.042 13.282 ( -11.933 0.932 5.981) 13.381 14.404 ( 4.354 2.392 -0.331) 4.979 14.667 ( 12.164 1.277 -0.021) 12.231 15.966 ( 0.045 0.571 -0.594) 0.825 16.069 ( 4.293 -0.133 0.491) 4.323 21.759 ( -1.091 -0.813 -1.914) 2.348 21.996 ( 7.629 -0.471 -4.638) 8.940 22.177 ( -0.452 0.855 6.346) 6.419 22.318 ( 6.007 2.086 -2.997) 7.030 22.429 ( 2.930 -2.361 6.905) 7.864 22.529 ( 5.201 -2.450 -5.484) 7.945 24.567 ( -13.248 1.270 5.267) 14.313 24.680 ( -7.937 2.069 -5.330) 9.782 25.412 ( 18.968 1.115 -0.060) 19.000 25.483 ( 21.417 -0.292 -1.367) 21.463 28.149 ( -14.227 0.902 6.107) 15.509 28.467 ( -2.890 3.449 2.785) 5.292 ======================= Grid point 211 (89/117) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 6.225 -7.778 -4.232) 10.824 1.602 ( 7.747 -10.622 13.114) 18.569 1.764 ( 11.035 -10.740 -16.417) 22.509 1.882 ( 5.369 -3.703 17.940) 19.089 2.155 ( 15.607 -13.148 -6.186) 21.324 2.533 ( 12.647 -4.880 -3.628) 14.033 2.941 ( 2.771 -0.202 1.075) 2.979 3.021 ( 12.773 -1.907 5.805) 14.159 3.125 ( 4.855 4.351 0.200) 6.522 3.184 ( 16.144 -1.288 -2.352) 16.365 3.235 ( 1.010 -5.861 1.494) 6.133 3.302 ( 3.464 -1.947 -9.458) 10.259 3.441 ( -2.919 -0.054 1.238) 3.171 3.532 ( 2.128 -1.017 4.451) 5.037 3.622 ( -1.656 0.054 -0.316) 1.686 3.761 ( 1.570 -3.796 -1.346) 4.323 3.938 ( 4.047 -6.005 5.753) 9.248 4.021 ( 0.865 -1.760 -0.953) 2.180 4.269 ( -1.646 1.058 -5.648) 5.977 4.289 ( 1.148 0.177 0.381) 1.223 4.572 ( -2.513 3.275 -2.108) 4.635 4.604 ( -4.378 2.024 0.339) 4.835 4.672 ( 0.025 5.336 7.219) 8.977 4.817 ( 4.554 0.795 -8.278) 9.482 5.006 ( 8.462 1.287 -1.864) 8.760 5.075 ( 9.678 -0.181 3.925) 10.445 5.421 ( 12.218 2.903 4.458) 13.326 5.447 ( 14.770 0.901 -3.727) 15.259 5.702 ( -0.603 -0.553 5.227) 5.291 5.717 ( 1.644 -0.708 -3.462) 3.897 6.334 ( 0.199 1.774 -13.688) 13.804 6.576 ( -14.361 -0.146 17.633) 22.741 6.957 ( 19.636 -0.655 -4.607) 20.180 7.190 ( 11.214 -0.675 -0.600) 11.250 7.392 ( 8.705 0.642 -1.334) 8.830 7.457 ( 4.544 -2.018 3.791) 6.252 7.914 ( 7.456 6.201 1.424) 9.802 8.066 ( -2.815 0.676 0.335) 2.914 8.275 ( 18.011 3.450 -1.875) 18.434 8.440 ( 12.248 -4.803 -7.388) 15.088 8.694 ( 11.339 5.652 -4.341) 13.393 8.822 ( 11.505 2.587 4.729) 12.705 9.717 ( -11.233 2.504 -2.960) 11.883 9.801 ( -12.511 0.038 2.565) 12.771 10.052 ( -11.625 5.608 6.223) 14.329 10.253 ( -9.282 -1.524 -0.631) 9.427 11.221 ( 0.395 4.059 1.419) 4.318 11.254 ( 5.890 3.402 -2.710) 7.322 11.523 ( 2.253 -1.082 0.206) 2.508 11.598 ( 4.055 -3.048 -3.712) 6.286 11.855 ( -2.033 -0.572 3.334) 3.946 12.043 ( 5.539 -4.758 -6.054) 9.485 12.343 ( -16.532 -1.636 3.574) 16.992 12.488 ( -1.377 -2.599 5.004) 5.804 12.792 ( -6.121 1.233 -9.389) 11.276 12.998 ( -15.209 2.721 8.040) 17.417 14.511 ( 9.957 4.318 -3.080) 11.282 14.832 ( 8.656 2.765 1.914) 9.286 15.968 ( 0.418 0.995 0.991) 1.465 16.127 ( 1.679 -0.242 -0.886) 1.914 21.773 ( 0.330 -2.495 -2.258) 3.381 22.087 ( 0.849 -4.555 -2.064) 5.072 22.182 ( 2.718 3.046 8.282) 9.234 22.419 ( 7.561 1.565 -3.834) 8.621 22.511 ( 3.165 -1.896 1.618) 4.029 22.637 ( 3.332 -4.078 -4.115) 6.683 24.268 ( -18.034 2.650 2.619) 18.415 24.436 ( -16.151 2.133 -1.839) 16.395 25.785 ( 23.970 4.464 1.390) 24.421 25.876 ( 22.329 2.760 -2.040) 22.591 27.970 ( -5.753 -0.012 3.563) 6.767 28.317 ( -8.709 3.456 1.583) 9.503 ======================= Grid point 212 (90/117) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 13.057 -1.639 -0.754) 13.182 1.700 ( -0.235 -6.805 0.367) 6.819 2.052 ( 5.114 -7.140 5.605) 10.419 2.120 ( 15.332 -13.698 1.259) 20.598 2.516 ( 12.553 -6.027 -4.757) 14.715 2.636 ( -2.345 -2.405 -2.205) 4.018 3.020 ( 0.302 7.045 2.582) 7.509 3.031 ( 3.526 -3.643 0.529) 5.098 3.186 ( 3.830 3.848 -2.056) 5.805 3.241 ( -4.721 -3.575 -1.203) 6.043 3.347 ( 1.695 3.482 -1.827) 4.282 3.409 ( 5.910 0.238 5.377) 7.994 3.510 ( 0.392 3.235 -0.307) 3.273 3.639 ( 0.719 -5.364 2.628) 6.017 3.693 ( 11.974 -12.796 1.122) 17.561 3.869 ( 4.122 -6.147 -2.623) 7.853 4.044 ( 3.141 -1.579 3.072) 4.669 4.109 ( 5.678 -5.441 0.075) 7.864 4.268 ( 3.292 -2.413 -6.196) 7.420 4.335 ( 3.624 2.053 -4.403) 6.062 4.507 ( -2.460 -0.367 -0.175) 2.493 4.531 ( -2.486 0.934 0.700) 2.746 4.584 ( -1.878 6.961 6.621) 9.789 4.833 ( 0.236 3.108 -4.381) 5.376 5.136 ( 6.517 -1.727 -4.145) 7.914 5.218 ( 6.514 -0.737 1.593) 6.746 5.566 ( 5.115 2.295 2.832) 6.281 5.671 ( 0.971 2.523 4.689) 5.413 5.735 ( 14.228 0.468 -4.151) 14.829 5.799 ( 8.122 1.073 2.069) 8.450 6.292 ( -2.486 1.136 -11.987) 12.295 6.365 ( -11.158 -1.425 12.855) 17.082 7.266 ( 14.147 -0.407 -7.967) 16.241 7.440 ( 10.947 1.924 4.856) 12.129 7.541 ( 3.267 0.456 5.745) 6.624 7.585 ( 10.484 -1.485 -0.403) 10.596 8.091 ( 11.959 1.435 -1.803) 12.179 8.104 ( 20.998 2.008 1.918) 21.181 8.580 ( 18.056 1.868 -2.784) 18.364 8.691 ( 12.756 3.796 -6.328) 14.737 8.838 ( 13.933 2.758 -1.306) 14.264 9.029 ( 12.222 0.883 3.113) 12.643 9.526 ( -7.983 1.516 -5.545) 9.837 9.592 ( -11.331 0.685 3.946) 12.018 9.790 ( -11.243 4.607 7.912) 14.499 10.052 ( -13.304 0.657 -4.519) 14.066 11.033 ( -20.300 0.684 2.775) 20.501 11.244 ( -8.785 1.402 -1.039) 8.956 11.504 ( -7.345 -1.927 4.839) 9.004 11.697 ( 5.302 -1.614 -7.557) 9.371 11.856 ( 2.850 2.126 -0.087) 3.557 12.003 ( -11.244 0.085 -0.996) 11.288 12.244 ( 8.501 -2.873 -6.007) 10.798 12.479 ( -2.109 -1.546 9.695) 10.042 12.763 ( -0.255 -1.784 -8.446) 8.636 12.791 ( -4.806 2.785 9.285) 10.820 14.653 ( 10.814 4.758 -4.695) 12.713 14.936 ( 6.707 3.638 3.012) 8.204 15.952 ( -1.389 0.730 2.962) 3.352 16.125 ( -2.117 -0.505 -2.448) 3.276 21.800 ( -0.228 -3.092 -2.206) 3.805 22.124 ( -1.488 -5.830 1.463) 6.192 22.226 ( 5.239 3.649 4.695) 7.925 22.521 ( 3.394 -0.759 0.300) 3.491 22.601 ( 5.953 -2.126 -3.459) 7.206 22.710 ( 1.470 -3.238 -2.854) 4.560 23.910 ( -18.555 3.680 1.016) 18.944 24.118 ( -16.963 1.086 0.411) 17.003 26.134 ( 19.916 5.048 0.620) 20.555 26.193 ( 16.948 3.645 -0.353) 17.339 27.917 ( -0.732 1.157 -0.591) 1.491 28.136 ( -8.700 1.651 1.788) 9.034 ======================= Grid point 213 (91/117) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 5.305 1.236 -3.005) 6.221 1.856 ( 11.132 -3.942 3.743) 12.388 2.169 ( 2.274 -4.618 1.684) 5.416 2.436 ( -6.316 -5.772 -4.909) 9.865 2.515 ( 8.835 -4.268 0.022) 9.812 2.798 ( 4.274 -4.105 -0.854) 5.987 2.969 ( 4.392 7.110 8.735) 12.089 3.049 ( -0.158 -0.898 2.456) 2.620 3.151 ( -4.052 0.366 0.045) 4.068 3.305 ( -0.843 1.258 -3.848) 4.135 3.347 ( 4.494 0.228 -9.180) 10.223 3.433 ( 0.260 0.624 2.504) 2.593 3.485 ( 0.877 -0.920 1.389) 1.882 3.606 ( -4.510 0.193 1.221) 4.677 3.922 ( -1.510 -3.786 -2.056) 4.565 4.018 ( 6.521 -11.984 8.457) 16.052 4.136 ( 3.133 -2.714 -0.128) 4.148 4.193 ( 1.145 -2.239 -4.728) 5.355 4.339 ( -0.082 4.968 -2.327) 5.487 4.402 ( 3.292 6.831 0.312) 7.590 4.443 ( 3.351 0.438 3.424) 4.811 4.514 ( 2.765 -1.631 -2.511) 4.075 4.611 ( 2.025 -6.177 -1.458) 6.662 4.789 ( -2.106 2.044 -0.301) 2.950 5.262 ( 4.599 -4.082 -2.838) 6.773 5.327 ( 4.195 -2.320 -0.924) 4.882 5.559 ( -1.621 5.228 5.508) 7.765 5.632 ( -0.334 3.546 -1.127) 3.736 5.932 ( 9.385 2.407 0.636) 9.709 5.996 ( 11.827 0.222 0.819) 11.857 6.200 ( -8.843 -2.067 10.571) 13.937 6.241 ( -3.754 -0.606 -10.384) 11.058 7.459 ( 8.141 0.282 -8.828) 12.012 7.516 ( 1.494 3.003 6.788) 7.572 7.567 ( 0.879 -1.228 0.417) 1.567 7.675 ( 0.692 0.880 2.728) 2.949 8.443 ( 22.541 -0.659 -1.364) 22.592 8.599 ( 30.800 0.094 -0.797) 30.811 8.796 ( 6.335 4.449 -4.057) 8.740 8.865 ( 15.755 2.028 3.860) 16.347 9.125 ( 13.523 1.647 -1.353) 13.690 9.198 ( 5.103 0.557 5.529) 7.545 9.361 ( -11.909 -0.607 -2.038) 12.097 9.455 ( -0.013 -2.151 -1.680) 2.729 9.669 ( 6.678 4.954 -1.073) 8.384 9.814 ( -9.022 1.926 -1.263) 9.312 10.531 ( -34.921 -1.984 0.358) 34.979 10.789 ( -37.133 -1.099 1.985) 37.202 11.468 ( 1.589 1.063 4.325) 4.728 11.757 ( 0.353 -0.149 -2.632) 2.659 11.889 ( 4.396 3.241 -4.074) 6.814 11.956 ( 2.048 0.242 -2.112) 2.952 12.403 ( 6.487 0.208 -4.964) 8.171 12.470 ( -1.015 -3.348 9.560) 10.180 12.744 ( 0.997 3.355 9.224) 9.865 12.773 ( -1.836 -4.219 -8.550) 9.709 14.790 ( 8.518 3.405 -3.917) 9.975 15.004 ( 3.914 2.568 2.519) 5.316 15.917 ( -1.663 0.393 3.751) 4.122 16.072 ( -3.793 -0.683 -3.081) 4.934 21.816 ( -0.537 -1.997 -1.426) 2.512 22.151 ( -0.613 -3.782 1.828) 4.245 22.286 ( 3.826 1.958 1.662) 4.608 22.563 ( 0.891 -1.048 1.310) 1.900 22.731 ( 4.966 -1.640 -3.754) 6.438 22.761 ( 2.646 -2.071 -1.018) 3.511 23.582 ( -13.911 2.967 0.417) 14.230 23.855 ( -11.119 0.538 0.806) 11.161 26.378 ( 10.913 1.829 -0.386) 11.072 26.404 ( 10.333 3.403 0.703) 10.902 27.900 ( 0.589 2.588 -2.484) 3.635 27.996 ( -6.327 -0.568 2.504) 6.828 ======================= Grid point 214 (92/117) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -0.000 0.000 0.000) 0.000 2.011 ( -0.000 0.000 0.000) 0.000 2.252 ( -0.000 -0.000 0.000) 0.000 2.284 ( -0.000 0.000 -0.000) 0.000 2.698 ( -0.000 0.000 0.000) 0.000 2.784 ( 0.000 -0.000 0.000) 0.000 3.024 ( -0.000 0.000 0.000) 0.000 3.084 ( 0.000 -0.000 0.000) 0.000 3.104 ( -0.000 0.000 0.000) 0.000 3.250 ( -0.000 0.000 0.000) 0.000 3.379 ( -0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 -0.000) 0.000 3.549 ( -0.000 -0.000 0.000) 0.000 3.563 ( -0.000 0.000 0.000) 0.000 3.913 ( -0.000 0.000 -0.000) 0.000 4.113 ( -0.000 -0.000 0.000) 0.000 4.189 ( -0.000 0.000 -0.000) 0.000 4.207 ( -0.000 0.000 0.000) 0.000 4.306 ( -0.000 -0.000 0.000) 0.000 4.366 ( 0.000 0.000 0.000) 0.000 4.498 ( -0.000 0.000 0.000) 0.000 4.585 ( -0.000 0.000 0.000) 0.000 4.668 ( -0.000 0.000 0.000) 0.000 4.747 ( -0.000 0.000 0.000) 0.000 5.337 ( -0.000 -0.000 0.000) 0.000 5.393 ( 0.000 -0.000 -0.000) 0.000 5.485 ( -0.000 0.000 0.000) 0.000 5.608 ( -0.000 0.000 0.000) 0.000 6.051 ( -0.000 0.000 0.000) 0.000 6.076 ( -0.000 0.000 0.000) 0.000 6.141 ( -0.000 0.000 -0.000) 0.000 6.183 ( 0.000 0.000 0.000) 0.000 7.501 ( -0.000 0.000 0.000) 0.000 7.542 ( -0.000 0.000 -0.000) 0.000 7.583 ( -0.000 -0.000 -0.000) 0.000 7.666 ( -0.000 0.000 0.000) 0.000 8.717 ( -0.000 0.000 0.000) 0.000 8.834 ( -0.000 0.000 0.000) 0.000 8.872 ( -0.000 0.000 -0.000) 0.000 9.112 ( -0.000 0.000 -0.000) 0.000 9.118 ( -0.000 -0.000 0.000) 0.000 9.196 ( 0.000 0.000 0.000) 0.000 9.333 ( -0.000 0.000 -0.000) 0.000 9.386 ( 0.000 0.000 0.000) 0.000 9.917 ( -0.000 -0.000 -0.000) 0.000 9.959 ( 0.000 0.000 0.000) 0.000 10.025 ( -0.000 0.000 0.000) 0.000 10.204 ( 0.000 0.000 -0.000) 0.000 11.483 ( -0.000 0.000 -0.000) 0.000 11.755 ( -0.000 0.000 0.000) 0.000 11.915 ( -0.000 0.000 0.000) 0.000 11.982 ( -0.000 0.000 0.000) 0.000 12.440 ( -0.000 -0.000 0.000) 0.000 12.503 ( 0.000 0.000 -0.000) 0.000 12.739 ( -0.000 0.000 0.000) 0.000 12.775 ( -0.000 -0.000 -0.000) 0.000 14.857 ( -0.000 0.000 0.000) 0.000 15.025 ( -0.000 0.000 0.000) 0.000 15.901 ( -0.000 0.000 0.000) 0.000 16.033 ( -0.000 0.000 -0.000) 0.000 21.820 ( -0.000 0.000 0.000) 0.000 22.165 ( -0.000 0.000 0.000) 0.000 22.313 ( -0.000 0.000 0.000) 0.000 22.576 ( -0.000 0.000 0.000) 0.000 22.770 ( -0.000 0.000 0.000) 0.000 22.821 ( -0.000 0.000 0.000) 0.000 23.429 ( -0.000 0.000 0.000) 0.000 23.749 ( -0.000 0.000 0.000) 0.000 26.471 ( -0.000 0.000 0.000) 0.000 26.480 ( -0.000 -0.000 -0.000) 0.000 27.892 ( -0.000 -0.000 0.000) 0.000 27.941 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 221 (93/117) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 5.773 -0.000 8.520) 10.292 1.572 ( 18.834 -0.000 10.905) 21.764 1.651 ( 11.153 -0.000 -16.973) 20.309 1.850 ( 1.164 -0.000 21.273) 21.305 1.995 ( 19.325 -0.000 -8.649) 21.172 2.491 ( 13.964 -0.000 -8.716) 16.461 2.921 ( 4.294 -0.000 -28.970) 29.286 2.988 ( 19.239 -0.000 32.927) 38.136 3.154 ( 13.980 -0.000 -1.201) 14.032 3.188 ( 1.195 -0.000 5.318) 5.451 3.210 ( 6.002 -0.000 -8.935) 10.763 3.264 ( 3.424 -0.000 -3.344) 4.787 3.446 ( -7.022 0.000 -2.604) 7.489 3.525 ( -2.097 0.000 7.936) 8.208 3.679 ( 2.735 -0.000 -1.186) 2.981 3.717 ( 2.702 -0.000 0.259) 2.714 3.856 ( 2.681 -0.000 4.585) 5.311 4.000 ( 1.271 -0.000 -2.172) 2.517 4.278 ( -2.531 0.000 -8.170) 8.553 4.292 ( 0.776 -0.000 4.493) 4.559 4.610 ( -4.665 0.000 -0.931) 4.757 4.627 ( -6.191 0.000 -1.336) 6.333 4.729 ( 2.987 -0.000 9.386) 9.850 4.813 ( 5.430 -0.000 -11.266) 12.507 5.043 ( 7.980 -0.000 4.137) 8.988 5.045 ( 9.093 -0.000 -0.513) 9.107 5.456 ( 11.711 -0.000 6.531) 13.409 5.460 ( 14.987 -0.000 -6.691) 16.413 5.692 ( -0.510 0.000 8.928) 8.942 5.707 ( 2.262 -0.000 -6.768) 7.136 6.350 ( -0.120 0.000 -14.888) 14.888 6.572 ( -15.529 0.000 18.871) 24.439 6.950 ( 19.541 -0.000 -5.155) 20.210 7.183 ( 11.270 -0.000 -1.015) 11.315 7.411 ( 7.792 -0.000 -7.831) 11.047 7.419 ( 6.457 -0.000 11.193) 12.922 7.997 ( 2.494 -0.000 -1.582) 2.953 8.053 ( 0.681 -0.000 2.908) 2.986 8.343 ( 17.655 -0.000 4.593) 18.243 8.349 ( 13.787 -0.000 -13.038) 18.976 8.751 ( 13.609 -0.000 -4.462) 14.322 8.843 ( 7.728 -0.000 4.104) 8.750 9.749 ( -12.572 0.000 -3.492) 13.048 9.794 ( -11.502 0.000 3.713) 12.087 10.132 ( -14.590 0.000 9.344) 17.326 10.216 ( -5.971 0.000 -4.803) 7.663 11.255 ( -2.529 0.000 2.102) 3.289 11.307 ( 9.951 -0.000 -4.168) 10.789 11.492 ( -2.700 0.000 2.070) 3.402 11.572 ( 3.844 -0.000 -4.514) 5.929 11.864 ( 3.420 -0.000 6.214) 7.093 11.981 ( 1.521 -0.000 -9.400) 9.523 12.328 ( -14.712 0.000 1.475) 14.786 12.465 ( 0.444 -0.000 7.922) 7.935 12.805 ( -7.424 0.000 -10.416) 12.791 13.024 ( -15.191 0.000 8.779) 17.546 14.554 ( 9.788 -0.000 -2.349) 10.066 14.859 ( 8.824 -0.000 1.925) 9.031 15.978 ( 0.298 -0.000 0.550) 0.625 16.125 ( 1.701 -0.000 -0.973) 1.960 21.749 ( 0.093 -0.000 -1.976) 1.978 22.040 ( -0.193 0.000 -1.209) 1.224 22.211 ( 3.370 -0.000 8.103) 8.775 22.444 ( 6.700 -0.000 -6.889) 9.610 22.519 ( 6.030 -0.000 0.065) 6.030 22.566 ( 1.069 -0.000 -1.154) 1.573 24.295 ( -17.490 0.000 3.044) 17.753 24.456 ( -17.364 0.000 -1.682) 17.446 25.835 ( 24.839 -0.000 5.336) 25.406 25.896 ( 22.535 -0.000 -6.343) 23.411 27.970 ( -5.675 0.000 3.603) 6.722 28.352 ( -10.175 0.000 2.885) 10.577 ======================= Grid point 222 (94/117) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 15.417 -6.966 9.932) 19.618 1.711 ( 3.445 5.038 1.421) 6.267 1.952 ( 15.538 -3.899 14.609) 21.681 1.975 ( 12.624 -3.104 -0.640) 13.015 2.369 ( 17.531 -6.591 -10.166) 21.310 2.614 ( -0.709 -0.867 -7.617) 7.699 2.943 ( 1.361 -3.183 -19.074) 19.386 3.143 ( -3.844 2.431 11.303) 12.184 3.184 ( -0.796 1.383 2.132) 2.663 3.254 ( 2.497 1.157 2.168) 3.504 3.375 ( -0.569 -0.242 -0.212) 0.654 3.403 ( 13.924 -1.806 9.973) 17.222 3.503 ( -0.207 -2.066 6.401) 6.729 3.562 ( 17.197 -0.082 -9.045) 19.431 3.675 ( 0.914 4.618 -1.333) 4.893 3.777 ( 3.271 -3.186 -2.529) 5.221 3.996 ( 8.086 -4.401 4.085) 10.071 4.025 ( 1.754 -1.383 1.484) 2.682 4.240 ( -0.764 -0.710 -7.045) 7.122 4.348 ( 5.120 -0.190 -1.235) 5.270 4.504 ( -6.069 0.246 -0.188) 6.077 4.513 ( -5.337 -0.242 -0.816) 5.404 4.736 ( 0.152 5.148 8.113) 9.610 4.879 ( 2.106 1.167 -9.239) 9.548 5.127 ( 4.271 0.893 -1.196) 4.525 5.184 ( 5.134 -2.504 -1.006) 5.800 5.613 ( 5.806 2.271 0.517) 6.256 5.693 ( 0.154 -0.100 7.897) 7.899 5.742 ( 16.009 0.388 -2.541) 16.214 5.807 ( 9.180 0.012 0.923) 9.226 6.307 ( -3.707 0.473 -14.408) 14.885 6.340 ( -11.896 -1.052 15.446) 19.524 7.258 ( 14.434 -0.321 -9.864) 17.485 7.463 ( 12.455 0.721 5.301) 13.555 7.540 ( 3.054 -0.373 2.223) 3.795 7.561 ( 10.619 -0.854 5.079) 11.802 8.095 ( 13.432 0.049 -3.916) 13.992 8.145 ( 15.026 1.327 2.973) 15.374 8.586 ( 13.093 -0.367 -1.803) 13.221 8.730 ( 23.164 0.782 -6.272) 24.011 8.922 ( 9.068 5.400 -0.742) 10.581 9.006 ( 9.370 -3.209 1.135) 9.970 9.550 ( -9.359 0.952 -5.574) 10.935 9.601 ( -11.149 0.146 5.610) 12.482 9.870 ( -11.578 3.034 9.194) 15.092 10.056 ( -11.841 -0.139 -6.915) 13.713 11.042 ( -23.996 0.269 3.820) 24.300 11.272 ( -14.908 1.271 -2.251) 15.130 11.466 ( 0.811 -1.688 6.075) 6.357 11.678 ( 6.076 -0.433 -10.082) 11.779 11.900 ( -2.612 2.114 -1.412) 3.645 11.980 ( 0.179 -1.857 5.802) 6.094 12.205 ( 6.163 -1.116 -12.198) 13.712 12.460 ( -1.881 -0.512 12.065) 12.221 12.744 ( -1.857 -0.360 -10.922) 11.084 12.826 ( -5.971 0.910 11.720) 13.185 14.721 ( 9.991 2.138 -4.178) 11.039 14.982 ( 5.771 1.303 3.162) 6.708 15.966 ( -1.344 0.554 2.483) 2.877 16.119 ( -2.336 -0.165 -2.465) 3.400 21.756 ( 0.021 -1.399 -1.238) 1.869 22.039 ( -0.618 -2.670 -0.506) 2.786 22.286 ( 5.315 2.049 7.594) 9.493 22.540 ( 2.597 2.618 -2.642) 4.536 22.577 ( 6.418 -0.482 -4.242) 7.708 22.633 ( 2.091 -4.662 -1.597) 5.353 23.975 ( -17.158 2.617 1.166) 17.395 24.120 ( -19.322 -0.530 0.770) 19.344 26.206 ( 16.160 2.610 -1.941) 16.484 26.236 ( 17.849 0.783 2.484) 18.038 27.934 ( 0.592 0.527 -1.255) 1.485 28.160 ( -10.620 0.730 2.659) 10.972 ======================= Grid point 223 (95/117) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 6.056 2.850 2.716) 7.223 1.771 ( 17.055 -4.074 7.471) 19.061 2.111 ( 5.194 -0.376 2.476) 5.766 2.296 ( 10.932 -3.096 0.105) 11.363 2.539 ( -3.642 0.368 -0.086) 3.661 2.688 ( 10.175 -6.784 -6.588) 13.891 3.008 ( 0.432 -3.855 -4.708) 6.100 3.054 ( -1.852 -0.768 3.211) 3.786 3.171 ( -0.029 1.175 -0.936) 1.503 3.260 ( 2.870 1.223 -5.088) 5.968 3.371 ( 0.654 0.388 0.352) 0.838 3.473 ( -0.955 4.758 0.694) 4.902 3.574 ( -1.020 2.954 5.254) 6.114 3.620 ( 0.543 2.848 2.089) 3.573 3.788 ( 5.012 -7.114 -1.115) 8.774 3.856 ( 2.053 -4.103 2.469) 5.210 4.091 ( 1.808 -2.428 0.512) 3.070 4.145 ( 2.284 -3.029 -0.893) 3.897 4.326 ( 7.051 -5.257 -4.876) 10.056 4.408 ( 1.115 1.532 -0.350) 1.926 4.469 ( 0.712 -1.725 -0.587) 1.956 4.491 ( 4.153 -2.724 -1.699) 5.249 4.667 ( 0.451 8.851 6.995) 11.291 4.858 ( -0.873 4.373 -5.390) 6.996 5.201 ( 3.311 -2.451 -3.488) 5.398 5.281 ( 3.559 -2.478 -2.879) 5.205 5.639 ( 0.324 3.652 3.264) 4.909 5.686 ( -0.459 1.887 1.439) 2.417 5.969 ( 9.729 1.511 0.965) 9.893 5.992 ( 9.511 -0.684 2.580) 9.878 6.172 ( -7.166 -0.943 12.084) 14.081 6.234 ( -4.123 -0.177 -11.312) 12.041 7.452 ( 7.527 -0.765 -12.517) 14.625 7.518 ( -4.497 -1.335 0.134) 4.693 7.571 ( 3.145 0.681 10.537) 11.017 7.681 ( 0.988 -0.001 3.043) 3.199 8.434 ( 21.283 -0.312 -1.679) 21.352 8.599 ( 29.979 -0.040 -0.670) 29.987 8.791 ( 6.544 -2.053 5.131) 8.566 8.968 ( 12.057 6.704 -4.476) 14.504 9.139 ( 10.282 -1.302 1.696) 10.502 9.211 ( 12.765 1.492 -2.453) 13.084 9.362 ( -13.041 0.537 -0.426) 13.059 9.417 ( -5.120 -1.912 -1.853) 5.771 9.762 ( 5.195 4.531 2.280) 7.261 9.848 ( -7.045 1.465 -2.648) 7.667 10.498 ( -35.877 -1.433 1.237) 35.927 10.770 ( -37.149 -0.904 2.388) 37.237 11.515 ( 4.115 3.802 4.755) 7.348 11.739 ( 0.152 -2.105 -6.003) 6.363 11.926 ( 6.229 1.074 -6.790) 9.276 11.978 ( -1.865 1.399 5.869) 6.315 12.384 ( 9.775 -1.467 -11.097) 14.861 12.426 ( -2.759 -1.514 11.599) 12.019 12.701 ( -4.195 -2.633 -11.929) 12.916 12.796 ( 2.199 1.578 13.592) 13.859 14.851 ( 6.907 2.894 -4.210) 8.591 15.033 ( 0.632 0.659 3.261) 3.386 15.937 ( -0.591 1.464 3.361) 3.714 16.058 ( -4.149 -0.784 -3.060) 5.214 21.774 ( 0.163 -2.135 -0.053) 2.142 22.073 ( 1.018 -3.777 -1.864) 4.333 22.344 ( 3.460 3.504 5.226) 7.180 22.562 ( 2.181 0.618 0.062) 2.268 22.699 ( 3.617 -2.181 -2.977) 5.168 22.721 ( 6.264 -1.798 -2.098) 6.846 23.659 ( -13.570 5.102 0.333) 14.502 23.839 ( -13.024 -2.256 1.163) 13.269 26.382 ( 5.782 -0.168 -1.711) 6.033 26.477 ( 10.512 3.124 2.444) 11.235 27.943 ( 0.730 1.943 -2.886) 3.555 27.986 ( -7.849 -0.458 2.639) 8.293 ======================= Grid point 224 (96/117) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 3.489 6.301 -0.533) 7.222 2.038 ( 4.955 1.640 3.153) 6.098 2.176 ( 3.260 -4.668 3.112) 6.488 2.293 ( -4.103 0.314 -3.443) 5.365 2.627 ( 6.762 -2.781 2.135) 7.616 2.798 ( 0.641 -1.890 -0.325) 2.022 3.084 ( 5.927 -0.735 0.557) 5.999 3.098 ( 1.617 -0.438 3.023) 3.456 3.128 ( -0.250 6.743 1.756) 6.973 3.279 ( -3.336 2.431 -5.815) 7.131 3.398 ( 0.832 3.225 -6.146) 6.990 3.441 ( 0.977 -6.269 3.007) 7.021 3.463 ( -1.584 3.147 1.571) 3.857 3.595 ( 0.096 3.263 0.877) 3.380 3.850 ( -0.700 -4.958 -5.850) 7.700 3.989 ( 1.846 -9.442 6.843) 11.806 4.106 ( -3.084 -6.798 -0.462) 7.479 4.166 ( -1.986 -3.259 1.017) 3.949 4.372 ( 0.434 5.483 -5.321) 7.653 4.481 ( 0.150 2.716 2.803) 3.906 4.504 ( 4.623 2.678 2.414) 5.862 4.569 ( 3.453 -0.344 -1.417) 3.748 4.698 ( 7.221 1.735 -0.195) 7.429 4.786 ( -1.105 4.996 -0.792) 5.178 5.282 ( 2.421 -4.320 -3.753) 6.214 5.356 ( 2.368 -2.608 -3.925) 5.274 5.552 ( -5.528 4.619 6.619) 9.782 5.644 ( -1.872 3.146 -2.677) 4.535 5.997 ( -7.088 -3.030 5.952) 9.739 6.096 ( 2.456 -1.000 -4.627) 5.333 6.159 ( 1.097 2.981 -1.712) 3.608 6.203 ( 4.695 1.452 3.653) 6.123 7.445 ( -5.433 -4.301 -2.548) 7.383 7.535 ( 0.446 -0.746 -7.265) 7.316 7.592 ( -0.425 -0.136 6.405) 6.421 7.659 ( -2.286 -0.578 3.960) 4.609 8.714 ( 3.631 -0.173 -3.100) 4.778 8.795 ( -4.643 -2.834 6.260) 8.293 8.872 ( -2.753 -0.361 2.620) 3.817 9.108 ( -14.709 0.049 0.481) 14.717 9.138 ( -2.066 0.964 -0.912) 2.456 9.198 ( 6.577 0.170 -10.268) 12.195 9.361 ( 4.522 2.661 1.851) 5.564 9.399 ( 6.917 1.321 0.109) 7.043 9.894 ( -25.262 -1.694 -3.552) 25.567 9.980 ( 2.675 1.397 2.356) 3.829 10.048 ( 12.902 2.367 3.533) 13.585 10.190 ( 5.026 -1.435 0.512) 5.252 11.519 ( 0.266 3.821 -1.682) 4.183 11.750 ( 0.167 -0.942 -0.438) 1.053 11.897 ( -6.329 -1.119 7.465) 9.851 12.012 ( 3.537 2.575 -3.434) 5.562 12.386 ( -3.874 -4.204 6.985) 9.026 12.536 ( 5.984 2.192 -12.246) 13.805 12.647 ( -4.877 -6.028 -10.836) 13.325 12.842 ( 4.158 3.526 13.688) 14.734 14.872 ( -3.160 1.536 0.116) 3.516 15.006 ( -3.627 -1.997 0.173) 4.144 15.921 ( 0.409 2.023 -1.587) 2.604 16.028 ( 0.934 -0.629 1.315) 1.732 21.800 ( 0.797 -1.756 1.362) 2.361 22.133 ( 2.095 -2.795 -4.518) 5.711 22.345 ( -0.084 2.946 3.706) 4.736 22.593 ( 2.021 1.361 -0.596) 2.509 22.762 ( 1.942 -0.688 0.472) 2.114 22.824 ( 2.829 0.159 -0.668) 2.911 23.465 ( -1.825 3.774 0.021) 4.192 23.725 ( -1.940 -2.600 0.180) 3.249 26.413 ( -4.058 -3.056 -1.217) 5.224 26.533 ( -1.563 2.546 1.559) 3.370 27.869 ( -4.227 -1.568 2.478) 5.145 27.964 ( 2.057 1.731 -2.754) 3.848 ======================= Grid point 225 (97/117) ======================= q-point: (-0.50 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -5.701 4.805 0.195) 7.459 1.939 ( -5.789 5.380 0.886) 7.953 2.226 ( 0.323 0.369 0.357) 0.607 2.390 ( 8.277 -3.283 2.106) 9.150 2.720 ( 0.330 3.955 2.158) 4.518 2.807 ( 1.415 0.537 1.091) 1.866 2.938 ( -10.679 7.320 -8.167) 15.308 3.076 ( -1.902 2.333 0.396) 3.036 3.185 ( 6.385 2.652 2.134) 7.235 3.243 ( -1.027 -1.031 -1.288) 1.943 3.362 ( -2.449 0.359 6.825) 7.260 3.420 ( 2.739 1.100 -3.701) 4.734 3.553 ( -1.701 3.446 -0.891) 3.945 3.603 ( 5.348 -2.578 3.224) 6.756 3.908 ( 1.762 -5.343 -7.627) 9.477 4.039 ( -2.651 -6.166 0.316) 6.720 4.144 ( -2.424 -5.712 -0.345) 6.215 4.177 ( -2.888 -12.582 2.432) 13.136 4.282 ( -0.381 11.413 -2.048) 11.601 4.413 ( -1.917 9.647 3.170) 10.333 4.509 ( -0.754 4.766 -1.537) 5.064 4.552 ( -3.045 2.097 3.146) 4.854 4.744 ( 2.265 7.149 4.065) 8.530 4.788 ( 2.448 1.361 -3.384) 4.393 5.327 ( -1.831 0.829 -3.394) 3.945 5.366 ( -5.925 2.407 2.790) 6.977 5.453 ( 0.294 -5.371 -5.232) 7.504 5.579 ( -2.814 -1.367 0.762) 3.220 5.890 ( -7.648 -1.826 0.563) 7.883 5.988 ( -11.681 -0.525 -0.356) 11.698 6.241 ( 5.601 1.990 -3.167) 6.735 6.261 ( 4.787 1.757 4.899) 7.071 7.405 ( -5.101 -5.969 -2.501) 8.241 7.466 ( -7.758 -1.294 2.283) 8.189 7.578 ( -2.126 -0.805 -2.435) 3.331 7.646 ( -1.026 -2.091 2.429) 3.365 8.460 ( -23.545 1.195 1.423) 23.619 8.593 ( -31.790 -0.591 0.971) 31.810 8.687 ( -11.417 -5.271 5.431) 13.698 8.842 ( -11.561 -1.831 -5.379) 12.882 9.103 ( -13.648 -0.960 0.530) 13.692 9.174 ( -6.795 -1.995 -5.689) 9.084 9.388 ( 10.089 2.239 0.044) 10.335 9.492 ( -6.739 1.713 2.588) 7.419 9.601 ( -4.720 -2.175 -1.350) 5.369 9.787 ( 11.492 -0.875 3.664) 12.094 10.565 ( 33.430 1.693 0.794) 33.483 10.808 ( 37.733 0.880 -1.694) 37.781 11.474 ( -1.201 1.571 -5.258) 5.617 11.762 ( -0.778 0.826 4.581) 4.720 11.809 ( -3.979 -5.140 4.436) 7.870 11.979 ( -4.017 2.737 2.667) 5.545 12.370 ( -3.026 -3.320 1.481) 4.730 12.520 ( -2.724 0.591 -11.001) 11.349 12.668 ( 0.581 -3.462 -10.258) 10.842 12.865 ( 2.031 5.106 12.160) 13.344 14.737 ( -11.002 -2.229 4.364) 12.044 14.944 ( -6.365 -3.651 -2.774) 7.844 15.923 ( 1.544 0.892 -4.355) 4.706 16.084 ( 4.284 0.724 3.477) 5.565 21.832 ( 1.433 -0.364 2.697) 3.076 22.176 ( 0.575 -0.830 -8.994) 9.051 22.297 ( -1.952 2.778 5.019) 6.060 22.602 ( 1.130 2.876 -1.796) 3.574 22.762 ( -2.441 1.690 2.326) 3.772 22.798 ( -2.413 2.287 1.836) 3.797 23.556 ( 12.915 0.102 -0.305) 12.919 23.821 ( 9.362 -3.052 -0.669) 9.869 26.290 ( -14.167 -5.463 -1.797) 15.290 26.388 ( -12.878 -0.303 1.931) 13.025 27.855 ( 0.072 -2.214 1.880) 2.906 28.007 ( 4.290 0.595 -2.201) 4.858 ======================= Grid point 226 (98/117) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -8.728 3.007 1.981) 9.441 1.838 ( 1.021 6.548 2.035) 6.932 2.197 ( -0.619 7.574 3.412) 8.330 2.425 ( -8.395 13.539 0.374) 15.935 2.580 ( -0.654 6.742 -3.749) 7.742 2.717 ( -4.683 4.620 -0.153) 6.580 2.872 ( 0.406 -6.596 -2.925) 7.227 3.059 ( 0.895 -0.683 -3.696) 3.864 3.188 ( -9.126 3.497 -1.743) 9.927 3.236 ( -4.063 -5.181 4.269) 7.847 3.314 ( 3.387 3.577 4.422) 6.620 3.438 ( 0.702 3.029 -4.766) 5.690 3.517 ( 2.608 2.647 1.371) 3.961 3.706 ( 5.045 1.841 2.776) 6.045 3.914 ( -6.744 2.019 -2.328) 7.414 3.969 ( -5.938 5.413 -7.816) 11.210 4.101 ( -4.779 3.157 0.582) 5.757 4.185 ( -2.789 1.472 2.225) 3.860 4.257 ( -2.213 -4.285 5.460) 7.285 4.311 ( -0.841 -0.495 -1.667) 1.931 4.395 ( -2.419 2.362 2.942) 4.482 4.522 ( 1.077 1.770 -0.489) 2.129 4.668 ( -1.320 7.841 1.581) 8.108 4.801 ( 0.066 0.183 -0.517) 0.552 5.189 ( -8.504 4.153 1.504) 9.582 5.210 ( -10.118 -1.205 -2.201) 10.425 5.525 ( -2.127 -3.048 -4.827) 6.092 5.592 ( 0.323 -6.221 -1.051) 6.317 5.733 ( -15.167 0.378 5.067) 15.995 5.769 ( -7.471 -1.830 -2.226) 8.007 6.267 ( 0.114 -1.364 10.510) 10.599 6.391 ( 9.784 1.372 -10.420) 14.359 7.267 ( -13.409 -0.364 5.322) 14.431 7.379 ( -7.684 -4.968 -4.966) 10.411 7.524 ( -5.120 -1.245 -4.256) 6.773 7.603 ( -8.529 0.139 2.750) 8.963 8.028 ( -19.906 -3.839 -3.937) 20.652 8.096 ( -20.359 -0.169 3.530) 20.663 8.500 ( -18.161 -6.113 2.624) 19.341 8.623 ( -11.419 -2.684 5.514) 12.962 8.814 ( -16.347 -0.824 0.622) 16.379 8.978 ( -15.299 -4.250 -2.601) 16.090 9.494 ( 5.485 -1.892 5.109) 7.730 9.585 ( 11.706 -0.104 -2.768) 12.029 9.724 ( 11.188 -2.391 -10.002) 15.196 10.038 ( 13.930 -0.585 5.523) 14.997 11.015 ( 15.057 -1.304 -1.981) 15.242 11.224 ( 4.260 -0.820 1.175) 4.495 11.533 ( 7.402 1.431 -3.254) 8.211 11.727 ( 3.336 1.235 4.964) 6.107 11.842 ( -5.759 1.097 0.938) 5.938 11.971 ( 16.163 -3.078 1.817) 16.553 12.284 ( -8.103 0.695 2.480) 8.502 12.513 ( 3.459 1.933 -8.675) 9.537 12.713 ( 2.631 -4.538 -8.705) 10.163 12.828 ( -1.209 4.414 9.186) 10.263 14.564 ( -11.671 -4.518 4.978) 13.469 14.858 ( -7.146 -4.479 -2.894) 8.916 15.944 ( 0.855 -0.182 -3.103) 3.224 16.139 ( 2.201 1.019 2.197) 3.272 21.851 ( 1.075 1.869 3.503) 4.113 22.153 ( -3.715 -2.032 -9.512) 10.412 22.248 ( 0.143 5.125 3.334) 6.116 22.555 ( -4.784 2.358 -0.154) 5.336 22.661 ( -2.815 4.780 0.146) 5.549 22.755 ( -1.400 2.084 4.096) 4.804 23.855 ( 18.559 -2.181 -0.686) 18.699 24.076 ( 15.097 -3.463 -0.232) 15.491 26.027 ( -21.000 -6.380 -1.856) 22.026 26.118 ( -19.318 -4.055 1.926) 19.833 27.896 ( 2.514 -1.128 -0.065) 2.756 28.105 ( 6.160 -1.667 -0.895) 6.444 ======================= Grid point 227 (99/117) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -4.589 5.282 6.375) 9.466 1.838 ( 3.916 6.564 -3.706) 8.494 2.018 ( -8.208 15.512 12.480) 21.535 2.088 ( -7.762 21.873 -9.247) 24.983 2.366 ( -10.797 9.518 -0.314) 14.397 2.669 ( -5.398 8.455 0.636) 10.051 2.932 ( -6.859 -2.861 -1.054) 7.506 2.949 ( -1.430 -4.227 -5.818) 7.332 3.080 ( -3.318 -1.603 -2.740) 4.592 3.170 ( -8.583 -3.623 2.093) 9.549 3.332 ( -1.752 2.455 6.489) 7.156 3.369 ( -3.420 6.334 -9.999) 12.320 3.533 ( 1.441 7.227 -6.066) 9.545 3.610 ( -6.374 10.747 15.128) 19.620 3.746 ( 1.568 10.804 -5.638) 12.287 3.838 ( -2.735 4.276 2.718) 5.758 4.026 ( -1.619 2.646 -5.723) 6.510 4.054 ( -4.539 2.863 -0.801) 5.426 4.236 ( -1.185 -2.026 4.290) 4.890 4.299 ( -0.330 0.896 4.771) 4.865 4.476 ( 1.213 -8.475 -3.255) 9.159 4.556 ( 2.677 -1.748 -0.106) 3.199 4.616 ( 0.762 0.820 -0.438) 1.202 4.787 ( -2.893 -1.379 3.147) 4.492 4.991 ( -11.835 -0.945 1.913) 12.026 5.046 ( -10.334 -2.345 -3.138) 11.052 5.380 ( -13.023 -1.402 -0.367) 13.103 5.445 ( -14.326 0.711 0.112) 14.344 5.687 ( 2.204 -2.815 -4.005) 5.369 5.717 ( -0.756 -0.937 2.919) 3.158 6.287 ( -0.809 -3.032 11.218) 11.649 6.572 ( 11.899 -0.542 -14.631) 18.866 6.968 ( -20.049 0.325 3.518) 20.358 7.204 ( -11.107 0.631 -0.629) 11.143 7.377 ( -9.290 -1.487 -0.392) 9.416 7.473 ( -3.416 -0.281 0.688) 3.496 7.810 ( -10.315 -4.844 -3.429) 11.900 8.019 ( 2.991 -4.276 1.310) 5.380 8.209 ( -17.783 -3.780 0.478) 18.186 8.480 ( -9.854 -1.964 10.609) 14.612 8.582 ( -12.210 -4.673 1.570) 13.167 8.747 ( -15.350 -5.364 -5.078) 17.034 9.665 ( 10.463 -3.286 2.821) 11.324 9.794 ( 12.248 -0.411 -1.325) 12.327 9.965 ( 11.626 -3.870 -7.160) 14.192 10.258 ( 9.633 -0.532 0.051) 9.648 11.133 ( -3.542 -5.079 -0.091) 6.192 11.184 ( -6.377 -4.654 1.593) 8.054 11.535 ( -1.801 0.987 0.276) 2.072 11.652 ( -7.828 2.513 3.309) 8.862 11.892 ( 6.795 2.753 -3.550) 8.146 12.112 ( -8.835 2.170 5.035) 10.398 12.383 ( 20.406 2.503 -5.652) 21.321 12.554 ( 5.609 4.103 -1.038) 7.027 12.772 ( 1.240 -0.452 7.231) 7.351 12.930 ( 16.003 -4.343 -6.260) 17.724 14.420 ( -9.652 -4.976 3.354) 11.365 14.769 ( -7.651 -3.649 -1.334) 8.581 15.948 ( -0.739 -1.011 -1.084) 1.657 16.136 ( -1.580 0.850 0.268) 1.814 21.831 ( -0.530 3.516 3.096) 4.714 22.102 ( -5.060 -3.710 -3.700) 7.284 22.191 ( -1.555 4.701 -2.168) 5.406 22.415 ( -7.897 0.537 1.819) 8.122 22.584 ( -1.197 6.059 -4.548) 7.670 22.697 ( -2.976 3.016 6.781) 7.996 24.212 ( 18.233 -3.188 -1.834) 18.601 24.380 ( 14.380 -3.972 1.848) 15.033 25.695 ( -21.824 -5.171 0.003) 22.428 25.798 ( -21.604 -5.222 0.133) 22.227 27.970 ( 5.850 -0.082 -3.347) 6.740 28.243 ( 6.009 -4.234 0.473) 7.366 ======================= Grid point 228 (100/117) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -2.825 7.943 11.337) 14.127 1.648 ( -15.902 12.431 -7.762) 21.626 1.697 ( -7.868 23.452 -15.639) 29.265 1.800 ( -6.731 17.197 16.475) 24.748 2.160 ( 3.239 11.170 2.000) 11.800 2.384 ( -9.456 12.174 -1.556) 15.494 2.835 ( -4.890 7.510 -24.113) 25.724 2.914 ( -4.729 1.480 13.182) 14.082 2.969 ( -9.738 3.434 -0.662) 10.347 3.042 ( -4.001 -0.198 5.749) 7.007 3.234 ( -3.915 0.755 7.329) 8.343 3.256 ( -3.994 1.242 -4.681) 6.278 3.479 ( 1.740 3.589 8.544) 9.429 3.529 ( 1.470 4.260 -9.260) 10.298 3.734 ( 3.983 5.643 2.909) 7.494 3.787 ( -0.116 4.876 -2.579) 5.517 3.957 ( 1.483 3.127 -7.232) 8.017 4.025 ( -0.344 1.421 4.575) 4.803 4.259 ( 1.456 -3.180 -5.839) 6.806 4.319 ( 2.490 -0.804 7.790) 8.218 4.535 ( -0.274 -4.236 0.947) 4.349 4.619 ( 1.123 -3.111 -3.409) 4.750 4.659 ( 1.189 -2.761 -1.168) 3.225 4.703 ( -7.347 -1.124 7.909) 10.854 4.794 ( -12.330 -2.578 0.650) 12.614 4.859 ( -12.636 -0.656 -4.058) 13.288 5.217 ( -6.160 -3.163 5.605) 8.909 5.241 ( -7.169 -1.182 -5.869) 9.340 5.716 ( 0.840 0.555 3.948) 4.074 5.730 ( 0.859 0.732 -3.910) 4.070 6.306 ( 0.677 -2.459 3.711) 4.503 6.621 ( -17.586 -0.418 5.398) 18.400 6.819 ( 14.703 -3.328 -16.547) 22.384 7.123 ( -0.029 -2.889 4.671) 5.492 7.280 ( -2.047 0.066 4.975) 5.380 7.469 ( 3.980 1.957 -1.328) 4.630 7.663 ( -13.290 -4.604 -2.575) 14.299 7.932 ( -14.397 -0.770 -0.290) 14.420 8.187 ( 8.189 -4.466 4.008) 10.152 8.328 ( -5.134 1.883 5.002) 7.411 8.444 ( -10.202 -5.868 7.637) 14.030 8.561 ( -11.938 -7.455 -10.952) 17.834 9.898 ( 11.910 -3.030 -0.254) 12.292 10.037 ( 14.339 -1.200 -1.059) 14.428 10.137 ( 2.647 -3.768 -0.963) 4.705 10.370 ( 1.484 -0.992 -1.957) 2.649 11.038 ( -6.464 -4.146 -1.647) 7.854 11.162 ( -5.284 -5.708 0.575) 7.800 11.475 ( -2.716 1.671 8.313) 8.904 11.542 ( -2.554 0.343 -3.471) 4.323 11.930 ( 1.302 2.565 -5.387) 6.107 11.972 ( -4.499 1.498 6.111) 7.734 12.490 ( 2.608 2.791 -8.032) 8.894 12.569 ( -0.635 5.034 3.779) 6.327 13.033 ( 19.923 -1.921 5.867) 20.857 13.253 ( 13.352 -1.909 -4.635) 14.262 14.337 ( -3.229 -4.159 0.511) 5.290 14.630 ( -11.645 -2.350 0.872) 11.911 15.951 ( 0.537 -0.932 0.469) 1.174 16.075 ( -4.312 0.550 -1.174) 4.502 21.788 ( -0.400 2.330 1.969) 3.077 21.990 ( -10.548 -1.684 3.295) 11.179 22.154 ( 0.422 -0.952 -6.423) 6.507 22.297 ( -5.740 -0.491 0.470) 5.780 22.504 ( -0.594 6.184 -8.278) 10.350 22.596 ( -4.617 4.796 9.715) 11.777 24.524 ( 12.934 -3.294 -4.193) 13.990 24.619 ( 7.342 -4.244 5.244) 9.971 25.388 ( -14.976 -1.389 3.210) 15.379 25.471 ( -18.077 -1.881 -3.004) 18.422 28.123 ( 11.094 -1.691 -6.125) 12.785 28.368 ( 1.411 -6.383 1.155) 6.639 ======================= Grid point 229 (101/117) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -8.022 9.466 -22.327) 25.543 1.227 ( 8.022 9.466 22.327) 25.543 1.484 ( 5.054 21.351 -26.714) 34.569 1.484 ( -5.054 21.351 26.714) 34.569 2.178 ( 0.623 8.575 -4.402) 9.659 2.178 ( -0.623 8.575 4.402) 9.659 2.718 ( 3.269 10.013 -39.643) 41.019 2.718 ( -3.269 10.013 39.643) 41.019 2.940 ( 3.191 -1.643 -4.978) 6.137 2.940 ( -3.191 -1.643 4.978) 6.137 3.214 ( -0.656 1.623 -3.309) 3.744 3.214 ( 0.656 1.623 3.309) 3.744 3.508 ( -0.632 -1.724 -9.821) 9.991 3.508 ( 0.632 -1.724 9.821) 9.991 3.749 ( -0.540 2.473 -5.591) 6.137 3.749 ( 0.540 2.473 5.591) 6.137 3.989 ( 2.654 2.781 -6.382) 7.450 3.989 ( -2.654 2.781 6.382) 7.450 4.348 ( 3.225 -2.762 -6.506) 7.769 4.348 ( -3.225 -2.762 6.506) 7.769 4.572 ( 1.137 0.122 -10.691) 10.752 4.572 ( -1.137 0.122 10.691) 10.752 4.632 ( 0.022 0.375 -11.616) 11.622 4.632 ( -0.022 0.375 11.616) 11.622 4.739 ( 1.560 -3.593 -1.527) 4.204 4.739 ( -1.560 -3.593 1.527) 4.204 5.205 ( -0.132 -3.083 -8.937) 9.455 5.205 ( 0.132 -3.083 8.937) 9.455 5.721 ( -0.153 1.319 -6.941) 7.067 5.721 ( 0.153 1.319 6.941) 7.067 6.397 ( 5.972 -1.213 -3.345) 6.952 6.397 ( -5.972 -1.213 3.345) 6.952 7.101 ( 9.233 -6.222 -12.113) 16.453 7.101 ( -9.233 -6.222 12.113) 16.453 7.396 ( -14.592 -1.456 -3.560) 15.090 7.396 ( 14.592 -1.456 3.560) 15.090 7.630 ( 14.275 5.919 -7.603) 17.222 7.630 ( -14.275 5.919 7.603) 17.222 8.339 ( 4.595 -1.835 -7.208) 8.743 8.339 ( -4.595 -1.835 7.208) 8.743 8.411 ( -11.303 -4.640 -10.887) 16.365 8.411 ( 11.303 -4.640 10.887) 16.365 10.115 ( -2.521 -3.922 -4.109) 6.214 10.115 ( 2.521 -3.922 4.109) 6.214 10.287 ( -5.697 -0.140 -4.444) 7.227 10.287 ( 5.697 -0.140 4.444) 7.227 11.071 ( 6.130 -2.559 -6.819) 9.519 11.071 ( -6.130 -2.559 6.819) 9.519 11.493 ( -3.256 -0.342 -9.882) 10.410 11.493 ( 3.256 -0.342 9.882) 10.410 11.926 ( 1.014 0.560 -7.280) 7.371 11.926 ( -1.014 0.560 7.280) 7.371 12.504 ( 1.640 3.341 -7.007) 7.934 12.504 ( -1.640 3.341 7.007) 7.934 13.317 ( -8.004 -0.915 -4.311) 9.137 13.317 ( 8.004 -0.915 4.311) 9.137 14.434 ( -9.396 -2.411 0.781) 9.732 14.434 ( 9.396 -2.411 -0.781) 9.732 15.994 ( -3.615 -0.059 -1.125) 3.787 15.994 ( 3.615 -0.059 1.125) 3.787 21.828 ( -6.521 -0.359 -0.126) 6.532 21.828 ( 6.521 -0.359 0.126) 6.532 22.212 ( 4.600 -1.391 -3.330) 5.847 22.212 ( -4.600 -1.391 3.330) 5.847 22.473 ( 3.661 4.840 -11.356) 12.876 22.473 ( -3.661 4.840 11.356) 12.876 24.697 ( 2.474 -3.165 -8.229) 9.157 24.697 ( -2.474 -3.165 8.229) 9.157 25.263 ( -2.492 1.430 -5.084) 5.840 25.263 ( 2.492 1.430 5.084) 5.840 28.357 ( -5.879 -5.079 0.785) 7.808 28.357 ( 5.879 -5.079 -0.785) 7.808 ======================= Grid point 233 (102/117) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 19.276 -0.000 12.459) 22.952 1.802 ( 5.178 -0.000 6.554) 8.352 2.135 ( 8.064 -0.000 -2.734) 8.515 2.283 ( 17.166 -0.000 10.640) 20.196 2.526 ( -6.526 0.000 -3.118) 7.233 2.610 ( 12.095 -0.000 -11.906) 16.972 2.939 ( 1.299 -0.000 -19.406) 19.449 3.037 ( -5.413 0.000 6.813) 8.701 3.199 ( 0.643 -0.000 2.553) 2.633 3.294 ( 0.530 -0.000 0.158) 0.553 3.376 ( 1.503 -0.000 -0.485) 1.580 3.495 ( 0.488 -0.000 2.134) 2.189 3.583 ( 4.700 -0.000 4.687) 6.638 3.685 ( -0.822 0.000 3.345) 3.445 3.746 ( 1.515 -0.000 -2.259) 2.720 3.813 ( 2.866 -0.000 2.121) 3.565 4.062 ( 0.740 -0.000 -1.312) 1.507 4.109 ( 3.552 -0.000 -0.211) 3.558 4.269 ( 7.154 -0.000 -1.735) 7.361 4.426 ( -1.451 0.000 2.621) 2.996 4.446 ( 2.222 -0.000 -4.990) 5.463 4.463 ( 5.623 -0.000 -2.138) 6.016 4.759 ( -0.626 0.000 8.212) 8.235 4.905 ( 0.286 -0.000 -8.630) 8.635 5.177 ( 2.071 -0.000 -1.129) 2.358 5.253 ( 4.055 -0.000 -5.076) 6.497 5.687 ( -1.242 0.000 7.695) 7.794 5.691 ( 2.227 -0.000 -3.065) 3.789 5.980 ( 7.900 -0.000 3.704) 8.725 5.986 ( 9.194 -0.000 1.139) 9.265 6.164 ( -5.456 0.000 12.029) 13.208 6.233 ( -3.900 0.000 -11.430) 12.077 7.443 ( 6.615 -0.000 -14.064) 15.542 7.504 ( -4.847 0.000 -0.276) 4.855 7.576 ( 2.501 -0.000 12.772) 13.015 7.680 ( 1.216 -0.000 2.718) 2.978 8.431 ( 20.809 -0.000 -1.868) 20.893 8.599 ( 29.707 -0.000 -0.727) 29.716 8.769 ( 6.576 -0.000 6.204) 9.041 9.064 ( 10.570 -0.000 -12.024) 16.009 9.091 ( 7.578 -0.000 8.581) 11.448 9.232 ( 19.958 -0.000 -6.762) 21.072 9.371 ( -15.150 0.000 6.967) 16.676 9.394 ( -7.570 0.000 -6.206) 9.789 9.809 ( 4.378 -0.000 8.210) 9.305 9.860 ( -6.382 0.000 -7.596) 9.921 10.484 ( -36.238 0.000 1.560) 36.272 10.761 ( -37.275 0.000 2.593) 37.365 11.568 ( 7.194 -0.000 8.265) 10.958 11.704 ( -1.296 0.000 -11.725) 11.797 11.935 ( 6.442 -0.000 -8.504) 10.668 11.992 ( -3.159 0.000 10.956) 11.402 12.372 ( 11.825 -0.000 -16.067) 19.950 12.408 ( -4.204 0.000 15.628) 16.183 12.677 ( -5.241 0.000 -14.271) 15.203 12.810 ( 2.487 -0.000 15.205) 15.407 14.881 ( 6.626 -0.000 -4.771) 8.165 15.037 ( -1.132 0.000 4.064) 4.219 15.954 ( 0.398 -0.000 3.851) 3.871 16.049 ( -4.819 0.000 -3.726) 6.091 21.752 ( 0.402 -0.000 0.536) 0.670 22.035 ( 1.679 -0.000 -2.663) 3.148 22.383 ( 3.318 -0.000 6.755) 7.526 22.572 ( 1.249 -0.000 -2.439) 2.740 22.668 ( 4.349 -0.000 1.149) 4.498 22.706 ( 7.771 -0.000 -5.165) 9.331 23.733 ( -11.551 0.000 -0.738) 11.574 23.794 ( -15.571 0.000 2.344) 15.746 26.380 ( 4.298 -0.000 -1.731) 4.634 26.507 ( 10.048 -0.000 2.635) 10.388 27.964 ( 1.885 -0.000 -3.474) 3.952 27.980 ( -9.619 0.000 3.121) 10.113 ======================= Grid point 234 (103/117) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 5.628 3.355 1.501) 6.722 2.002 ( 10.322 -3.308 7.346) 13.094 2.187 ( 0.346 4.350 1.545) 4.629 2.340 ( -3.317 3.385 -3.734) 6.034 2.597 ( 8.827 -0.951 10.835) 14.008 2.726 ( 0.998 -4.553 -4.698) 6.618 3.012 ( 3.797 -6.231 -11.338) 13.483 3.068 ( 8.195 -0.544 0.923) 8.265 3.208 ( 1.465 1.913 1.280) 2.729 3.283 ( -1.639 -0.472 -0.506) 1.779 3.405 ( 2.386 2.225 -0.174) 3.267 3.482 ( -1.624 1.671 -6.374) 6.786 3.562 ( -3.547 6.687 4.758) 8.941 3.654 ( -0.783 1.819 2.373) 3.090 3.751 ( -0.675 -4.441 -1.249) 4.662 3.864 ( 1.314 -3.531 6.597) 7.597 4.009 ( -6.349 -3.511 -4.340) 8.454 4.113 ( -2.612 -1.902 2.510) 4.092 4.408 ( 4.301 0.370 -2.499) 4.988 4.489 ( 2.254 -0.608 -2.710) 3.577 4.509 ( 10.862 -0.641 2.294) 11.120 4.612 ( 7.838 1.553 -2.548) 8.387 4.735 ( 0.762 2.366 5.555) 6.085 4.880 ( -0.743 3.426 -4.931) 6.050 5.220 ( 1.673 -1.950 -1.442) 2.946 5.315 ( 2.447 -1.423 -5.961) 6.599 5.615 ( -6.850 1.903 8.247) 10.888 5.693 ( -1.488 1.621 -4.937) 5.405 5.956 ( -5.666 -1.197 7.673) 9.614 6.074 ( -1.044 -0.810 -6.700) 6.829 6.208 ( 4.091 1.723 0.796) 4.510 6.222 ( 5.413 0.409 3.197) 6.300 7.382 ( -7.318 -2.039 -3.465) 8.349 7.523 ( 1.030 -0.425 -11.574) 11.627 7.578 ( -3.302 -0.833 9.163) 9.775 7.650 ( -3.332 -0.304 6.972) 7.733 8.716 ( 7.112 0.441 -4.812) 8.598 8.751 ( -5.691 -1.697 5.764) 8.276 8.866 ( -5.356 -0.216 6.149) 8.157 9.108 ( -20.443 -0.094 -0.981) 20.466 9.148 ( -2.783 0.209 2.466) 3.725 9.200 ( 4.323 0.001 -14.878) 15.494 9.408 ( 4.952 1.852 -0.325) 5.297 9.421 ( 15.159 0.672 1.766) 15.276 9.869 ( -29.314 -0.852 -3.940) 29.589 10.000 ( -5.148 0.657 3.581) 6.305 10.100 ( 15.386 3.053 3.419) 16.055 10.153 ( 10.603 -2.564 1.744) 11.047 11.610 ( -1.105 5.420 -5.139) 7.550 11.709 ( 1.202 -3.578 0.614) 3.824 11.887 ( -7.879 -0.060 12.345) 14.646 12.053 ( 6.477 1.317 -8.264) 10.582 12.324 ( -6.290 -1.851 14.029) 15.485 12.547 ( 0.048 -2.849 -13.412) 13.711 12.570 ( 0.657 0.282 -17.540) 17.554 12.887 ( 5.164 1.270 16.231) 17.080 14.910 ( -5.303 2.539 0.256) 5.886 14.960 ( -5.407 -2.789 0.112) 6.085 15.962 ( -1.184 1.974 -3.025) 3.801 16.011 ( 3.098 -1.145 2.691) 4.260 21.772 ( 1.275 -0.965 2.286) 2.790 22.089 ( 3.351 -1.467 -6.053) 7.072 22.396 ( -0.643 1.875 5.344) 5.700 22.609 ( 2.924 0.304 -2.388) 3.787 22.754 ( 4.193 -0.094 3.209) 5.281 22.823 ( 4.649 -0.184 -2.857) 5.460 23.555 ( -3.102 5.648 0.011) 6.444 23.655 ( -3.210 -4.868 0.375) 5.843 26.372 ( -5.700 -1.228 -1.156) 5.945 26.565 ( -3.398 0.911 1.710) 3.911 27.848 ( -5.062 -0.638 2.766) 5.803 27.989 ( 1.542 0.739 -3.204) 3.632 ======================= Grid point 235 (104/117) ======================= q-point: (-0.60 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -6.987 6.782 -4.023) 10.536 2.022 ( -5.615 1.509 2.010) 6.152 2.207 ( 5.681 0.823 4.040) 7.019 2.374 ( 8.107 1.444 1.457) 8.363 2.704 ( 3.973 -0.795 2.029) 4.531 2.794 ( 0.594 -3.492 -0.234) 3.550 3.081 ( -0.137 0.492 0.753) 0.910 3.157 ( -5.656 8.160 -1.303) 10.014 3.242 ( 8.192 2.566 0.153) 8.586 3.254 ( 1.028 -0.543 -2.647) 2.891 3.394 ( -3.649 5.420 7.652) 10.062 3.468 ( 3.399 3.235 -3.373) 5.779 3.477 ( 3.130 -6.709 -2.600) 7.847 3.612 ( -1.797 2.560 -0.625) 3.190 3.805 ( 0.370 -5.852 -4.530) 7.409 3.931 ( -1.582 -5.642 2.221) 6.266 3.964 ( -1.334 -8.158 -1.243) 8.359 4.069 ( -5.047 -2.986 4.326) 7.287 4.446 ( 1.975 4.172 -2.792) 5.394 4.508 ( 0.154 1.651 0.776) 1.831 4.606 ( -0.333 6.153 4.897) 7.871 4.645 ( 3.539 7.288 -3.199) 8.710 4.808 ( 4.321 0.128 -2.640) 5.065 4.855 ( 3.553 3.978 1.769) 5.619 5.268 ( 0.412 -4.543 -1.306) 4.744 5.362 ( 0.980 -2.569 -6.524) 7.080 5.431 ( -11.335 1.429 6.076) 12.940 5.598 ( -6.707 2.584 -5.092) 8.809 5.870 ( -5.756 -0.446 0.916) 5.846 5.978 ( -10.081 -0.518 -0.088) 10.095 6.267 ( 0.733 0.983 4.663) 4.822 6.299 ( 6.806 1.959 -0.930) 7.143 7.294 ( -5.985 -5.185 -4.218) 8.972 7.449 ( -8.757 -0.461 2.717) 9.181 7.538 ( -2.929 -2.923 -7.020) 8.149 7.608 ( -2.705 -1.900 9.928) 10.464 8.486 ( -22.611 1.549 2.011) 22.753 8.576 ( -32.689 -1.312 0.920) 32.728 8.627 ( -13.397 -1.367 2.866) 13.768 8.806 ( -8.478 -1.664 -4.972) 9.968 9.084 ( -14.847 -0.963 -4.306) 15.489 9.133 ( -9.556 -2.156 -0.462) 9.807 9.429 ( 6.194 1.770 -0.052) 6.442 9.511 ( -14.344 0.402 6.272) 15.660 9.590 ( 0.239 0.627 -9.201) 9.225 9.780 ( 14.102 -0.090 6.858) 15.681 10.590 ( 31.776 0.955 1.909) 31.847 10.821 ( 38.772 0.526 -1.634) 38.810 11.520 ( -2.583 3.206 -7.159) 8.259 11.713 ( -6.089 -4.950 5.207) 9.417 11.792 ( 0.223 2.030 8.016) 8.272 12.055 ( -3.641 5.408 1.667) 6.729 12.286 ( -2.088 -5.609 2.894) 6.648 12.456 ( -5.826 -5.750 -14.141) 16.340 12.658 ( 3.393 1.199 -12.591) 13.095 12.945 ( 2.587 3.369 14.483) 15.093 14.710 ( -13.399 -0.717 5.376) 14.455 14.883 ( -7.059 -2.689 -3.842) 8.475 15.941 ( 0.454 0.822 -4.005) 4.114 16.098 ( 5.208 0.665 3.129) 6.112 21.814 ( 2.070 -1.178 3.528) 4.257 22.150 ( 1.211 -1.537 -10.424) 10.606 22.354 ( -1.046 2.799 6.574) 7.221 22.647 ( 1.512 1.531 -2.321) 3.165 22.793 ( 0.855 1.688 3.434) 3.921 22.843 ( -1.060 2.125 0.029) 2.375 23.584 ( 10.603 2.890 0.014) 10.990 23.748 ( 8.193 -4.725 -0.800) 9.492 26.205 ( -15.384 -3.500 -1.617) 15.860 26.382 ( -16.062 -0.321 2.077) 16.199 27.823 ( 0.797 -1.217 1.474) 2.070 28.016 ( 2.611 0.386 -2.000) 3.312 ======================= Grid point 236 (105/117) ======================= q-point: (-0.50 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -6.302 6.767 -0.910) 9.292 1.927 ( -1.944 2.589 2.433) 4.051 2.293 ( 4.649 3.185 4.393) 7.145 2.507 ( 6.719 0.960 0.644) 6.818 2.721 ( -6.574 1.315 -6.075) 9.047 2.777 ( -0.997 0.993 -0.037) 1.407 2.937 ( -1.523 15.181 -0.671) 15.272 3.074 ( -0.343 1.928 2.121) 2.887 3.174 ( -4.719 1.487 0.372) 4.962 3.283 ( -7.248 3.741 1.750) 8.342 3.372 ( 6.832 3.245 2.977) 8.129 3.504 ( 3.305 3.478 -5.297) 7.147 3.565 ( 0.251 1.435 0.449) 1.525 3.665 ( 6.614 -7.568 3.656) 10.695 3.850 ( -2.102 -6.538 -7.881) 10.454 3.942 ( -0.723 -6.280 -4.575) 7.803 3.994 ( -6.868 -4.508 1.388) 8.332 4.070 ( 1.317 -8.570 4.992) 10.005 4.384 ( -0.324 10.961 -3.184) 11.419 4.460 ( -1.729 6.842 4.542) 8.392 4.507 ( -4.571 7.257 4.716) 9.788 4.586 ( 0.534 6.504 -1.467) 6.688 4.804 ( -2.133 5.637 -2.176) 6.408 4.860 ( 1.288 6.782 2.576) 7.368 5.185 ( -13.189 -1.009 -2.400) 13.444 5.281 ( -7.495 4.263 -1.179) 8.703 5.414 ( 1.769 -8.216 -6.555) 10.658 5.480 ( -5.168 -5.027 -0.361) 7.219 5.740 ( -14.730 0.067 3.523) 15.145 5.750 ( -8.645 -0.308 0.391) 8.660 6.249 ( -1.829 -0.577 9.280) 9.476 6.416 ( 8.201 1.317 -7.374) 11.107 7.243 ( -8.446 -3.669 -0.411) 9.217 7.278 ( -9.789 -3.808 -1.141) 10.566 7.495 ( -4.955 -2.001 -3.618) 6.453 7.584 ( -4.847 -2.073 5.466) 7.594 7.969 ( -27.007 -2.357 -3.314) 27.311 8.091 ( -22.345 -0.340 4.055) 22.712 8.402 ( -15.607 -3.707 -0.316) 16.044 8.595 ( -14.516 -0.532 4.830) 15.308 8.792 ( -16.793 -1.552 -0.326) 16.867 8.890 ( -17.276 -5.021 -1.795) 18.080 9.467 ( 3.903 -0.879 4.116) 5.741 9.574 ( 9.886 -1.215 -1.196) 10.032 9.705 ( 10.520 0.155 -11.670) 15.712 10.034 ( 13.796 0.027 7.262) 15.591 10.987 ( 9.738 -1.672 -1.891) 10.060 11.213 ( -0.249 -0.468 2.481) 2.537 11.566 ( 7.281 2.365 -3.944) 8.612 11.740 ( 10.546 0.344 6.007) 12.141 11.885 ( -4.316 0.204 3.999) 5.887 11.916 ( 13.392 0.403 -3.468) 13.840 12.253 ( -6.703 -4.091 2.529) 8.250 12.519 ( 9.006 -2.153 -9.405) 13.199 12.659 ( -1.294 -0.399 -8.449) 8.557 12.914 ( -2.563 4.397 10.190) 11.391 14.497 ( -12.133 -2.699 4.698) 13.288 14.784 ( -6.501 -3.337 -2.518) 7.729 15.943 ( -0.082 0.028 -2.446) 2.447 16.161 ( 2.469 1.252 1.369) 3.088 21.861 ( 2.036 -0.468 4.147) 4.643 22.130 ( -3.732 -0.661 -9.369) 10.106 22.325 ( 0.079 3.334 3.270) 4.671 22.588 ( -7.372 1.089 0.388) 7.462 22.773 ( 1.789 6.229 -1.282) 6.607 22.799 ( -0.663 3.072 3.854) 4.973 23.830 ( 17.157 -0.484 -0.364) 17.168 23.997 ( 13.893 -4.980 -0.364) 14.763 25.915 ( -20.997 -5.357 -1.948) 21.757 26.054 ( -21.616 -2.876 2.291) 21.926 27.878 ( 3.903 -0.760 -0.400) 3.997 28.078 ( 4.071 -1.150 -0.383) 4.248 ======================= Grid point 237 (106/117) ======================= q-point: (-0.40 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.084 8.435 4.001) 9.336 1.906 ( 0.701 2.180 -0.419) 2.328 2.272 ( -1.208 10.893 11.797) 16.102 2.474 ( -7.460 12.759 -12.006) 19.042 2.537 ( -1.746 11.344 0.387) 11.484 2.759 ( -1.495 0.646 -1.033) 1.929 2.846 ( 0.658 1.331 3.096) 3.434 3.004 ( -12.658 5.680 -3.224) 14.243 3.075 ( 0.330 1.891 -3.773) 4.233 3.114 ( -4.468 -0.794 2.722) 5.292 3.396 ( -1.876 4.012 4.707) 6.463 3.480 ( -1.502 5.426 -8.473) 10.173 3.618 ( 5.924 2.406 1.455) 6.557 3.765 ( -2.177 1.740 0.510) 2.833 3.843 ( 2.971 -0.715 -1.895) 3.595 3.915 ( -2.606 0.339 -0.816) 2.751 4.025 ( -0.728 -5.375 -1.141) 5.542 4.105 ( -4.251 -1.506 -0.176) 4.514 4.272 ( -0.544 9.567 -2.855) 9.999 4.331 ( -1.873 7.866 6.091) 10.123 4.407 ( 0.315 2.808 4.130) 5.004 4.555 ( 0.327 1.789 -0.006) 1.818 4.677 ( -4.197 5.676 -0.707) 7.094 4.801 ( -2.547 3.330 1.006) 4.312 4.947 ( -14.813 -3.035 -4.984) 15.921 5.056 ( -11.392 3.563 1.213) 11.998 5.354 ( -12.145 -2.063 1.013) 12.360 5.450 ( -12.144 -1.351 0.739) 12.241 5.597 ( 2.529 -6.287 -4.336) 8.045 5.677 ( -1.120 -3.337 2.938) 4.585 6.237 ( -1.208 -2.136 9.443) 9.757 6.562 ( 9.448 -0.327 -11.042) 14.536 6.967 ( -20.518 -0.367 2.331) 20.653 7.201 ( -8.355 -1.505 -1.917) 8.703 7.330 ( -11.370 -3.062 -1.998) 11.943 7.465 ( -4.681 -0.130 4.163) 6.266 7.733 ( -8.855 -4.079 -4.389) 10.692 7.919 ( -0.476 -6.076 5.055) 7.918 8.143 ( -16.144 -3.155 -2.838) 16.692 8.389 ( -11.481 -5.247 9.377) 15.725 8.537 ( -14.007 -1.830 1.697) 14.228 8.640 ( -16.673 -5.966 -5.085) 18.424 9.605 ( 9.391 -2.914 1.396) 9.931 9.776 ( 11.161 -2.050 0.488) 11.358 9.912 ( 11.513 -1.699 -7.164) 13.666 10.247 ( 9.080 -0.488 0.517) 9.108 11.035 ( -4.496 -5.531 -1.128) 7.216 11.096 ( -10.690 -4.503 3.016) 11.986 11.570 ( -0.945 2.808 0.141) 2.966 11.696 ( -9.129 2.319 1.420) 9.526 11.929 ( 6.916 0.863 -3.920) 7.997 12.113 ( -7.279 -1.913 4.607) 8.824 12.427 ( 24.699 2.132 -2.271) 24.895 12.608 ( 4.773 1.106 -2.292) 5.409 12.787 ( -2.505 1.958 5.419) 6.283 12.860 ( 17.073 -2.616 -4.158) 17.765 14.343 ( -8.559 -3.265 1.738) 9.324 14.711 ( -5.650 -2.522 0.430) 6.202 15.933 ( -1.102 -0.690 -0.160) 1.310 16.157 ( -1.535 1.324 -0.954) 2.241 21.883 ( 0.291 1.581 4.169) 4.468 22.052 ( -5.330 -1.178 -5.455) 7.718 22.257 ( -5.523 2.394 -1.926) 6.321 22.416 ( -9.931 -0.567 1.981) 10.143 22.729 ( 1.014 8.979 -5.119) 10.385 22.765 ( 0.290 4.664 7.055) 8.462 24.156 ( 17.155 -2.792 -1.414) 17.438 24.293 ( 13.347 -5.344 1.516) 14.457 25.598 ( -19.309 -5.129 -0.851) 19.997 25.708 ( -20.598 -4.133 0.880) 21.027 27.967 ( 5.835 -0.199 -2.918) 6.527 28.173 ( 3.934 -3.272 1.513) 5.336 ======================= Grid point 238 (107/117) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 2.186 11.490 7.837) 14.079 1.796 ( -12.764 5.864 -6.309) 15.399 2.090 ( -2.577 18.460 12.485) 22.434 2.180 ( -6.498 19.996 -9.827) 23.208 2.385 ( 2.048 13.267 2.587) 13.671 2.614 ( -9.352 10.284 -0.547) 13.911 2.842 ( 0.535 -1.449 -3.526) 3.849 2.897 ( -0.856 -4.628 1.523) 4.947 3.042 ( -0.859 6.418 -1.408) 6.627 3.092 ( 0.390 -0.387 -2.791) 2.844 3.248 ( -7.127 2.738 5.108) 9.186 3.329 ( -8.435 8.277 -8.688) 14.668 3.678 ( 1.514 10.480 10.503) 14.914 3.683 ( 4.403 10.953 -8.820) 14.736 3.852 ( 1.138 7.051 2.678) 7.627 3.886 ( 0.959 4.983 -0.426) 5.092 3.998 ( -2.454 1.227 -3.735) 4.634 4.030 ( -0.047 0.269 -0.681) 0.734 4.217 ( 0.138 0.689 -3.052) 3.131 4.297 ( -0.534 -0.880 6.011) 6.098 4.463 ( 4.021 -3.221 0.822) 5.217 4.577 ( 1.820 -1.666 0.871) 2.617 4.597 ( -2.121 -2.031 -0.098) 2.938 4.695 ( -7.703 0.147 4.010) 8.685 4.745 ( -10.321 -2.045 -2.861) 10.904 4.846 ( -10.864 -0.046 -1.324) 10.944 5.184 ( -6.390 -0.342 4.369) 7.748 5.244 ( -8.539 1.228 -3.925) 9.478 5.696 ( 1.995 -3.444 0.703) 4.042 5.716 ( 1.175 -2.471 -0.536) 2.789 6.257 ( 1.433 -2.543 3.158) 4.301 6.606 ( -18.591 -1.228 5.628) 19.463 6.760 ( 11.162 -2.831 -13.659) 17.866 7.069 ( -5.790 -2.929 1.608) 6.685 7.268 ( -0.596 -1.709 4.112) 4.493 7.440 ( -1.404 -3.329 2.452) 4.366 7.634 ( -4.261 0.189 -3.714) 5.656 7.895 ( -11.178 -3.052 -2.849) 11.932 8.076 ( 5.574 -7.296 2.453) 9.503 8.282 ( -8.001 -7.948 8.724) 14.258 8.344 ( -9.728 -2.909 4.377) 11.057 8.425 ( -13.003 -6.695 -9.433) 17.404 9.836 ( 12.270 -3.963 -1.544) 12.986 10.005 ( 12.370 -2.397 1.552) 12.696 10.083 ( 4.032 -2.340 0.297) 4.671 10.336 ( -0.679 -2.054 -4.683) 5.159 10.952 ( -5.959 -5.072 -1.603) 7.988 11.038 ( -4.813 -7.430 0.766) 8.885 11.510 ( -3.336 2.064 6.907) 7.943 11.552 ( -4.284 0.784 -2.633) 5.089 11.970 ( 0.337 1.714 -3.392) 3.815 12.001 ( -4.494 1.408 3.865) 6.092 12.532 ( 1.475 1.196 -5.130) 5.470 12.647 ( -4.516 2.961 2.552) 5.973 13.001 ( 22.711 -1.250 3.461) 23.007 13.225 ( 15.709 -0.763 -2.469) 15.920 14.272 ( -1.338 -2.736 -2.086) 3.691 14.594 ( -10.487 -1.389 3.348) 11.096 15.936 ( 1.350 -0.603 1.910) 2.415 16.089 ( -4.541 1.000 -2.868) 5.463 21.838 ( -2.246 2.858 2.301) 4.302 21.946 ( -9.048 -2.324 -0.282) 9.346 22.148 ( -2.391 0.027 -4.708) 5.280 22.274 ( -7.917 -2.084 1.333) 8.295 22.657 ( 1.310 9.933 -6.378) 11.877 22.708 ( -1.108 7.325 7.976) 10.886 24.453 ( 11.974 -4.251 -3.228) 13.109 24.531 ( 7.121 -5.279 4.265) 9.837 25.357 ( -11.183 -2.148 2.132) 11.586 25.425 ( -14.389 -2.645 -2.481) 14.839 28.093 ( 7.928 -1.474 -5.416) 9.714 28.259 ( 0.549 -5.216 3.376) 6.237 ======================= Grid point 239 (108/117) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -7.239 12.507 -18.382) 23.382 1.438 ( 7.239 12.507 18.382) 23.382 1.902 ( 0.454 22.071 -23.818) 32.475 1.902 ( -0.454 22.071 23.818) 32.475 2.375 ( -6.641 11.784 -1.051) 13.567 2.375 ( 6.641 11.784 1.051) 13.567 2.886 ( -0.330 -1.401 -7.526) 7.662 2.886 ( 0.330 -1.401 7.526) 7.662 2.978 ( 4.343 13.745 -20.654) 25.186 2.978 ( -4.343 13.745 20.654) 25.186 3.194 ( -1.123 -2.705 -3.042) 4.222 3.194 ( 1.123 -2.705 3.042) 4.222 3.596 ( -1.713 11.305 -12.144) 16.679 3.596 ( 1.713 11.305 12.144) 16.679 3.824 ( 0.501 5.407 -4.929) 7.333 3.824 ( -0.501 5.407 4.929) 7.333 4.015 ( 2.334 -0.061 -6.542) 6.946 4.015 ( -2.334 -0.061 6.542) 6.946 4.283 ( 4.331 -3.765 -7.087) 9.119 4.283 ( -4.331 -3.765 7.087) 9.119 4.575 ( 3.593 -0.542 -3.862) 5.303 4.575 ( -3.593 -0.542 3.862) 5.303 4.618 ( -0.775 -2.839 -5.453) 6.196 4.618 ( 0.775 -2.839 5.453) 6.196 4.680 ( -4.171 -1.129 -4.428) 6.187 4.680 ( 4.171 -1.129 4.428) 6.187 5.156 ( -0.748 -1.323 -8.173) 8.314 5.156 ( 0.748 -1.323 8.173) 8.314 5.735 ( -0.392 -0.449 -5.234) 5.268 5.735 ( 0.392 -0.449 5.234) 5.268 6.368 ( 2.557 -1.899 -1.855) 3.686 6.368 ( -2.557 -1.899 1.855) 3.686 6.992 ( 9.583 -5.493 -10.337) 15.128 6.992 ( -9.583 -5.493 10.337) 15.128 7.360 ( -8.900 -2.436 -4.042) 10.074 7.360 ( 8.900 -2.436 4.042) 10.074 7.698 ( 2.836 1.625 -6.695) 7.450 7.698 ( -2.836 1.625 6.695) 7.450 8.269 ( -1.494 -7.980 -3.086) 8.686 8.269 ( 1.494 -7.980 3.086) 8.686 8.302 ( -4.594 -4.711 -8.015) 10.370 8.302 ( 4.594 -4.711 8.015) 10.370 10.059 ( -1.760 -2.730 -2.265) 3.960 10.059 ( 1.760 -2.730 2.265) 3.960 10.252 ( -6.025 -3.007 -6.485) 9.349 10.252 ( 6.025 -3.007 6.485) 9.349 10.999 ( 3.888 -5.183 -6.089) 8.891 10.999 ( -3.888 -5.183 6.089) 8.891 11.491 ( -2.323 0.286 -11.515) 11.751 11.491 ( 2.323 0.286 11.515) 11.751 11.948 ( 0.107 1.783 -5.777) 6.047 11.948 ( -0.107 1.783 5.777) 6.047 12.559 ( 1.384 2.035 -9.510) 9.823 12.559 ( -1.384 2.035 9.510) 9.823 13.301 ( -8.122 -0.559 -2.254) 8.448 13.301 ( 8.122 -0.559 2.254) 8.448 14.391 ( -4.025 -1.913 0.673) 4.507 14.391 ( 4.025 -1.913 -0.673) 4.507 15.995 ( -4.288 0.222 -2.937) 5.202 15.995 ( 4.288 0.222 2.937) 5.202 21.825 ( -3.307 0.080 -1.419) 3.600 21.825 ( 3.307 0.080 1.419) 3.600 22.180 ( 3.634 -1.842 -4.166) 5.827 22.180 ( -3.634 -1.842 4.166) 5.827 22.600 ( 2.181 8.734 -11.031) 14.238 22.600 ( -2.181 8.734 11.031) 14.238 24.624 ( 1.301 -4.647 -10.096) 11.190 24.624 ( -1.301 -4.647 10.096) 11.190 25.278 ( -1.816 0.040 -6.585) 6.831 25.278 ( 1.816 0.040 6.585) 6.831 28.259 ( 5.843 -5.031 -5.156) 9.275 28.259 ( -5.843 -5.031 5.156) 9.275 ======================= Grid point 245 (109/117) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -6.313 0.000 -4.161) 7.561 2.002 ( -5.715 0.000 0.739) 5.762 2.257 ( 6.370 -0.000 6.504) 9.103 2.399 ( 6.764 -0.000 0.948) 6.830 2.711 ( 2.094 -0.000 -5.167) 5.575 2.725 ( 3.766 -0.000 9.025) 9.779 3.073 ( 6.092 -0.000 -5.300) 8.075 3.190 ( -1.504 0.000 6.325) 6.502 3.251 ( 1.953 -0.000 -1.334) 2.365 3.268 ( 6.623 -0.000 -2.307) 7.013 3.434 ( -3.434 0.000 -7.313) 8.079 3.472 ( 3.266 -0.000 1.554) 3.617 3.557 ( -3.980 0.000 1.638) 4.304 3.615 ( -2.758 0.000 4.326) 5.130 3.713 ( -0.081 0.000 -3.003) 3.004 3.872 ( 1.689 -0.000 7.272) 7.465 3.888 ( -3.576 0.000 -9.145) 9.819 4.045 ( -4.067 0.000 4.859) 6.336 4.475 ( 2.884 -0.000 0.597) 2.945 4.510 ( 0.600 -0.000 -3.160) 3.217 4.692 ( 3.056 -0.000 6.503) 7.185 4.754 ( 4.980 -0.000 -3.979) 6.374 4.770 ( 8.112 -0.000 -2.430) 8.468 4.880 ( -0.375 0.000 -2.053) 2.087 5.226 ( -0.122 0.000 1.733) 1.737 5.334 ( 0.542 -0.000 -7.350) 7.370 5.444 ( -12.900 0.000 7.978) 15.168 5.628 ( -6.608 0.000 -7.841) 10.254 5.867 ( -5.218 0.000 0.605) 5.253 5.973 ( -9.242 0.000 0.248) 9.246 6.276 ( -0.081 0.000 5.012) 5.013 6.319 ( 6.455 -0.000 -0.535) 6.477 7.243 ( -6.631 0.000 -4.582) 8.060 7.448 ( -9.735 0.000 3.914) 10.492 7.503 ( -2.190 0.000 -9.189) 9.446 7.587 ( -3.742 0.000 12.098) 12.664 8.506 ( -20.129 0.000 2.662) 20.304 8.558 ( -33.877 0.000 0.608) 33.883 8.618 ( -14.919 0.000 1.407) 14.986 8.790 ( -7.137 0.000 -4.872) 8.641 9.074 ( -15.196 0.000 -9.986) 18.183 9.110 ( -11.007 0.000 5.472) 12.292 9.445 ( 4.202 -0.000 0.422) 4.223 9.514 ( -15.868 0.000 7.415) 17.515 9.600 ( 0.699 -0.000 -12.738) 12.757 9.779 ( 15.466 -0.000 8.576) 17.684 10.599 ( 31.009 -0.000 2.427) 31.104 10.826 ( 39.323 -0.000 -1.662) 39.358 11.566 ( -2.970 0.000 -10.802) 11.203 11.651 ( -7.130 0.000 7.240) 10.162 11.816 ( 0.083 -0.000 10.686) 10.686 12.153 ( 1.937 -0.000 -7.318) 7.570 12.189 ( -7.488 0.000 14.566) 16.378 12.389 ( -5.504 0.000 -17.786) 18.618 12.672 ( 3.558 -0.000 -13.895) 14.343 12.978 ( 2.894 -0.000 15.397) 15.667 14.705 ( -14.581 0.000 6.142) 15.822 14.857 ( -6.863 0.000 -4.657) 8.294 15.949 ( -0.146 0.000 -3.544) 3.547 16.105 ( 5.649 -0.000 2.698) 6.260 21.801 ( 2.306 -0.000 3.869) 4.504 22.134 ( 1.711 -0.000 -10.741) 10.876 22.383 ( -1.039 0.000 7.181) 7.256 22.659 ( 1.371 -0.000 -2.939) 3.243 22.812 ( 1.793 -0.000 5.717) 5.992 22.863 ( 0.595 -0.000 -2.420) 2.492 23.651 ( 8.282 -0.000 6.077) 10.272 23.664 ( 8.711 -0.000 -6.752) 11.021 26.171 ( -15.827 0.000 -1.543) 15.902 26.379 ( -17.224 0.000 2.121) 17.354 27.812 ( 1.094 -0.000 1.346) 1.734 28.020 ( 1.970 -0.000 -1.940) 2.765 ======================= Grid point 246 (110/117) ======================= q-point: (-0.60 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -5.152 5.448 -2.636) 7.948 1.921 ( -3.645 -2.387 1.266) 4.537 2.357 ( 5.329 3.703 3.897) 7.570 2.509 ( 5.128 -0.632 -1.399) 5.353 2.748 ( -0.195 1.031 2.007) 2.265 2.764 ( 1.077 -1.120 -2.044) 2.567 3.128 ( 1.728 4.136 6.099) 7.569 3.156 ( 1.004 5.552 -0.560) 5.669 3.240 ( -3.037 3.341 -2.136) 4.995 3.335 ( -4.642 1.895 2.845) 5.764 3.417 ( -0.306 -9.060 -7.469) 11.746 3.465 ( 4.573 6.700 2.108) 8.382 3.533 ( -0.662 -3.091 3.939) 5.050 3.608 ( 4.575 0.406 -2.102) 5.051 3.735 ( -1.998 -5.420 -4.736) 7.470 3.875 ( 1.114 -0.745 -5.058) 5.233 3.907 ( -1.860 -4.348 1.772) 5.050 3.997 ( 0.116 -0.365 6.529) 6.540 4.493 ( -0.307 1.869 -2.049) 2.790 4.511 ( -0.459 0.062 1.755) 1.815 4.641 ( -2.615 6.936 4.670) 8.761 4.738 ( -1.703 6.307 -1.630) 6.734 4.871 ( 0.911 2.261 -2.864) 3.761 4.953 ( 4.764 0.041 0.405) 4.781 5.183 ( -10.288 1.445 0.365) 10.395 5.243 ( -4.162 -4.823 0.604) 6.399 5.334 ( -1.621 -2.086 -5.432) 6.040 5.459 ( -10.471 2.132 -6.043) 12.276 5.736 ( -10.966 -0.411 -2.199) 11.192 5.742 ( -15.014 -0.429 6.623) 16.415 6.245 ( -2.658 -0.018 8.715) 9.111 6.434 ( 7.173 0.570 -5.229) 8.895 7.158 ( -4.287 -3.133 -4.401) 6.897 7.252 ( -13.080 -0.474 1.325) 13.156 7.461 ( -3.510 -1.206 -3.557) 5.140 7.544 ( -2.566 -1.581 8.231) 8.766 7.943 ( -31.491 -0.609 -2.684) 31.611 8.085 ( -24.072 -0.234 4.131) 24.425 8.368 ( -14.789 -0.514 -3.304) 15.162 8.597 ( -14.280 0.379 4.635) 15.018 8.773 ( -17.381 0.010 -1.816) 17.475 8.808 ( -18.435 -3.501 -0.452) 18.770 9.460 ( 3.273 -0.093 3.400) 4.721 9.553 ( 7.778 -0.753 -0.156) 7.816 9.713 ( 9.803 0.309 -11.613) 15.200 10.036 ( 13.426 0.109 8.082) 15.671 10.963 ( 6.433 -0.744 -1.738) 6.705 11.207 ( -3.653 -0.176 3.151) 4.827 11.613 ( 9.924 2.083 -7.521) 12.625 11.744 ( 14.972 0.090 7.142) 16.588 11.833 ( 7.693 -2.423 4.645) 9.308 12.006 ( -5.885 6.169 -4.370) 9.581 12.149 ( -3.989 -6.539 3.828) 8.563 12.469 ( 12.734 -1.920 -8.640) 15.507 12.673 ( -2.239 0.836 -9.395) 9.694 12.973 ( -3.367 1.766 10.625) 11.285 14.466 ( -12.333 -0.818 4.339) 13.100 14.742 ( -5.603 -1.171 -2.067) 6.086 15.944 ( -0.720 0.011 -1.749) 1.891 16.179 ( 2.605 0.585 0.594) 2.735 21.849 ( 2.462 -0.494 4.430) 5.092 22.121 ( -2.667 -0.338 -10.220) 10.568 22.371 ( -0.693 1.467 4.932) 5.192 22.598 ( -8.573 0.146 -0.585) 8.595 22.830 ( 1.186 1.336 6.717) 6.951 22.880 ( 3.212 3.184 -4.525) 6.398 23.843 ( 15.107 1.978 0.832) 15.258 23.906 ( 13.751 -4.514 -1.479) 14.548 25.845 ( -20.899 -2.050 -1.736) 21.071 26.017 ( -22.636 -1.048 2.244) 22.771 27.869 ( 4.595 -0.265 -0.516) 4.632 28.064 ( 2.926 -0.407 -0.171) 2.959 ======================= Grid point 247 (111/117) ======================= q-point: (-0.50 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 3.173 8.745 1.065) 9.363 1.920 ( 0.743 -0.972 1.049) 1.612 2.384 ( 0.777 1.977 6.986) 7.302 2.556 ( -2.018 0.327 -6.317) 6.639 2.689 ( -0.252 5.171 -1.837) 5.494 2.766 ( -1.785 0.710 -0.494) 1.983 3.023 ( -7.396 12.408 -0.732) 14.464 3.105 ( 0.144 6.651 3.482) 7.508 3.155 ( -5.624 3.959 1.562) 7.053 3.158 ( -3.170 5.994 -1.976) 7.062 3.450 ( -1.653 -0.182 2.514) 3.015 3.514 ( -2.189 -3.305 -3.349) 5.189 3.592 ( 3.915 -5.325 -2.593) 7.100 3.721 ( 0.442 -3.627 -1.738) 4.046 3.769 ( 6.486 -3.945 -0.955) 7.652 3.865 ( -2.658 -3.160 1.938) 4.562 3.948 ( 5.200 -0.131 -5.931) 7.889 4.052 ( 1.645 -2.591 6.234) 6.948 4.437 ( -2.488 4.007 -3.224) 5.713 4.475 ( -2.159 3.164 4.502) 5.911 4.513 ( -2.621 8.784 3.989) 9.997 4.642 ( -1.039 7.071 -0.062) 7.147 4.799 ( -5.292 2.387 -4.547) 7.374 4.887 ( -7.741 6.384 3.295) 10.561 4.954 ( -10.254 6.157 -4.306) 12.712 5.152 ( -11.333 5.647 -1.017) 12.703 5.301 ( -7.862 -2.802 0.796) 8.384 5.359 ( -1.205 -6.847 -1.025) 7.027 5.505 ( -8.007 -3.836 -0.715) 8.908 5.603 ( -5.186 -4.642 1.710) 7.167 6.213 ( -1.304 -0.537 8.876) 8.987 6.561 ( 7.802 0.082 -8.189) 11.310 6.958 ( -20.714 -0.470 1.211) 20.755 7.144 ( -2.101 -3.821 -2.295) 4.928 7.295 ( -16.287 -0.835 -1.993) 16.430 7.472 ( -4.757 0.930 3.680) 6.085 7.647 ( -5.944 -4.965 -3.492) 8.496 7.820 ( -5.914 -4.196 8.400) 11.097 8.104 ( -14.955 -1.001 -7.365) 16.701 8.329 ( -15.023 -1.272 9.705) 17.930 8.503 ( -14.397 -1.669 0.905) 14.522 8.539 ( -16.430 -4.562 -4.777) 17.708 9.566 ( 8.097 -1.227 0.249) 8.193 9.726 ( 9.818 -2.741 0.915) 10.235 9.897 ( 10.720 -0.334 -5.131) 11.889 10.241 ( 8.678 -0.169 0.839) 8.720 10.945 ( -6.193 -3.776 -1.096) 7.336 11.028 ( -13.014 -2.692 2.506) 13.524 11.634 ( -2.554 3.969 0.484) 4.745 11.733 ( -9.295 1.306 -2.090) 9.616 11.927 ( 5.703 -0.591 -2.794) 6.378 12.055 ( -2.873 -3.840 4.896) 6.853 12.455 ( 29.448 0.892 1.260) 29.488 12.598 ( -2.313 -1.491 -3.463) 4.423 12.821 ( 17.467 1.219 -0.485) 17.516 12.850 ( -1.518 1.010 0.904) 2.035 14.301 ( -7.535 -1.394 -0.368) 7.672 14.679 ( -3.654 -0.946 2.519) 4.538 15.923 ( -1.327 -0.366 0.864) 1.625 16.180 ( -1.618 1.024 -2.085) 2.831 21.889 ( 0.930 -0.424 4.235) 4.357 22.052 ( -4.781 0.524 -6.273) 7.905 22.291 ( -7.333 1.661 -0.898) 7.572 22.398 ( -12.555 -1.255 1.658) 12.726 22.839 ( 2.058 3.731 7.847) 8.930 22.893 ( 3.321 7.045 -6.150) 9.924 24.117 ( 15.404 -1.225 -0.803) 15.474 24.194 ( 13.085 -5.093 0.678) 14.057 25.519 ( -17.501 -3.196 -1.054) 17.822 25.651 ( -19.546 -2.055 1.265) 19.695 27.963 ( 5.756 -0.178 -2.496) 6.276 28.126 ( 2.769 -1.735 1.757) 3.710 ======================= Grid point 248 (112/117) ======================= q-point: (-0.40 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 4.443 11.348 4.901) 13.135 1.885 ( -6.038 3.754 -2.594) 7.569 2.355 ( -0.033 7.589 14.887) 16.710 2.434 ( -3.681 9.696 -13.931) 17.367 2.621 ( -2.666 9.421 1.060) 9.848 2.694 ( -3.424 0.912 0.435) 3.570 2.845 ( -2.511 1.397 -5.048) 5.808 2.912 ( -6.595 6.897 -0.049) 9.543 3.092 ( 0.539 1.793 1.181) 2.214 3.126 ( 0.621 4.392 -1.438) 4.663 3.348 ( -4.279 6.391 9.042) 11.871 3.453 ( -4.952 3.279 -8.896) 10.696 3.717 ( 4.221 -5.539 -3.197) 7.662 3.773 ( 1.185 -4.349 0.927) 4.602 3.874 ( 2.137 -1.530 -1.434) 2.994 3.927 ( 6.221 0.918 0.273) 6.294 4.041 ( -2.773 2.358 5.059) 6.232 4.046 ( 3.565 0.767 -5.502) 6.601 4.355 ( -1.139 7.933 -5.123) 9.512 4.381 ( -1.920 9.033 8.040) 12.245 4.444 ( 2.249 1.829 2.762) 4.004 4.589 ( 0.512 5.987 -0.975) 6.088 4.641 ( -8.182 5.870 -0.403) 10.078 4.689 ( -5.144 0.095 -6.026) 7.923 4.740 ( -9.791 2.131 6.218) 11.792 4.885 ( -11.381 4.807 -1.822) 12.488 5.191 ( -3.944 0.786 3.900) 5.602 5.266 ( -7.111 0.598 -1.877) 7.379 5.586 ( 3.495 -8.185 -2.230) 9.175 5.634 ( 0.442 -6.489 1.806) 6.750 6.222 ( 1.749 -1.201 2.908) 3.599 6.580 ( -18.518 -1.340 6.056) 19.530 6.722 ( 8.036 -1.313 -11.678) 14.237 7.024 ( -9.461 -1.832 0.405) 9.645 7.217 ( 1.451 -3.442 2.359) 4.418 7.398 ( -4.410 -1.054 1.175) 4.684 7.627 ( -0.246 -1.432 0.716) 1.620 7.821 ( -6.743 -5.192 -1.014) 8.570 7.950 ( 0.021 -5.241 -3.750) 6.444 8.138 ( -10.413 -6.343 9.111) 15.221 8.296 ( -10.736 -2.618 0.269) 11.054 8.321 ( -11.925 -4.516 -4.227) 13.434 9.765 ( 11.592 -3.342 -3.256) 12.496 9.937 ( 9.186 -4.533 2.917) 10.650 10.056 ( 5.789 -0.830 4.322) 7.273 10.308 ( -2.066 -1.042 -7.472) 7.822 10.862 ( -6.286 -4.334 -1.221) 7.732 10.907 ( -4.621 -6.369 0.159) 7.870 11.546 ( -4.074 1.687 2.826) 5.237 11.570 ( -6.128 1.044 0.624) 6.248 11.990 ( 1.215 0.378 -3.416) 3.645 12.018 ( -2.369 0.523 4.061) 4.730 12.529 ( -0.831 -1.164 -2.136) 2.570 12.672 ( -8.349 0.022 1.222) 8.438 12.993 ( 24.963 0.339 0.854) 24.980 13.228 ( 17.220 0.806 -0.354) 17.242 14.237 ( 0.364 -1.099 -5.785) 5.900 14.581 ( -9.382 -0.112 6.221) 11.258 15.928 ( 2.103 -0.271 3.712) 4.275 16.109 ( -4.934 1.033 -4.557) 6.795 21.874 ( -2.995 0.381 3.421) 4.563 21.927 ( -7.964 0.723 -2.827) 8.482 22.150 ( -4.409 0.224 -3.410) 5.578 22.230 ( -8.314 -2.472 1.715) 8.842 22.828 ( 2.025 7.635 5.937) 9.882 22.858 ( 1.236 8.797 -4.749) 10.073 24.376 ( 10.571 -3.843 -2.654) 11.557 24.430 ( 7.281 -5.481 3.130) 9.636 25.313 ( -8.449 -2.325 0.059) 8.763 25.386 ( -12.099 -1.531 -0.250) 12.198 28.070 ( 5.906 -0.991 -4.426) 7.447 28.182 ( 0.369 -3.168 3.648) 4.846 ======================= Grid point 249 (113/117) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -4.984 10.980 -13.575) 18.157 1.657 ( 4.984 10.980 13.575) 18.157 2.254 ( -1.461 15.854 -20.726) 26.135 2.254 ( 1.461 15.854 20.726) 26.135 2.572 ( -4.771 8.980 -1.106) 10.229 2.572 ( 4.771 8.980 1.106) 10.229 2.842 ( 0.728 -2.268 -8.300) 8.635 2.842 ( -0.728 -2.268 8.300) 8.635 3.103 ( 0.437 0.054 -2.683) 2.719 3.103 ( -0.437 0.054 2.683) 2.719 3.277 ( -4.544 10.453 -13.422) 17.609 3.277 ( 4.544 10.453 13.422) 17.609 3.796 ( -0.746 3.458 -5.454) 6.500 3.796 ( 0.746 3.458 5.454) 6.500 3.910 ( -0.408 2.986 -2.573) 3.963 3.910 ( 0.408 2.986 2.573) 3.963 4.022 ( -1.929 2.857 -4.624) 5.767 4.022 ( 1.929 2.857 4.624) 5.767 4.278 ( 2.428 6.481 -9.015) 11.365 4.278 ( -2.428 6.481 9.015) 11.365 4.513 ( 0.710 -3.364 -4.687) 5.813 4.513 ( -0.710 -3.364 4.687) 5.813 4.607 ( 0.833 1.059 -8.871) 8.973 4.607 ( -0.833 1.059 8.871) 8.973 4.688 ( -3.663 1.466 -6.157) 7.312 4.688 ( 3.663 1.466 6.157) 7.312 5.165 ( -1.629 1.895 -5.294) 5.854 5.165 ( 1.629 1.895 5.294) 5.854 5.687 ( -0.227 -4.987 -5.116) 7.148 5.687 ( 0.227 -4.987 5.116) 7.148 6.333 ( -1.587 -1.749 0.010) 2.362 6.333 ( 1.587 -1.749 -0.010) 2.362 6.904 ( 8.896 -3.919 -7.652) 12.372 6.904 ( -8.896 -3.919 7.652) 12.372 7.313 ( -6.341 -2.527 -3.335) 7.597 7.313 ( 6.341 -2.527 3.335) 7.597 7.705 ( -1.681 -0.756 -8.045) 8.253 7.705 ( 1.681 -0.756 8.045) 8.253 8.090 ( -0.512 -9.848 -3.827) 10.578 8.090 ( 0.512 -9.848 3.827) 10.578 8.229 ( 0.626 -3.749 -11.600) 12.206 8.229 ( -0.626 -3.749 11.600) 12.206 9.993 ( 4.140 -4.475 -4.988) 7.877 9.993 ( -4.140 -4.475 4.988) 7.877 10.204 ( -8.650 -1.893 -8.711) 12.422 10.204 ( 8.650 -1.893 8.711) 12.422 10.893 ( 1.371 -5.976 -4.846) 7.815 10.893 ( -1.371 -5.976 4.846) 7.815 11.502 ( -1.101 0.734 -12.927) 12.995 11.502 ( 1.101 0.734 12.927) 12.995 11.983 ( 0.051 1.821 -4.105) 4.492 11.983 ( -0.051 1.821 4.105) 4.492 12.569 ( 0.203 -0.898 -7.968) 8.021 12.569 ( -0.203 -0.898 7.968) 8.021 13.302 ( -8.432 0.567 0.021) 8.451 13.302 ( 8.432 0.567 -0.021) 8.451 14.369 ( 12.702 -0.490 -7.306) 14.662 14.369 ( -12.702 -0.490 7.306) 14.662 16.002 ( -5.302 0.469 -5.039) 7.329 16.002 ( 5.302 0.469 5.039) 7.329 21.830 ( -0.881 0.469 -2.117) 2.340 21.830 ( 0.881 0.469 2.117) 2.340 22.149 ( 2.054 -1.488 -4.199) 4.906 22.149 ( -2.054 -1.488 4.199) 4.906 22.774 ( 0.322 9.658 -9.473) 13.532 22.774 ( -0.322 9.658 9.473) 13.532 24.531 ( 0.800 -5.249 -11.835) 12.972 24.531 ( -0.800 -5.249 11.835) 12.972 25.268 ( -0.722 -0.921 -5.543) 5.665 25.268 ( 0.722 -0.921 5.543) 5.665 28.182 ( 3.937 -3.342 -5.342) 7.430 28.182 ( -3.937 -3.342 5.342) 7.430 ======================= Grid point 257 (114/117) ======================= q-point: (-0.60 0.40 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 5.020 -0.000 -1.799) 5.332 1.886 ( 0.902 -0.000 2.937) 3.072 2.395 ( -2.551 0.000 6.463) 6.948 2.553 ( 1.964 -0.000 -6.253) 6.554 2.737 ( -2.097 0.000 -1.146) 2.390 2.778 ( -0.875 0.000 0.257) 0.912 3.172 ( -11.014 0.000 3.803) 11.652 3.172 ( -8.103 0.000 -6.188) 10.196 3.228 ( 5.162 -0.000 8.751) 10.160 3.262 ( 3.604 -0.000 -0.887) 3.711 3.326 ( -2.565 0.000 -5.522) 6.088 3.450 ( -4.498 0.000 -1.328) 4.690 3.583 ( 4.190 -0.000 3.134) 5.233 3.642 ( -4.018 0.000 -6.682) 7.797 3.763 ( 10.549 -0.000 3.438) 11.095 3.833 ( -1.845 0.000 0.960) 2.080 3.959 ( 6.401 -0.000 -8.233) 10.429 4.028 ( 2.564 -0.000 8.393) 8.776 4.459 ( -3.489 0.000 -4.309) 5.545 4.498 ( -1.977 0.000 5.420) 5.770 4.629 ( -2.867 0.000 8.077) 8.571 4.709 ( -3.928 0.000 -4.009) 5.613 4.788 ( -9.052 0.000 -6.563) 11.181 4.958 ( -7.505 0.000 4.023) 8.516 5.060 ( -4.405 0.000 -2.854) 5.248 5.183 ( -1.675 0.000 -0.161) 1.683 5.282 ( -2.784 0.000 -5.015) 5.736 5.315 ( -4.936 0.000 -4.055) 6.388 5.459 ( -12.779 0.000 9.219) 15.757 5.537 ( -10.032 0.000 -2.172) 10.264 6.210 ( -1.313 0.000 8.781) 8.879 6.562 ( 7.271 -0.000 -7.119) 10.176 6.953 ( -20.764 0.000 0.717) 20.776 7.102 ( -0.341 0.000 -2.279) 2.304 7.288 ( -16.974 0.000 -1.989) 17.090 7.490 ( -4.033 0.000 3.079) 5.073 7.588 ( -5.485 0.000 -2.095) 5.872 7.780 ( -8.487 0.000 8.404) 11.944 8.098 ( -14.813 0.000 -8.936) 17.300 8.324 ( -16.598 0.000 11.061) 19.946 8.481 ( -15.590 0.000 -6.395) 16.851 8.497 ( -14.647 0.000 1.389) 14.713 9.556 ( 7.536 -0.000 -0.224) 7.539 9.698 ( 9.189 -0.000 1.178) 9.264 9.894 ( 10.270 -0.000 -4.150) 11.077 10.240 ( 8.535 -0.000 0.899) 8.582 10.909 ( -7.045 0.000 -0.875) 7.099 11.003 ( -13.695 0.000 1.851) 13.819 11.689 ( -7.133 0.000 3.086) 7.772 11.733 ( -4.837 0.000 -7.159) 8.640 11.924 ( 1.445 -0.000 -0.841) 1.672 12.008 ( 1.955 -0.000 4.870) 5.248 12.463 ( 32.260 -0.000 2.383) 32.348 12.580 ( -5.112 0.000 -3.302) 6.086 12.833 ( 24.862 -0.000 -3.460) 25.102 12.863 ( -9.393 0.000 3.108) 9.894 14.289 ( -7.156 0.000 -1.282) 7.270 14.672 ( -2.838 0.000 3.436) 4.457 15.919 ( -1.392 0.000 1.266) 1.882 16.190 ( -1.679 0.000 -2.523) 3.030 21.883 ( 0.996 -0.000 4.205) 4.322 22.058 ( -4.107 0.000 -6.925) 8.051 22.312 ( -7.218 0.000 1.015) 7.289 22.382 ( -14.315 0.000 0.489) 14.323 22.876 ( 3.102 -0.000 8.167) 8.736 22.963 ( 3.637 -0.000 -6.688) 7.613 24.122 ( 13.762 -0.000 10.814) 17.503 24.125 ( 13.864 -0.000 -11.005) 17.701 25.489 ( -16.823 0.000 -0.873) 16.845 25.633 ( -19.114 0.000 1.199) 19.151 27.962 ( 5.713 -0.000 -2.328) 6.170 28.110 ( 2.397 -0.000 1.774) 2.982 ======================= Grid point 259 (115/117) ======================= q-point: (-0.50 0.40 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 3.557 7.456 1.282) 8.359 1.920 ( -0.936 -0.533 -0.446) 1.166 2.372 ( 2.189 -1.632 11.331) 11.656 2.578 ( 0.994 4.231 -7.927) 9.040 2.676 ( -1.223 0.105 -3.426) 3.640 2.722 ( -3.551 1.279 0.522) 3.810 2.944 ( -10.483 5.437 -4.734) 12.723 2.995 ( -10.719 1.133 1.548) 10.889 3.183 ( 0.112 8.302 -0.225) 8.306 3.240 ( -1.458 7.308 0.356) 7.461 3.388 ( -0.496 -5.745 -0.132) 5.768 3.420 ( -2.493 -5.902 0.237) 6.411 3.589 ( 1.242 -1.486 -2.617) 3.255 3.662 ( -0.890 -5.150 2.172) 5.660 3.871 ( 6.639 0.091 -1.493) 6.805 3.951 ( 9.961 1.280 3.497) 10.635 4.060 ( 3.367 0.674 -6.494) 7.346 4.074 ( 2.426 0.831 6.373) 6.870 4.387 ( -3.583 -0.228 -4.945) 6.111 4.438 ( -4.128 0.679 4.543) 6.176 4.561 ( -0.706 4.984 1.315) 5.202 4.629 ( -4.856 -2.836 -0.735) 5.671 4.687 ( -1.645 2.993 -6.690) 7.511 4.757 ( -11.202 1.399 8.135) 13.914 4.926 ( -4.830 11.859 -2.820) 13.112 5.022 ( -9.428 8.623 -1.600) 12.877 5.219 ( -2.204 2.131 2.829) 4.172 5.255 ( -4.773 -1.818 0.803) 5.171 5.431 ( 3.844 -6.430 -4.138) 8.558 5.492 ( -0.664 -7.820 2.787) 8.328 6.210 ( 1.589 -0.208 2.980) 3.383 6.563 ( -18.279 -0.507 6.205) 19.310 6.709 ( 6.402 -0.272 -10.604) 12.390 7.003 ( -11.099 -0.481 0.012) 11.109 7.163 ( 3.349 -1.839 1.770) 4.211 7.394 ( -6.352 0.248 -0.944) 6.426 7.589 ( 1.828 -1.841 1.662) 3.081 7.730 ( -3.217 -3.347 6.396) 7.903 7.899 ( -4.892 -0.958 -12.465) 13.425 8.066 ( -12.527 -1.704 11.362) 16.998 8.248 ( -10.751 -1.844 -12.942) 16.926 8.274 ( -10.893 -1.002 8.758) 14.013 9.723 ( 10.539 -1.146 -4.000) 11.331 9.870 ( 7.929 -2.172 3.347) 8.877 10.045 ( 6.073 -0.417 6.438) 8.860 10.295 ( -2.875 -0.354 -8.303) 8.794 10.807 ( -6.055 -1.371 -0.865) 6.268 10.820 ( -5.118 -2.866 -0.732) 5.911 11.569 ( -5.129 0.732 -4.193) 6.665 11.585 ( -7.431 0.475 6.891) 10.145 11.987 ( 2.701 -0.368 -0.736) 2.823 12.026 ( 0.049 0.287 1.823) 1.846 12.506 ( -2.202 -0.904 -0.987) 2.577 12.664 ( -9.813 -0.419 0.925) 9.866 13.002 ( 25.125 0.382 -0.495) 25.133 13.243 ( 17.459 0.573 0.832) 17.489 14.226 ( 1.336 -0.235 -8.161) 8.273 14.583 ( -8.825 0.176 7.947) 11.877 15.925 ( 2.583 -0.070 4.788) 5.440 16.123 ( -5.236 0.444 -5.518) 7.620 21.868 ( -3.051 -0.337 2.815) 4.165 21.949 ( -7.718 0.889 -3.154) 8.385 22.161 ( -6.047 1.013 -1.153) 6.238 22.189 ( -7.409 -1.942 0.610) 7.684 22.928 ( 3.391 2.984 8.508) 9.633 22.985 ( 1.144 3.997 -7.668) 8.722 24.327 ( 9.117 -1.086 -1.113) 9.249 24.346 ( 7.944 -3.158 1.231) 8.637 25.282 ( -6.959 -0.895 0.148) 7.018 25.367 ( -11.118 -0.508 -0.070) 11.130 28.058 ( 4.965 -0.357 -3.773) 6.246 28.143 ( 0.387 -1.062 3.418) 3.600 ======================= Grid point 260 (116/117) ======================= q-point: (-0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -2.037 6.855 -8.527) 11.129 1.825 ( 2.037 6.855 8.527) 11.129 2.462 ( -4.432 6.471 -13.235) 15.384 2.462 ( 4.432 6.471 13.235) 15.384 2.694 ( -2.448 4.344 -1.018) 5.089 2.694 ( 2.448 4.344 1.018) 5.089 2.818 ( 2.852 -0.142 -10.933) 11.300 2.818 ( -2.852 -0.142 10.933) 11.300 3.144 ( -1.339 5.079 -2.276) 5.724 3.144 ( 1.339 5.079 2.276) 5.724 3.405 ( -1.532 1.849 -8.964) 9.280 3.405 ( 1.532 1.849 8.964) 9.280 3.684 ( 1.803 -8.536 -4.455) 9.796 3.684 ( -1.803 -8.536 4.455) 9.796 3.983 ( 1.390 3.723 -5.781) 7.015 3.983 ( -1.390 3.723 5.781) 7.015 4.073 ( -1.795 1.842 -6.584) 7.068 4.073 ( 1.795 1.842 6.584) 7.068 4.379 ( 1.747 -0.299 -4.717) 5.039 4.379 ( -1.747 -0.299 4.717) 5.039 4.552 ( 0.750 4.553 -13.988) 14.729 4.552 ( -0.750 4.553 13.988) 14.729 4.640 ( 0.860 1.960 -12.671) 12.851 4.640 ( -0.860 1.960 12.671) 12.851 4.783 ( -1.919 11.959 -5.021) 13.111 4.783 ( 1.919 11.959 5.021) 13.111 5.201 ( -1.219 1.380 -4.421) 4.790 5.201 ( 1.219 1.380 4.421) 4.790 5.558 ( 0.191 -8.445 -4.798) 9.714 5.558 ( -0.191 -8.445 4.798) 9.714 6.309 ( -8.681 -0.865 2.607) 9.105 6.309 ( 8.681 -0.865 -2.607) 9.105 6.853 ( 8.233 -1.688 -6.064) 10.363 6.853 ( -8.233 -1.688 6.064) 10.363 7.274 ( -6.780 -1.581 -3.397) 7.746 7.274 ( 6.780 -1.581 3.397) 7.746 7.672 ( -4.458 -2.472 -3.673) 6.283 7.672 ( 4.458 -2.472 3.673) 6.283 7.947 ( 5.066 -5.126 -6.962) 10.020 7.947 ( -5.066 -5.126 6.962) 10.020 8.172 ( 1.391 -2.292 -13.523) 13.786 8.172 ( -1.391 -2.292 13.523) 13.786 9.914 ( 6.366 -3.463 -6.487) 9.727 9.914 ( -6.366 -3.463 6.487) 9.727 10.178 ( -8.792 -1.088 -9.715) 13.148 10.178 ( 8.792 -1.088 9.715) 13.148 10.798 ( 0.097 -3.948 -2.874) 4.884 10.798 ( -0.097 -3.948 2.874) 4.884 11.514 ( -0.094 0.514 -13.841) 13.851 11.514 ( 0.094 0.514 13.841) 13.851 12.011 ( 0.635 1.110 -1.582) 2.034 12.011 ( -0.635 1.110 1.582) 2.034 12.540 ( -1.420 -1.716 -4.060) 4.631 12.540 ( 1.420 -1.716 4.060) 4.631 13.316 ( -8.773 0.745 1.439) 8.921 13.316 ( 8.773 0.745 -1.439) 8.921 14.368 ( 13.389 0.208 -10.033) 16.732 14.368 ( -13.389 0.208 10.033) 16.732 16.010 ( -6.108 0.392 -6.485) 8.917 16.010 ( 6.108 0.392 6.485) 8.917 21.839 ( -1.456 0.399 -1.936) 2.455 21.839 ( 1.456 0.399 1.936) 2.455 22.128 ( 0.432 -0.823 -3.373) 3.499 22.128 ( -0.432 -0.823 3.373) 3.499 22.930 ( -1.176 6.641 -8.547) 10.888 22.930 ( 1.176 6.641 8.547) 10.888 24.443 ( 0.452 -3.942 -13.379) 13.955 24.443 ( -0.452 -3.942 13.379) 13.955 25.252 ( -0.839 -0.710 -3.051) 3.243 25.252 ( 0.839 -0.710 3.051) 3.243 28.136 ( 2.805 -1.654 -4.548) 5.593 28.136 ( -2.805 -1.654 4.548) 5.593 ======================= Grid point 271 (117/117) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 9.55e-07 9.55e-07 9.55e-07 9.55e-07 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -0.612 0.000 -5.813) 5.846 1.891 ( 0.612 0.000 5.813) 5.846 2.513 ( -9.593 0.000 -12.286) 15.588 2.513 ( 9.593 0.000 12.286) 15.588 2.731 ( -2.041 0.000 -1.179) 2.357 2.731 ( 2.041 0.000 1.179) 2.357 2.824 ( 6.109 0.000 -12.170) 13.617 2.824 ( -6.109 0.000 12.170) 13.617 3.247 ( -1.517 0.000 -1.482) 2.121 3.247 ( 1.517 -0.000 1.482) 2.121 3.351 ( -0.946 0.000 -0.450) 1.048 3.351 ( 0.946 -0.000 0.450) 1.048 3.614 ( 2.028 0.000 -6.039) 6.371 3.614 ( -2.028 0.000 6.039) 6.371 4.027 ( -7.780 -0.000 -3.801) 8.659 4.027 ( 7.780 0.000 3.801) 8.659 4.085 ( 3.139 -0.000 -3.775) 4.910 4.085 ( -3.139 0.000 3.775) 4.910 4.366 ( 2.839 0.000 -6.209) 6.827 4.366 ( -2.839 0.000 6.209) 6.827 4.583 ( 3.407 0.000 -13.991) 14.400 4.583 ( -3.407 0.000 13.991) 14.400 4.655 ( -0.997 0.000 -13.766) 13.802 4.655 ( 0.997 0.000 13.766) 13.802 4.967 ( -3.105 -0.000 -1.796) 3.587 4.967 ( 3.105 -0.000 1.796) 3.587 5.206 ( 1.014 0.000 -7.379) 7.449 5.206 ( -1.014 0.000 7.380) 7.449 5.449 ( 0.847 -0.000 -4.221) 4.305 5.449 ( -0.847 0.000 4.221) 4.305 6.301 ( -9.807 0.000 2.937) 10.237 6.301 ( 9.807 0.000 -2.937) 10.237 6.839 ( 8.040 0.000 -5.495) 9.738 6.839 ( -8.040 0.000 5.495) 9.738 7.259 ( -7.596 0.000 -3.596) 8.404 7.259 ( 7.596 0.000 3.596) 8.404 7.643 ( -4.358 0.000 -0.651) 4.406 7.643 ( 4.358 0.000 0.651) 4.406 7.903 ( 5.125 0.000 -10.306) 11.510 7.903 ( -5.125 0.000 10.306) 11.510 8.150 ( 1.770 0.000 -14.509) 14.616 8.150 ( -1.770 0.000 14.509) 14.616 9.881 ( 6.373 0.000 -6.553) 9.141 9.881 ( -6.373 0.000 6.553) 9.141 10.167 ( -8.732 0.000 -9.839) 13.155 10.167 ( 8.732 0.000 9.839) 13.155 10.760 ( 1.206 0.000 -1.041) 1.593 10.760 ( -1.206 0.000 1.041) 1.593 11.519 ( 0.311 0.000 -14.167) 14.171 11.519 ( -0.311 0.000 14.167) 14.171 12.021 ( -1.156 0.000 -0.298) 1.194 12.021 ( 1.156 0.000 0.298) 1.194 12.522 ( -4.903 0.000 -0.310) 4.912 12.522 ( 4.903 0.000 0.310) 4.912 13.323 ( -8.952 0.000 1.853) 9.142 13.323 ( 8.952 0.000 -1.853) 9.142 14.371 ( 13.660 0.000 -10.966) 17.517 14.371 ( -13.660 0.000 10.966) 17.517 16.014 ( -6.412 0.000 -6.993) 9.488 16.014 ( 6.412 0.000 6.993) 9.488 21.843 ( -2.492 0.000 -1.579) 2.950 21.843 ( 2.492 0.000 1.579) 2.950 22.120 ( -0.465 0.000 -2.683) 2.723 22.120 ( 0.465 0.000 2.683) 2.723 22.995 ( -1.780 0.000 -8.368) 8.555 22.995 ( 1.780 0.000 8.368) 8.555 24.404 ( 0.275 0.000 -14.074) 14.077 24.404 ( -0.275 0.000 14.074) 14.077 25.245 ( -2.634 0.000 -0.654) 2.714 25.245 ( 2.634 0.000 0.654) 2.714 28.121 ( 2.478 0.000 -4.106) 4.796 28.121 ( -2.478 0.000 4.106) 4.796 =================== 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 3/28800 10.0 595.667 1271.711 698.759 0.000 -72.991 0.000 3/28800 20.0 82.323 133.459 104.862 0.000 -7.496 0.000 3/28800 30.0 30.481 45.314 38.517 0.000 -1.864 0.000 3/28800 40.0 16.980 23.968 21.026 0.000 -0.793 0.000 3/28800 50.0 11.485 15.634 13.973 0.000 -0.456 0.000 3/28800 60.0 8.674 11.432 10.357 0.000 -0.315 0.000 3/28800 70.0 7.027 8.957 8.204 0.000 -0.244 -0.000 3/28800 80.0 5.968 7.344 6.790 0.000 -0.203 -0.000 3/28800 90.0 5.238 6.217 5.797 0.000 -0.177 -0.000 3/28800 100.0 4.706 5.388 5.062 0.000 -0.159 -0.000 3/28800 110.0 4.301 4.755 4.499 0.000 -0.146 -0.000 3/28800 120.0 3.979 4.256 4.053 0.000 -0.135 -0.000 3/28800 130.0 3.715 3.853 3.691 0.000 -0.126 -0.000 3/28800 140.0 3.493 3.522 3.392 0.000 -0.119 -0.000 3/28800 150.0 3.303 3.244 3.141 0.000 -0.113 -0.000 3/28800 160.0 3.136 3.008 2.926 0.000 -0.107 -0.000 3/28800 170.0 2.989 2.805 2.740 0.000 -0.103 -0.000 3/28800 180.0 2.858 2.629 2.578 0.000 -0.098 -0.000 3/28800 190.0 2.739 2.474 2.435 0.000 -0.094 -0.000 3/28800 200.0 2.631 2.337 2.308 0.000 -0.091 -0.000 3/28800 210.0 2.532 2.215 2.194 0.000 -0.088 -0.000 3/28800 220.0 2.441 2.106 2.092 0.000 -0.085 -0.000 3/28800 230.0 2.358 2.007 1.999 0.000 -0.082 -0.000 3/28800 240.0 2.280 1.917 1.914 0.000 -0.079 -0.000 3/28800 250.0 2.207 1.836 1.837 0.000 -0.077 -0.000 3/28800 260.0 2.139 1.761 1.766 0.000 -0.074 -0.000 3/28800 270.0 2.076 1.692 1.700 0.000 -0.072 -0.000 3/28800 280.0 2.016 1.629 1.639 0.000 -0.070 -0.000 3/28800 290.0 1.960 1.570 1.583 0.000 -0.068 -0.000 3/28800 300.0 1.907 1.516 1.530 0.000 -0.067 -0.000 3/28800 310.0 1.857 1.465 1.481 0.000 -0.065 -0.000 3/28800 320.0 1.809 1.418 1.436 0.000 -0.063 -0.000 3/28800 330.0 1.764 1.373 1.392 0.000 -0.062 -0.000 3/28800 340.0 1.721 1.332 1.352 0.000 -0.060 -0.000 3/28800 350.0 1.680 1.293 1.314 0.000 -0.059 -0.000 3/28800 360.0 1.641 1.256 1.278 0.000 -0.058 -0.000 3/28800 370.0 1.604 1.221 1.244 0.000 -0.056 -0.000 3/28800 380.0 1.568 1.188 1.211 0.000 -0.055 -0.000 3/28800 390.0 1.534 1.157 1.181 0.000 -0.054 -0.000 3/28800 400.0 1.501 1.128 1.152 0.000 -0.053 -0.000 3/28800 410.0 1.470 1.100 1.124 0.000 -0.052 -0.000 3/28800 420.0 1.440 1.073 1.098 0.000 -0.051 -0.000 3/28800 430.0 1.411 1.048 1.072 0.000 -0.050 -0.000 3/28800 440.0 1.383 1.024 1.048 0.000 -0.049 -0.000 3/28800 450.0 1.356 1.001 1.026 0.000 -0.048 -0.000 3/28800 460.0 1.331 0.979 1.004 0.000 -0.047 -0.000 3/28800 470.0 1.306 0.958 0.983 0.000 -0.046 -0.000 3/28800 480.0 1.282 0.938 0.962 0.000 -0.045 -0.000 3/28800 490.0 1.259 0.919 0.943 0.000 -0.044 -0.000 3/28800 500.0 1.236 0.900 0.924 0.000 -0.044 -0.000 3/28800 510.0 1.215 0.882 0.907 0.000 -0.043 -0.000 3/28800 520.0 1.194 0.865 0.889 0.000 -0.042 -0.000 3/28800 530.0 1.174 0.849 0.873 0.000 -0.041 -0.000 3/28800 540.0 1.154 0.833 0.857 0.000 -0.041 -0.000 3/28800 550.0 1.135 0.818 0.842 0.000 -0.040 -0.000 3/28800 560.0 1.117 0.803 0.827 0.000 -0.039 -0.000 3/28800 570.0 1.099 0.789 0.812 0.000 -0.039 -0.000 3/28800 580.0 1.082 0.775 0.799 0.000 -0.038 -0.000 3/28800 590.0 1.065 0.762 0.785 0.000 -0.038 -0.000 3/28800 600.0 1.049 0.749 0.772 0.000 -0.037 -0.000 3/28800 610.0 1.033 0.737 0.760 0.000 -0.036 -0.000 3/28800 620.0 1.018 0.725 0.748 0.000 -0.036 -0.000 3/28800 630.0 1.003 0.713 0.736 0.000 -0.035 -0.000 3/28800 640.0 0.989 0.702 0.725 0.000 -0.035 -0.000 3/28800 650.0 0.975 0.691 0.714 0.000 -0.034 -0.000 3/28800 660.0 0.961 0.681 0.703 0.000 -0.034 -0.000 3/28800 670.0 0.948 0.671 0.693 0.000 -0.034 -0.000 3/28800 680.0 0.935 0.661 0.683 0.000 -0.033 -0.000 3/28800 690.0 0.922 0.651 0.673 0.000 -0.033 -0.000 3/28800 700.0 0.910 0.642 0.663 0.000 -0.032 -0.000 3/28800 710.0 0.898 0.633 0.654 0.000 -0.032 -0.000 3/28800 720.0 0.886 0.624 0.645 0.000 -0.031 -0.000 3/28800 730.0 0.875 0.615 0.636 0.000 -0.031 -0.000 3/28800 740.0 0.864 0.607 0.628 0.000 -0.031 -0.000 3/28800 750.0 0.853 0.599 0.620 0.000 -0.030 -0.000 3/28800 760.0 0.843 0.591 0.611 0.000 -0.030 -0.000 3/28800 770.0 0.832 0.583 0.604 0.000 -0.029 -0.000 3/28800 780.0 0.822 0.576 0.596 0.000 -0.029 -0.000 3/28800 790.0 0.812 0.569 0.588 0.000 -0.029 -0.000 3/28800 800.0 0.803 0.562 0.581 0.000 -0.028 -0.000 3/28800 810.0 0.793 0.555 0.574 0.000 -0.028 -0.000 3/28800 820.0 0.784 0.548 0.567 0.000 -0.028 -0.000 3/28800 830.0 0.775 0.541 0.560 0.000 -0.027 -0.000 3/28800 840.0 0.767 0.535 0.554 0.000 -0.027 -0.000 3/28800 850.0 0.758 0.528 0.547 0.000 -0.027 -0.000 3/28800 860.0 0.750 0.522 0.541 0.000 -0.027 -0.000 3/28800 870.0 0.741 0.516 0.535 0.000 -0.026 -0.000 3/28800 880.0 0.733 0.510 0.529 0.000 -0.026 -0.000 3/28800 890.0 0.726 0.505 0.523 0.000 -0.026 -0.000 3/28800 900.0 0.718 0.499 0.517 0.000 -0.025 -0.000 3/28800 910.0 0.710 0.494 0.511 0.000 -0.025 -0.000 3/28800 920.0 0.703 0.488 0.506 0.000 -0.025 -0.000 3/28800 930.0 0.696 0.483 0.501 0.000 -0.025 -0.000 3/28800 940.0 0.689 0.478 0.495 0.000 -0.024 -0.000 3/28800 950.0 0.682 0.473 0.490 0.000 -0.024 -0.000 3/28800 960.0 0.675 0.468 0.485 0.000 -0.024 -0.000 3/28800 970.0 0.668 0.463 0.480 0.000 -0.024 -0.000 3/28800 980.0 0.662 0.458 0.475 0.000 -0.023 -0.000 3/28800 990.0 0.655 0.454 0.470 0.000 -0.023 -0.000 3/28800 1000.0 0.649 0.449 0.466 0.000 -0.023 -0.000 3/28800 Thermal conductivity related properties were written into "kappa-m10104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:55:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|