----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:41:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.429795460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.794016239999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.056284880000000 Atomic positions (fractional): *1 H 0.46739307301279 0.81368527366614 0.77277532834504 1.008 2 H 0.46739307301279 0.68631472633386 0.27277532834503 1.008 3 H 0.03260692698721 0.31368527366614 0.77277532834504 1.008 4 H 0.53260692698721 0.18631472633386 0.22722467165496 1.008 5 H 0.03260692698721 0.18631472633386 0.27277532834503 1.008 6 H 0.53260692698721 0.31368527366614 0.72722467165496 1.008 7 H 0.96739307301279 0.68631472633386 0.22722467165496 1.008 8 H 0.96739307301279 0.81368527366614 0.72722467165496 1.008 *9 Be 0.77822522135055 0.73513110573724 0.56895577243802 9.012 10 Be 0.27822522135055 0.76486889426276 0.43104422756198 9.012 11 Be 0.22177477864945 0.23513110573724 0.93104422756198 9.012 *12 Be 0.26074973791689 0.49900763100022 0.81096691210654 9.012 13 Be 0.22177477864945 0.26486889426276 0.43104422756198 9.012 14 Be 0.72177477864945 0.23513110573724 0.56895577243802 9.012 15 Be 0.77822522135055 0.76486889426276 0.06895577243802 9.012 16 Be 0.27822522135055 0.73513110573724 0.93104422756198 9.012 17 Be 0.76074973791689 0.00099236899977 0.18903308789346 9.012 18 Be 0.73925026208311 0.99900763100023 0.68903308789346 9.012 19 Be 0.23925026208311 0.50099236899977 0.31096691210654 9.012 20 Be 0.73925026208311 0.50099236899977 0.18903308789346 9.012 21 Be 0.23925026208311 0.99900763100023 0.81096691210654 9.012 22 Be 0.26074973791689 0.00099236899977 0.31096691210654 9.012 23 Be 0.72177477864945 0.26486889426276 0.06895577243802 9.012 24 Be 0.76074973791689 0.49900763100022 0.68903308789346 9.012 *25 B 0.77424510347348 0.60442323425057 0.89397782729684 10.811 26 B 0.27424510347348 0.60442323425057 0.60602217270316 10.811 27 B 0.77424510347348 0.89557676574943 0.39397782729684 10.811 28 B 0.72575489652652 0.10442323425057 0.89397782729684 10.811 29 B 0.22575489652652 0.39557676574943 0.10602217270316 10.811 30 B 0.72575489652652 0.39557676574943 0.39397782729684 10.811 31 B 0.22575489652652 0.10442323425057 0.60602217270316 10.811 32 B 0.27424510347348 0.89557676574943 0.10602217270316 10.811 *33 O 0.11879087178960 0.53447539412591 0.68691962173920 15.999 *34 O 0.08433972442844 0.90213140793753 0.39816292352399 15.999 35 O 0.41566027557156 0.09786859206247 0.89816292352399 15.999 36 O 0.91566027557156 0.40213140793753 0.10183707647601 15.999 37 O 0.41566027557156 0.40213140793753 0.39816292352399 15.999 38 O 0.91566027557156 0.09786859206247 0.60183707647601 15.999 39 O 0.58433972442844 0.90213140793753 0.10183707647601 15.999 40 O 0.08433972442844 0.59786859206247 0.89816292352399 15.999 *41 O 0.11850379014134 0.68737481603341 0.53387107618769 15.999 42 O 0.61850379014134 0.81262518396659 0.46612892381231 15.999 43 O 0.88149620985866 0.18737481603342 0.96612892381231 15.999 44 O 0.38149620985866 0.31262518396659 0.03387107618769 15.999 45 O 0.58433972442844 0.59786859206247 0.60183707647601 15.999 46 O 0.38149620985866 0.18737481603342 0.53387107618769 15.999 47 O 0.11850379014134 0.81262518396659 0.03387107618769 15.999 48 O 0.61850379014134 0.68737481603341 0.96612892381231 15.999 49 O 0.88149620985866 0.31262518396659 0.46612892381231 15.999 *50 O 0.29280488409603 0.66502782680021 0.32207907366261 15.999 51 O 0.20719511590397 0.33497217319979 0.82207907366261 15.999 52 O 0.70719511590397 0.16502782680021 0.17792092633739 15.999 53 O 0.20719511590397 0.16502782680021 0.32207907366261 15.999 54 O 0.70719511590397 0.33497217319979 0.67792092633739 15.999 55 O 0.79280488409603 0.66502782680021 0.17792092633739 15.999 56 O 0.29280488409603 0.83497217319979 0.82207907366261 15.999 57 O 0.61879087178960 0.53447539412591 0.81308037826080 15.999 58 O 0.11879087178960 0.96552460587409 0.18691962173920 15.999 59 O 0.38120912821040 0.03447539412591 0.68691962173920 15.999 60 O 0.88120912821040 0.46552460587409 0.31308037826080 15.999 61 O 0.38120912821040 0.46552460587409 0.18691962173920 15.999 62 O 0.88120912821040 0.03447539412591 0.81308037826080 15.999 63 O 0.61879087178960 0.96552460587409 0.31308037826080 15.999 64 O 0.79280488409603 0.83497217319979 0.67792092633739 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.429795460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.794016239999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.056284880000000 Atomic positions (fractional): *1 H 0.46739307301279 0.81368527366614 0.77277532834504 1.008 > 1 2 H 0.46739307301279 0.68631472633386 0.27277532834503 1.008 > 2 3 H 0.03260692698721 0.31368527366614 0.77277532834504 1.008 > 3 4 H 0.53260692698721 0.18631472633386 0.22722467165496 1.008 > 4 5 H 0.03260692698721 0.18631472633386 0.27277532834503 1.008 > 5 6 H 0.53260692698721 0.31368527366614 0.72722467165496 1.008 > 6 7 H 0.96739307301279 0.68631472633386 0.22722467165496 1.008 > 7 8 H 0.96739307301279 0.81368527366614 0.72722467165496 1.008 > 8 *9 Be 0.77822522135055 0.73513110573724 0.56895577243802 9.012 > 9 10 Be 0.27822522135055 0.76486889426276 0.43104422756198 9.012 > 10 11 Be 0.22177477864945 0.23513110573724 0.93104422756198 9.012 > 11 *12 Be 0.26074973791689 0.49900763100022 0.81096691210654 9.012 > 12 13 Be 0.22177477864945 0.26486889426276 0.43104422756198 9.012 > 13 14 Be 0.72177477864945 0.23513110573724 0.56895577243802 9.012 > 14 15 Be 0.77822522135055 0.76486889426276 0.06895577243802 9.012 > 15 16 Be 0.27822522135055 0.73513110573724 0.93104422756198 9.012 > 16 17 Be 0.76074973791689 0.00099236899977 0.18903308789346 9.012 > 17 18 Be 0.73925026208311 0.99900763100023 0.68903308789346 9.012 > 18 19 Be 0.23925026208311 0.50099236899977 0.31096691210654 9.012 > 19 20 Be 0.73925026208311 0.50099236899977 0.18903308789346 9.012 > 20 21 Be 0.23925026208311 0.99900763100023 0.81096691210654 9.012 > 21 22 Be 0.26074973791689 0.00099236899977 0.31096691210654 9.012 > 22 23 Be 0.72177477864945 0.26486889426276 0.06895577243802 9.012 > 23 24 Be 0.76074973791689 0.49900763100022 0.68903308789346 9.012 > 24 *25 B 0.77424510347348 0.60442323425057 0.89397782729684 10.811 > 25 26 B 0.27424510347348 0.60442323425057 0.60602217270316 10.811 > 26 27 B 0.77424510347348 0.89557676574943 0.39397782729684 10.811 > 27 28 B 0.72575489652652 0.10442323425057 0.89397782729684 10.811 > 28 29 B 0.22575489652652 0.39557676574943 0.10602217270316 10.811 > 29 30 B 0.72575489652652 0.39557676574943 0.39397782729684 10.811 > 30 31 B 0.22575489652652 0.10442323425057 0.60602217270316 10.811 > 31 32 B 0.27424510347348 0.89557676574943 0.10602217270316 10.811 > 32 *33 O 0.11879087178960 0.53447539412591 0.68691962173920 15.999 > 33 *34 O 0.08433972442844 0.90213140793753 0.39816292352399 15.999 > 34 35 O 0.41566027557156 0.09786859206247 0.89816292352399 15.999 > 35 36 O 0.91566027557156 0.40213140793753 0.10183707647601 15.999 > 36 37 O 0.41566027557156 0.40213140793753 0.39816292352399 15.999 > 37 38 O 0.91566027557156 0.09786859206247 0.60183707647601 15.999 > 38 39 O 0.58433972442844 0.90213140793753 0.10183707647601 15.999 > 39 40 O 0.08433972442844 0.59786859206247 0.89816292352399 15.999 > 40 *41 O 0.11850379014134 0.68737481603341 0.53387107618769 15.999 > 41 42 O 0.61850379014134 0.81262518396659 0.46612892381231 15.999 > 42 43 O 0.88149620985866 0.18737481603342 0.96612892381231 15.999 > 43 44 O 0.38149620985866 0.31262518396659 0.03387107618769 15.999 > 44 45 O 0.58433972442844 0.59786859206247 0.60183707647601 15.999 > 45 46 O 0.38149620985866 0.18737481603342 0.53387107618769 15.999 > 46 47 O 0.11850379014134 0.81262518396659 0.03387107618769 15.999 > 47 48 O 0.61850379014134 0.68737481603341 0.96612892381231 15.999 > 48 49 O 0.88149620985866 0.31262518396659 0.46612892381231 15.999 > 49 *50 O 0.29280488409603 0.66502782680021 0.32207907366261 15.999 > 50 51 O 0.20719511590397 0.33497217319979 0.82207907366261 15.999 > 51 52 O 0.70719511590397 0.16502782680021 0.17792092633739 15.999 > 52 53 O 0.20719511590397 0.16502782680021 0.32207907366261 15.999 > 53 54 O 0.70719511590397 0.33497217319979 0.67792092633739 15.999 > 54 55 O 0.79280488409603 0.66502782680021 0.17792092633739 15.999 > 55 56 O 0.29280488409603 0.83497217319979 0.82207907366261 15.999 > 56 57 O 0.61879087178960 0.53447539412591 0.81308037826080 15.999 > 57 58 O 0.11879087178960 0.96552460587409 0.18691962173920 15.999 > 58 59 O 0.38120912821040 0.03447539412591 0.68691962173920 15.999 > 59 60 O 0.88120912821040 0.46552460587409 0.31308037826080 15.999 > 60 61 O 0.38120912821040 0.46552460587409 0.18691962173920 15.999 > 61 62 O 0.88120912821040 0.03447539412591 0.81308037826080 15.999 > 62 63 O 0.61879087178960 0.96552460587409 0.31308037826080 15.999 > 63 64 O 0.79280488409603 0.83497217319979 0.67792092633739 15.999 > 64 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.859590920000002 0.000000000000000 0.000000000000000 b 0.000000000000000 9.794016239999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.056284880000000 Atomic positions (fractional): *1 H 0.23369653650640 0.81368527366614 0.77277532834504 1.008 > 1 2 H 0.73369653650640 0.81368527366614 0.77277532834504 1.008 > 1 3 H 0.23369653650640 0.68631472633386 0.27277532834503 1.008 > 2 4 H 0.73369653650640 0.68631472633386 0.27277532834503 1.008 > 2 5 H 0.01630346349360 0.31368527366614 0.77277532834504 1.008 > 3 6 H 0.51630346349360 0.31368527366614 0.77277532834504 1.008 > 3 7 H 0.26630346349360 0.18631472633386 0.22722467165496 1.008 > 4 8 H 0.76630346349360 0.18631472633386 0.22722467165496 1.008 > 4 9 H 0.01630346349360 0.18631472633386 0.27277532834503 1.008 > 5 10 H 0.51630346349360 0.18631472633386 0.27277532834503 1.008 > 5 11 H 0.26630346349360 0.31368527366614 0.72722467165496 1.008 > 6 12 H 0.76630346349360 0.31368527366614 0.72722467165496 1.008 > 6 13 H 0.48369653650640 0.68631472633386 0.22722467165496 1.008 > 7 14 H 0.98369653650640 0.68631472633386 0.22722467165496 1.008 > 7 15 H 0.48369653650640 0.81368527366614 0.72722467165496 1.008 > 8 16 H 0.98369653650640 0.81368527366614 0.72722467165496 1.008 > 8 *17 Be 0.38911261067527 0.73513110573724 0.56895577243802 9.012 > 9 18 Be 0.88911261067527 0.73513110573724 0.56895577243802 9.012 > 9 19 Be 0.13911261067527 0.76486889426276 0.43104422756198 9.012 > 10 20 Be 0.63911261067527 0.76486889426276 0.43104422756198 9.012 > 10 21 Be 0.11088738932473 0.23513110573724 0.93104422756198 9.012 > 11 22 Be 0.61088738932473 0.23513110573724 0.93104422756198 9.012 > 11 *23 Be 0.13037486895845 0.49900763100022 0.81096691210654 9.012 > 12 24 Be 0.63037486895845 0.49900763100022 0.81096691210654 9.012 > 12 25 Be 0.11088738932473 0.26486889426276 0.43104422756198 9.012 > 13 26 Be 0.61088738932473 0.26486889426276 0.43104422756198 9.012 > 13 27 Be 0.36088738932473 0.23513110573724 0.56895577243802 9.012 > 14 28 Be 0.86088738932473 0.23513110573724 0.56895577243802 9.012 > 14 29 Be 0.38911261067527 0.76486889426276 0.06895577243802 9.012 > 15 30 Be 0.88911261067527 0.76486889426276 0.06895577243802 9.012 > 15 31 Be 0.13911261067527 0.73513110573724 0.93104422756198 9.012 > 16 32 Be 0.63911261067527 0.73513110573724 0.93104422756198 9.012 > 16 33 Be 0.38037486895845 0.00099236899977 0.18903308789346 9.012 > 17 34 Be 0.88037486895845 0.00099236899977 0.18903308789346 9.012 > 17 35 Be 0.36962513104155 0.99900763100023 0.68903308789346 9.012 > 18 36 Be 0.86962513104155 0.99900763100023 0.68903308789346 9.012 > 18 37 Be 0.11962513104155 0.50099236899977 0.31096691210654 9.012 > 19 38 Be 0.61962513104155 0.50099236899977 0.31096691210654 9.012 > 19 39 Be 0.36962513104155 0.50099236899977 0.18903308789346 9.012 > 20 40 Be 0.86962513104155 0.50099236899977 0.18903308789346 9.012 > 20 41 Be 0.11962513104155 0.99900763100023 0.81096691210654 9.012 > 21 42 Be 0.61962513104155 0.99900763100023 0.81096691210654 9.012 > 21 43 Be 0.13037486895845 0.00099236899977 0.31096691210654 9.012 > 22 44 Be 0.63037486895845 0.00099236899977 0.31096691210654 9.012 > 22 45 Be 0.36088738932473 0.26486889426276 0.06895577243802 9.012 > 23 46 Be 0.86088738932473 0.26486889426276 0.06895577243802 9.012 > 23 47 Be 0.38037486895845 0.49900763100022 0.68903308789346 9.012 > 24 48 Be 0.88037486895845 0.49900763100022 0.68903308789346 9.012 > 24 *49 B 0.38712255173674 0.60442323425057 0.89397782729684 10.811 > 25 50 B 0.88712255173674 0.60442323425057 0.89397782729684 10.811 > 25 51 B 0.13712255173674 0.60442323425057 0.60602217270316 10.811 > 26 52 B 0.63712255173674 0.60442323425057 0.60602217270316 10.811 > 26 53 B 0.38712255173674 0.89557676574943 0.39397782729684 10.811 > 27 54 B 0.88712255173674 0.89557676574943 0.39397782729684 10.811 > 27 55 B 0.36287744826326 0.10442323425057 0.89397782729684 10.811 > 28 56 B 0.86287744826326 0.10442323425057 0.89397782729684 10.811 > 28 57 B 0.11287744826326 0.39557676574943 0.10602217270316 10.811 > 29 58 B 0.61287744826326 0.39557676574943 0.10602217270316 10.811 > 29 59 B 0.36287744826326 0.39557676574943 0.39397782729684 10.811 > 30 60 B 0.86287744826326 0.39557676574943 0.39397782729684 10.811 > 30 61 B 0.11287744826326 0.10442323425057 0.60602217270316 10.811 > 31 62 B 0.61287744826326 0.10442323425057 0.60602217270316 10.811 > 31 63 B 0.13712255173674 0.89557676574943 0.10602217270316 10.811 > 32 64 B 0.63712255173674 0.89557676574943 0.10602217270316 10.811 > 32 *65 O 0.05939543589480 0.53447539412591 0.68691962173920 15.999 > 33 66 O 0.55939543589480 0.53447539412591 0.68691962173920 15.999 > 33 *67 O 0.04216986221422 0.90213140793753 0.39816292352399 15.999 > 34 68 O 0.54216986221422 0.90213140793753 0.39816292352399 15.999 > 34 69 O 0.20783013778578 0.09786859206247 0.89816292352399 15.999 > 35 70 O 0.70783013778578 0.09786859206247 0.89816292352399 15.999 > 35 71 O 0.45783013778578 0.40213140793753 0.10183707647601 15.999 > 36 72 O 0.95783013778578 0.40213140793753 0.10183707647601 15.999 > 36 73 O 0.20783013778578 0.40213140793753 0.39816292352399 15.999 > 37 74 O 0.70783013778578 0.40213140793753 0.39816292352399 15.999 > 37 75 O 0.45783013778578 0.09786859206247 0.60183707647601 15.999 > 38 76 O 0.95783013778578 0.09786859206247 0.60183707647601 15.999 > 38 77 O 0.29216986221422 0.90213140793753 0.10183707647601 15.999 > 39 78 O 0.79216986221422 0.90213140793753 0.10183707647601 15.999 > 39 79 O 0.04216986221422 0.59786859206247 0.89816292352399 15.999 > 40 80 O 0.54216986221422 0.59786859206247 0.89816292352399 15.999 > 40 *81 O 0.05925189507067 0.68737481603341 0.53387107618769 15.999 > 41 82 O 0.55925189507067 0.68737481603341 0.53387107618769 15.999 > 41 83 O 0.30925189507067 0.81262518396659 0.46612892381231 15.999 > 42 84 O 0.80925189507067 0.81262518396659 0.46612892381231 15.999 > 42 85 O 0.44074810492933 0.18737481603342 0.96612892381231 15.999 > 43 86 O 0.94074810492933 0.18737481603342 0.96612892381231 15.999 > 43 87 O 0.19074810492933 0.31262518396659 0.03387107618769 15.999 > 44 88 O 0.69074810492933 0.31262518396659 0.03387107618769 15.999 > 44 89 O 0.29216986221422 0.59786859206247 0.60183707647601 15.999 > 45 90 O 0.79216986221422 0.59786859206247 0.60183707647601 15.999 > 45 91 O 0.19074810492933 0.18737481603342 0.53387107618769 15.999 > 46 92 O 0.69074810492933 0.18737481603342 0.53387107618769 15.999 > 46 93 O 0.05925189507067 0.81262518396659 0.03387107618769 15.999 > 47 94 O 0.55925189507067 0.81262518396659 0.03387107618769 15.999 > 47 95 O 0.30925189507067 0.68737481603341 0.96612892381231 15.999 > 48 96 O 0.80925189507067 0.68737481603341 0.96612892381231 15.999 > 48 97 O 0.44074810492933 0.31262518396659 0.46612892381231 15.999 > 49 98 O 0.94074810492933 0.31262518396659 0.46612892381231 15.999 > 49 *99 O 0.14640244204802 0.66502782680021 0.32207907366261 15.999 > 50 100 O 0.64640244204802 0.66502782680021 0.32207907366261 15.999 > 50 101 O 0.10359755795198 0.33497217319979 0.82207907366261 15.999 > 51 102 O 0.60359755795198 0.33497217319979 0.82207907366261 15.999 > 51 103 O 0.35359755795198 0.16502782680021 0.17792092633739 15.999 > 52 104 O 0.85359755795198 0.16502782680021 0.17792092633739 15.999 > 52 105 O 0.10359755795198 0.16502782680021 0.32207907366261 15.999 > 53 106 O 0.60359755795198 0.16502782680021 0.32207907366261 15.999 > 53 107 O 0.35359755795198 0.33497217319979 0.67792092633739 15.999 > 54 108 O 0.85359755795198 0.33497217319979 0.67792092633739 15.999 > 54 109 O 0.39640244204802 0.66502782680021 0.17792092633739 15.999 > 55 110 O 0.89640244204802 0.66502782680021 0.17792092633739 15.999 > 55 111 O 0.14640244204802 0.83497217319979 0.82207907366261 15.999 > 56 112 O 0.64640244204802 0.83497217319979 0.82207907366261 15.999 > 56 113 O 0.30939543589480 0.53447539412591 0.81308037826080 15.999 > 57 114 O 0.80939543589480 0.53447539412591 0.81308037826080 15.999 > 57 115 O 0.05939543589480 0.96552460587409 0.18691962173920 15.999 > 58 116 O 0.55939543589480 0.96552460587409 0.18691962173920 15.999 > 58 117 O 0.19060456410520 0.03447539412591 0.68691962173920 15.999 > 59 118 O 0.69060456410520 0.03447539412591 0.68691962173920 15.999 > 59 119 O 0.44060456410520 0.46552460587409 0.31308037826080 15.999 > 60 120 O 0.94060456410520 0.46552460587409 0.31308037826080 15.999 > 60 121 O 0.19060456410520 0.46552460587409 0.18691962173920 15.999 > 61 122 O 0.69060456410520 0.46552460587409 0.18691962173920 15.999 > 61 123 O 0.44060456410520 0.03447539412591 0.81308037826080 15.999 > 62 124 O 0.94060456410520 0.03447539412591 0.81308037826080 15.999 > 62 125 O 0.30939543589480 0.96552460587409 0.31308037826080 15.999 > 63 126 O 0.80939543589480 0.96552460587409 0.31308037826080 15.999 > 63 127 O 0.39640244204802 0.83497217319979 0.67792092633739 15.999 > 64 128 O 0.89640244204802 0.83497217319979 0.67792092633739 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8363701 0.0000000 0.0000000 0.0000000 2.5572075 0.0000000 0.0000000 0.0000000 2.6762205 -------------------------- Born effective charges -------------------------- 1 H 0.7852827 -0.0063330 -0.3588837 0.0208677 0.4057815 -0.0284825 -0.3135462 -0.0171576 0.5687197 2 H 0.7852827 0.0063330 -0.3588837 -0.0208677 0.4057815 0.0284825 -0.3135462 0.0171576 0.5687197 3 H 0.7852827 0.0063330 0.3588837 -0.0208677 0.4057815 -0.0284825 0.3135462 -0.0171576 0.5687197 4 H 0.7852827 -0.0063330 -0.3588837 0.0208677 0.4057815 -0.0284825 -0.3135462 -0.0171576 0.5687197 5 H 0.7852827 -0.0063330 0.3588837 0.0208677 0.4057815 0.0284825 0.3135462 0.0171576 0.5687197 6 H 0.7852827 0.0063330 -0.3588837 -0.0208677 0.4057815 0.0284825 -0.3135462 0.0171576 0.5687197 7 H 0.7852827 0.0063330 0.3588837 -0.0208677 0.4057815 -0.0284825 0.3135462 -0.0171576 0.5687197 8 H 0.7852827 -0.0063330 0.3588837 0.0208677 0.4057815 0.0284825 0.3135462 0.0171576 0.5687197 9 Be 1.8559642 0.1125432 -0.0956262 -0.0760937 1.7626078 0.0644272 0.1312437 -0.1290181 1.8920761 10 Be 1.8559642 -0.1125432 0.0956262 0.0760937 1.7626078 0.0644272 -0.1312437 -0.1290181 1.8920761 11 Be 1.8559642 -0.1125432 -0.0956262 0.0760937 1.7626078 -0.0644272 0.1312437 0.1290181 1.8920761 12 Be 1.8885207 -0.0426312 -0.1214115 0.0429154 1.8556565 -0.0019874 0.1292143 0.0658255 1.7102598 13 Be 1.8559642 0.1125432 -0.0956262 -0.0760937 1.7626078 0.0644272 0.1312437 -0.1290181 1.8920761 14 Be 1.8559642 -0.1125432 0.0956262 0.0760937 1.7626078 0.0644272 -0.1312437 -0.1290181 1.8920761 15 Be 1.8559642 -0.1125432 -0.0956262 0.0760937 1.7626078 -0.0644272 0.1312437 0.1290181 1.8920761 16 Be 1.8559642 0.1125432 0.0956262 -0.0760937 1.7626078 -0.0644272 -0.1312437 0.1290181 1.8920761 17 Be 1.8885207 0.0426312 0.1214115 -0.0429154 1.8556565 -0.0019874 -0.1292143 0.0658255 1.7102598 18 Be 1.8885207 0.0426312 -0.1214115 -0.0429154 1.8556565 0.0019874 0.1292143 -0.0658255 1.7102598 19 Be 1.8885207 -0.0426312 0.1214115 0.0429154 1.8556565 0.0019874 -0.1292143 -0.0658255 1.7102598 20 Be 1.8885207 -0.0426312 -0.1214115 0.0429154 1.8556565 -0.0019874 0.1292143 0.0658255 1.7102598 21 Be 1.8885207 0.0426312 0.1214115 -0.0429154 1.8556565 -0.0019874 -0.1292143 0.0658255 1.7102598 22 Be 1.8885207 0.0426312 -0.1214115 -0.0429154 1.8556565 0.0019874 0.1292143 -0.0658255 1.7102598 23 Be 1.8559642 0.1125432 0.0956262 -0.0760937 1.7626078 -0.0644272 -0.1312437 0.1290181 1.8920761 24 Be 1.8885207 -0.0426312 0.1214115 0.0429154 1.8556565 0.0019874 -0.1292143 -0.0658255 1.7102598 25 B 2.7072785 -0.0976028 0.1288648 -0.0951176 1.4461705 0.7868873 0.0340914 0.9425672 1.9885326 26 B 2.7072785 -0.0976028 -0.1288648 -0.0951176 1.4461705 -0.7868873 -0.0340914 -0.9425672 1.9885326 27 B 2.7072785 0.0976028 0.1288648 0.0951176 1.4461705 -0.7868873 0.0340914 -0.9425672 1.9885326 28 B 2.7072785 0.0976028 -0.1288648 0.0951176 1.4461705 0.7868873 -0.0340914 0.9425672 1.9885326 29 B 2.7072785 -0.0976028 0.1288648 -0.0951176 1.4461705 0.7868873 0.0340914 0.9425672 1.9885326 30 B 2.7072785 -0.0976028 -0.1288648 -0.0951176 1.4461705 -0.7868873 -0.0340914 -0.9425672 1.9885326 31 B 2.7072785 0.0976028 0.1288648 0.0951176 1.4461705 -0.7868873 0.0340914 -0.9425672 1.9885326 32 B 2.7072785 0.0976028 -0.1288648 0.0951176 1.4461705 0.7868873 -0.0340914 0.9425672 1.9885326 33 O -1.8354594 -0.2839014 0.2562405 -0.2628144 -1.2170402 0.5021765 0.2304773 0.5498688 -1.7741838 34 O -2.2909918 0.0247908 0.0422286 0.0079187 -1.3331655 0.2411859 0.0751175 0.3669628 -1.2070390 35 O -2.2909918 0.0247908 -0.0422286 0.0079187 -1.3331655 -0.2411859 -0.0751175 -0.3669628 -1.2070390 36 O -2.2909918 -0.0247908 0.0422286 -0.0079187 -1.3331655 -0.2411859 0.0751175 -0.3669628 -1.2070390 37 O -2.2909918 -0.0247908 -0.0422286 -0.0079187 -1.3331655 0.2411859 -0.0751175 0.3669628 -1.2070390 38 O -2.2909918 0.0247908 0.0422286 0.0079187 -1.3331655 0.2411859 0.0751175 0.3669628 -1.2070390 39 O -2.2909918 0.0247908 -0.0422286 0.0079187 -1.3331655 -0.2411859 -0.0751175 -0.3669628 -1.2070390 40 O -2.2909918 -0.0247908 0.0422286 -0.0079187 -1.3331655 -0.2411859 0.0751175 -0.3669628 -1.2070390 41 O -1.7289776 0.3609153 -0.0473455 0.3470869 -1.3206426 0.4884711 -0.0676607 0.6456333 -1.7269412 42 O -1.7289776 -0.3609153 0.0473455 -0.3470869 -1.3206426 0.4884711 0.0676607 0.6456333 -1.7269412 43 O -1.7289776 -0.3609153 -0.0473455 -0.3470869 -1.3206426 -0.4884711 -0.0676607 -0.6456333 -1.7269412 44 O -1.7289776 0.3609153 0.0473455 0.3470869 -1.3206426 -0.4884711 0.0676607 -0.6456333 -1.7269412 45 O -2.2909918 -0.0247908 -0.0422286 -0.0079187 -1.3331655 0.2411859 -0.0751175 0.3669628 -1.2070390 46 O -1.7289776 -0.3609153 0.0473455 -0.3470869 -1.3206426 0.4884711 0.0676607 0.6456333 -1.7269412 47 O -1.7289776 -0.3609153 -0.0473455 -0.3470869 -1.3206426 -0.4884711 -0.0676607 -0.6456333 -1.7269412 48 O -1.7289776 0.3609153 0.0473455 0.3470869 -1.3206426 -0.4884711 0.0676607 -0.6456333 -1.7269412 49 O -1.7289776 0.3609153 -0.0473455 0.3470869 -1.3206426 0.4884711 -0.0676607 0.6456333 -1.7269412 50 O -1.3816174 -0.0156207 -0.0061308 -0.0437992 -1.5993681 -0.3055246 0.0572539 -0.1802153 -1.4514243 51 O -1.3816174 -0.0156207 0.0061308 -0.0437992 -1.5993681 0.3055246 -0.0572539 0.1802153 -1.4514243 52 O -1.3816174 0.0156207 -0.0061308 0.0437992 -1.5993681 0.3055246 0.0572539 0.1802153 -1.4514243 53 O -1.3816174 0.0156207 0.0061308 0.0437992 -1.5993681 -0.3055246 -0.0572539 -0.1802153 -1.4514243 54 O -1.3816174 -0.0156207 -0.0061308 -0.0437992 -1.5993681 -0.3055246 0.0572539 -0.1802153 -1.4514243 55 O -1.3816174 -0.0156207 0.0061308 -0.0437992 -1.5993681 0.3055246 -0.0572539 0.1802153 -1.4514243 56 O -1.3816174 0.0156207 -0.0061308 0.0437992 -1.5993681 0.3055246 0.0572539 0.1802153 -1.4514243 57 O -1.8354594 -0.2839014 -0.2562405 -0.2628144 -1.2170402 -0.5021765 -0.2304773 -0.5498688 -1.7741838 58 O -1.8354594 0.2839014 0.2562405 0.2628144 -1.2170402 -0.5021765 0.2304773 -0.5498688 -1.7741838 59 O -1.8354594 0.2839014 -0.2562405 0.2628144 -1.2170402 0.5021765 -0.2304773 0.5498688 -1.7741838 60 O -1.8354594 -0.2839014 0.2562405 -0.2628144 -1.2170402 0.5021765 0.2304773 0.5498688 -1.7741838 61 O -1.8354594 -0.2839014 -0.2562405 -0.2628144 -1.2170402 -0.5021765 -0.2304773 -0.5498688 -1.7741838 62 O -1.8354594 0.2839014 0.2562405 0.2628144 -1.2170402 -0.5021765 0.2304773 -0.5498688 -1.7741838 63 O -1.8354594 0.2839014 -0.2562405 0.2628144 -1.2170402 0.5021765 -0.2304773 0.5498688 -1.7741838 64 O -1.3816174 0.0156207 0.0061308 0.0437992 -1.5993681 -0.3055246 -0.0572539 -0.1802153 -1.4514243 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 260 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 235 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 235 eigenvectors found. (2) Block: 524 / 524 (2) 260 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 56 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 56 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 56 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4680), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 11), data: (560, 19) @ (19, 11) |-- (60, 56), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 11), data: (560, 19) @ (19, 11) |-- (60, 56), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 11), data: (560, 19) @ (19, 11) |-- (60, 56), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 14), data: (524, 29) @ (29, 14) |-- (274, 260), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 13), data: (524, 28) @ (28, 13) |-- (274, 261), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 14), data: (524, 30) @ (30, 14) |-- (274, 260), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.372 Solver_block: 200 / 960 - Time: 1.215 Solver_block: 300 / 960 - Time: 1.185 Solver_block: 400 / 960 - Time: 1.206 Solver_block: 500 / 960 - Time: 1.215 Solver_block: 600 / 960 - Time: 1.216 Solver_block: 700 / 960 - Time: 1.205 Solver_block: 800 / 960 - Time: 1.204 Solver_block: 900 / 960 - Time: 1.205 Solver_block: 960 / 960 - Time: 0.830 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.184 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 260 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 235 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 235 eigenvectors found. (2) Block: 524 / 524 (2) 260 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 56 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 56 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 56 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4680), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 11), data: (560, 19) @ (19, 11) |-- (60, 56), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 11), data: (560, 19) @ (19, 11) |-- (60, 56), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 11), data: (560, 19) @ (19, 11) |-- (60, 56), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 14), data: (524, 29) @ (29, 14) |-- (274, 260), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 13), data: (524, 28) @ (28, 13) |-- (274, 261), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 14), data: (524, 30) @ (30, 14) |-- (274, 260), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 05:42:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:42:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.429795460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.794016239999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.056284880000000 Atomic positions (fractional): 1 H 0.46739307301279 0.81368527366614 0.77277532834504 1.008 2 H 0.46739307301279 0.68631472633386 0.27277532834503 1.008 3 H 0.03260692698721 0.31368527366614 0.77277532834504 1.008 4 H 0.53260692698721 0.18631472633386 0.22722467165496 1.008 5 H 0.03260692698721 0.18631472633386 0.27277532834503 1.008 6 H 0.53260692698721 0.31368527366614 0.72722467165496 1.008 7 H 0.96739307301279 0.68631472633386 0.22722467165496 1.008 8 H 0.96739307301279 0.81368527366614 0.72722467165496 1.008 9 Be 0.77822522135055 0.73513110573724 0.56895577243802 9.012 10 Be 0.27822522135055 0.76486889426276 0.43104422756198 9.012 11 Be 0.22177477864945 0.23513110573724 0.93104422756198 9.012 12 Be 0.26074973791689 0.49900763100022 0.81096691210654 9.012 13 Be 0.22177477864945 0.26486889426276 0.43104422756198 9.012 14 Be 0.72177477864945 0.23513110573724 0.56895577243802 9.012 15 Be 0.77822522135055 0.76486889426276 0.06895577243802 9.012 16 Be 0.27822522135055 0.73513110573724 0.93104422756198 9.012 17 Be 0.76074973791689 0.00099236899977 0.18903308789346 9.012 18 Be 0.73925026208311 0.99900763100023 0.68903308789346 9.012 19 Be 0.23925026208311 0.50099236899977 0.31096691210654 9.012 20 Be 0.73925026208311 0.50099236899977 0.18903308789346 9.012 21 Be 0.23925026208311 0.99900763100023 0.81096691210654 9.012 22 Be 0.26074973791689 0.00099236899977 0.31096691210654 9.012 23 Be 0.72177477864945 0.26486889426276 0.06895577243802 9.012 24 Be 0.76074973791689 0.49900763100022 0.68903308789346 9.012 25 B 0.77424510347348 0.60442323425057 0.89397782729684 10.811 26 B 0.27424510347348 0.60442323425057 0.60602217270316 10.811 27 B 0.77424510347348 0.89557676574943 0.39397782729684 10.811 28 B 0.72575489652652 0.10442323425057 0.89397782729684 10.811 29 B 0.22575489652652 0.39557676574943 0.10602217270316 10.811 30 B 0.72575489652652 0.39557676574943 0.39397782729684 10.811 31 B 0.22575489652652 0.10442323425057 0.60602217270316 10.811 32 B 0.27424510347348 0.89557676574943 0.10602217270316 10.811 33 O 0.11879087178960 0.53447539412591 0.68691962173920 15.999 34 O 0.08433972442844 0.90213140793753 0.39816292352399 15.999 35 O 0.41566027557156 0.09786859206247 0.89816292352399 15.999 36 O 0.91566027557156 0.40213140793753 0.10183707647601 15.999 37 O 0.41566027557156 0.40213140793753 0.39816292352399 15.999 38 O 0.91566027557156 0.09786859206247 0.60183707647601 15.999 39 O 0.58433972442844 0.90213140793753 0.10183707647601 15.999 40 O 0.08433972442844 0.59786859206247 0.89816292352399 15.999 41 O 0.11850379014134 0.68737481603341 0.53387107618769 15.999 42 O 0.61850379014134 0.81262518396659 0.46612892381231 15.999 43 O 0.88149620985866 0.18737481603342 0.96612892381231 15.999 44 O 0.38149620985866 0.31262518396659 0.03387107618769 15.999 45 O 0.58433972442844 0.59786859206247 0.60183707647601 15.999 46 O 0.38149620985866 0.18737481603342 0.53387107618769 15.999 47 O 0.11850379014134 0.81262518396659 0.03387107618769 15.999 48 O 0.61850379014134 0.68737481603341 0.96612892381231 15.999 49 O 0.88149620985866 0.31262518396659 0.46612892381231 15.999 50 O 0.29280488409603 0.66502782680021 0.32207907366261 15.999 51 O 0.20719511590397 0.33497217319979 0.82207907366261 15.999 52 O 0.70719511590397 0.16502782680021 0.17792092633739 15.999 53 O 0.20719511590397 0.16502782680021 0.32207907366261 15.999 54 O 0.70719511590397 0.33497217319979 0.67792092633739 15.999 55 O 0.79280488409603 0.66502782680021 0.17792092633739 15.999 56 O 0.29280488409603 0.83497217319979 0.82207907366261 15.999 57 O 0.61879087178960 0.53447539412591 0.81308037826080 15.999 58 O 0.11879087178960 0.96552460587409 0.18691962173920 15.999 59 O 0.38120912821040 0.03447539412591 0.68691962173920 15.999 60 O 0.88120912821040 0.46552460587409 0.31308037826080 15.999 61 O 0.38120912821040 0.46552460587409 0.18691962173920 15.999 62 O 0.88120912821040 0.03447539412591 0.81308037826080 15.999 63 O 0.61879087178960 0.96552460587409 0.31308037826080 15.999 64 O 0.79280488409603 0.83497217319979 0.67792092633739 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.859590920000002 0.000000000000000 0.000000000000000 b 0.000000000000000 9.794016239999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.056284880000000 Atomic positions (fractional): 1 H 0.23369653650640 0.81368527366614 0.77277532834504 1.008 > 1 2 H 0.73369653650640 0.81368527366614 0.77277532834504 1.008 > 1 3 H 0.23369653650640 0.68631472633386 0.27277532834503 1.008 > 3 4 H 0.73369653650640 0.68631472633386 0.27277532834503 1.008 > 3 5 H 0.01630346349360 0.31368527366614 0.77277532834504 1.008 > 5 6 H 0.51630346349360 0.31368527366614 0.77277532834504 1.008 > 5 7 H 0.26630346349360 0.18631472633386 0.22722467165496 1.008 > 7 8 H 0.76630346349360 0.18631472633386 0.22722467165496 1.008 > 7 9 H 0.01630346349360 0.18631472633386 0.27277532834503 1.008 > 9 10 H 0.51630346349360 0.18631472633386 0.27277532834503 1.008 > 9 11 H 0.26630346349360 0.31368527366614 0.72722467165496 1.008 > 11 12 H 0.76630346349360 0.31368527366614 0.72722467165496 1.008 > 11 13 H 0.48369653650640 0.68631472633386 0.22722467165496 1.008 > 13 14 H 0.98369653650640 0.68631472633386 0.22722467165496 1.008 > 13 15 H 0.48369653650640 0.81368527366614 0.72722467165496 1.008 > 15 16 H 0.98369653650640 0.81368527366614 0.72722467165496 1.008 > 15 17 Be 0.38911261067527 0.73513110573724 0.56895577243802 9.012 > 17 18 Be 0.88911261067527 0.73513110573724 0.56895577243802 9.012 > 17 19 Be 0.13911261067527 0.76486889426276 0.43104422756198 9.012 > 19 20 Be 0.63911261067527 0.76486889426276 0.43104422756198 9.012 > 19 21 Be 0.11088738932473 0.23513110573724 0.93104422756198 9.012 > 21 22 Be 0.61088738932473 0.23513110573724 0.93104422756198 9.012 > 21 23 Be 0.13037486895845 0.49900763100022 0.81096691210654 9.012 > 23 24 Be 0.63037486895845 0.49900763100022 0.81096691210654 9.012 > 23 25 Be 0.11088738932473 0.26486889426276 0.43104422756198 9.012 > 25 26 Be 0.61088738932473 0.26486889426276 0.43104422756198 9.012 > 25 27 Be 0.36088738932473 0.23513110573724 0.56895577243802 9.012 > 27 28 Be 0.86088738932473 0.23513110573724 0.56895577243802 9.012 > 27 29 Be 0.38911261067527 0.76486889426276 0.06895577243802 9.012 > 29 30 Be 0.88911261067527 0.76486889426276 0.06895577243802 9.012 > 29 31 Be 0.13911261067527 0.73513110573724 0.93104422756198 9.012 > 31 32 Be 0.63911261067527 0.73513110573724 0.93104422756198 9.012 > 31 33 Be 0.38037486895845 0.00099236899977 0.18903308789346 9.012 > 33 34 Be 0.88037486895845 0.00099236899977 0.18903308789346 9.012 > 33 35 Be 0.36962513104155 0.99900763100023 0.68903308789346 9.012 > 35 36 Be 0.86962513104155 0.99900763100023 0.68903308789346 9.012 > 35 37 Be 0.11962513104155 0.50099236899977 0.31096691210654 9.012 > 37 38 Be 0.61962513104155 0.50099236899977 0.31096691210654 9.012 > 37 39 Be 0.36962513104155 0.50099236899977 0.18903308789346 9.012 > 39 40 Be 0.86962513104155 0.50099236899977 0.18903308789346 9.012 > 39 41 Be 0.11962513104155 0.99900763100023 0.81096691210654 9.012 > 41 42 Be 0.61962513104155 0.99900763100023 0.81096691210654 9.012 > 41 43 Be 0.13037486895845 0.00099236899977 0.31096691210654 9.012 > 43 44 Be 0.63037486895845 0.00099236899977 0.31096691210654 9.012 > 43 45 Be 0.36088738932473 0.26486889426276 0.06895577243802 9.012 > 45 46 Be 0.86088738932473 0.26486889426276 0.06895577243802 9.012 > 45 47 Be 0.38037486895845 0.49900763100022 0.68903308789346 9.012 > 47 48 Be 0.88037486895845 0.49900763100022 0.68903308789346 9.012 > 47 49 B 0.38712255173674 0.60442323425057 0.89397782729684 10.811 > 49 50 B 0.88712255173674 0.60442323425057 0.89397782729684 10.811 > 49 51 B 0.13712255173674 0.60442323425057 0.60602217270316 10.811 > 51 52 B 0.63712255173674 0.60442323425057 0.60602217270316 10.811 > 51 53 B 0.38712255173674 0.89557676574943 0.39397782729684 10.811 > 53 54 B 0.88712255173674 0.89557676574943 0.39397782729684 10.811 > 53 55 B 0.36287744826326 0.10442323425057 0.89397782729684 10.811 > 55 56 B 0.86287744826326 0.10442323425057 0.89397782729684 10.811 > 55 57 B 0.11287744826326 0.39557676574943 0.10602217270316 10.811 > 57 58 B 0.61287744826326 0.39557676574943 0.10602217270316 10.811 > 57 59 B 0.36287744826326 0.39557676574943 0.39397782729684 10.811 > 59 60 B 0.86287744826326 0.39557676574943 0.39397782729684 10.811 > 59 61 B 0.11287744826326 0.10442323425057 0.60602217270316 10.811 > 61 62 B 0.61287744826326 0.10442323425057 0.60602217270316 10.811 > 61 63 B 0.13712255173674 0.89557676574943 0.10602217270316 10.811 > 63 64 B 0.63712255173674 0.89557676574943 0.10602217270316 10.811 > 63 65 O 0.05939543589480 0.53447539412591 0.68691962173920 15.999 > 65 66 O 0.55939543589480 0.53447539412591 0.68691962173920 15.999 > 65 67 O 0.04216986221422 0.90213140793753 0.39816292352399 15.999 > 67 68 O 0.54216986221422 0.90213140793753 0.39816292352399 15.999 > 67 69 O 0.20783013778578 0.09786859206247 0.89816292352399 15.999 > 69 70 O 0.70783013778578 0.09786859206247 0.89816292352399 15.999 > 69 71 O 0.45783013778578 0.40213140793753 0.10183707647601 15.999 > 71 72 O 0.95783013778578 0.40213140793753 0.10183707647601 15.999 > 71 73 O 0.20783013778578 0.40213140793753 0.39816292352399 15.999 > 73 74 O 0.70783013778578 0.40213140793753 0.39816292352399 15.999 > 73 75 O 0.45783013778578 0.09786859206247 0.60183707647601 15.999 > 75 76 O 0.95783013778578 0.09786859206247 0.60183707647601 15.999 > 75 77 O 0.29216986221422 0.90213140793753 0.10183707647601 15.999 > 77 78 O 0.79216986221422 0.90213140793753 0.10183707647601 15.999 > 77 79 O 0.04216986221422 0.59786859206247 0.89816292352399 15.999 > 79 80 O 0.54216986221422 0.59786859206247 0.89816292352399 15.999 > 79 81 O 0.05925189507067 0.68737481603341 0.53387107618769 15.999 > 81 82 O 0.55925189507067 0.68737481603341 0.53387107618769 15.999 > 81 83 O 0.30925189507067 0.81262518396659 0.46612892381231 15.999 > 83 84 O 0.80925189507067 0.81262518396659 0.46612892381231 15.999 > 83 85 O 0.44074810492933 0.18737481603342 0.96612892381231 15.999 > 85 86 O 0.94074810492933 0.18737481603342 0.96612892381231 15.999 > 85 87 O 0.19074810492933 0.31262518396659 0.03387107618769 15.999 > 87 88 O 0.69074810492933 0.31262518396659 0.03387107618769 15.999 > 87 89 O 0.29216986221422 0.59786859206247 0.60183707647601 15.999 > 89 90 O 0.79216986221422 0.59786859206247 0.60183707647601 15.999 > 89 91 O 0.19074810492933 0.18737481603342 0.53387107618769 15.999 > 91 92 O 0.69074810492933 0.18737481603342 0.53387107618769 15.999 > 91 93 O 0.05925189507067 0.81262518396659 0.03387107618769 15.999 > 93 94 O 0.55925189507067 0.81262518396659 0.03387107618769 15.999 > 93 95 O 0.30925189507067 0.68737481603341 0.96612892381231 15.999 > 95 96 O 0.80925189507067 0.68737481603341 0.96612892381231 15.999 > 95 97 O 0.44074810492933 0.31262518396659 0.46612892381231 15.999 > 97 98 O 0.94074810492933 0.31262518396659 0.46612892381231 15.999 > 97 99 O 0.14640244204802 0.66502782680021 0.32207907366261 15.999 > 99 100 O 0.64640244204802 0.66502782680021 0.32207907366261 15.999 > 99 101 O 0.10359755795198 0.33497217319979 0.82207907366261 15.999 > 101 102 O 0.60359755795198 0.33497217319979 0.82207907366261 15.999 > 101 103 O 0.35359755795198 0.16502782680021 0.17792092633739 15.999 > 103 104 O 0.85359755795198 0.16502782680021 0.17792092633739 15.999 > 103 105 O 0.10359755795198 0.16502782680021 0.32207907366261 15.999 > 105 106 O 0.60359755795198 0.16502782680021 0.32207907366261 15.999 > 105 107 O 0.35359755795198 0.33497217319979 0.67792092633739 15.999 > 107 108 O 0.85359755795198 0.33497217319979 0.67792092633739 15.999 > 107 109 O 0.39640244204802 0.66502782680021 0.17792092633739 15.999 > 109 110 O 0.89640244204802 0.66502782680021 0.17792092633739 15.999 > 109 111 O 0.14640244204802 0.83497217319979 0.82207907366261 15.999 > 111 112 O 0.64640244204802 0.83497217319979 0.82207907366261 15.999 > 111 113 O 0.30939543589480 0.53447539412591 0.81308037826080 15.999 > 113 114 O 0.80939543589480 0.53447539412591 0.81308037826080 15.999 > 113 115 O 0.05939543589480 0.96552460587409 0.18691962173920 15.999 > 115 116 O 0.55939543589480 0.96552460587409 0.18691962173920 15.999 > 115 117 O 0.19060456410520 0.03447539412591 0.68691962173920 15.999 > 117 118 O 0.69060456410520 0.03447539412591 0.68691962173920 15.999 > 117 119 O 0.44060456410520 0.46552460587409 0.31308037826080 15.999 > 119 120 O 0.94060456410520 0.46552460587409 0.31308037826080 15.999 > 119 121 O 0.19060456410520 0.46552460587409 0.18691962173920 15.999 > 121 122 O 0.69060456410520 0.46552460587409 0.18691962173920 15.999 > 121 123 O 0.44060456410520 0.03447539412591 0.81308037826080 15.999 > 123 124 O 0.94060456410520 0.03447539412591 0.81308037826080 15.999 > 123 125 O 0.30939543589480 0.96552460587409 0.31308037826080 15.999 > 125 126 O 0.80939543589480 0.96552460587409 0.31308037826080 15.999 > 125 127 O 0.39640244204802 0.83497217319979 0.67792092633739 15.999 > 127 128 O 0.89640244204802 0.83497217319979 0.67792092633739 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8363701 0.0000000 0.0000000 0.0000000 2.5572075 0.0000000 0.0000000 0.0000000 2.6762205 -------------------------- Born effective charges -------------------------- 1 H 0.7852827 -0.0063330 -0.3588837 0.0208677 0.4057815 -0.0284825 -0.3135462 -0.0171576 0.5687197 2 H 0.7852827 0.0063330 -0.3588837 -0.0208677 0.4057815 0.0284825 -0.3135462 0.0171576 0.5687197 3 H 0.7852827 0.0063330 0.3588837 -0.0208677 0.4057815 -0.0284825 0.3135462 -0.0171576 0.5687197 4 H 0.7852827 -0.0063330 -0.3588837 0.0208677 0.4057815 -0.0284825 -0.3135462 -0.0171576 0.5687197 5 H 0.7852827 -0.0063330 0.3588837 0.0208677 0.4057815 0.0284825 0.3135462 0.0171576 0.5687197 6 H 0.7852827 0.0063330 -0.3588837 -0.0208677 0.4057815 0.0284825 -0.3135462 0.0171576 0.5687197 7 H 0.7852827 0.0063330 0.3588837 -0.0208677 0.4057815 -0.0284825 0.3135462 -0.0171576 0.5687197 8 H 0.7852827 -0.0063330 0.3588837 0.0208677 0.4057815 0.0284825 0.3135462 0.0171576 0.5687197 9 Be 1.8559642 0.1125432 -0.0956262 -0.0760937 1.7626078 0.0644272 0.1312437 -0.1290181 1.8920761 10 Be 1.8559642 -0.1125432 0.0956262 0.0760937 1.7626078 0.0644272 -0.1312437 -0.1290181 1.8920761 11 Be 1.8559642 -0.1125432 -0.0956262 0.0760937 1.7626078 -0.0644272 0.1312437 0.1290181 1.8920761 12 Be 1.8885207 -0.0426312 -0.1214115 0.0429154 1.8556565 -0.0019874 0.1292143 0.0658255 1.7102598 13 Be 1.8559642 0.1125432 -0.0956262 -0.0760937 1.7626078 0.0644272 0.1312437 -0.1290181 1.8920761 14 Be 1.8559642 -0.1125432 0.0956262 0.0760937 1.7626078 0.0644272 -0.1312437 -0.1290181 1.8920761 15 Be 1.8559642 -0.1125432 -0.0956262 0.0760937 1.7626078 -0.0644272 0.1312437 0.1290181 1.8920761 16 Be 1.8559642 0.1125432 0.0956262 -0.0760937 1.7626078 -0.0644272 -0.1312437 0.1290181 1.8920761 17 Be 1.8885207 0.0426312 0.1214115 -0.0429154 1.8556565 -0.0019874 -0.1292143 0.0658255 1.7102598 18 Be 1.8885207 0.0426312 -0.1214115 -0.0429154 1.8556565 0.0019874 0.1292143 -0.0658255 1.7102598 19 Be 1.8885207 -0.0426312 0.1214115 0.0429154 1.8556565 0.0019874 -0.1292143 -0.0658255 1.7102598 20 Be 1.8885207 -0.0426312 -0.1214115 0.0429154 1.8556565 -0.0019874 0.1292143 0.0658255 1.7102598 21 Be 1.8885207 0.0426312 0.1214115 -0.0429154 1.8556565 -0.0019874 -0.1292143 0.0658255 1.7102598 22 Be 1.8885207 0.0426312 -0.1214115 -0.0429154 1.8556565 0.0019874 0.1292143 -0.0658255 1.7102598 23 Be 1.8559642 0.1125432 0.0956262 -0.0760937 1.7626078 -0.0644272 -0.1312437 0.1290181 1.8920761 24 Be 1.8885207 -0.0426312 0.1214115 0.0429154 1.8556565 0.0019874 -0.1292143 -0.0658255 1.7102598 25 B 2.7072785 -0.0976028 0.1288648 -0.0951176 1.4461705 0.7868873 0.0340914 0.9425672 1.9885326 26 B 2.7072785 -0.0976028 -0.1288648 -0.0951176 1.4461705 -0.7868873 -0.0340914 -0.9425672 1.9885326 27 B 2.7072785 0.0976028 0.1288648 0.0951176 1.4461705 -0.7868873 0.0340914 -0.9425672 1.9885326 28 B 2.7072785 0.0976028 -0.1288648 0.0951176 1.4461705 0.7868873 -0.0340914 0.9425672 1.9885326 29 B 2.7072785 -0.0976028 0.1288648 -0.0951176 1.4461705 0.7868873 0.0340914 0.9425672 1.9885326 30 B 2.7072785 -0.0976028 -0.1288648 -0.0951176 1.4461705 -0.7868873 -0.0340914 -0.9425672 1.9885326 31 B 2.7072785 0.0976028 0.1288648 0.0951176 1.4461705 -0.7868873 0.0340914 -0.9425672 1.9885326 32 B 2.7072785 0.0976028 -0.1288648 0.0951176 1.4461705 0.7868873 -0.0340914 0.9425672 1.9885326 33 O -1.8354594 -0.2839014 0.2562405 -0.2628144 -1.2170402 0.5021765 0.2304773 0.5498688 -1.7741838 34 O -2.2909918 0.0247908 0.0422286 0.0079187 -1.3331655 0.2411859 0.0751175 0.3669628 -1.2070390 35 O -2.2909918 0.0247908 -0.0422286 0.0079187 -1.3331655 -0.2411859 -0.0751175 -0.3669628 -1.2070390 36 O -2.2909918 -0.0247908 0.0422286 -0.0079187 -1.3331655 -0.2411859 0.0751175 -0.3669628 -1.2070390 37 O -2.2909918 -0.0247908 -0.0422286 -0.0079187 -1.3331655 0.2411859 -0.0751175 0.3669628 -1.2070390 38 O -2.2909918 0.0247908 0.0422286 0.0079187 -1.3331655 0.2411859 0.0751175 0.3669628 -1.2070390 39 O -2.2909918 0.0247908 -0.0422286 0.0079187 -1.3331655 -0.2411859 -0.0751175 -0.3669628 -1.2070390 40 O -2.2909918 -0.0247908 0.0422286 -0.0079187 -1.3331655 -0.2411859 0.0751175 -0.3669628 -1.2070390 41 O -1.7289776 0.3609153 -0.0473455 0.3470869 -1.3206426 0.4884711 -0.0676607 0.6456333 -1.7269412 42 O -1.7289776 -0.3609153 0.0473455 -0.3470869 -1.3206426 0.4884711 0.0676607 0.6456333 -1.7269412 43 O -1.7289776 -0.3609153 -0.0473455 -0.3470869 -1.3206426 -0.4884711 -0.0676607 -0.6456333 -1.7269412 44 O -1.7289776 0.3609153 0.0473455 0.3470869 -1.3206426 -0.4884711 0.0676607 -0.6456333 -1.7269412 45 O -2.2909918 -0.0247908 -0.0422286 -0.0079187 -1.3331655 0.2411859 -0.0751175 0.3669628 -1.2070390 46 O -1.7289776 -0.3609153 0.0473455 -0.3470869 -1.3206426 0.4884711 0.0676607 0.6456333 -1.7269412 47 O -1.7289776 -0.3609153 -0.0473455 -0.3470869 -1.3206426 -0.4884711 -0.0676607 -0.6456333 -1.7269412 48 O -1.7289776 0.3609153 0.0473455 0.3470869 -1.3206426 -0.4884711 0.0676607 -0.6456333 -1.7269412 49 O -1.7289776 0.3609153 -0.0473455 0.3470869 -1.3206426 0.4884711 -0.0676607 0.6456333 -1.7269412 50 O -1.3816174 -0.0156207 -0.0061308 -0.0437992 -1.5993681 -0.3055246 0.0572539 -0.1802153 -1.4514243 51 O -1.3816174 -0.0156207 0.0061308 -0.0437992 -1.5993681 0.3055246 -0.0572539 0.1802153 -1.4514243 52 O -1.3816174 0.0156207 -0.0061308 0.0437992 -1.5993681 0.3055246 0.0572539 0.1802153 -1.4514243 53 O -1.3816174 0.0156207 0.0061308 0.0437992 -1.5993681 -0.3055246 -0.0572539 -0.1802153 -1.4514243 54 O -1.3816174 -0.0156207 -0.0061308 -0.0437992 -1.5993681 -0.3055246 0.0572539 -0.1802153 -1.4514243 55 O -1.3816174 -0.0156207 0.0061308 -0.0437992 -1.5993681 0.3055246 -0.0572539 0.1802153 -1.4514243 56 O -1.3816174 0.0156207 -0.0061308 0.0437992 -1.5993681 0.3055246 0.0572539 0.1802153 -1.4514243 57 O -1.8354594 -0.2839014 -0.2562405 -0.2628144 -1.2170402 -0.5021765 -0.2304773 -0.5498688 -1.7741838 58 O -1.8354594 0.2839014 0.2562405 0.2628144 -1.2170402 -0.5021765 0.2304773 -0.5498688 -1.7741838 59 O -1.8354594 0.2839014 -0.2562405 0.2628144 -1.2170402 0.5021765 -0.2304773 0.5498688 -1.7741838 60 O -1.8354594 -0.2839014 0.2562405 -0.2628144 -1.2170402 0.5021765 0.2304773 0.5498688 -1.7741838 61 O -1.8354594 -0.2839014 -0.2562405 -0.2628144 -1.2170402 -0.5021765 -0.2304773 -0.5498688 -1.7741838 62 O -1.8354594 0.2839014 0.2562405 0.2628144 -1.2170402 -0.5021765 0.2304773 -0.5498688 -1.7741838 63 O -1.8354594 0.2839014 -0.2562405 0.2628144 -1.2170402 0.5021765 -0.2304773 0.5498688 -1.7741838 64 O -1.3816174 0.0156207 0.0061308 0.0437992 -1.5993681 -0.3055246 -0.0572539 -0.1802153 -1.4514243 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 23, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 99, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) 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 05:43:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:43:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.429795460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.794016239999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.056284880000000 Atomic positions (fractional): 1 H 0.46739307301279 0.81368527366614 0.77277532834504 1.008 2 H 0.46739307301279 0.68631472633386 0.27277532834503 1.008 3 H 0.03260692698721 0.31368527366614 0.77277532834504 1.008 4 H 0.53260692698721 0.18631472633386 0.22722467165496 1.008 5 H 0.03260692698721 0.18631472633386 0.27277532834503 1.008 6 H 0.53260692698721 0.31368527366614 0.72722467165496 1.008 7 H 0.96739307301279 0.68631472633386 0.22722467165496 1.008 8 H 0.96739307301279 0.81368527366614 0.72722467165496 1.008 9 Be 0.77822522135055 0.73513110573724 0.56895577243802 9.012 10 Be 0.27822522135055 0.76486889426276 0.43104422756198 9.012 11 Be 0.22177477864945 0.23513110573724 0.93104422756198 9.012 12 Be 0.26074973791689 0.49900763100022 0.81096691210654 9.012 13 Be 0.22177477864945 0.26486889426276 0.43104422756198 9.012 14 Be 0.72177477864945 0.23513110573724 0.56895577243802 9.012 15 Be 0.77822522135055 0.76486889426276 0.06895577243802 9.012 16 Be 0.27822522135055 0.73513110573724 0.93104422756198 9.012 17 Be 0.76074973791689 0.00099236899977 0.18903308789346 9.012 18 Be 0.73925026208311 0.99900763100023 0.68903308789346 9.012 19 Be 0.23925026208311 0.50099236899977 0.31096691210654 9.012 20 Be 0.73925026208311 0.50099236899977 0.18903308789346 9.012 21 Be 0.23925026208311 0.99900763100023 0.81096691210654 9.012 22 Be 0.26074973791689 0.00099236899977 0.31096691210654 9.012 23 Be 0.72177477864945 0.26486889426276 0.06895577243802 9.012 24 Be 0.76074973791689 0.49900763100022 0.68903308789346 9.012 25 B 0.77424510347348 0.60442323425057 0.89397782729684 10.811 26 B 0.27424510347348 0.60442323425057 0.60602217270316 10.811 27 B 0.77424510347348 0.89557676574943 0.39397782729684 10.811 28 B 0.72575489652652 0.10442323425057 0.89397782729684 10.811 29 B 0.22575489652652 0.39557676574943 0.10602217270316 10.811 30 B 0.72575489652652 0.39557676574943 0.39397782729684 10.811 31 B 0.22575489652652 0.10442323425057 0.60602217270316 10.811 32 B 0.27424510347348 0.89557676574943 0.10602217270316 10.811 33 O 0.11879087178960 0.53447539412591 0.68691962173920 15.999 34 O 0.08433972442844 0.90213140793753 0.39816292352399 15.999 35 O 0.41566027557156 0.09786859206247 0.89816292352399 15.999 36 O 0.91566027557156 0.40213140793753 0.10183707647601 15.999 37 O 0.41566027557156 0.40213140793753 0.39816292352399 15.999 38 O 0.91566027557156 0.09786859206247 0.60183707647601 15.999 39 O 0.58433972442844 0.90213140793753 0.10183707647601 15.999 40 O 0.08433972442844 0.59786859206247 0.89816292352399 15.999 41 O 0.11850379014134 0.68737481603341 0.53387107618769 15.999 42 O 0.61850379014134 0.81262518396659 0.46612892381231 15.999 43 O 0.88149620985866 0.18737481603342 0.96612892381231 15.999 44 O 0.38149620985866 0.31262518396659 0.03387107618769 15.999 45 O 0.58433972442844 0.59786859206247 0.60183707647601 15.999 46 O 0.38149620985866 0.18737481603342 0.53387107618769 15.999 47 O 0.11850379014134 0.81262518396659 0.03387107618769 15.999 48 O 0.61850379014134 0.68737481603341 0.96612892381231 15.999 49 O 0.88149620985866 0.31262518396659 0.46612892381231 15.999 50 O 0.29280488409603 0.66502782680021 0.32207907366261 15.999 51 O 0.20719511590397 0.33497217319979 0.82207907366261 15.999 52 O 0.70719511590397 0.16502782680021 0.17792092633739 15.999 53 O 0.20719511590397 0.16502782680021 0.32207907366261 15.999 54 O 0.70719511590397 0.33497217319979 0.67792092633739 15.999 55 O 0.79280488409603 0.66502782680021 0.17792092633739 15.999 56 O 0.29280488409603 0.83497217319979 0.82207907366261 15.999 57 O 0.61879087178960 0.53447539412591 0.81308037826080 15.999 58 O 0.11879087178960 0.96552460587409 0.18691962173920 15.999 59 O 0.38120912821040 0.03447539412591 0.68691962173920 15.999 60 O 0.88120912821040 0.46552460587409 0.31308037826080 15.999 61 O 0.38120912821040 0.46552460587409 0.18691962173920 15.999 62 O 0.88120912821040 0.03447539412591 0.81308037826080 15.999 63 O 0.61879087178960 0.96552460587409 0.31308037826080 15.999 64 O 0.79280488409603 0.83497217319979 0.67792092633739 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.859590920000002 0.000000000000000 0.000000000000000 b 0.000000000000000 9.794016239999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.056284880000000 Atomic positions (fractional): 1 H 0.23369653650640 0.81368527366614 0.77277532834504 1.008 > 1 2 H 0.73369653650640 0.81368527366614 0.77277532834504 1.008 > 1 3 H 0.23369653650640 0.68631472633386 0.27277532834503 1.008 > 3 4 H 0.73369653650640 0.68631472633386 0.27277532834503 1.008 > 3 5 H 0.01630346349360 0.31368527366614 0.77277532834504 1.008 > 5 6 H 0.51630346349360 0.31368527366614 0.77277532834504 1.008 > 5 7 H 0.26630346349360 0.18631472633386 0.22722467165496 1.008 > 7 8 H 0.76630346349360 0.18631472633386 0.22722467165496 1.008 > 7 9 H 0.01630346349360 0.18631472633386 0.27277532834503 1.008 > 9 10 H 0.51630346349360 0.18631472633386 0.27277532834503 1.008 > 9 11 H 0.26630346349360 0.31368527366614 0.72722467165496 1.008 > 11 12 H 0.76630346349360 0.31368527366614 0.72722467165496 1.008 > 11 13 H 0.48369653650640 0.68631472633386 0.22722467165496 1.008 > 13 14 H 0.98369653650640 0.68631472633386 0.22722467165496 1.008 > 13 15 H 0.48369653650640 0.81368527366614 0.72722467165496 1.008 > 15 16 H 0.98369653650640 0.81368527366614 0.72722467165496 1.008 > 15 17 Be 0.38911261067527 0.73513110573724 0.56895577243802 9.012 > 17 18 Be 0.88911261067527 0.73513110573724 0.56895577243802 9.012 > 17 19 Be 0.13911261067527 0.76486889426276 0.43104422756198 9.012 > 19 20 Be 0.63911261067527 0.76486889426276 0.43104422756198 9.012 > 19 21 Be 0.11088738932473 0.23513110573724 0.93104422756198 9.012 > 21 22 Be 0.61088738932473 0.23513110573724 0.93104422756198 9.012 > 21 23 Be 0.13037486895845 0.49900763100022 0.81096691210654 9.012 > 23 24 Be 0.63037486895845 0.49900763100022 0.81096691210654 9.012 > 23 25 Be 0.11088738932473 0.26486889426276 0.43104422756198 9.012 > 25 26 Be 0.61088738932473 0.26486889426276 0.43104422756198 9.012 > 25 27 Be 0.36088738932473 0.23513110573724 0.56895577243802 9.012 > 27 28 Be 0.86088738932473 0.23513110573724 0.56895577243802 9.012 > 27 29 Be 0.38911261067527 0.76486889426276 0.06895577243802 9.012 > 29 30 Be 0.88911261067527 0.76486889426276 0.06895577243802 9.012 > 29 31 Be 0.13911261067527 0.73513110573724 0.93104422756198 9.012 > 31 32 Be 0.63911261067527 0.73513110573724 0.93104422756198 9.012 > 31 33 Be 0.38037486895845 0.00099236899977 0.18903308789346 9.012 > 33 34 Be 0.88037486895845 0.00099236899977 0.18903308789346 9.012 > 33 35 Be 0.36962513104155 0.99900763100023 0.68903308789346 9.012 > 35 36 Be 0.86962513104155 0.99900763100023 0.68903308789346 9.012 > 35 37 Be 0.11962513104155 0.50099236899977 0.31096691210654 9.012 > 37 38 Be 0.61962513104155 0.50099236899977 0.31096691210654 9.012 > 37 39 Be 0.36962513104155 0.50099236899977 0.18903308789346 9.012 > 39 40 Be 0.86962513104155 0.50099236899977 0.18903308789346 9.012 > 39 41 Be 0.11962513104155 0.99900763100023 0.81096691210654 9.012 > 41 42 Be 0.61962513104155 0.99900763100023 0.81096691210654 9.012 > 41 43 Be 0.13037486895845 0.00099236899977 0.31096691210654 9.012 > 43 44 Be 0.63037486895845 0.00099236899977 0.31096691210654 9.012 > 43 45 Be 0.36088738932473 0.26486889426276 0.06895577243802 9.012 > 45 46 Be 0.86088738932473 0.26486889426276 0.06895577243802 9.012 > 45 47 Be 0.38037486895845 0.49900763100022 0.68903308789346 9.012 > 47 48 Be 0.88037486895845 0.49900763100022 0.68903308789346 9.012 > 47 49 B 0.38712255173674 0.60442323425057 0.89397782729684 10.811 > 49 50 B 0.88712255173674 0.60442323425057 0.89397782729684 10.811 > 49 51 B 0.13712255173674 0.60442323425057 0.60602217270316 10.811 > 51 52 B 0.63712255173674 0.60442323425057 0.60602217270316 10.811 > 51 53 B 0.38712255173674 0.89557676574943 0.39397782729684 10.811 > 53 54 B 0.88712255173674 0.89557676574943 0.39397782729684 10.811 > 53 55 B 0.36287744826326 0.10442323425057 0.89397782729684 10.811 > 55 56 B 0.86287744826326 0.10442323425057 0.89397782729684 10.811 > 55 57 B 0.11287744826326 0.39557676574943 0.10602217270316 10.811 > 57 58 B 0.61287744826326 0.39557676574943 0.10602217270316 10.811 > 57 59 B 0.36287744826326 0.39557676574943 0.39397782729684 10.811 > 59 60 B 0.86287744826326 0.39557676574943 0.39397782729684 10.811 > 59 61 B 0.11287744826326 0.10442323425057 0.60602217270316 10.811 > 61 62 B 0.61287744826326 0.10442323425057 0.60602217270316 10.811 > 61 63 B 0.13712255173674 0.89557676574943 0.10602217270316 10.811 > 63 64 B 0.63712255173674 0.89557676574943 0.10602217270316 10.811 > 63 65 O 0.05939543589480 0.53447539412591 0.68691962173920 15.999 > 65 66 O 0.55939543589480 0.53447539412591 0.68691962173920 15.999 > 65 67 O 0.04216986221422 0.90213140793753 0.39816292352399 15.999 > 67 68 O 0.54216986221422 0.90213140793753 0.39816292352399 15.999 > 67 69 O 0.20783013778578 0.09786859206247 0.89816292352399 15.999 > 69 70 O 0.70783013778578 0.09786859206247 0.89816292352399 15.999 > 69 71 O 0.45783013778578 0.40213140793753 0.10183707647601 15.999 > 71 72 O 0.95783013778578 0.40213140793753 0.10183707647601 15.999 > 71 73 O 0.20783013778578 0.40213140793753 0.39816292352399 15.999 > 73 74 O 0.70783013778578 0.40213140793753 0.39816292352399 15.999 > 73 75 O 0.45783013778578 0.09786859206247 0.60183707647601 15.999 > 75 76 O 0.95783013778578 0.09786859206247 0.60183707647601 15.999 > 75 77 O 0.29216986221422 0.90213140793753 0.10183707647601 15.999 > 77 78 O 0.79216986221422 0.90213140793753 0.10183707647601 15.999 > 77 79 O 0.04216986221422 0.59786859206247 0.89816292352399 15.999 > 79 80 O 0.54216986221422 0.59786859206247 0.89816292352399 15.999 > 79 81 O 0.05925189507067 0.68737481603341 0.53387107618769 15.999 > 81 82 O 0.55925189507067 0.68737481603341 0.53387107618769 15.999 > 81 83 O 0.30925189507067 0.81262518396659 0.46612892381231 15.999 > 83 84 O 0.80925189507067 0.81262518396659 0.46612892381231 15.999 > 83 85 O 0.44074810492933 0.18737481603342 0.96612892381231 15.999 > 85 86 O 0.94074810492933 0.18737481603342 0.96612892381231 15.999 > 85 87 O 0.19074810492933 0.31262518396659 0.03387107618769 15.999 > 87 88 O 0.69074810492933 0.31262518396659 0.03387107618769 15.999 > 87 89 O 0.29216986221422 0.59786859206247 0.60183707647601 15.999 > 89 90 O 0.79216986221422 0.59786859206247 0.60183707647601 15.999 > 89 91 O 0.19074810492933 0.18737481603342 0.53387107618769 15.999 > 91 92 O 0.69074810492933 0.18737481603342 0.53387107618769 15.999 > 91 93 O 0.05925189507067 0.81262518396659 0.03387107618769 15.999 > 93 94 O 0.55925189507067 0.81262518396659 0.03387107618769 15.999 > 93 95 O 0.30925189507067 0.68737481603341 0.96612892381231 15.999 > 95 96 O 0.80925189507067 0.68737481603341 0.96612892381231 15.999 > 95 97 O 0.44074810492933 0.31262518396659 0.46612892381231 15.999 > 97 98 O 0.94074810492933 0.31262518396659 0.46612892381231 15.999 > 97 99 O 0.14640244204802 0.66502782680021 0.32207907366261 15.999 > 99 100 O 0.64640244204802 0.66502782680021 0.32207907366261 15.999 > 99 101 O 0.10359755795198 0.33497217319979 0.82207907366261 15.999 > 101 102 O 0.60359755795198 0.33497217319979 0.82207907366261 15.999 > 101 103 O 0.35359755795198 0.16502782680021 0.17792092633739 15.999 > 103 104 O 0.85359755795198 0.16502782680021 0.17792092633739 15.999 > 103 105 O 0.10359755795198 0.16502782680021 0.32207907366261 15.999 > 105 106 O 0.60359755795198 0.16502782680021 0.32207907366261 15.999 > 105 107 O 0.35359755795198 0.33497217319979 0.67792092633739 15.999 > 107 108 O 0.85359755795198 0.33497217319979 0.67792092633739 15.999 > 107 109 O 0.39640244204802 0.66502782680021 0.17792092633739 15.999 > 109 110 O 0.89640244204802 0.66502782680021 0.17792092633739 15.999 > 109 111 O 0.14640244204802 0.83497217319979 0.82207907366261 15.999 > 111 112 O 0.64640244204802 0.83497217319979 0.82207907366261 15.999 > 111 113 O 0.30939543589480 0.53447539412591 0.81308037826080 15.999 > 113 114 O 0.80939543589480 0.53447539412591 0.81308037826080 15.999 > 113 115 O 0.05939543589480 0.96552460587409 0.18691962173920 15.999 > 115 116 O 0.55939543589480 0.96552460587409 0.18691962173920 15.999 > 115 117 O 0.19060456410520 0.03447539412591 0.68691962173920 15.999 > 117 118 O 0.69060456410520 0.03447539412591 0.68691962173920 15.999 > 117 119 O 0.44060456410520 0.46552460587409 0.31308037826080 15.999 > 119 120 O 0.94060456410520 0.46552460587409 0.31308037826080 15.999 > 119 121 O 0.19060456410520 0.46552460587409 0.18691962173920 15.999 > 121 122 O 0.69060456410520 0.46552460587409 0.18691962173920 15.999 > 121 123 O 0.44060456410520 0.03447539412591 0.81308037826080 15.999 > 123 124 O 0.94060456410520 0.03447539412591 0.81308037826080 15.999 > 123 125 O 0.30939543589480 0.96552460587409 0.31308037826080 15.999 > 125 126 O 0.80939543589480 0.96552460587409 0.31308037826080 15.999 > 125 127 O 0.39640244204802 0.83497217319979 0.67792092633739 15.999 > 127 128 O 0.89640244204802 0.83497217319979 0.67792092633739 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8363701 0.0000000 0.0000000 0.0000000 2.5572075 0.0000000 0.0000000 0.0000000 2.6762205 -------------------------- Born effective charges -------------------------- 1 H 0.7852827 -0.0063330 -0.3588837 0.0208677 0.4057815 -0.0284825 -0.3135462 -0.0171576 0.5687197 2 H 0.7852827 0.0063330 -0.3588837 -0.0208677 0.4057815 0.0284825 -0.3135462 0.0171576 0.5687197 3 H 0.7852827 0.0063330 0.3588837 -0.0208677 0.4057815 -0.0284825 0.3135462 -0.0171576 0.5687197 4 H 0.7852827 -0.0063330 -0.3588837 0.0208677 0.4057815 -0.0284825 -0.3135462 -0.0171576 0.5687197 5 H 0.7852827 -0.0063330 0.3588837 0.0208677 0.4057815 0.0284825 0.3135462 0.0171576 0.5687197 6 H 0.7852827 0.0063330 -0.3588837 -0.0208677 0.4057815 0.0284825 -0.3135462 0.0171576 0.5687197 7 H 0.7852827 0.0063330 0.3588837 -0.0208677 0.4057815 -0.0284825 0.3135462 -0.0171576 0.5687197 8 H 0.7852827 -0.0063330 0.3588837 0.0208677 0.4057815 0.0284825 0.3135462 0.0171576 0.5687197 9 Be 1.8559642 0.1125432 -0.0956262 -0.0760937 1.7626078 0.0644272 0.1312437 -0.1290181 1.8920761 10 Be 1.8559642 -0.1125432 0.0956262 0.0760937 1.7626078 0.0644272 -0.1312437 -0.1290181 1.8920761 11 Be 1.8559642 -0.1125432 -0.0956262 0.0760937 1.7626078 -0.0644272 0.1312437 0.1290181 1.8920761 12 Be 1.8885207 -0.0426312 -0.1214115 0.0429154 1.8556565 -0.0019874 0.1292143 0.0658255 1.7102598 13 Be 1.8559642 0.1125432 -0.0956262 -0.0760937 1.7626078 0.0644272 0.1312437 -0.1290181 1.8920761 14 Be 1.8559642 -0.1125432 0.0956262 0.0760937 1.7626078 0.0644272 -0.1312437 -0.1290181 1.8920761 15 Be 1.8559642 -0.1125432 -0.0956262 0.0760937 1.7626078 -0.0644272 0.1312437 0.1290181 1.8920761 16 Be 1.8559642 0.1125432 0.0956262 -0.0760937 1.7626078 -0.0644272 -0.1312437 0.1290181 1.8920761 17 Be 1.8885207 0.0426312 0.1214115 -0.0429154 1.8556565 -0.0019874 -0.1292143 0.0658255 1.7102598 18 Be 1.8885207 0.0426312 -0.1214115 -0.0429154 1.8556565 0.0019874 0.1292143 -0.0658255 1.7102598 19 Be 1.8885207 -0.0426312 0.1214115 0.0429154 1.8556565 0.0019874 -0.1292143 -0.0658255 1.7102598 20 Be 1.8885207 -0.0426312 -0.1214115 0.0429154 1.8556565 -0.0019874 0.1292143 0.0658255 1.7102598 21 Be 1.8885207 0.0426312 0.1214115 -0.0429154 1.8556565 -0.0019874 -0.1292143 0.0658255 1.7102598 22 Be 1.8885207 0.0426312 -0.1214115 -0.0429154 1.8556565 0.0019874 0.1292143 -0.0658255 1.7102598 23 Be 1.8559642 0.1125432 0.0956262 -0.0760937 1.7626078 -0.0644272 -0.1312437 0.1290181 1.8920761 24 Be 1.8885207 -0.0426312 0.1214115 0.0429154 1.8556565 0.0019874 -0.1292143 -0.0658255 1.7102598 25 B 2.7072785 -0.0976028 0.1288648 -0.0951176 1.4461705 0.7868873 0.0340914 0.9425672 1.9885326 26 B 2.7072785 -0.0976028 -0.1288648 -0.0951176 1.4461705 -0.7868873 -0.0340914 -0.9425672 1.9885326 27 B 2.7072785 0.0976028 0.1288648 0.0951176 1.4461705 -0.7868873 0.0340914 -0.9425672 1.9885326 28 B 2.7072785 0.0976028 -0.1288648 0.0951176 1.4461705 0.7868873 -0.0340914 0.9425672 1.9885326 29 B 2.7072785 -0.0976028 0.1288648 -0.0951176 1.4461705 0.7868873 0.0340914 0.9425672 1.9885326 30 B 2.7072785 -0.0976028 -0.1288648 -0.0951176 1.4461705 -0.7868873 -0.0340914 -0.9425672 1.9885326 31 B 2.7072785 0.0976028 0.1288648 0.0951176 1.4461705 -0.7868873 0.0340914 -0.9425672 1.9885326 32 B 2.7072785 0.0976028 -0.1288648 0.0951176 1.4461705 0.7868873 -0.0340914 0.9425672 1.9885326 33 O -1.8354594 -0.2839014 0.2562405 -0.2628144 -1.2170402 0.5021765 0.2304773 0.5498688 -1.7741838 34 O -2.2909918 0.0247908 0.0422286 0.0079187 -1.3331655 0.2411859 0.0751175 0.3669628 -1.2070390 35 O -2.2909918 0.0247908 -0.0422286 0.0079187 -1.3331655 -0.2411859 -0.0751175 -0.3669628 -1.2070390 36 O -2.2909918 -0.0247908 0.0422286 -0.0079187 -1.3331655 -0.2411859 0.0751175 -0.3669628 -1.2070390 37 O -2.2909918 -0.0247908 -0.0422286 -0.0079187 -1.3331655 0.2411859 -0.0751175 0.3669628 -1.2070390 38 O -2.2909918 0.0247908 0.0422286 0.0079187 -1.3331655 0.2411859 0.0751175 0.3669628 -1.2070390 39 O -2.2909918 0.0247908 -0.0422286 0.0079187 -1.3331655 -0.2411859 -0.0751175 -0.3669628 -1.2070390 40 O -2.2909918 -0.0247908 0.0422286 -0.0079187 -1.3331655 -0.2411859 0.0751175 -0.3669628 -1.2070390 41 O -1.7289776 0.3609153 -0.0473455 0.3470869 -1.3206426 0.4884711 -0.0676607 0.6456333 -1.7269412 42 O -1.7289776 -0.3609153 0.0473455 -0.3470869 -1.3206426 0.4884711 0.0676607 0.6456333 -1.7269412 43 O -1.7289776 -0.3609153 -0.0473455 -0.3470869 -1.3206426 -0.4884711 -0.0676607 -0.6456333 -1.7269412 44 O -1.7289776 0.3609153 0.0473455 0.3470869 -1.3206426 -0.4884711 0.0676607 -0.6456333 -1.7269412 45 O -2.2909918 -0.0247908 -0.0422286 -0.0079187 -1.3331655 0.2411859 -0.0751175 0.3669628 -1.2070390 46 O -1.7289776 -0.3609153 0.0473455 -0.3470869 -1.3206426 0.4884711 0.0676607 0.6456333 -1.7269412 47 O -1.7289776 -0.3609153 -0.0473455 -0.3470869 -1.3206426 -0.4884711 -0.0676607 -0.6456333 -1.7269412 48 O -1.7289776 0.3609153 0.0473455 0.3470869 -1.3206426 -0.4884711 0.0676607 -0.6456333 -1.7269412 49 O -1.7289776 0.3609153 -0.0473455 0.3470869 -1.3206426 0.4884711 -0.0676607 0.6456333 -1.7269412 50 O -1.3816174 -0.0156207 -0.0061308 -0.0437992 -1.5993681 -0.3055246 0.0572539 -0.1802153 -1.4514243 51 O -1.3816174 -0.0156207 0.0061308 -0.0437992 -1.5993681 0.3055246 -0.0572539 0.1802153 -1.4514243 52 O -1.3816174 0.0156207 -0.0061308 0.0437992 -1.5993681 0.3055246 0.0572539 0.1802153 -1.4514243 53 O -1.3816174 0.0156207 0.0061308 0.0437992 -1.5993681 -0.3055246 -0.0572539 -0.1802153 -1.4514243 54 O -1.3816174 -0.0156207 -0.0061308 -0.0437992 -1.5993681 -0.3055246 0.0572539 -0.1802153 -1.4514243 55 O -1.3816174 -0.0156207 0.0061308 -0.0437992 -1.5993681 0.3055246 -0.0572539 0.1802153 -1.4514243 56 O -1.3816174 0.0156207 -0.0061308 0.0437992 -1.5993681 0.3055246 0.0572539 0.1802153 -1.4514243 57 O -1.8354594 -0.2839014 -0.2562405 -0.2628144 -1.2170402 -0.5021765 -0.2304773 -0.5498688 -1.7741838 58 O -1.8354594 0.2839014 0.2562405 0.2628144 -1.2170402 -0.5021765 0.2304773 -0.5498688 -1.7741838 59 O -1.8354594 0.2839014 -0.2562405 0.2628144 -1.2170402 0.5021765 -0.2304773 0.5498688 -1.7741838 60 O -1.8354594 -0.2839014 0.2562405 -0.2628144 -1.2170402 0.5021765 0.2304773 0.5498688 -1.7741838 61 O -1.8354594 -0.2839014 -0.2562405 -0.2628144 -1.2170402 -0.5021765 -0.2304773 -0.5498688 -1.7741838 62 O -1.8354594 0.2839014 0.2562405 0.2628144 -1.2170402 -0.5021765 0.2304773 -0.5498688 -1.7741838 63 O -1.8354594 0.2839014 -0.2562405 0.2628144 -1.2170402 0.5021765 -0.2304773 0.5498688 -1.7741838 64 O -1.3816174 0.0156207 0.0061308 0.0437992 -1.5993681 -0.3055246 -0.0572539 -0.1802153 -1.4514243 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 11 5 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: 0.52, Number of G-points: 303, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.325 ( 0.000 0.000 0.000) 0.000 3.821 ( 0.000 0.000 0.000) 0.000 4.075 ( 0.000 0.000 0.000) 0.000 4.543 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 4.765 ( 0.000 0.000 0.000) 0.000 4.790 ( 0.000 0.000 0.000) 0.000 4.915 ( 0.000 0.000 0.000) 0.000 5.217 ( 0.000 0.000 0.000) 0.000 5.234 ( 0.000 0.000 0.000) 0.000 5.288 ( 0.000 0.000 0.000) 0.000 5.297 ( 0.000 0.000 0.000) 0.000 5.400 ( 0.000 0.000 0.000) 0.000 5.467 ( 0.000 0.000 0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 6.355 ( 0.000 0.000 0.000) 0.000 6.431 ( 0.000 0.000 0.000) 0.000 6.645 ( 0.000 0.000 0.000) 0.000 6.879 ( 0.000 0.000 0.000) 0.000 7.445 ( 0.000 0.000 0.000) 0.000 7.474 ( 0.000 0.000 0.000) 0.000 7.483 ( 0.000 0.000 0.000) 0.000 7.696 ( 0.000 0.000 0.000) 0.000 7.850 ( 0.000 0.000 0.000) 0.000 7.866 ( 0.000 0.000 0.000) 0.000 8.044 ( 0.000 0.000 0.000) 0.000 8.331 ( 0.000 0.000 0.000) 0.000 8.382 ( 0.000 0.000 0.000) 0.000 8.626 ( 0.000 0.000 0.000) 0.000 8.913 ( 0.000 0.000 0.000) 0.000 9.098 ( 0.000 0.000 0.000) 0.000 9.140 ( 0.000 0.000 0.000) 0.000 9.178 ( 0.000 0.000 0.000) 0.000 9.377 ( 0.000 0.000 0.000) 0.000 9.447 ( 0.000 0.000 0.000) 0.000 9.549 ( 0.000 0.000 0.000) 0.000 9.749 ( 0.000 0.000 0.000) 0.000 9.895 ( 0.000 0.000 0.000) 0.000 10.070 ( 0.000 0.000 0.000) 0.000 10.401 ( 0.000 0.000 0.000) 0.000 10.725 ( 0.000 0.000 0.000) 0.000 10.777 ( 0.000 0.000 0.000) 0.000 10.811 ( 0.000 0.000 0.000) 0.000 10.887 ( 0.000 0.000 0.000) 0.000 11.166 ( 0.000 0.000 0.000) 0.000 11.256 ( 0.000 0.000 0.000) 0.000 11.456 ( 0.000 0.000 0.000) 0.000 11.886 ( 0.000 0.000 0.000) 0.000 11.887 ( 0.000 0.000 0.000) 0.000 12.136 ( 0.000 0.000 0.000) 0.000 12.357 ( 0.000 0.000 0.000) 0.000 12.797 ( 0.000 0.000 0.000) 0.000 12.841 ( 0.000 0.000 0.000) 0.000 12.881 ( 0.000 0.000 0.000) 0.000 12.915 ( 0.000 0.000 0.000) 0.000 12.999 ( 0.000 0.000 0.000) 0.000 13.143 ( 0.000 0.000 0.000) 0.000 13.403 ( 0.000 0.000 0.000) 0.000 13.540 ( 0.000 0.000 0.000) 0.000 14.052 ( 0.000 0.000 0.000) 0.000 14.363 ( 0.000 0.000 0.000) 0.000 14.850 ( 0.000 0.000 0.000) 0.000 14.979 ( 0.000 0.000 0.000) 0.000 15.038 ( 0.000 0.000 0.000) 0.000 15.637 ( 0.000 0.000 0.000) 0.000 15.769 ( 0.000 0.000 0.000) 0.000 16.303 ( 0.000 0.000 0.000) 0.000 16.771 ( 0.000 0.000 0.000) 0.000 16.819 ( 0.000 0.000 0.000) 0.000 17.007 ( 0.000 0.000 0.000) 0.000 17.128 ( 0.000 0.000 0.000) 0.000 17.366 ( 0.000 0.000 0.000) 0.000 17.471 ( 0.000 0.000 0.000) 0.000 17.940 ( 0.000 0.000 0.000) 0.000 18.399 ( 0.000 0.000 0.000) 0.000 18.516 ( 0.000 0.000 0.000) 0.000 18.916 ( 0.000 0.000 0.000) 0.000 18.979 ( 0.000 0.000 0.000) 0.000 19.027 ( 0.000 0.000 0.000) 0.000 19.112 ( 0.000 0.000 0.000) 0.000 19.203 ( 0.000 0.000 0.000) 0.000 19.220 ( 0.000 0.000 0.000) 0.000 19.481 ( 0.000 0.000 0.000) 0.000 19.559 ( 0.000 0.000 0.000) 0.000 19.690 ( 0.000 0.000 0.000) 0.000 19.967 ( 0.000 0.000 0.000) 0.000 20.079 ( 0.000 0.000 0.000) 0.000 20.167 ( 0.000 0.000 0.000) 0.000 20.330 ( 0.000 0.000 0.000) 0.000 20.340 ( 0.000 0.000 0.000) 0.000 20.565 ( 0.000 0.000 0.000) 0.000 20.758 ( 0.000 0.000 0.000) 0.000 21.153 ( 0.000 0.000 0.000) 0.000 21.253 ( 0.000 0.000 0.000) 0.000 21.450 ( 0.000 0.000 0.000) 0.000 21.457 ( 0.000 0.000 0.000) 0.000 21.737 ( 0.000 0.000 0.000) 0.000 21.813 ( 0.000 0.000 0.000) 0.000 21.824 ( 0.000 0.000 0.000) 0.000 21.931 ( 0.000 0.000 0.000) 0.000 22.019 ( 0.000 0.000 0.000) 0.000 22.059 ( 0.000 0.000 0.000) 0.000 22.163 ( 0.000 0.000 0.000) 0.000 22.219 ( 0.000 0.000 0.000) 0.000 22.404 ( 0.000 0.000 0.000) 0.000 22.509 ( 0.000 0.000 0.000) 0.000 22.557 ( 0.000 0.000 0.000) 0.000 22.808 ( 0.000 0.000 0.000) 0.000 22.880 ( 0.000 0.000 0.000) 0.000 23.128 ( 0.000 0.000 0.000) 0.000 23.131 ( 0.000 0.000 0.000) 0.000 23.138 ( 0.000 0.000 0.000) 0.000 23.141 ( 0.000 0.000 0.000) 0.000 23.212 ( 0.000 0.000 0.000) 0.000 23.353 ( 0.000 0.000 0.000) 0.000 23.363 ( 0.000 0.000 0.000) 0.000 23.481 ( 0.000 0.000 0.000) 0.000 23.489 ( 0.000 0.000 0.000) 0.000 23.560 ( 0.000 0.000 0.000) 0.000 23.796 ( 0.000 0.000 0.000) 0.000 23.921 ( 0.000 0.000 0.000) 0.000 23.939 ( 0.000 0.000 0.000) 0.000 24.264 ( 0.000 0.000 0.000) 0.000 24.445 ( 0.000 0.000 0.000) 0.000 24.460 ( 0.000 0.000 0.000) 0.000 24.463 ( 0.000 0.000 0.000) 0.000 24.508 ( 0.000 0.000 0.000) 0.000 24.601 ( 0.000 0.000 0.000) 0.000 24.604 ( 0.000 0.000 0.000) 0.000 24.645 ( 0.000 0.000 0.000) 0.000 24.694 ( 0.000 0.000 0.000) 0.000 24.715 ( 0.000 0.000 0.000) 0.000 24.802 ( 0.000 0.000 0.000) 0.000 24.996 ( 0.000 0.000 0.000) 0.000 25.019 ( 0.000 0.000 0.000) 0.000 25.175 ( 0.000 0.000 0.000) 0.000 25.222 ( 0.000 0.000 0.000) 0.000 25.463 ( 0.000 0.000 0.000) 0.000 25.546 ( 0.000 0.000 0.000) 0.000 26.544 ( 0.000 0.000 0.000) 0.000 27.078 ( 0.000 0.000 0.000) 0.000 27.185 ( 0.000 0.000 0.000) 0.000 27.753 ( 0.000 0.000 0.000) 0.000 28.939 ( 0.000 0.000 0.000) 0.000 28.992 ( 0.000 0.000 0.000) 0.000 28.996 ( 0.000 0.000 0.000) 0.000 29.001 ( 0.000 0.000 0.000) 0.000 29.488 ( 0.000 0.000 0.000) 0.000 29.496 ( 0.000 0.000 0.000) 0.000 29.932 ( 0.000 0.000 0.000) 0.000 30.376 ( 0.000 0.000 0.000) 0.000 30.378 ( 0.000 0.000 0.000) 0.000 30.819 ( 0.000 0.000 0.000) 0.000 31.081 ( 0.000 0.000 0.000) 0.000 31.624 ( 0.000 0.000 0.000) 0.000 35.059 ( 0.000 0.000 0.000) 0.000 35.258 ( 0.000 0.000 0.000) 0.000 35.330 ( 0.000 0.000 0.000) 0.000 35.348 ( 0.000 0.000 0.000) 0.000 35.471 ( 0.000 0.000 0.000) 0.000 35.783 ( 0.000 0.000 0.000) 0.000 36.169 ( 0.000 0.000 0.000) 0.000 36.391 ( 0.000 0.000 0.000) 0.000 38.921 ( 0.000 0.000 0.000) 0.000 38.969 ( 0.000 0.000 0.000) 0.000 39.040 ( 0.000 0.000 0.000) 0.000 39.076 ( 0.000 0.000 0.000) 0.000 39.303 ( 0.000 0.000 0.000) 0.000 39.340 ( 0.000 0.000 0.000) 0.000 39.649 ( 0.000 0.000 0.000) 0.000 39.707 ( 0.000 0.000 0.000) 0.000 40.055 ( 0.000 0.000 0.000) 0.000 40.187 ( 0.000 0.000 0.000) 0.000 41.042 ( 0.000 0.000 0.000) 0.000 41.065 ( 0.000 0.000 0.000) 0.000 41.082 ( 0.000 0.000 0.000) 0.000 41.186 ( 0.000 0.000 0.000) 0.000 41.650 ( 0.000 0.000 0.000) 0.000 42.602 ( 0.000 0.000 0.000) 0.000 96.808 ( 0.000 0.000 0.000) 0.000 96.808 ( 0.000 0.000 0.000) 0.000 96.816 ( 0.000 0.000 0.000) 0.000 96.820 ( 0.000 0.000 0.000) 0.000 100.235 ( 0.000 0.000 0.000) 0.000 100.274 ( 0.000 0.000 0.000) 0.000 100.348 ( 0.000 0.000 0.000) 0.000 100.755 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 54.853 0.000 0.000) 54.853 1.162 ( 54.941 0.000 0.000) 54.941 2.358 ( 109.552 0.000 0.000) 109.552 3.369 ( 26.345 0.000 0.000) 26.345 3.439 ( 10.650 0.000 0.000) 10.650 3.587 ( 70.785 0.000 0.000) 70.785 3.864 ( 5.322 0.000 0.000) 5.322 4.133 ( 6.529 0.000 0.000) 6.529 4.530 ( -8.339 0.000 0.000) 8.339 4.672 ( -8.512 0.000 0.000) 8.512 4.797 ( -4.347 0.000 0.000) 4.347 4.817 ( 14.562 0.000 0.000) 14.562 4.882 ( 10.533 0.000 0.000) 10.533 5.110 ( -5.805 0.000 0.000) 5.805 5.316 ( 8.605 0.000 0.000) 8.605 5.365 ( 6.882 0.000 0.000) 6.882 5.568 ( 21.152 0.000 0.000) 21.152 5.680 ( 15.475 0.000 0.000) 15.475 5.715 ( 20.669 0.000 0.000) 20.669 6.006 ( 22.493 0.000 0.000) 22.493 6.384 ( 5.106 0.000 0.000) 5.106 6.576 ( 15.305 0.000 0.000) 15.305 6.698 ( 6.114 0.000 0.000) 6.114 6.923 ( 1.538 0.000 0.000) 1.538 7.346 ( -10.197 0.000 0.000) 10.197 7.529 ( 13.263 0.000 0.000) 13.263 7.551 ( 5.547 0.000 0.000) 5.547 7.903 ( 5.258 0.000 0.000) 5.258 7.913 ( 3.502 0.000 0.000) 3.502 7.930 ( 17.608 0.000 0.000) 17.608 8.156 ( 9.438 0.000 0.000) 9.438 8.415 ( 7.241 0.000 0.000) 7.241 8.459 ( -3.232 0.000 0.000) 3.232 8.670 ( 3.110 0.000 0.000) 3.110 8.858 ( -3.974 0.000 0.000) 3.974 9.126 ( -1.514 0.000 0.000) 1.514 9.133 ( 3.548 0.000 0.000) 3.548 9.240 ( 5.200 0.000 0.000) 5.200 9.311 ( -15.147 0.000 0.000) 15.147 9.354 ( -7.985 0.000 0.000) 7.985 9.408 ( 2.493 0.000 0.000) 2.493 9.768 ( 2.611 0.000 0.000) 2.611 9.864 ( -1.092 0.000 0.000) 1.092 10.384 ( 21.587 0.000 0.000) 21.587 10.483 ( 7.607 0.000 0.000) 7.607 10.779 ( 1.121 0.000 0.000) 1.121 10.803 ( -1.128 0.000 0.000) 1.128 10.810 ( 8.099 0.000 0.000) 8.099 10.912 ( 1.194 0.000 0.000) 1.194 11.241 ( -0.878 0.000 0.000) 0.878 11.247 ( 8.082 0.000 0.000) 8.082 11.398 ( -3.870 0.000 0.000) 3.870 11.880 ( -0.690 0.000 0.000) 0.690 11.979 ( 6.852 0.000 0.000) 6.852 12.125 ( -0.884 0.000 0.000) 0.884 12.358 ( -0.148 0.000 0.000) 0.148 12.686 ( -13.717 0.000 0.000) 13.717 12.754 ( -3.984 0.000 0.000) 3.984 12.878 ( 3.010 0.000 0.000) 3.010 12.983 ( -1.637 0.000 0.000) 1.637 12.991 ( -1.884 0.000 0.000) 1.884 13.096 ( -5.153 0.000 0.000) 5.153 13.381 ( -1.788 0.000 0.000) 1.788 13.488 ( -5.773 0.000 0.000) 5.773 13.798 ( -18.991 0.000 0.000) 18.991 14.343 ( -1.217 0.000 0.000) 1.217 14.478 ( -26.707 0.000 0.000) 26.707 14.616 ( -20.476 0.000 0.000) 20.476 15.500 ( 32.895 0.000 0.000) 32.895 15.542 ( -8.458 0.000 0.000) 8.458 15.782 ( -38.012 0.000 0.000) 38.012 16.357 ( 40.126 0.000 0.000) 40.126 16.455 ( -33.049 0.000 0.000) 33.049 16.716 ( -23.008 0.000 0.000) 23.008 16.963 ( 4.321 0.000 0.000) 4.321 17.043 ( -12.071 0.000 0.000) 12.071 17.196 ( -32.966 0.000 0.000) 32.966 17.252 ( -7.077 0.000 0.000) 7.077 17.755 ( -4.658 0.000 0.000) 4.658 18.223 ( -16.495 0.000 0.000) 16.495 18.342 ( -17.318 0.000 0.000) 17.318 19.037 ( 4.919 0.000 0.000) 4.919 19.061 ( 5.895 0.000 0.000) 5.895 19.092 ( 3.499 0.000 0.000) 3.499 19.185 ( 7.306 0.000 0.000) 7.306 19.187 ( -0.906 0.000 0.000) 0.906 19.273 ( 5.574 0.000 0.000) 5.574 19.500 ( 1.790 0.000 0.000) 1.790 19.541 ( -1.764 0.000 0.000) 1.764 19.681 ( 0.253 0.000 0.000) 0.253 20.006 ( 3.562 0.000 0.000) 3.562 20.127 ( 3.575 0.000 0.000) 3.575 20.226 ( 5.685 0.000 0.000) 5.685 20.268 ( -5.465 0.000 0.000) 5.465 20.327 ( -1.361 0.000 0.000) 1.361 20.649 ( 7.076 0.000 0.000) 7.076 20.808 ( 4.569 0.000 0.000) 4.569 21.114 ( -6.101 0.000 0.000) 6.101 21.256 ( -1.579 0.000 0.000) 1.579 21.313 ( -10.255 0.000 0.000) 10.255 21.482 ( 1.684 0.000 0.000) 1.684 21.667 ( -0.334 0.000 0.000) 0.334 21.772 ( 1.084 0.000 0.000) 1.084 21.803 ( -17.994 0.000 0.000) 17.994 21.945 ( 7.753 0.000 0.000) 7.753 21.986 ( 2.777 0.000 0.000) 2.777 22.017 ( -6.751 0.000 0.000) 6.751 22.140 ( -0.347 0.000 0.000) 0.347 22.148 ( -3.690 0.000 0.000) 3.690 22.417 ( -6.156 0.000 0.000) 6.156 22.491 ( -9.732 0.000 0.000) 9.732 22.574 ( 9.194 0.000 0.000) 9.194 22.709 ( -8.049 0.000 0.000) 8.049 22.934 ( -11.558 0.000 0.000) 11.558 22.990 ( 10.121 0.000 0.000) 10.121 23.092 ( -9.400 0.000 0.000) 9.400 23.227 ( 1.001 0.000 0.000) 1.001 23.262 ( 8.061 0.000 0.000) 8.061 23.284 ( -1.548 0.000 0.000) 1.548 23.471 ( -2.758 0.000 0.000) 2.758 23.488 ( 0.947 0.000 0.000) 0.947 23.632 ( 14.972 0.000 0.000) 14.972 23.688 ( -7.421 0.000 0.000) 7.421 23.757 ( 15.103 0.000 0.000) 15.103 23.880 ( -3.847 0.000 0.000) 3.847 23.911 ( 1.271 0.000 0.000) 1.271 24.171 ( -16.272 0.000 0.000) 16.272 24.304 ( -13.263 0.000 0.000) 13.263 24.407 ( -9.125 0.000 0.000) 9.125 24.448 ( 14.133 0.000 0.000) 14.133 24.510 ( 0.262 0.000 0.000) 0.262 24.553 ( 8.900 0.000 0.000) 8.900 24.583 ( -7.697 0.000 0.000) 7.697 24.598 ( -1.002 0.000 0.000) 1.002 24.610 ( -10.136 0.000 0.000) 10.136 24.723 ( 2.616 0.000 0.000) 2.616 24.804 ( 17.669 0.000 0.000) 17.669 24.841 ( 7.198 0.000 0.000) 7.198 25.163 ( 13.062 0.000 0.000) 13.062 25.266 ( 1.776 0.000 0.000) 1.776 25.294 ( 8.643 0.000 0.000) 8.643 25.543 ( -0.048 0.000 0.000) 0.048 25.545 ( 5.966 0.000 0.000) 5.966 26.415 ( -11.374 0.000 0.000) 11.374 26.961 ( -8.718 0.000 0.000) 8.718 27.097 ( -2.378 0.000 0.000) 2.378 27.693 ( -6.499 0.000 0.000) 6.499 27.857 ( -15.044 0.000 0.000) 15.044 28.816 ( -11.071 0.000 0.000) 11.071 28.821 ( -11.973 0.000 0.000) 11.973 28.915 ( -8.427 0.000 0.000) 8.427 28.940 ( -9.701 0.000 0.000) 9.701 29.567 ( 7.843 0.000 0.000) 7.843 29.775 ( 23.580 0.000 0.000) 23.580 30.033 ( 9.729 0.000 0.000) 9.729 30.501 ( 11.780 0.000 0.000) 11.780 30.602 ( 19.307 0.000 0.000) 19.307 30.868 ( 4.834 0.000 0.000) 4.834 31.069 ( -1.070 0.000 0.000) 1.070 31.703 ( 6.662 0.000 0.000) 6.662 35.057 ( -0.195 0.000 0.000) 0.195 35.235 ( -2.142 0.000 0.000) 2.142 35.298 ( -3.072 0.000 0.000) 3.072 35.317 ( -2.921 0.000 0.000) 2.921 35.442 ( -3.305 0.000 0.000) 3.305 35.749 ( -2.895 0.000 0.000) 2.895 36.134 ( -3.321 0.000 0.000) 3.321 36.251 ( -12.167 0.000 0.000) 12.167 39.027 ( 5.599 0.000 0.000) 5.599 39.131 ( 5.455 0.000 0.000) 5.455 39.271 ( 21.080 0.000 0.000) 21.080 39.422 ( 7.245 0.000 0.000) 7.245 39.432 ( 11.334 0.000 0.000) 11.334 39.757 ( 4.377 0.000 0.000) 4.377 39.788 ( 12.142 0.000 0.000) 12.142 40.191 ( 12.963 0.000 0.000) 12.963 40.321 ( 12.403 0.000 0.000) 12.403 41.063 ( 0.076 0.000 0.000) 0.076 41.078 ( 3.783 0.000 0.000) 3.783 41.147 ( -3.723 0.000 0.000) 3.723 41.193 ( 10.382 0.000 0.000) 10.382 41.662 ( 1.482 0.000 0.000) 1.482 42.441 ( -9.270 0.000 0.000) 9.270 42.834 ( -4.419 0.000 0.000) 4.419 96.928 ( 11.269 0.000 0.000) 11.269 96.941 ( 11.736 0.000 0.000) 11.736 96.968 ( 13.971 0.000 0.000) 13.971 97.808 ( 5.930 0.000 0.000) 5.930 100.197 ( -3.651 0.000 0.000) 3.651 100.228 ( -4.518 0.000 0.000) 4.518 100.297 ( -4.921 0.000 0.000) 4.921 100.667 ( -8.262 0.000 0.000) 8.262 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 47.441 0.000 0.000) 47.441 2.234 ( 52.535 0.000 0.000) 52.535 3.729 ( 16.493 0.000 0.000) 16.493 3.950 ( 23.926 0.000 0.000) 23.926 4.066 ( 13.975 0.000 0.000) 13.975 4.294 ( 69.761 0.000 0.000) 69.761 4.380 ( -4.012 0.000 0.000) 4.012 4.425 ( 25.112 0.000 0.000) 25.112 4.529 ( -2.290 0.000 0.000) 2.290 4.775 ( 14.653 0.000 0.000) 14.653 4.823 ( 5.216 0.000 0.000) 5.216 5.089 ( 9.097 0.000 0.000) 9.097 5.130 ( 11.995 0.000 0.000) 11.995 5.191 ( 33.655 0.000 0.000) 33.655 5.423 ( -1.972 0.000 0.000) 1.972 5.636 ( 23.567 0.000 0.000) 23.567 5.956 ( 11.411 0.000 0.000) 11.411 6.190 ( 41.227 0.000 0.000) 41.227 6.216 ( 22.379 0.000 0.000) 22.379 6.531 ( 29.024 0.000 0.000) 29.024 6.570 ( 10.840 0.000 0.000) 10.840 6.929 ( 3.168 0.000 0.000) 3.168 7.046 ( 32.174 0.000 0.000) 32.174 7.107 ( -11.582 0.000 0.000) 11.582 7.125 ( 36.917 0.000 0.000) 36.917 7.718 ( 10.698 0.000 0.000) 10.698 7.965 ( 1.627 0.000 0.000) 1.627 8.048 ( 32.367 0.000 0.000) 32.367 8.070 ( 11.101 0.000 0.000) 11.101 8.139 ( -0.385 0.000 0.000) 0.385 8.350 ( 2.477 0.000 0.000) 2.477 8.456 ( 5.474 0.000 0.000) 5.474 8.581 ( 7.614 0.000 0.000) 7.614 8.773 ( 11.508 0.000 0.000) 11.508 8.867 ( 5.563 0.000 0.000) 5.563 9.029 ( -11.200 0.000 0.000) 11.200 9.057 ( -5.371 0.000 0.000) 5.371 9.210 ( -2.850 0.000 0.000) 2.850 9.267 ( 9.824 0.000 0.000) 9.824 9.378 ( 8.481 0.000 0.000) 8.481 9.474 ( 3.364 0.000 0.000) 3.364 9.882 ( 8.423 0.000 0.000) 8.423 9.953 ( 12.305 0.000 0.000) 12.305 10.650 ( 0.896 0.000 0.000) 0.896 10.697 ( 12.666 0.000 0.000) 12.666 10.766 ( -1.844 0.000 0.000) 1.844 10.876 ( -5.699 0.000 0.000) 5.699 10.959 ( 16.747 0.000 0.000) 16.747 11.064 ( 16.887 0.000 0.000) 16.887 11.282 ( 7.535 0.000 0.000) 7.535 11.343 ( -1.566 0.000 0.000) 1.566 11.487 ( 13.078 0.000 0.000) 13.078 11.863 ( 0.604 0.000 0.000) 0.604 12.070 ( -0.571 0.000 0.000) 0.571 12.115 ( 0.267 0.000 0.000) 0.267 12.330 ( -3.121 0.000 0.000) 3.121 12.382 ( -15.260 0.000 0.000) 15.260 12.648 ( -5.903 0.000 0.000) 5.903 12.874 ( -7.992 0.000 0.000) 7.992 12.900 ( -4.261 0.000 0.000) 4.261 12.912 ( -13.145 0.000 0.000) 13.145 12.926 ( -4.001 0.000 0.000) 4.001 13.293 ( -11.489 0.000 0.000) 11.489 13.324 ( -4.225 0.000 0.000) 4.225 13.408 ( -16.877 0.000 0.000) 16.877 14.114 ( -7.532 0.000 0.000) 7.532 14.160 ( -19.661 0.000 0.000) 19.661 14.340 ( -0.106 0.000 0.000) 0.106 14.971 ( -36.046 0.000 0.000) 36.046 15.338 ( -10.026 0.000 0.000) 10.026 15.582 ( -49.362 0.000 0.000) 49.362 16.162 ( -27.249 0.000 0.000) 27.249 16.240 ( 36.804 0.000 0.000) 36.804 16.305 ( -48.133 0.000 0.000) 48.133 16.621 ( -26.191 0.000 0.000) 26.191 16.879 ( -12.149 0.000 0.000) 12.149 17.027 ( 11.262 0.000 0.000) 11.262 17.099 ( -10.311 0.000 0.000) 10.311 17.747 ( 0.094 0.000 0.000) 0.094 17.782 ( -29.705 0.000 0.000) 29.705 17.935 ( -4.412 0.000 0.000) 4.412 19.094 ( 0.320 0.000 0.000) 0.320 19.103 ( -0.218 0.000 0.000) 0.218 19.129 ( 0.156 0.000 0.000) 0.156 19.210 ( -2.691 0.000 0.000) 2.691 19.214 ( -0.145 0.000 0.000) 0.145 19.474 ( 10.277 0.000 0.000) 10.277 19.510 ( -1.423 0.000 0.000) 1.423 19.555 ( 3.689 0.000 0.000) 3.689 19.725 ( 3.779 0.000 0.000) 3.779 20.093 ( 4.197 0.000 0.000) 4.197 20.108 ( -10.166 0.000 0.000) 10.166 20.155 ( -2.436 0.000 0.000) 2.436 20.281 ( -3.096 0.000 0.000) 3.096 20.382 ( 8.553 0.000 0.000) 8.553 20.800 ( 6.074 0.000 0.000) 6.074 20.907 ( 3.420 0.000 0.000) 3.420 20.950 ( -6.889 0.000 0.000) 6.889 21.116 ( -8.151 0.000 0.000) 8.151 21.148 ( -7.336 0.000 0.000) 7.336 21.412 ( -18.153 0.000 0.000) 18.153 21.478 ( -3.123 0.000 0.000) 3.123 21.728 ( -20.407 0.000 0.000) 20.407 21.862 ( 17.121 0.000 0.000) 17.121 21.894 ( 6.057 0.000 0.000) 6.057 22.030 ( -10.539 0.000 0.000) 10.539 22.098 ( 13.259 0.000 0.000) 13.259 22.108 ( 7.154 0.000 0.000) 7.154 22.170 ( 2.466 0.000 0.000) 2.466 22.227 ( -11.700 0.000 0.000) 11.700 22.341 ( -0.320 0.000 0.000) 0.320 22.503 ( -11.434 0.000 0.000) 11.434 22.710 ( -9.343 0.000 0.000) 9.343 22.744 ( 9.814 0.000 0.000) 9.814 22.893 ( -7.661 0.000 0.000) 7.661 23.138 ( 0.966 0.000 0.000) 0.966 23.212 ( -1.599 0.000 0.000) 1.599 23.234 ( -9.580 0.000 0.000) 9.580 23.282 ( 0.653 0.000 0.000) 0.653 23.367 ( -6.751 0.000 0.000) 6.751 23.473 ( -3.350 0.000 0.000) 3.350 23.537 ( -7.362 0.000 0.000) 7.362 23.766 ( -5.535 0.000 0.000) 5.535 23.856 ( -13.858 0.000 0.000) 13.858 23.865 ( -10.489 0.000 0.000) 10.489 23.883 ( -6.029 0.000 0.000) 6.029 23.885 ( 2.117 0.000 0.000) 2.117 24.169 ( 6.044 0.000 0.000) 6.044 24.293 ( 4.918 0.000 0.000) 4.918 24.471 ( -0.943 0.000 0.000) 0.943 24.514 ( 0.814 0.000 0.000) 0.814 24.572 ( 4.019 0.000 0.000) 4.019 24.611 ( 1.925 0.000 0.000) 1.925 24.740 ( 12.975 0.000 0.000) 12.975 24.804 ( 5.885 0.000 0.000) 5.885 24.806 ( 14.307 0.000 0.000) 14.307 24.992 ( 8.391 0.000 0.000) 8.391 25.131 ( 3.451 0.000 0.000) 3.451 25.316 ( 11.062 0.000 0.000) 11.062 25.466 ( 14.831 0.000 0.000) 14.831 25.483 ( 9.478 0.000 0.000) 9.478 25.553 ( 1.044 0.000 0.000) 1.044 25.675 ( 6.875 0.000 0.000) 6.875 26.154 ( -12.127 0.000 0.000) 12.127 26.834 ( -2.084 0.000 0.000) 2.084 27.010 ( -6.190 0.000 0.000) 6.190 27.498 ( -11.128 0.000 0.000) 11.128 27.525 ( -15.971 0.000 0.000) 15.971 28.506 ( -18.785 0.000 0.000) 18.785 28.523 ( -17.054 0.000 0.000) 17.054 28.633 ( -19.303 0.000 0.000) 19.303 28.651 ( -16.977 0.000 0.000) 16.977 29.811 ( 15.775 0.000 0.000) 15.775 30.286 ( 13.563 0.000 0.000) 13.563 30.336 ( 28.826 0.000 0.000) 28.826 30.825 ( 18.553 0.000 0.000) 18.553 31.006 ( 7.934 0.000 0.000) 7.934 31.040 ( -1.578 0.000 0.000) 1.578 31.067 ( 23.886 0.000 0.000) 23.886 31.846 ( 6.240 0.000 0.000) 6.240 35.051 ( -0.370 0.000 0.000) 0.370 35.174 ( -3.645 0.000 0.000) 3.645 35.213 ( -4.869 0.000 0.000) 4.869 35.234 ( -4.940 0.000 0.000) 4.940 35.375 ( -2.529 0.000 0.000) 2.529 35.687 ( -2.736 0.000 0.000) 2.736 35.968 ( -13.794 0.000 0.000) 13.794 36.038 ( -5.764 0.000 0.000) 5.764 39.191 ( 10.157 0.000 0.000) 10.157 39.303 ( 11.279 0.000 0.000) 11.279 39.600 ( 9.268 0.000 0.000) 9.268 39.696 ( 12.808 0.000 0.000) 12.808 39.818 ( 29.896 0.000 0.000) 29.896 39.856 ( 4.558 0.000 0.000) 4.558 40.064 ( 12.784 0.000 0.000) 12.784 40.553 ( 20.971 0.000 0.000) 20.971 40.655 ( 19.159 0.000 0.000) 19.159 41.036 ( -6.973 0.000 0.000) 6.973 41.089 ( 3.166 0.000 0.000) 3.166 41.209 ( 8.973 0.000 0.000) 8.973 41.477 ( 16.228 0.000 0.000) 16.228 41.728 ( 5.237 0.000 0.000) 5.237 42.163 ( -17.329 0.000 0.000) 17.329 42.724 ( -5.979 0.000 0.000) 5.979 97.251 ( 19.580 0.000 0.000) 19.580 97.273 ( 19.865 0.000 0.000) 19.865 97.350 ( 22.080 0.000 0.000) 22.080 97.986 ( 11.190 0.000 0.000) 11.190 100.084 ( -7.475 0.000 0.000) 7.475 100.090 ( -8.806 0.000 0.000) 8.806 100.148 ( -9.575 0.000 0.000) 9.575 100.434 ( -13.922 0.000 0.000) 13.922 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( 37.103 0.000 0.000) 37.103 3.247 ( 44.904 0.000 0.000) 44.904 4.043 ( 12.468 0.000 0.000) 12.468 4.303 ( 13.112 0.000 0.000) 13.112 4.398 ( 17.237 0.000 0.000) 17.237 4.439 ( 11.406 0.000 0.000) 11.406 4.457 ( -1.201 0.000 0.000) 1.201 4.742 ( -2.400 0.000 0.000) 2.400 4.877 ( -3.088 0.000 0.000) 3.088 5.085 ( 32.338 0.000 0.000) 32.338 5.205 ( 3.469 0.000 0.000) 3.469 5.285 ( 26.533 0.000 0.000) 26.533 5.371 ( 13.768 0.000 0.000) 13.768 5.391 ( 1.529 0.000 0.000) 1.529 5.791 ( 16.569 0.000 0.000) 16.569 6.045 ( -3.255 0.000 0.000) 3.255 6.217 ( 27.166 0.000 0.000) 27.166 6.484 ( 5.226 0.000 0.000) 5.226 6.716 ( 1.148 0.000 0.000) 1.148 6.958 ( 1.629 0.000 0.000) 1.629 7.123 ( 40.979 0.000 0.000) 40.979 7.206 ( 32.831 0.000 0.000) 32.831 7.245 ( 27.375 0.000 0.000) 27.375 7.638 ( 2.666 0.000 0.000) 2.666 7.906 ( 35.185 0.000 0.000) 35.185 7.982 ( 14.622 0.000 0.000) 14.622 8.064 ( 0.649 0.000 0.000) 0.649 8.268 ( 0.093 0.000 0.000) 0.093 8.299 ( 33.287 0.000 0.000) 33.287 8.357 ( 16.316 0.000 0.000) 16.316 8.538 ( 5.043 0.000 0.000) 5.043 8.606 ( -7.175 0.000 0.000) 7.175 8.610 ( 14.097 0.000 0.000) 14.097 8.916 ( -7.721 0.000 0.000) 7.721 8.960 ( 6.455 0.000 0.000) 6.455 9.025 ( 10.388 0.000 0.000) 10.388 9.301 ( 29.878 0.000 0.000) 29.878 9.382 ( 28.963 0.000 0.000) 28.963 9.482 ( 12.109 0.000 0.000) 12.109 9.524 ( 0.964 0.000 0.000) 0.964 9.608 ( 14.220 0.000 0.000) 14.220 10.093 ( 11.566 0.000 0.000) 11.566 10.383 ( 25.115 0.000 0.000) 25.115 10.575 ( -6.070 0.000 0.000) 6.070 10.678 ( -11.714 0.000 0.000) 11.714 10.771 ( 3.310 0.000 0.000) 3.310 10.959 ( 11.091 0.000 0.000) 11.091 11.268 ( 13.433 0.000 0.000) 13.433 11.298 ( -4.268 0.000 0.000) 4.268 11.472 ( 19.229 0.000 0.000) 19.229 11.506 ( -11.789 0.000 0.000) 11.789 11.550 ( 13.724 0.000 0.000) 13.724 11.893 ( -14.095 0.000 0.000) 14.095 12.080 ( 13.112 0.000 0.000) 13.112 12.087 ( -13.204 0.000 0.000) 13.204 12.137 ( 2.394 0.000 0.000) 2.394 12.225 ( -6.596 0.000 0.000) 6.596 12.521 ( -5.922 0.000 0.000) 5.922 12.588 ( -23.335 0.000 0.000) 23.335 12.612 ( -7.385 0.000 0.000) 7.385 12.725 ( -6.469 0.000 0.000) 6.469 12.830 ( -4.617 0.000 0.000) 4.617 13.112 ( -6.932 0.000 0.000) 6.932 13.209 ( -0.473 0.000 0.000) 0.473 13.251 ( -1.101 0.000 0.000) 1.101 13.896 ( -7.359 0.000 0.000) 7.359 14.148 ( 9.758 0.000 0.000) 9.758 14.169 ( -12.530 0.000 0.000) 12.530 14.530 ( -50.706 0.000 0.000) 50.706 14.605 ( -1.903 0.000 0.000) 1.903 15.173 ( -6.231 0.000 0.000) 6.231 15.362 ( -41.357 0.000 0.000) 41.357 15.710 ( -14.832 0.000 0.000) 14.832 16.057 ( -26.009 0.000 0.000) 26.009 16.536 ( -18.629 0.000 0.000) 18.629 16.596 ( -37.042 0.000 0.000) 37.042 16.793 ( -19.087 0.000 0.000) 19.087 16.815 ( -4.082 0.000 0.000) 4.082 17.208 ( -0.084 0.000 0.000) 0.084 17.654 ( -11.467 0.000 0.000) 11.467 18.428 ( 36.609 0.000 0.000) 36.609 18.933 ( -15.821 0.000 0.000) 15.821 19.043 ( -10.986 0.000 0.000) 10.986 19.107 ( -2.037 0.000 0.000) 2.037 19.160 ( -0.670 0.000 0.000) 0.670 19.200 ( -2.809 0.000 0.000) 2.809 19.417 ( -8.932 0.000 0.000) 8.932 19.512 ( -8.491 0.000 0.000) 8.491 19.657 ( 6.350 0.000 0.000) 6.350 19.790 ( 0.304 0.000 0.000) 0.304 19.959 ( 0.667 0.000 0.000) 0.667 20.031 ( -6.648 0.000 0.000) 6.648 20.143 ( -0.067 0.000 0.000) 0.067 20.203 ( -4.390 0.000 0.000) 4.390 20.504 ( 1.053 0.000 0.000) 1.053 20.821 ( -6.431 0.000 0.000) 6.431 20.858 ( -2.774 0.000 0.000) 2.774 20.912 ( -2.095 0.000 0.000) 2.095 21.011 ( -1.602 0.000 0.000) 1.602 21.031 ( -2.830 0.000 0.000) 2.830 21.135 ( -7.595 0.000 0.000) 7.595 21.282 ( -14.842 0.000 0.000) 14.842 21.396 ( -6.470 0.000 0.000) 6.470 21.721 ( -14.816 0.000 0.000) 14.816 22.010 ( 6.219 0.000 0.000) 6.219 22.092 ( -3.691 0.000 0.000) 3.691 22.182 ( 3.167 0.000 0.000) 3.167 22.216 ( 1.236 0.000 0.000) 1.236 22.274 ( -9.809 0.000 0.000) 9.809 22.304 ( 20.951 0.000 0.000) 20.951 22.416 ( 9.162 0.000 0.000) 9.162 22.503 ( 20.152 0.000 0.000) 20.152 22.535 ( -7.793 0.000 0.000) 7.793 22.828 ( -0.008 0.000 0.000) 0.008 22.959 ( 0.578 0.000 0.000) 0.578 23.016 ( -9.960 0.000 0.000) 9.960 23.093 ( 5.036 0.000 0.000) 5.036 23.162 ( -5.510 0.000 0.000) 5.510 23.258 ( -6.391 0.000 0.000) 6.391 23.263 ( 0.645 0.000 0.000) 0.645 23.288 ( -12.390 0.000 0.000) 12.390 23.404 ( -4.471 0.000 0.000) 4.471 23.553 ( -8.503 0.000 0.000) 8.503 23.612 ( -9.877 0.000 0.000) 9.877 23.693 ( -8.460 0.000 0.000) 8.460 23.793 ( 3.847 0.000 0.000) 3.847 23.847 ( -2.926 0.000 0.000) 2.926 24.232 ( -2.937 0.000 0.000) 2.937 24.408 ( 0.307 0.000 0.000) 0.307 24.433 ( -3.870 0.000 0.000) 3.870 24.623 ( 8.265 0.000 0.000) 8.265 24.700 ( 8.988 0.000 0.000) 8.988 24.702 ( 7.526 0.000 0.000) 7.526 24.950 ( 6.801 0.000 0.000) 6.801 24.964 ( 7.912 0.000 0.000) 7.912 25.073 ( 10.530 0.000 0.000) 10.530 25.090 ( -0.594 0.000 0.000) 0.594 25.196 ( 11.122 0.000 0.000) 11.122 25.558 ( 6.994 0.000 0.000) 6.994 25.582 ( 1.587 0.000 0.000) 1.587 25.675 ( 8.846 0.000 0.000) 8.846 25.733 ( 10.753 0.000 0.000) 10.753 25.821 ( 6.674 0.000 0.000) 6.674 25.971 ( -5.213 0.000 0.000) 5.213 26.856 ( -8.130 0.000 0.000) 8.130 26.877 ( 5.300 0.000 0.000) 5.300 27.232 ( -12.105 0.000 0.000) 12.105 27.302 ( -6.884 0.000 0.000) 6.884 28.060 ( -24.245 0.000 0.000) 24.245 28.122 ( -21.961 0.000 0.000) 21.961 28.181 ( -23.709 0.000 0.000) 23.709 28.235 ( -23.120 0.000 0.000) 23.120 30.194 ( 20.782 0.000 0.000) 20.782 30.554 ( 12.072 0.000 0.000) 12.072 30.897 ( 24.956 0.000 0.000) 24.956 31.001 ( -1.301 0.000 0.000) 1.301 31.160 ( 6.391 0.000 0.000) 6.391 31.228 ( 18.979 0.000 0.000) 18.979 31.515 ( 18.683 0.000 0.000) 18.683 31.937 ( 2.359 0.000 0.000) 2.359 35.037 ( -1.151 0.000 0.000) 1.151 35.092 ( -4.172 0.000 0.000) 4.172 35.108 ( -5.113 0.000 0.000) 5.113 35.126 ( -5.238 0.000 0.000) 5.238 35.357 ( 0.966 0.000 0.000) 0.966 35.644 ( -1.391 0.000 0.000) 1.391 35.730 ( -8.782 0.000 0.000) 8.782 35.908 ( -6.631 0.000 0.000) 6.631 39.435 ( 13.355 0.000 0.000) 13.355 39.587 ( 16.050 0.000 0.000) 16.050 39.777 ( 7.627 0.000 0.000) 7.627 39.918 ( 7.663 0.000 0.000) 7.663 39.933 ( 3.961 0.000 0.000) 3.961 40.255 ( 5.346 0.000 0.000) 5.346 40.415 ( 26.315 0.000 0.000) 26.315 40.869 ( -8.773 0.000 0.000) 8.773 40.974 ( 18.284 0.000 0.000) 18.284 41.090 ( 22.948 0.000 0.000) 22.948 41.218 ( 9.416 0.000 0.000) 9.416 41.423 ( 10.940 0.000 0.000) 10.940 41.762 ( -20.865 0.000 0.000) 20.865 41.810 ( 15.197 0.000 0.000) 15.197 41.875 ( 8.685 0.000 0.000) 8.685 42.592 ( -6.920 0.000 0.000) 6.920 97.705 ( 24.045 0.000 0.000) 24.045 97.726 ( 23.653 0.000 0.000) 23.653 97.836 ( 24.616 0.000 0.000) 24.616 98.259 ( 15.186 0.000 0.000) 15.186 99.861 ( -13.249 0.000 0.000) 13.249 99.898 ( -10.902 0.000 0.000) 10.902 99.907 ( -13.826 0.000 0.000) 13.826 100.111 ( -17.332 0.000 0.000) 17.332 ======================= Grid point 4 (5/54) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.748 ( 27.282 0.000 0.000) 27.282 3.947 ( 19.197 0.000 0.000) 19.197 4.374 ( 25.418 0.000 0.000) 25.418 4.442 ( -0.622 0.000 0.000) 0.622 4.525 ( 8.540 0.000 0.000) 8.540 4.698 ( -9.257 0.000 0.000) 9.257 4.739 ( 11.976 0.000 0.000) 11.976 4.739 ( 1.153 0.000 0.000) 1.153 4.772 ( 17.020 0.000 0.000) 17.020 5.289 ( 6.460 0.000 0.000) 6.460 5.444 ( 0.212 0.000 0.000) 0.212 5.460 ( 9.086 0.000 0.000) 9.086 5.620 ( 8.336 0.000 0.000) 8.336 5.892 ( 30.880 0.000 0.000) 30.880 5.930 ( -4.856 0.000 0.000) 4.856 6.008 ( 7.438 0.000 0.000) 7.438 6.437 ( -1.981 0.000 0.000) 1.981 6.479 ( -4.874 0.000 0.000) 4.874 6.569 ( -14.152 0.000 0.000) 14.152 7.404 ( 35.761 0.000 0.000) 35.761 7.415 ( -17.767 0.000 0.000) 17.767 7.702 ( 17.119 0.000 0.000) 17.119 7.790 ( 23.735 0.000 0.000) 23.735 7.888 ( 30.516 0.000 0.000) 30.516 8.280 ( 6.929 0.000 0.000) 6.929 8.284 ( 19.567 0.000 0.000) 19.567 8.287 ( 13.334 0.000 0.000) 13.334 8.408 ( -9.412 0.000 0.000) 9.412 8.491 ( 21.017 0.000 0.000) 21.017 8.565 ( 1.763 0.000 0.000) 1.763 8.669 ( 8.824 0.000 0.000) 8.824 8.669 ( -3.655 0.000 0.000) 3.655 8.793 ( 0.587 0.000 0.000) 0.587 8.926 ( 14.810 0.000 0.000) 14.810 9.135 ( -0.565 0.000 0.000) 0.565 9.183 ( 13.016 0.000 0.000) 13.016 9.492 ( -3.703 0.000 0.000) 3.703 9.834 ( 18.379 0.000 0.000) 18.379 9.951 ( 18.230 0.000 0.000) 18.230 9.997 ( 31.226 0.000 0.000) 31.226 10.104 ( 25.491 0.000 0.000) 25.491 10.331 ( 10.661 0.000 0.000) 10.661 10.367 ( -11.129 0.000 0.000) 11.129 10.473 ( -2.530 0.000 0.000) 2.530 10.897 ( 16.029 0.000 0.000) 16.029 10.898 ( 4.782 0.000 0.000) 4.782 10.983 ( -15.286 0.000 0.000) 15.286 11.157 ( -1.721 0.000 0.000) 1.721 11.234 ( -7.087 0.000 0.000) 7.087 11.366 ( -10.031 0.000 0.000) 10.031 11.539 ( -13.009 0.000 0.000) 13.009 11.731 ( -2.577 0.000 0.000) 2.577 11.735 ( 4.555 0.000 0.000) 4.555 11.863 ( -0.982 0.000 0.000) 0.982 11.956 ( -12.266 0.000 0.000) 12.266 12.057 ( -21.579 0.000 0.000) 21.579 12.135 ( 1.974 0.000 0.000) 1.974 12.406 ( 19.485 0.000 0.000) 19.485 12.445 ( -3.864 0.000 0.000) 3.864 12.648 ( -0.376 0.000 0.000) 0.376 12.755 ( -2.969 0.000 0.000) 2.969 13.013 ( 33.640 0.000 0.000) 33.640 13.098 ( 8.472 0.000 0.000) 8.472 13.249 ( -1.607 0.000 0.000) 1.607 13.356 ( 11.934 0.000 0.000) 11.934 13.636 ( -31.057 0.000 0.000) 31.057 13.781 ( -5.013 0.000 0.000) 5.013 14.055 ( -2.143 0.000 0.000) 2.143 14.438 ( 14.483 0.000 0.000) 14.483 14.584 ( 0.516 0.000 0.000) 0.516 14.672 ( -25.189 0.000 0.000) 25.189 14.965 ( -16.860 0.000 0.000) 16.860 15.504 ( -10.811 0.000 0.000) 10.811 15.731 ( -4.492 0.000 0.000) 4.492 15.857 ( -28.562 0.000 0.000) 28.562 16.290 ( 0.083 0.000 0.000) 0.083 16.310 ( -19.771 0.000 0.000) 19.771 16.389 ( -15.937 0.000 0.000) 15.937 17.207 ( -32.291 0.000 0.000) 32.291 17.695 ( 26.987 0.000 0.000) 26.987 18.353 ( -42.843 0.000 0.000) 42.843 18.662 ( -23.229 0.000 0.000) 23.229 18.884 ( -23.333 0.000 0.000) 23.333 18.912 ( -17.587 0.000 0.000) 17.587 19.158 ( 32.420 0.000 0.000) 32.420 19.188 ( 2.251 0.000 0.000) 2.251 19.275 ( -0.428 0.000 0.000) 0.428 19.493 ( 5.911 0.000 0.000) 5.911 19.705 ( -5.029 0.000 0.000) 5.029 19.810 ( 8.165 0.000 0.000) 8.165 20.001 ( 2.064 0.000 0.000) 2.064 20.045 ( 4.341 0.000 0.000) 4.341 20.084 ( -5.468 0.000 0.000) 5.468 20.108 ( -4.507 0.000 0.000) 4.507 20.390 ( -10.732 0.000 0.000) 10.732 20.574 ( -13.743 0.000 0.000) 13.743 20.818 ( -0.975 0.000 0.000) 0.975 20.894 ( 1.346 0.000 0.000) 1.346 21.045 ( 4.267 0.000 0.000) 4.267 21.046 ( 4.040 0.000 0.000) 4.040 21.065 ( -1.307 0.000 0.000) 1.307 21.099 ( -6.380 0.000 0.000) 6.380 21.312 ( -2.271 0.000 0.000) 2.271 21.517 ( -6.303 0.000 0.000) 6.303 22.032 ( -1.712 0.000 0.000) 1.712 22.102 ( 2.158 0.000 0.000) 2.158 22.163 ( 0.180 0.000 0.000) 0.180 22.187 ( -1.158 0.000 0.000) 1.158 22.196 ( -2.876 0.000 0.000) 2.876 22.418 ( -2.891 0.000 0.000) 2.891 22.631 ( 8.837 0.000 0.000) 8.837 22.684 ( 7.428 0.000 0.000) 7.428 22.813 ( -2.729 0.000 0.000) 2.729 22.823 ( 8.984 0.000 0.000) 8.984 22.823 ( -0.842 0.000 0.000) 0.842 22.860 ( -4.745 0.000 0.000) 4.745 22.976 ( -16.866 0.000 0.000) 16.866 23.037 ( -4.610 0.000 0.000) 4.610 23.041 ( -10.692 0.000 0.000) 10.692 23.157 ( -5.447 0.000 0.000) 5.447 23.377 ( 3.641 0.000 0.000) 3.641 23.405 ( 9.362 0.000 0.000) 9.362 23.441 ( -5.503 0.000 0.000) 5.503 23.526 ( 2.997 0.000 0.000) 2.997 23.779 ( -3.601 0.000 0.000) 3.601 23.788 ( 15.500 0.000 0.000) 15.500 23.942 ( 2.691 0.000 0.000) 2.691 24.244 ( 15.772 0.000 0.000) 15.772 24.319 ( -7.357 0.000 0.000) 7.357 24.343 ( -2.720 0.000 0.000) 2.720 24.799 ( 8.911 0.000 0.000) 8.911 24.861 ( 6.586 0.000 0.000) 6.586 24.900 ( 9.359 0.000 0.000) 9.359 24.995 ( -2.662 0.000 0.000) 2.662 25.062 ( 1.183 0.000 0.000) 1.183 25.154 ( 5.093 0.000 0.000) 5.093 25.215 ( 3.398 0.000 0.000) 3.398 25.405 ( 7.787 0.000 0.000) 7.787 25.588 ( -2.071 0.000 0.000) 2.071 25.622 ( 2.177 0.000 0.000) 2.177 25.767 ( -3.219 0.000 0.000) 3.219 25.919 ( 8.199 0.000 0.000) 8.199 25.934 ( 4.297 0.000 0.000) 4.297 25.949 ( 2.932 0.000 0.000) 2.932 26.712 ( -4.808 0.000 0.000) 4.808 27.004 ( 6.184 0.000 0.000) 6.184 27.043 ( -5.828 0.000 0.000) 5.828 27.223 ( -1.340 0.000 0.000) 1.340 27.541 ( -25.416 0.000 0.000) 25.416 27.647 ( -22.288 0.000 0.000) 22.288 27.714 ( -20.866 0.000 0.000) 20.866 27.727 ( -25.422 0.000 0.000) 25.422 30.625 ( 20.220 0.000 0.000) 20.220 30.766 ( 8.375 0.000 0.000) 8.375 30.978 ( -0.923 0.000 0.000) 0.923 31.245 ( 1.345 0.000 0.000) 1.345 31.340 ( 18.075 0.000 0.000) 18.075 31.583 ( 14.876 0.000 0.000) 14.876 31.806 ( 9.475 0.000 0.000) 9.475 31.937 ( -2.419 0.000 0.000) 2.419 35.006 ( -1.644 0.000 0.000) 1.644 35.012 ( -3.434 0.000 0.000) 3.434 35.014 ( -3.863 0.000 0.000) 3.863 35.032 ( -3.676 0.000 0.000) 3.676 35.413 ( 4.235 0.000 0.000) 4.235 35.613 ( -2.885 0.000 0.000) 2.885 35.624 ( -0.770 0.000 0.000) 0.770 35.773 ( -6.492 0.000 0.000) 6.492 39.730 ( 15.094 0.000 0.000) 15.094 39.905 ( 4.725 0.000 0.000) 4.725 39.949 ( 18.933 0.000 0.000) 18.933 39.972 ( 1.492 0.000 0.000) 1.492 40.069 ( 5.842 0.000 0.000) 5.842 40.296 ( -0.689 0.000 0.000) 0.689 40.605 ( -10.270 0.000 0.000) 10.270 40.904 ( 11.324 0.000 0.000) 11.324 41.276 ( 10.769 0.000 0.000) 10.769 41.357 ( -15.524 0.000 0.000) 15.524 41.442 ( 11.161 0.000 0.000) 11.161 41.553 ( 21.235 0.000 0.000) 21.235 41.618 ( 7.235 0.000 0.000) 7.235 42.057 ( 8.259 0.000 0.000) 8.259 42.071 ( 9.734 0.000 0.000) 9.734 42.435 ( -8.592 0.000 0.000) 8.592 98.215 ( 25.157 0.000 0.000) 25.157 98.222 ( 24.299 0.000 0.000) 24.299 98.343 ( 24.490 0.000 0.000) 24.490 98.597 ( 17.488 0.000 0.000) 17.488 99.547 ( -17.189 0.000 0.000) 17.189 99.583 ( -17.659 0.000 0.000) 17.659 99.640 ( -14.164 0.000 0.000) 14.164 99.729 ( -19.822 0.000 0.000) 19.822 ======================= Grid point 5 (6/54) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.201 ( 16.274 0.000 0.000) 16.274 4.207 ( 10.768 0.000 0.000) 10.768 4.404 ( -4.336 0.000 0.000) 4.336 4.444 ( -12.421 0.000 0.000) 12.421 4.658 ( 4.766 0.000 0.000) 4.766 4.734 ( -2.323 0.000 0.000) 2.323 4.900 ( 17.157 0.000 0.000) 17.157 4.957 ( 5.901 0.000 0.000) 5.901 5.040 ( 11.566 0.000 0.000) 11.566 5.325 ( -11.281 0.000 0.000) 11.281 5.532 ( 16.877 0.000 0.000) 16.877 5.609 ( 5.739 0.000 0.000) 5.739 5.684 ( -1.034 0.000 0.000) 1.034 5.844 ( -8.444 0.000 0.000) 8.444 6.151 ( 6.946 0.000 0.000) 6.946 6.280 ( -3.224 0.000 0.000) 3.224 6.286 ( -7.447 0.000 0.000) 7.447 6.333 ( -7.674 0.000 0.000) 7.674 6.532 ( 22.398 0.000 0.000) 22.398 7.001 ( -21.755 0.000 0.000) 21.755 7.967 ( 10.508 0.000 0.000) 10.508 8.070 ( 18.124 0.000 0.000) 18.124 8.190 ( 15.404 0.000 0.000) 15.404 8.226 ( -0.003 0.000 0.000) 0.003 8.331 ( 8.924 0.000 0.000) 8.924 8.432 ( 1.600 0.000 0.000) 1.600 8.520 ( 6.015 0.000 0.000) 6.015 8.548 ( -3.130 0.000 0.000) 3.130 8.548 ( -1.824 0.000 0.000) 1.824 8.615 ( -4.412 0.000 0.000) 4.412 8.698 ( 12.286 0.000 0.000) 12.286 8.761 ( 4.009 0.000 0.000) 4.009 9.016 ( 11.370 0.000 0.000) 11.370 9.114 ( 0.166 0.000 0.000) 0.166 9.123 ( 6.313 0.000 0.000) 6.313 9.254 ( -6.902 0.000 0.000) 6.902 9.629 ( 19.497 0.000 0.000) 19.497 10.027 ( 4.428 0.000 0.000) 4.428 10.074 ( -19.947 0.000 0.000) 19.947 10.231 ( -2.298 0.000 0.000) 2.298 10.374 ( 9.584 0.000 0.000) 9.584 10.384 ( 10.238 0.000 0.000) 10.238 10.429 ( 0.770 0.000 0.000) 0.770 10.475 ( 0.927 0.000 0.000) 0.927 10.683 ( -0.635 0.000 0.000) 0.635 10.874 ( -2.493 0.000 0.000) 2.493 10.893 ( -14.345 0.000 0.000) 14.345 11.005 ( -17.326 0.000 0.000) 17.326 11.148 ( -0.721 0.000 0.000) 0.721 11.277 ( -10.405 0.000 0.000) 10.405 11.445 ( 18.489 0.000 0.000) 18.489 11.681 ( -7.247 0.000 0.000) 7.247 11.702 ( 7.644 0.000 0.000) 7.644 11.769 ( -3.413 0.000 0.000) 3.413 11.802 ( -4.001 0.000 0.000) 4.001 12.092 ( -22.058 0.000 0.000) 22.058 12.201 ( 21.011 0.000 0.000) 21.011 12.370 ( 5.830 0.000 0.000) 5.830 12.663 ( 0.182 0.000 0.000) 0.182 12.676 ( -3.785 0.000 0.000) 3.785 12.819 ( 18.225 0.000 0.000) 18.225 13.122 ( -10.816 0.000 0.000) 10.816 13.386 ( 15.686 0.000 0.000) 15.686 13.430 ( 5.778 0.000 0.000) 5.778 13.529 ( 1.137 0.000 0.000) 1.137 13.634 ( 2.687 0.000 0.000) 2.687 13.672 ( 12.995 0.000 0.000) 12.995 13.957 ( -7.482 0.000 0.000) 7.482 14.352 ( -4.809 0.000 0.000) 4.809 14.471 ( -11.003 0.000 0.000) 11.003 14.647 ( -7.853 0.000 0.000) 7.853 14.651 ( 0.679 0.000 0.000) 0.679 15.278 ( -2.251 0.000 0.000) 2.251 15.521 ( -18.099 0.000 0.000) 18.099 15.730 ( 18.448 0.000 0.000) 18.448 16.390 ( 14.193 0.000 0.000) 14.193 16.390 ( 28.161 0.000 0.000) 28.161 16.410 ( -41.426 0.000 0.000) 41.426 16.467 ( 8.270 0.000 0.000) 8.270 17.319 ( -53.089 0.000 0.000) 53.089 18.189 ( 21.091 0.000 0.000) 21.091 18.243 ( -11.951 0.000 0.000) 11.951 18.360 ( -21.488 0.000 0.000) 21.488 18.572 ( -16.801 0.000 0.000) 16.801 19.241 ( 2.748 0.000 0.000) 2.748 19.285 ( -0.827 0.000 0.000) 0.827 19.635 ( 6.509 0.000 0.000) 6.509 19.651 ( 10.798 0.000 0.000) 10.798 19.704 ( 6.110 0.000 0.000) 6.110 19.909 ( -11.346 0.000 0.000) 11.346 19.990 ( 11.584 0.000 0.000) 11.584 20.063 ( 1.994 0.000 0.000) 1.994 20.063 ( 3.137 0.000 0.000) 3.137 20.093 ( 0.097 0.000 0.000) 0.097 20.176 ( -7.928 0.000 0.000) 7.928 20.293 ( -14.600 0.000 0.000) 14.600 20.835 ( 3.116 0.000 0.000) 3.116 20.951 ( -7.535 0.000 0.000) 7.535 20.954 ( 3.855 0.000 0.000) 3.855 21.028 ( -2.822 0.000 0.000) 2.822 21.158 ( 6.113 0.000 0.000) 6.113 21.184 ( 8.763 0.000 0.000) 8.763 21.264 ( -3.526 0.000 0.000) 3.526 21.371 ( -8.610 0.000 0.000) 8.610 22.051 ( 2.753 0.000 0.000) 2.753 22.103 ( -1.677 0.000 0.000) 1.677 22.145 ( -1.045 0.000 0.000) 1.045 22.156 ( -1.528 0.000 0.000) 1.528 22.279 ( 10.794 0.000 0.000) 10.794 22.428 ( 3.708 0.000 0.000) 3.708 22.557 ( -8.354 0.000 0.000) 8.354 22.568 ( -15.598 0.000 0.000) 15.598 22.785 ( 2.233 0.000 0.000) 2.233 22.815 ( 0.826 0.000 0.000) 0.826 22.830 ( 1.503 0.000 0.000) 1.503 22.861 ( -2.075 0.000 0.000) 2.075 22.869 ( -5.810 0.000 0.000) 5.810 22.892 ( -2.235 0.000 0.000) 2.235 22.996 ( 0.494 0.000 0.000) 0.494 23.043 ( -3.818 0.000 0.000) 3.818 23.427 ( 2.572 0.000 0.000) 2.572 23.441 ( 2.034 0.000 0.000) 2.034 23.629 ( 5.317 0.000 0.000) 5.317 23.659 ( 13.268 0.000 0.000) 13.268 23.709 ( -3.199 0.000 0.000) 3.199 23.894 ( -7.381 0.000 0.000) 7.381 23.970 ( 5.064 0.000 0.000) 5.064 24.141 ( -9.542 0.000 0.000) 9.542 24.512 ( 17.854 0.000 0.000) 17.854 24.787 ( 26.466 0.000 0.000) 26.466 24.842 ( -12.198 0.000 0.000) 12.198 24.995 ( 9.481 0.000 0.000) 9.481 25.003 ( 10.977 0.000 0.000) 10.977 25.022 ( -4.229 0.000 0.000) 4.229 25.066 ( 5.952 0.000 0.000) 5.952 25.199 ( -0.674 0.000 0.000) 0.674 25.200 ( -5.882 0.000 0.000) 5.882 25.488 ( 1.017 0.000 0.000) 1.017 25.493 ( -22.354 0.000 0.000) 22.354 25.514 ( -3.084 0.000 0.000) 3.084 25.752 ( 10.209 0.000 0.000) 10.209 25.937 ( -5.249 0.000 0.000) 5.249 26.043 ( 4.471 0.000 0.000) 4.471 26.062 ( 3.857 0.000 0.000) 3.857 26.727 ( 8.290 0.000 0.000) 8.290 27.021 ( 4.467 0.000 0.000) 4.467 27.053 ( -21.349 0.000 0.000) 21.349 27.124 ( 5.981 0.000 0.000) 5.981 27.232 ( 2.527 0.000 0.000) 2.527 27.255 ( -18.499 0.000 0.000) 18.499 27.290 ( -11.777 0.000 0.000) 11.777 27.368 ( -11.798 0.000 0.000) 11.798 30.896 ( 4.368 0.000 0.000) 4.368 30.955 ( -1.661 0.000 0.000) 1.661 30.988 ( 14.399 0.000 0.000) 14.399 31.199 ( -6.104 0.000 0.000) 6.104 31.645 ( 11.881 0.000 0.000) 11.881 31.821 ( 8.061 0.000 0.000) 8.061 31.838 ( -7.110 0.000 0.000) 7.110 31.904 ( 0.171 0.000 0.000) 0.171 34.959 ( -1.350 0.000 0.000) 1.350 34.960 ( -1.416 0.000 0.000) 1.416 34.979 ( -0.792 0.000 0.000) 0.792 34.982 ( -1.231 0.000 0.000) 1.231 35.519 ( 5.773 0.000 0.000) 5.773 35.592 ( 0.301 0.000 0.000) 0.301 35.607 ( -0.891 0.000 0.000) 0.891 35.643 ( -6.226 0.000 0.000) 6.226 39.972 ( 1.951 0.000 0.000) 1.951 39.990 ( 0.124 0.000 0.000) 0.124 40.043 ( 15.235 0.000 0.000) 15.235 40.173 ( 4.416 0.000 0.000) 4.416 40.252 ( -3.188 0.000 0.000) 3.188 40.345 ( -13.989 0.000 0.000) 13.989 40.353 ( 20.275 0.000 0.000) 20.275 40.765 ( -18.841 0.000 0.000) 18.841 41.338 ( 6.724 0.000 0.000) 6.724 41.403 ( 1.385 0.000 0.000) 1.385 41.633 ( 6.705 0.000 0.000) 6.705 41.699 ( 0.409 0.000 0.000) 0.409 41.941 ( 16.445 0.000 0.000) 16.445 42.186 ( 3.846 0.000 0.000) 3.846 42.200 ( 2.746 0.000 0.000) 2.746 42.229 ( -11.778 0.000 0.000) 11.778 98.710 ( 23.033 0.000 0.000) 23.033 98.721 ( 23.871 0.000 0.000) 23.871 98.835 ( 23.410 0.000 0.000) 23.410 98.964 ( 17.931 0.000 0.000) 17.931 99.159 ( -20.542 0.000 0.000) 20.542 99.185 ( -21.098 0.000 0.000) 21.098 99.300 ( -21.866 0.000 0.000) 21.866 99.321 ( -16.679 0.000 0.000) 16.679 ======================= Grid point 11 (7/54) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 0.000 44.157 0.000) 44.157 1.153 ( 0.000 55.399 0.000) 55.399 1.265 ( 0.000 60.265 0.000) 60.265 2.635 ( 0.000 -6.364 0.000) 6.364 3.263 ( 0.000 17.201 0.000) 17.201 3.499 ( 0.000 16.019 0.000) 16.019 3.845 ( 0.000 -21.396 0.000) 21.396 3.945 ( 0.000 11.257 0.000) 11.257 4.377 ( 0.000 -22.554 0.000) 22.554 4.572 ( 0.000 -29.283 0.000) 29.283 4.673 ( 0.000 -11.661 0.000) 11.661 4.768 ( 0.000 -13.774 0.000) 13.774 4.790 ( 0.000 -3.380 0.000) 3.380 4.871 ( 0.000 -5.431 0.000) 5.431 5.077 ( 0.000 9.578 0.000) 9.578 5.078 ( 0.000 -5.961 0.000) 5.961 5.314 ( 0.000 2.016 0.000) 2.016 5.508 ( 0.000 6.969 0.000) 6.969 6.012 ( 0.000 27.460 0.000) 27.460 6.124 ( 0.000 -18.020 0.000) 18.020 6.158 ( 0.000 23.637 0.000) 23.637 6.520 ( 0.000 8.652 0.000) 8.652 6.685 ( 0.000 -0.846 0.000) 0.846 6.902 ( 0.000 0.958 0.000) 0.958 7.139 ( 0.000 -11.340 0.000) 11.340 7.358 ( 0.000 -2.961 0.000) 2.961 7.475 ( 0.000 -26.395 0.000) 26.395 7.769 ( 0.000 -8.559 0.000) 8.559 7.924 ( 0.000 13.025 0.000) 13.025 7.951 ( 0.000 17.419 0.000) 17.419 7.953 ( 0.000 -10.578 0.000) 10.578 8.401 ( 0.000 1.092 0.000) 1.092 8.418 ( 0.000 13.755 0.000) 13.755 8.744 ( 0.000 10.374 0.000) 10.374 8.888 ( 0.000 0.176 0.000) 0.176 8.997 ( 0.000 -8.047 0.000) 8.047 9.048 ( 0.000 -11.570 0.000) 11.570 9.207 ( 0.000 -11.058 0.000) 11.058 9.253 ( 0.000 6.488 0.000) 6.488 9.545 ( 0.000 8.253 0.000) 8.253 9.598 ( 0.000 1.177 0.000) 1.177 9.685 ( 0.000 -3.479 0.000) 3.479 9.693 ( 0.000 -11.310 0.000) 11.310 10.384 ( 0.000 18.475 0.000) 18.475 10.445 ( 0.000 2.178 0.000) 2.178 10.458 ( 0.000 -24.314 0.000) 24.314 10.684 ( 0.000 -1.377 0.000) 1.377 10.806 ( 0.000 -3.219 0.000) 3.219 11.027 ( 0.000 6.840 0.000) 6.840 11.196 ( 0.000 3.731 0.000) 3.731 11.266 ( 0.000 -0.111 0.000) 0.111 11.590 ( 0.000 13.122 0.000) 13.122 11.625 ( 0.000 -12.416 0.000) 12.416 12.156 ( 0.000 2.777 0.000) 2.777 12.220 ( 0.000 11.730 0.000) 11.730 12.372 ( 0.000 1.035 0.000) 1.035 12.721 ( 0.000 -6.274 0.000) 6.274 12.745 ( 0.000 -7.292 0.000) 7.292 12.764 ( 0.000 -9.259 0.000) 9.259 12.799 ( 0.000 -7.709 0.000) 7.709 13.117 ( 0.000 9.039 0.000) 9.039 13.319 ( 0.000 -0.564 0.000) 0.564 13.555 ( 0.000 6.595 0.000) 6.595 13.572 ( 0.000 0.213 0.000) 0.213 14.075 ( 0.000 4.784 0.000) 4.784 14.509 ( 0.000 15.667 0.000) 15.667 14.735 ( 0.000 -9.021 0.000) 9.021 14.995 ( 0.000 1.798 0.000) 1.798 15.070 ( 0.000 1.929 0.000) 1.929 15.613 ( 0.000 -2.025 0.000) 2.025 15.733 ( 0.000 -3.712 0.000) 3.712 16.115 ( 0.000 -17.879 0.000) 17.879 16.754 ( 0.000 0.789 0.000) 0.789 16.950 ( 0.000 9.765 0.000) 9.765 16.973 ( 0.000 -3.129 0.000) 3.129 17.168 ( 0.000 3.566 0.000) 3.566 17.368 ( 0.000 -1.320 0.000) 1.320 17.524 ( 0.000 1.526 0.000) 1.526 17.899 ( 0.000 0.570 0.000) 0.570 18.394 ( 0.000 -0.547 0.000) 0.547 18.446 ( 0.000 -4.579 0.000) 4.579 18.863 ( 0.000 -13.064 0.000) 13.064 18.943 ( 0.000 2.300 0.000) 2.300 19.130 ( 0.000 11.721 0.000) 11.721 19.148 ( 0.000 -3.183 0.000) 3.183 19.188 ( 0.000 4.424 0.000) 4.424 19.276 ( 0.000 2.608 0.000) 2.608 19.524 ( 0.000 4.529 0.000) 4.529 19.592 ( 0.000 3.417 0.000) 3.417 19.654 ( 0.000 -5.431 0.000) 5.431 19.870 ( 0.000 -5.426 0.000) 5.426 20.089 ( 0.000 -10.128 0.000) 10.128 20.098 ( 0.000 -6.248 0.000) 6.248 20.242 ( 0.000 -8.932 0.000) 8.932 20.448 ( 0.000 8.170 0.000) 8.170 20.606 ( 0.000 3.106 0.000) 3.106 20.798 ( 0.000 3.702 0.000) 3.702 21.120 ( 0.000 -3.356 0.000) 3.356 21.409 ( 0.000 -0.325 0.000) 0.325 21.432 ( 0.000 -1.458 0.000) 1.458 21.526 ( 0.000 6.459 0.000) 6.459 21.710 ( 0.000 -1.325 0.000) 1.325 21.759 ( 0.000 -3.717 0.000) 3.717 21.883 ( 0.000 5.155 0.000) 5.155 22.025 ( 0.000 3.139 0.000) 3.139 22.040 ( 0.000 1.838 0.000) 1.838 22.047 ( 0.000 -2.363 0.000) 2.363 22.119 ( 0.000 -2.971 0.000) 2.971 22.246 ( 0.000 2.184 0.000) 2.184 22.505 ( 0.000 -4.577 0.000) 4.577 22.545 ( 0.000 11.700 0.000) 11.700 22.836 ( 0.000 3.472 0.000) 3.472 22.896 ( 0.000 2.914 0.000) 2.914 23.085 ( 0.000 -4.968 0.000) 4.968 23.130 ( 0.000 -1.533 0.000) 1.533 23.142 ( 0.000 1.237 0.000) 1.237 23.193 ( 0.000 5.128 0.000) 5.128 23.226 ( 0.000 0.671 0.000) 0.671 23.354 ( 0.000 0.708 0.000) 0.708 23.374 ( 0.000 6.359 0.000) 6.359 23.435 ( 0.000 -4.582 0.000) 4.582 23.531 ( 0.000 -2.298 0.000) 2.298 23.614 ( 0.000 16.926 0.000) 16.926 23.625 ( 0.000 12.839 0.000) 12.839 23.720 ( 0.000 -6.988 0.000) 6.988 23.864 ( 0.000 -5.467 0.000) 5.467 24.303 ( 0.000 3.317 0.000) 3.317 24.432 ( 0.000 -2.528 0.000) 2.528 24.462 ( 0.000 1.372 0.000) 1.372 24.491 ( 0.000 2.698 0.000) 2.698 24.523 ( 0.000 -0.611 0.000) 0.611 24.547 ( 0.000 -0.554 0.000) 0.554 24.572 ( 0.000 -0.865 0.000) 0.865 24.638 ( 0.000 1.397 0.000) 1.397 24.667 ( 0.000 -1.831 0.000) 1.831 24.711 ( 0.000 -0.388 0.000) 0.388 24.785 ( 0.000 -1.652 0.000) 1.652 24.981 ( 0.000 -3.574 0.000) 3.574 25.013 ( 0.000 -0.567 0.000) 0.567 25.059 ( 0.000 -12.688 0.000) 12.688 25.129 ( 0.000 -3.660 0.000) 3.660 25.273 ( 0.000 -9.440 0.000) 9.440 25.780 ( 0.000 13.675 0.000) 13.675 26.482 ( 0.000 -5.961 0.000) 5.961 27.071 ( 0.000 -0.376 0.000) 0.376 27.241 ( 0.000 -4.430 0.000) 4.430 27.292 ( 0.000 9.517 0.000) 9.517 28.026 ( 0.000 -9.695 0.000) 9.695 28.941 ( 0.000 0.197 0.000) 0.197 28.976 ( 0.000 -0.812 0.000) 0.812 29.010 ( 0.000 0.739 0.000) 0.739 29.014 ( 0.000 0.909 0.000) 0.909 29.507 ( 0.000 1.011 0.000) 1.011 29.514 ( 0.000 1.813 0.000) 1.813 29.943 ( 0.000 1.184 0.000) 1.184 30.262 ( 0.000 -8.568 0.000) 8.568 30.489 ( 0.000 9.598 0.000) 9.598 30.965 ( 0.000 11.292 0.000) 11.292 31.043 ( 0.000 -3.763 0.000) 3.763 31.570 ( 0.000 -5.143 0.000) 5.143 35.080 ( 0.000 2.161 0.000) 2.161 35.375 ( 0.000 6.684 0.000) 6.684 35.396 ( 0.000 -6.046 0.000) 6.046 35.479 ( 0.000 9.987 0.000) 9.987 35.853 ( 0.000 5.589 0.000) 5.589 36.112 ( 0.000 -5.490 0.000) 5.490 36.174 ( 0.000 -2.925 0.000) 2.925 36.261 ( 0.000 -12.081 0.000) 12.081 38.923 ( 0.000 0.259 0.000) 0.259 38.946 ( 0.000 -1.656 0.000) 1.656 39.008 ( 0.000 -2.439 0.000) 2.439 39.029 ( 0.000 -3.643 0.000) 3.643 39.362 ( 0.000 4.995 0.000) 4.995 39.396 ( 0.000 4.563 0.000) 4.563 39.634 ( 0.000 -1.546 0.000) 1.546 39.678 ( 0.000 -2.827 0.000) 2.827 40.064 ( 0.000 0.896 0.000) 0.896 40.170 ( 0.000 -1.517 0.000) 1.517 41.057 ( 0.000 1.420 0.000) 1.420 41.081 ( 0.000 1.346 0.000) 1.346 41.101 ( 0.000 1.438 0.000) 1.438 41.174 ( 0.000 -1.155 0.000) 1.155 42.639 ( 0.000 3.567 0.000) 3.567 43.027 ( 0.000 -5.206 0.000) 5.206 96.809 ( 0.000 0.082 0.000) 0.082 96.810 ( 0.000 0.180 0.000) 0.180 96.816 ( 0.000 -0.072 0.000) 0.072 96.827 ( 0.000 -0.208 0.000) 0.208 100.235 ( 0.000 0.043 0.000) 0.043 100.259 ( 0.000 -0.946 0.000) 0.946 100.390 ( 0.000 3.570 0.000) 3.570 100.709 ( 0.000 -4.197 0.000) 4.197 ======================= Grid point 12 (8/54) ======================= q-point: ( 0.09 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 40.564 34.043 0.000) 52.956 1.625 ( 37.998 38.108 0.000) 53.815 2.632 ( 97.443 24.680 0.000) 100.520 3.381 ( 44.028 -9.866 0.000) 45.120 3.519 ( 21.446 13.981 0.000) 25.601 3.687 ( 30.661 14.140 0.000) 33.764 3.888 ( 8.311 -15.568 0.000) 17.648 4.023 ( 6.712 6.471 0.000) 9.324 4.299 ( -0.338 -21.021 0.000) 21.024 4.605 ( 5.084 -9.870 0.000) 11.103 4.748 ( -3.266 -6.030 0.000) 6.857 4.900 ( 4.038 8.983 0.000) 9.849 4.929 ( 12.790 -0.714 0.000) 12.810 4.966 ( 11.055 -10.239 0.000) 15.068 5.128 ( 3.746 -4.124 0.000) 5.571 5.143 ( 25.155 -18.821 0.000) 31.416 5.545 ( 17.153 7.703 0.000) 18.803 5.690 ( 10.308 1.992 0.000) 10.499 6.079 ( -0.092 12.924 0.000) 12.924 6.224 ( 12.858 20.591 0.000) 24.276 6.241 ( 11.982 -12.344 0.000) 17.203 6.656 ( 14.812 9.063 0.000) 17.364 6.820 ( 13.069 6.268 0.000) 14.495 6.830 ( -4.359 -6.922 0.000) 8.180 7.160 ( 3.806 -14.444 0.000) 14.937 7.338 ( -3.656 1.489 0.000) 3.948 7.509 ( 3.424 -27.499 0.000) 27.712 7.829 ( 4.958 -8.693 0.000) 10.007 7.954 ( 4.426 10.154 0.000) 11.077 8.052 ( 9.315 -11.871 0.000) 15.089 8.078 ( 8.474 9.277 0.000) 12.565 8.424 ( 0.480 -0.247 0.000) 0.540 8.515 ( 8.360 14.739 0.000) 16.944 8.764 ( 1.899 9.467 0.000) 9.656 8.820 ( -3.705 -1.873 0.000) 4.152 8.997 ( -4.799 -10.984 0.000) 11.986 9.078 ( 7.864 -1.593 0.000) 8.024 9.220 ( 0.281 -8.730 0.000) 8.735 9.323 ( 4.393 6.592 0.000) 7.922 9.420 ( -5.056 3.669 0.000) 6.247 9.535 ( -0.404 10.744 0.000) 10.752 9.693 ( 1.716 -4.903 0.000) 5.195 9.953 ( 9.756 1.011 0.000) 9.809 10.340 ( 2.376 -0.867 0.000) 2.529 10.510 ( 6.837 2.240 0.000) 7.195 10.526 ( 6.261 -22.211 0.000) 23.077 10.800 ( 8.787 1.647 0.000) 8.941 10.809 ( -0.265 -1.383 0.000) 1.408 11.012 ( -1.286 6.306 0.000) 6.436 11.252 ( -0.840 -0.309 0.000) 0.895 11.270 ( 7.274 2.498 0.000) 7.691 11.446 ( -6.436 2.505 0.000) 6.906 11.769 ( 6.777 -1.239 0.000) 6.889 12.146 ( -0.999 2.696 0.000) 2.875 12.182 ( -1.934 10.630 0.000) 10.804 12.386 ( 1.088 2.003 0.000) 2.279 12.606 ( -5.348 -8.673 0.000) 10.189 12.610 ( -12.777 -6.062 0.000) 14.142 12.812 ( -0.819 -12.531 0.000) 12.558 12.843 ( 2.902 -3.833 0.000) 4.808 13.134 ( 2.127 9.753 0.000) 9.982 13.219 ( -6.108 7.230 0.000) 9.465 13.522 ( -4.002 7.777 0.000) 8.746 13.541 ( -4.087 2.252 0.000) 4.666 13.785 ( -20.644 0.403 0.000) 20.648 14.399 ( -24.135 -7.679 0.000) 25.328 14.441 ( -5.688 11.633 0.000) 12.949 14.666 ( -19.603 5.859 0.000) 20.460 15.335 ( 4.381 -9.966 0.000) 10.886 15.685 ( -34.620 -9.918 0.000) 36.013 15.702 ( 20.415 9.518 0.000) 22.525 16.306 ( 39.451 -5.066 0.000) 39.775 16.496 ( -34.246 2.668 0.000) 34.350 16.715 ( -17.165 -1.736 0.000) 17.253 16.874 ( -9.808 -4.168 0.000) 10.657 17.070 ( -12.984 2.476 0.000) 13.218 17.190 ( -29.342 -1.954 0.000) 29.407 17.260 ( -8.211 -0.743 0.000) 8.244 17.853 ( 0.194 10.056 0.000) 10.058 18.219 ( -15.715 -0.258 0.000) 15.717 18.300 ( -15.080 -3.047 0.000) 15.385 18.892 ( 1.565 -12.634 0.000) 12.730 19.055 ( 7.733 -1.254 0.000) 7.834 19.177 ( 3.154 9.451 0.000) 9.964 19.194 ( 1.330 1.535 0.000) 2.031 19.260 ( 5.182 2.183 0.000) 5.623 19.306 ( 5.096 2.861 0.000) 5.844 19.534 ( -1.586 1.749 0.000) 2.361 19.555 ( 0.619 2.395 0.000) 2.474 19.686 ( 2.075 0.439 0.000) 2.121 19.893 ( 1.894 -6.067 0.000) 6.356 20.071 ( 0.037 -7.608 0.000) 7.608 20.143 ( 4.389 -7.051 0.000) 8.305 20.222 ( -1.153 -8.583 0.000) 8.661 20.402 ( -3.689 8.726 0.000) 9.474 20.666 ( 4.954 0.967 0.000) 5.047 20.847 ( 4.374 3.405 0.000) 5.543 21.091 ( -3.723 -1.748 0.000) 4.113 21.296 ( -10.228 -1.277 0.000) 10.307 21.312 ( -8.451 -0.408 0.000) 8.461 21.543 ( 0.884 5.638 0.000) 5.707 21.649 ( 4.745 2.534 0.000) 5.380 21.776 ( 0.864 -0.885 0.000) 1.237 21.829 ( -16.763 2.350 0.000) 16.927 21.923 ( 5.999 1.281 0.000) 6.134 21.994 ( -9.301 -2.050 0.000) 9.524 22.066 ( -0.389 -5.646 0.000) 5.660 22.087 ( 3.641 4.468 0.000) 5.764 22.216 ( -2.082 4.348 0.000) 4.821 22.463 ( -7.988 -2.540 0.000) 8.382 22.649 ( 2.187 13.109 0.000) 13.291 22.724 ( -8.889 2.580 0.000) 9.256 22.744 ( -11.977 15.884 0.000) 19.894 22.939 ( -11.507 0.108 0.000) 11.507 22.995 ( 8.635 1.346 0.000) 8.740 23.140 ( -6.341 2.514 0.000) 6.821 23.177 ( -0.890 -0.996 0.000) 1.336 23.284 ( -2.737 -0.519 0.000) 2.786 23.365 ( 8.193 6.597 0.000) 10.519 23.480 ( 3.651 -0.702 0.000) 3.718 23.543 ( -0.413 1.346 0.000) 1.407 23.607 ( 1.503 4.790 0.000) 5.020 23.700 ( 2.371 -0.318 0.000) 2.392 23.721 ( 4.714 -8.101 0.000) 9.373 23.766 ( 14.346 0.817 0.000) 14.369 23.996 ( 5.111 1.952 0.000) 5.472 24.213 ( -16.248 3.136 0.000) 16.548 24.328 ( -12.809 0.488 0.000) 12.818 24.339 ( -4.777 -5.364 0.000) 7.183 24.375 ( -7.357 -0.786 0.000) 7.399 24.471 ( 4.648 0.357 0.000) 4.662 24.536 ( 5.471 -1.658 0.000) 5.716 24.571 ( -6.285 -0.436 0.000) 6.300 24.610 ( -4.619 0.386 0.000) 4.635 24.661 ( 2.768 0.162 0.000) 2.773 24.702 ( 3.298 -1.685 0.000) 3.704 24.804 ( 7.964 -2.805 0.000) 8.443 24.931 ( 6.818 3.927 0.000) 7.868 25.112 ( 6.693 -4.956 0.000) 8.328 25.205 ( 10.809 -2.881 0.000) 11.187 25.261 ( 8.847 -2.412 0.000) 9.170 25.385 ( 8.163 -6.810 0.000) 10.631 25.750 ( -2.126 11.095 0.000) 11.297 26.360 ( -10.737 -5.339 0.000) 11.991 26.978 ( -6.711 2.149 0.000) 7.047 27.191 ( -4.989 7.971 0.000) 9.404 27.498 ( 4.842 -13.594 0.000) 14.431 27.779 ( -16.440 -7.208 0.000) 17.951 28.821 ( -11.719 0.477 0.000) 11.729 28.828 ( -10.808 0.585 0.000) 10.824 28.911 ( -9.836 -0.329 0.000) 9.841 28.937 ( -9.310 -0.414 0.000) 9.319 29.580 ( 7.708 1.160 0.000) 7.795 29.699 ( 18.362 -4.118 0.000) 18.818 30.052 ( 10.332 2.004 0.000) 10.525 30.455 ( 16.417 -9.869 0.000) 19.155 30.592 ( 10.096 7.970 0.000) 12.863 31.036 ( 6.944 11.877 0.000) 13.758 31.040 ( -0.329 -2.976 0.000) 2.994 31.647 ( 6.520 -5.321 0.000) 8.416 35.063 ( -1.292 1.989 0.000) 2.372 35.338 ( -3.439 6.219 0.000) 7.107 35.364 ( -2.836 -4.409 0.000) 5.242 35.447 ( -2.990 9.894 0.000) 10.336 35.562 ( -18.647 17.325 0.000) 25.453 35.789 ( -5.290 3.026 0.000) 6.094 36.075 ( -3.766 -5.727 0.000) 6.854 36.141 ( -10.244 -10.215 0.000) 14.467 39.011 ( 6.151 -1.177 0.000) 6.263 39.094 ( 6.109 -3.012 0.000) 6.811 39.285 ( 24.491 1.845 0.000) 24.561 39.475 ( 10.121 3.838 0.000) 10.824 39.478 ( 7.315 4.729 0.000) 8.711 39.729 ( 4.839 -2.726 0.000) 5.554 39.764 ( 11.455 -2.318 0.000) 11.687 40.194 ( 12.344 0.360 0.000) 12.349 40.298 ( 11.841 -2.049 0.000) 12.017 40.451 ( 56.933 -56.510 0.000) 80.217 41.090 ( 1.287 2.451 0.000) 2.768 41.103 ( 4.366 1.210 0.000) 4.531 41.200 ( 9.310 0.347 0.000) 9.316 41.221 ( 6.018 -3.274 0.000) 6.852 42.516 ( -11.309 4.198 0.000) 12.063 42.872 ( -10.984 -2.195 0.000) 11.201 96.930 ( 11.428 0.141 0.000) 11.429 96.943 ( 12.385 0.152 0.000) 12.386 96.970 ( 13.819 0.390 0.000) 13.824 97.371 ( 28.633 -22.461 0.000) 36.392 100.197 ( -3.712 -0.015 0.000) 3.712 100.215 ( -4.338 -0.816 0.000) 4.414 100.336 ( -5.217 3.305 0.000) 6.175 100.627 ( -7.809 -3.737 0.000) 8.657 ======================= Grid point 13 (9/54) ======================= q-point: ( 0.18 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 40.530 22.055 0.000) 46.142 2.468 ( 47.130 20.372 0.000) 51.344 3.777 ( 13.914 0.810 0.000) 13.938 3.894 ( 14.219 -4.564 0.000) 14.933 4.164 ( 16.670 -10.614 0.000) 19.763 4.227 ( 13.334 6.599 0.000) 14.877 4.353 ( 34.207 0.233 0.000) 34.208 4.474 ( 54.263 8.157 0.000) 54.873 4.632 ( -1.480 12.242 0.000) 12.331 4.690 ( 9.750 -6.064 0.000) 11.482 4.796 ( 6.140 -2.897 0.000) 6.789 5.050 ( 25.388 4.785 0.000) 25.835 5.215 ( 7.824 6.088 0.000) 9.913 5.317 ( 18.678 -7.268 0.000) 20.042 5.397 ( 23.467 6.790 0.000) 24.430 5.761 ( 6.536 9.338 0.000) 11.398 5.898 ( 45.606 -11.607 0.000) 47.060 5.954 ( 14.378 0.781 0.000) 14.400 6.246 ( 25.409 -18.636 0.000) 31.510 6.520 ( 13.961 -3.959 0.000) 14.511 6.595 ( 21.474 19.352 0.000) 28.908 6.751 ( -2.317 -12.455 0.000) 12.669 7.104 ( 28.603 4.127 0.000) 28.900 7.216 ( -5.393 8.073 0.000) 9.708 7.282 ( 31.380 9.545 0.000) 32.799 7.448 ( 22.468 -19.284 0.000) 29.609 7.636 ( 10.464 -27.604 0.000) 29.521 7.936 ( 5.157 -8.031 0.000) 9.545 8.069 ( 6.122 -5.162 0.000) 8.008 8.129 ( -4.514 -1.426 0.000) 4.734 8.294 ( 11.192 -15.752 0.000) 19.323 8.448 ( 5.169 5.598 0.000) 7.619 8.625 ( -0.501 -1.250 0.000) 1.347 8.764 ( -5.370 -2.324 0.000) 5.852 8.915 ( 13.004 12.677 0.000) 18.161 8.937 ( 4.798 2.517 0.000) 5.419 9.194 ( 0.087 9.580 0.000) 9.580 9.342 ( 14.758 6.965 0.000) 16.319 9.406 ( 4.540 7.871 0.000) 9.086 9.431 ( 4.701 1.928 0.000) 5.081 9.561 ( 3.753 12.102 0.000) 12.671 9.796 ( 8.508 -6.868 0.000) 10.934 10.057 ( 7.100 8.764 0.000) 11.279 10.490 ( 4.756 -14.237 0.000) 15.010 10.698 ( 8.752 -0.146 0.000) 8.753 10.710 ( 12.057 -19.503 0.000) 22.929 10.786 ( 0.003 2.166 0.000) 2.166 10.937 ( -1.093 -0.866 0.000) 1.394 11.091 ( 15.861 3.157 0.000) 16.173 11.282 ( 5.699 -0.132 0.000) 5.700 11.348 ( -2.079 0.806 0.000) 2.230 11.521 ( 15.583 1.576 0.000) 15.663 11.858 ( 1.217 1.509 0.000) 1.939 12.126 ( -0.545 1.545 0.000) 1.638 12.128 ( -4.420 4.609 0.000) 6.386 12.317 ( -14.614 -5.201 0.000) 15.511 12.395 ( -1.018 5.548 0.000) 5.641 12.514 ( -3.969 -7.942 0.000) 8.879 12.747 ( -4.500 -10.902 0.000) 11.795 12.815 ( -5.628 -2.698 0.000) 6.241 12.994 ( -19.374 5.453 0.000) 20.127 13.202 ( 1.888 13.574 0.000) 13.705 13.346 ( -14.267 5.212 0.000) 15.189 13.354 ( -12.040 4.149 0.000) 12.735 13.453 ( -7.192 2.714 0.000) 7.687 14.072 ( -7.149 -4.901 0.000) 8.668 14.250 ( -16.985 9.839 0.000) 19.629 14.331 ( -5.006 0.815 0.000) 5.071 14.901 ( -37.112 -6.377 0.000) 37.655 15.213 ( -9.041 -11.647 0.000) 14.744 15.622 ( -47.740 3.672 0.000) 47.881 16.180 ( -36.849 -5.770 0.000) 37.298 16.264 ( -33.995 3.290 0.000) 34.154 16.364 ( 35.309 11.445 0.000) 37.118 16.637 ( -25.361 1.546 0.000) 25.408 16.793 ( -15.087 -7.439 0.000) 16.821 16.900 ( -5.704 -6.567 0.000) 8.699 17.168 ( 11.105 -0.096 0.000) 11.106 17.777 ( -28.857 -0.071 0.000) 28.857 17.878 ( 0.230 12.222 0.000) 12.224 17.907 ( -11.401 -2.531 0.000) 11.678 18.899 ( -1.814 -12.176 0.000) 12.311 19.143 ( 0.518 -1.571 0.000) 1.654 19.198 ( -1.321 6.189 0.000) 6.329 19.221 ( 1.762 3.688 0.000) 4.087 19.298 ( -1.432 3.615 0.000) 3.888 19.473 ( 7.860 -0.491 0.000) 7.876 19.500 ( -0.943 -1.085 0.000) 1.438 19.603 ( 2.488 4.445 0.000) 5.094 19.740 ( 3.307 1.465 0.000) 3.617 19.923 ( 0.294 -5.829 0.000) 5.837 20.065 ( -1.772 -7.852 0.000) 8.049 20.180 ( -3.461 -8.768 0.000) 9.427 20.243 ( 1.894 -2.863 0.000) 3.433 20.340 ( 0.591 3.516 0.000) 3.565 20.768 ( 3.806 -3.247 0.000) 5.003 20.932 ( 1.956 2.234 0.000) 2.969 20.972 ( -5.306 1.913 0.000) 5.640 21.110 ( -6.459 -0.276 0.000) 6.465 21.160 ( -6.664 -0.160 0.000) 6.666 21.455 ( -17.370 4.166 0.000) 17.863 21.522 ( -4.507 3.609 0.000) 5.774 21.707 ( -18.848 -1.914 0.000) 18.945 21.875 ( 11.588 1.747 0.000) 11.718 21.928 ( 15.931 2.414 0.000) 16.113 21.987 ( -11.432 -5.606 0.000) 12.733 22.061 ( 8.449 -0.503 0.000) 8.464 22.163 ( -1.806 1.227 0.000) 2.183 22.208 ( 9.000 5.314 0.000) 10.452 22.246 ( -7.937 0.812 0.000) 7.979 22.502 ( -6.048 15.071 0.000) 16.240 22.521 ( -10.320 2.631 0.000) 10.650 22.722 ( -9.034 0.651 0.000) 9.058 22.765 ( 6.618 2.019 0.000) 6.919 22.956 ( -8.228 5.269 0.000) 9.770 23.074 ( -2.681 -5.139 0.000) 5.796 23.147 ( -2.831 -2.753 0.000) 3.949 23.314 ( -9.004 4.231 0.000) 9.948 23.350 ( 6.599 5.054 0.000) 8.312 23.396 ( -7.827 3.024 0.000) 8.391 23.517 ( -7.083 -1.039 0.000) 7.158 23.570 ( -2.946 6.765 0.000) 7.379 23.601 ( -12.898 -10.935 0.000) 16.909 23.857 ( -11.132 2.665 0.000) 11.446 23.876 ( 4.015 -0.090 0.000) 4.016 23.925 ( -7.843 4.042 0.000) 8.823 24.020 ( -7.687 6.655 0.000) 10.168 24.205 ( 5.568 1.972 0.000) 5.908 24.263 ( -3.495 -14.191 0.000) 14.615 24.266 ( 5.900 -2.898 0.000) 6.573 24.525 ( 4.606 4.409 0.000) 6.376 24.552 ( 3.393 -1.858 0.000) 3.869 24.649 ( 9.170 -5.893 0.000) 10.900 24.721 ( 2.845 3.461 0.000) 4.480 24.810 ( 13.549 0.484 0.000) 13.557 24.849 ( 10.885 1.773 0.000) 11.029 24.952 ( 7.933 -3.399 0.000) 8.631 25.156 ( -1.502 -1.945 0.000) 2.457 25.263 ( 18.911 -0.527 0.000) 18.918 25.432 ( 7.072 -2.552 0.000) 7.518 25.471 ( 13.614 -0.273 0.000) 13.617 25.549 ( 7.673 -2.260 0.000) 7.999 25.733 ( 1.400 5.654 0.000) 5.824 26.118 ( -10.960 -3.519 0.000) 11.511 26.857 ( -4.088 2.835 0.000) 4.975 27.061 ( -7.061 4.290 0.000) 8.262 27.418 ( -8.987 -7.240 0.000) 11.541 27.480 ( -12.770 -4.144 0.000) 13.425 28.509 ( -18.620 0.368 0.000) 18.624 28.535 ( -17.372 0.910 0.000) 17.396 28.612 ( -18.724 -1.238 0.000) 18.765 28.655 ( -17.567 -0.286 0.000) 17.569 29.827 ( 16.286 1.650 0.000) 16.370 30.201 ( 28.128 -10.509 0.000) 30.027 30.319 ( 14.384 3.424 0.000) 14.786 30.831 ( 18.046 -10.249 0.000) 20.753 30.868 ( 15.647 3.413 0.000) 16.015 31.031 ( -0.357 -0.926 0.000) 0.993 31.237 ( 12.135 9.853 0.000) 15.632 31.788 ( 6.259 -5.399 0.000) 8.266 35.038 ( -1.124 1.045 0.000) 1.535 35.247 ( -5.118 5.370 0.000) 7.418 35.291 ( -4.027 1.994 0.000) 4.494 35.363 ( -5.032 9.810 0.000) 11.026 35.367 ( -4.151 4.809 0.000) 6.353 35.686 ( -4.076 -0.345 0.000) 4.091 35.881 ( -12.309 -7.956 0.000) 14.657 35.988 ( -5.886 -5.168 0.000) 7.833 39.188 ( 10.835 -0.117 0.000) 10.836 39.276 ( 11.550 -2.242 0.000) 11.766 39.657 ( 9.189 5.006 0.000) 10.464 39.710 ( 11.649 1.302 0.000) 11.721 39.834 ( 6.470 -1.391 0.000) 6.618 39.896 ( 30.264 7.171 0.000) 31.102 40.026 ( 12.086 -3.681 0.000) 12.634 40.537 ( 19.761 -1.068 0.000) 19.790 40.622 ( 19.050 -2.692 0.000) 19.239 40.951 ( 4.517 -11.606 0.000) 12.454 41.153 ( 5.410 5.523 0.000) 7.732 41.210 ( 6.745 0.299 0.000) 6.751 41.459 ( 15.041 -1.928 0.000) 15.164 41.464 ( 13.855 -16.798 0.000) 21.775 42.215 ( -17.138 4.609 0.000) 17.747 42.668 ( -8.415 -5.439 0.000) 10.020 97.255 ( 19.662 0.494 0.000) 19.668 97.293 ( 20.710 1.601 0.000) 20.772 97.345 ( 21.678 -0.064 0.000) 21.678 97.820 ( 18.051 -13.221 0.000) 22.375 100.080 ( -8.293 -0.354 0.000) 8.301 100.084 ( -7.787 -0.279 0.000) 7.792 100.178 ( -10.022 2.658 0.000) 10.368 100.405 ( -13.388 -2.763 0.000) 13.671 ======================= Grid point 14 (10/54) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( 32.910 12.434 0.000) 35.181 3.411 ( 43.415 13.444 0.000) 45.449 4.054 ( 12.398 -0.399 0.000) 12.405 4.172 ( 12.898 -9.053 0.000) 15.758 4.395 ( 8.554 -3.256 0.000) 9.153 4.538 ( 15.440 7.884 0.000) 17.336 4.576 ( 2.500 13.293 0.000) 13.526 4.701 ( 2.117 -3.974 0.000) 4.503 4.883 ( -0.024 1.038 0.000) 1.038 5.076 ( 32.438 -0.115 0.000) 32.439 5.222 ( 5.123 2.976 0.000) 5.925 5.380 ( 8.889 2.983 0.000) 9.376 5.416 ( 23.450 10.101 0.000) 25.533 5.550 ( 6.992 11.370 0.000) 13.348 5.764 ( 11.759 -2.454 0.000) 12.012 6.022 ( 3.199 -2.237 0.000) 3.904 6.227 ( 23.774 1.491 0.000) 23.821 6.526 ( 11.482 2.028 0.000) 11.660 6.745 ( 3.695 1.252 0.000) 3.901 6.826 ( 10.157 -8.511 0.000) 13.252 6.971 ( 25.860 -17.724 0.000) 31.351 7.196 ( 34.988 4.287 0.000) 35.249 7.264 ( 13.996 0.860 0.000) 14.022 7.682 ( 6.538 2.389 0.000) 6.961 7.774 ( 30.146 -7.636 0.000) 31.098 7.857 ( 12.780 -7.744 0.000) 14.943 8.022 ( 10.978 -18.492 0.000) 21.505 8.069 ( 3.387 -3.053 0.000) 4.560 8.229 ( 10.063 -25.205 0.000) 27.140 8.236 ( 25.174 -4.969 0.000) 25.660 8.427 ( 15.024 0.698 0.000) 15.040 8.553 ( -2.806 -5.012 0.000) 5.744 8.626 ( -3.624 -1.080 0.000) 3.782 8.764 ( 21.334 2.602 0.000) 21.492 9.069 ( 1.539 6.876 0.000) 7.046 9.304 ( 5.947 19.252 0.000) 20.150 9.307 ( 31.413 0.671 0.000) 31.420 9.495 ( 0.817 -1.662 0.000) 1.852 9.581 ( 15.807 6.571 0.000) 17.118 9.645 ( 16.287 14.346 0.000) 21.704 9.725 ( 13.481 11.461 0.000) 17.695 10.031 ( 13.876 -4.774 0.000) 14.674 10.310 ( 8.458 -5.108 0.000) 9.881 10.463 ( -2.296 -6.467 0.000) 6.862 10.709 ( -1.004 -3.074 0.000) 3.234 10.879 ( 4.196 11.928 0.000) 12.644 10.948 ( 8.445 -1.371 0.000) 8.555 11.063 ( 16.331 -15.532 0.000) 22.537 11.311 ( -3.470 2.666 0.000) 4.376 11.465 ( 14.586 -6.461 0.000) 15.953 11.551 ( 20.729 2.949 0.000) 20.938 11.680 ( -5.459 12.773 0.000) 13.890 11.843 ( -9.427 -5.067 0.000) 10.702 12.006 ( -9.107 -1.846 0.000) 9.292 12.124 ( -0.149 -0.581 0.000) 0.600 12.153 ( 9.252 0.339 0.000) 9.259 12.320 ( -6.616 7.672 0.000) 10.131 12.402 ( -8.462 -4.451 0.000) 9.561 12.504 ( -20.637 -5.678 0.000) 21.404 12.652 ( -8.090 -3.736 0.000) 8.911 12.665 ( -2.847 -4.008 0.000) 4.917 12.883 ( -21.061 10.363 0.000) 23.473 13.179 ( -2.353 -7.311 0.000) 7.680 13.262 ( -3.868 11.081 0.000) 11.736 13.458 ( 5.727 18.489 0.000) 19.355 13.898 ( -7.970 0.647 0.000) 7.996 14.068 ( -18.001 -8.865 0.000) 20.066 14.186 ( 7.368 4.238 0.000) 8.500 14.343 ( -29.142 -11.537 0.000) 31.342 14.773 ( -21.040 10.176 0.000) 23.371 15.081 ( -2.810 -9.582 0.000) 9.985 15.332 ( -37.037 -3.208 0.000) 37.176 15.785 ( -16.482 6.741 0.000) 17.807 16.034 ( -29.100 -0.762 0.000) 29.110 16.417 ( -32.410 -11.194 0.000) 34.288 16.432 ( -18.564 -9.524 0.000) 20.864 16.919 ( -14.351 9.602 0.000) 17.267 16.999 ( -23.165 12.043 0.000) 26.109 17.225 ( 10.452 2.660 0.000) 10.785 17.780 ( -11.866 11.765 0.000) 16.710 18.288 ( 34.211 -13.317 0.000) 36.711 18.744 ( -15.347 -12.421 0.000) 19.743 19.125 ( -1.534 -1.532 0.000) 2.168 19.151 ( -3.359 4.091 0.000) 5.293 19.189 ( -9.360 5.901 0.000) 11.065 19.229 ( -4.767 2.474 0.000) 5.371 19.419 ( -8.619 -0.414 0.000) 8.629 19.480 ( -6.525 -2.553 0.000) 7.007 19.666 ( 4.107 1.116 0.000) 4.256 19.793 ( 0.369 0.258 0.000) 0.451 19.946 ( 3.817 0.162 0.000) 3.820 19.992 ( -3.385 -3.266 0.000) 4.704 20.099 ( -3.526 -8.454 0.000) 9.160 20.198 ( -3.284 3.910 0.000) 5.106 20.407 ( 0.834 -7.309 0.000) 7.356 20.770 ( -4.629 -5.435 0.000) 7.139 20.886 ( -2.797 2.385 0.000) 3.675 20.916 ( -3.361 0.740 0.000) 3.442 21.037 ( -2.017 1.542 0.000) 2.539 21.058 ( -0.901 1.875 0.000) 2.080 21.152 ( -10.697 2.001 0.000) 10.883 21.280 ( -17.999 -0.593 0.000) 18.009 21.418 ( -5.410 2.099 0.000) 5.803 21.673 ( -14.274 -4.543 0.000) 14.980 22.084 ( 9.036 6.223 0.000) 10.971 22.104 ( -2.757 1.163 0.000) 2.992 22.198 ( -1.526 -1.257 0.000) 1.977 22.207 ( 3.296 2.213 0.000) 3.970 22.331 ( -7.013 4.825 0.000) 8.512 22.342 ( 21.803 3.596 0.000) 22.097 22.474 ( 3.675 5.811 0.000) 6.875 22.509 ( 19.159 0.832 0.000) 19.177 22.546 ( -8.127 0.562 0.000) 8.146 22.868 ( -1.523 3.586 0.000) 3.896 22.925 ( -1.680 -2.909 0.000) 3.359 23.027 ( 6.095 -5.402 0.000) 8.145 23.031 ( -8.090 0.431 0.000) 8.101 23.174 ( -5.134 1.982 0.000) 5.503 23.249 ( -4.213 1.658 0.000) 4.527 23.277 ( -13.405 -5.171 0.000) 14.368 23.364 ( -9.941 2.947 0.000) 10.369 23.396 ( -5.503 -0.651 0.000) 5.541 23.467 ( 1.895 0.434 0.000) 1.945 23.636 ( -5.399 0.889 0.000) 5.472 23.707 ( -13.848 2.031 0.000) 13.996 23.903 ( -0.485 5.735 0.000) 5.755 23.916 ( 1.528 8.907 0.000) 9.037 24.073 ( -9.973 -10.669 0.000) 14.605 24.380 ( 0.161 -3.070 0.000) 3.074 24.442 ( 9.657 -1.406 0.000) 9.759 24.677 ( 8.986 -1.713 0.000) 9.148 24.684 ( 8.629 3.803 0.000) 9.430 24.769 ( 2.207 5.013 0.000) 5.477 24.836 ( 7.985 -5.813 0.000) 9.877 25.057 ( 9.861 2.274 0.000) 10.119 25.070 ( 0.580 -1.067 0.000) 1.215 25.089 ( 10.152 2.834 0.000) 10.541 25.197 ( 9.328 -0.584 0.000) 9.346 25.527 ( 2.348 -3.069 0.000) 3.864 25.540 ( 7.323 -0.483 0.000) 7.339 25.703 ( 7.031 -0.806 0.000) 7.077 25.732 ( 11.024 -0.506 0.000) 11.035 25.806 ( 4.125 0.553 0.000) 4.162 25.965 ( -3.094 -0.821 0.000) 3.201 26.799 ( -3.251 -1.653 0.000) 3.648 26.943 ( -2.622 2.209 0.000) 3.429 27.234 ( -10.196 -0.374 0.000) 10.203 27.262 ( -5.470 -2.715 0.000) 6.106 28.064 ( -24.189 0.449 0.000) 24.193 28.121 ( -22.949 -0.327 0.000) 22.952 28.175 ( -22.742 -0.087 0.000) 22.742 28.233 ( -23.174 -0.397 0.000) 23.177 30.225 ( 21.528 3.139 0.000) 21.756 30.604 ( 12.808 4.948 0.000) 13.731 30.772 ( 26.168 -10.820 0.000) 28.317 31.020 ( 0.052 1.828 0.000) 1.829 31.131 ( 10.636 -4.154 0.000) 11.418 31.207 ( 15.947 -2.189 0.000) 16.097 31.505 ( 12.739 0.638 0.000) 12.755 31.882 ( 2.598 -5.163 0.000) 5.780 35.013 ( -1.351 0.907 0.000) 1.627 35.143 ( -4.602 5.057 0.000) 6.837 35.209 ( -3.888 5.912 0.000) 7.076 35.248 ( -6.012 9.439 0.000) 11.191 35.335 ( 0.645 -0.574 0.000) 0.863 35.626 ( -1.936 -1.882 0.000) 2.700 35.667 ( -7.869 -5.941 0.000) 9.860 35.858 ( -6.593 -5.011 0.000) 8.281 39.444 ( 13.831 0.893 0.000) 13.860 39.560 ( 15.726 -2.162 0.000) 15.874 39.830 ( 7.463 4.615 0.000) 8.774 39.912 ( 7.808 -0.527 0.000) 7.826 39.922 ( 3.362 -0.774 0.000) 3.450 40.207 ( 5.254 -4.494 0.000) 6.914 40.510 ( 26.688 8.876 0.000) 28.126 40.902 ( -6.840 2.690 0.000) 7.350 40.939 ( 18.412 -1.726 0.000) 18.493 41.060 ( 22.687 -2.741 0.000) 22.852 41.321 ( 10.473 8.177 0.000) 13.288 41.360 ( 4.960 -4.901 0.000) 6.973 41.710 ( 8.730 -13.792 0.000) 16.322 41.773 ( 14.567 -3.640 0.000) 15.015 41.873 ( -12.015 8.635 0.000) 14.796 42.520 ( -6.574 -6.866 0.000) 9.506 97.710 ( 24.000 0.714 0.000) 24.010 97.758 ( 23.971 2.670 0.000) 24.119 97.825 ( 24.421 -0.811 0.000) 24.434 98.180 ( 17.725 -6.961 0.000) 19.043 99.860 ( -12.848 0.103 0.000) 12.848 99.893 ( -11.104 -0.470 0.000) 11.114 99.928 ( -14.239 1.915 0.000) 14.367 100.091 ( -16.959 -1.896 0.000) 17.064 ======================= Grid point 15 (11/54) ======================= q-point: ( 0.36 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.810 ( 24.425 5.933 0.000) 25.135 4.123 ( 18.179 14.187 0.000) 23.060 4.342 ( 22.122 -1.427 0.000) 22.168 4.409 ( 9.690 -8.786 0.000) 13.080 4.455 ( 0.923 -0.204 0.000) 0.946 4.734 ( -3.708 3.397 0.000) 5.029 4.761 ( 4.099 -2.669 0.000) 4.891 4.805 ( 13.762 8.758 0.000) 16.312 4.864 ( 6.483 8.353 0.000) 10.574 5.304 ( 6.576 2.290 0.000) 6.963 5.416 ( -0.038 -0.396 0.000) 0.398 5.612 ( 13.156 9.108 0.000) 16.002 5.766 ( 10.804 13.745 0.000) 17.483 5.814 ( 10.411 2.326 0.000) 10.668 5.957 ( 8.104 -4.160 0.000) 9.110 6.070 ( 13.601 5.378 0.000) 14.625 6.477 ( -2.404 5.454 0.000) 5.960 6.591 ( -2.340 8.778 0.000) 9.085 6.669 ( -10.260 8.241 0.000) 13.160 7.250 ( -0.476 -19.912 0.000) 19.918 7.301 ( 34.890 -7.417 0.000) 35.669 7.476 ( 1.697 -9.770 0.000) 9.917 7.670 ( 20.546 -16.395 0.000) 26.286 7.875 ( 11.210 -4.870 0.000) 12.222 8.016 ( 2.036 -22.011 0.000) 22.105 8.163 ( 9.678 -13.200 0.000) 16.368 8.247 ( -5.286 -20.544 0.000) 21.214 8.351 ( 24.839 5.703 0.000) 25.485 8.360 ( 4.247 0.768 0.000) 4.316 8.390 ( 20.403 -8.704 0.000) 22.182 8.616 ( 5.559 -4.840 0.000) 7.371 8.719 ( 11.112 6.191 0.000) 12.721 8.808 ( 7.656 9.939 0.000) 12.546 9.094 ( 2.036 1.703 0.000) 2.654 9.203 ( 13.687 5.825 0.000) 14.875 9.365 ( 2.539 9.980 0.000) 10.298 9.451 ( -2.428 -3.126 0.000) 3.958 9.948 ( 20.929 1.053 0.000) 20.955 9.976 ( 10.784 10.498 0.000) 15.050 10.053 ( 24.887 1.086 0.000) 24.910 10.200 ( -5.757 -10.083 0.000) 11.611 10.211 ( 25.197 9.065 0.000) 26.778 10.320 ( 13.475 2.814 0.000) 13.766 10.546 ( 4.816 3.609 0.000) 6.018 10.733 ( 1.991 -9.451 0.000) 9.659 11.018 ( 3.198 7.956 0.000) 8.575 11.078 ( 2.978 1.787 0.000) 3.473 11.119 ( -8.113 6.786 0.000) 10.577 11.345 ( 2.549 0.141 0.000) 2.553 11.486 ( -11.927 8.736 0.000) 14.784 11.543 ( -5.469 1.943 0.000) 5.804 11.667 ( -5.308 -0.070 0.000) 5.309 11.784 ( -6.319 -5.876 0.000) 8.629 11.818 ( -2.251 3.386 0.000) 4.066 11.995 ( -7.291 1.807 0.000) 7.512 12.052 ( -12.240 -2.452 0.000) 12.483 12.199 ( 0.146 -1.090 0.000) 1.100 12.292 ( 4.428 4.972 0.000) 6.658 12.560 ( 3.082 -11.054 0.000) 11.475 12.564 ( 3.455 5.689 0.000) 6.656 12.648 ( -2.473 -7.610 0.000) 8.002 12.865 ( 25.786 -3.229 0.000) 25.988 13.156 ( -1.049 4.074 0.000) 4.207 13.209 ( 1.222 -3.908 0.000) 4.094 13.558 ( -29.034 -7.240 0.000) 29.923 13.600 ( 5.133 12.951 0.000) 13.931 13.836 ( 2.566 4.959 0.000) 5.584 13.892 ( -7.177 -13.889 0.000) 15.634 14.419 ( 13.319 1.034 0.000) 13.359 14.655 ( -3.884 7.722 0.000) 8.643 14.804 ( -9.602 8.975 0.000) 13.143 14.970 ( -14.004 -0.120 0.000) 14.005 15.517 ( -14.283 1.806 0.000) 14.397 15.632 ( -12.239 -6.852 0.000) 14.026 15.783 ( -13.880 -8.138 0.000) 16.089 16.180 ( -1.217 -10.382 0.000) 10.453 16.377 ( -26.408 6.778 0.000) 27.264 16.470 ( -17.745 5.144 0.000) 18.475 17.325 ( -32.544 10.898 0.000) 34.321 17.778 ( 26.675 8.604 0.000) 28.028 18.200 ( -38.636 -11.607 0.000) 40.341 18.786 ( -26.012 7.812 0.000) 27.160 18.906 ( -4.412 -5.350 0.000) 6.934 18.952 ( 6.939 -8.731 0.000) 11.153 18.966 ( -13.136 5.939 0.000) 14.416 19.149 ( -0.221 -3.602 0.000) 3.609 19.290 ( 2.715 -1.684 0.000) 3.194 19.466 ( 3.726 -2.984 0.000) 4.774 19.695 ( -1.501 -0.101 0.000) 1.504 19.840 ( 7.093 1.522 0.000) 7.254 19.992 ( 1.668 -1.162 0.000) 2.033 20.015 ( 0.174 -1.190 0.000) 1.203 20.040 ( -1.707 -4.500 0.000) 4.813 20.124 ( -3.446 2.014 0.000) 3.992 20.308 ( -8.801 -5.099 0.000) 10.171 20.582 ( -12.361 -1.637 0.000) 12.469 20.829 ( -1.880 0.951 0.000) 2.107 20.887 ( 0.898 -0.477 0.000) 1.017 21.010 ( -4.829 -4.421 0.000) 6.547 21.052 ( -4.937 -3.100 0.000) 5.829 21.054 ( 3.681 1.997 0.000) 4.188 21.103 ( 4.612 3.036 0.000) 5.522 21.343 ( -2.314 2.315 0.000) 3.273 21.488 ( -4.864 -2.516 0.000) 5.476 22.062 ( -1.025 2.374 0.000) 2.585 22.150 ( -0.538 -0.708 0.000) 0.889 22.186 ( 0.848 7.691 0.000) 7.737 22.223 ( -0.711 3.679 0.000) 3.747 22.241 ( -2.994 3.649 0.000) 4.720 22.423 ( -3.132 0.018 0.000) 3.132 22.588 ( 4.532 -4.090 0.000) 6.105 22.734 ( 3.909 4.720 0.000) 6.128 22.808 ( -4.424 0.189 0.000) 4.428 22.816 ( 3.803 -0.903 0.000) 3.909 22.823 ( 7.529 -0.134 0.000) 7.530 22.903 ( -12.774 -4.681 0.000) 13.605 22.906 ( -3.689 0.705 0.000) 3.755 23.020 ( -8.177 2.638 0.000) 8.592 23.120 ( -6.696 4.180 0.000) 7.894 23.169 ( -5.554 -0.402 0.000) 5.568 23.365 ( 6.350 -1.157 0.000) 6.455 23.396 ( 5.786 -0.258 0.000) 5.792 23.437 ( -4.935 -0.249 0.000) 4.941 23.551 ( 3.907 0.962 0.000) 4.024 23.773 ( 13.955 -0.826 0.000) 13.979 23.869 ( -2.260 7.808 0.000) 8.129 23.894 ( -5.654 -9.323 0.000) 10.903 24.114 ( 18.561 4.834 0.000) 19.180 24.299 ( -6.476 -2.185 0.000) 6.835 24.565 ( 4.146 9.296 0.000) 10.179 24.842 ( 6.537 1.583 0.000) 6.726 24.856 ( 6.302 -2.901 0.000) 6.938 24.874 ( 8.726 1.620 0.000) 8.876 24.935 ( 2.154 -3.503 0.000) 4.112 25.104 ( 2.888 -2.886 0.000) 4.083 25.174 ( -0.176 7.184 0.000) 7.186 25.223 ( 3.989 1.010 0.000) 4.115 25.392 ( 8.313 -2.194 0.000) 8.597 25.534 ( -2.434 -3.879 0.000) 4.579 25.621 ( 2.371 1.343 0.000) 2.725 25.804 ( 2.232 -2.391 0.000) 3.271 25.836 ( -1.831 -1.102 0.000) 2.137 25.908 ( 6.870 -1.446 0.000) 7.020 25.989 ( 3.542 0.571 0.000) 3.588 26.715 ( -2.955 0.516 0.000) 3.000 26.949 ( 0.893 -3.821 0.000) 3.924 27.093 ( -2.040 2.952 0.000) 3.589 27.205 ( -0.771 -1.329 0.000) 1.536 27.546 ( -25.313 0.554 0.000) 25.319 27.632 ( -22.770 -1.368 0.000) 22.811 27.717 ( -21.306 0.272 0.000) 21.308 27.730 ( -24.601 0.165 0.000) 24.601 30.666 ( 20.305 4.108 0.000) 20.716 30.827 ( 8.650 5.905 0.000) 10.474 31.025 ( 0.480 4.512 0.000) 4.537 31.239 ( 18.957 -9.118 0.000) 21.035 31.269 ( 2.905 1.418 0.000) 3.233 31.510 ( 13.149 -6.685 0.000) 14.750 31.707 ( 5.949 -7.475 0.000) 9.553 31.893 ( -1.229 -4.621 0.000) 4.781 34.987 ( -0.930 2.070 0.000) 2.269 35.068 ( -2.700 5.524 0.000) 6.149 35.128 ( -5.249 8.123 0.000) 9.671 35.134 ( -3.281 6.836 0.000) 7.583 35.383 ( 3.748 -2.329 0.000) 4.413 35.564 ( -2.364 -4.530 0.000) 5.109 35.598 ( -1.076 -2.611 0.000) 2.825 35.724 ( -6.318 -4.749 0.000) 7.903 39.745 ( 15.236 1.494 0.000) 15.309 39.878 ( 11.535 -1.904 0.000) 11.691 39.973 ( 1.795 0.084 0.000) 1.797 39.988 ( 11.296 3.046 0.000) 11.700 40.043 ( 4.993 -2.108 0.000) 5.419 40.256 ( 0.238 -3.597 0.000) 3.605 40.677 ( -11.124 6.249 0.000) 12.759 40.949 ( 7.542 3.401 0.000) 8.273 41.270 ( 13.086 0.518 0.000) 13.096 41.291 ( -5.722 -3.142 0.000) 6.528 41.487 ( 15.671 -0.874 0.000) 15.695 41.563 ( 14.609 5.003 0.000) 15.442 41.722 ( 2.159 6.331 0.000) 6.689 41.962 ( 8.910 -7.132 0.000) 11.413 42.025 ( 9.521 -4.372 0.000) 10.477 42.380 ( -7.356 -5.386 0.000) 9.117 98.217 ( 24.980 0.760 0.000) 24.991 98.257 ( 24.290 2.757 0.000) 24.446 98.329 ( 24.472 -1.182 0.000) 24.501 98.554 ( 18.656 -3.946 0.000) 19.069 99.555 ( -16.812 0.773 0.000) 16.830 99.596 ( -17.902 1.236 0.000) 17.945 99.631 ( -14.457 -0.830 0.000) 14.481 99.715 ( -19.629 -1.363 0.000) 19.676 ======================= Grid point 16 (12/54) ======================= q-point: ( 0.45 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.217 ( 14.688 1.844 0.000) 14.804 4.325 ( 6.984 9.057 0.000) 11.437 4.424 ( -3.273 2.231 0.000) 3.961 4.498 ( -4.803 1.888 0.000) 5.161 4.638 ( 1.570 0.276 0.000) 1.594 4.684 ( 1.541 -3.162 0.000) 3.518 4.952 ( 15.410 -6.114 0.000) 16.578 4.998 ( 3.842 2.474 0.000) 4.570 5.014 ( 6.863 8.070 0.000) 10.594 5.282 ( -11.549 -0.235 0.000) 11.552 5.553 ( 16.647 4.226 0.000) 17.175 5.794 ( 0.324 8.899 0.000) 8.905 5.867 ( 0.430 7.964 0.000) 7.976 5.884 ( 1.376 16.312 0.000) 16.370 6.125 ( 8.308 0.146 0.000) 8.309 6.294 ( -9.499 7.176 0.000) 11.905 6.481 ( -5.103 12.572 0.000) 13.568 6.496 ( -5.233 12.944 0.000) 13.962 6.539 ( 22.815 0.404 0.000) 22.819 6.979 ( -19.392 -3.311 0.000) 19.673 7.644 ( 10.804 -23.596 0.000) 25.952 7.836 ( -5.511 -22.762 0.000) 23.419 7.950 ( 22.494 -11.705 0.000) 25.357 8.003 ( 2.476 -28.227 0.000) 28.335 8.037 ( 0.281 -29.289 0.000) 29.290 8.223 ( -4.245 -9.865 0.000) 10.739 8.339 ( 15.951 -15.608 0.000) 22.317 8.467 ( 5.888 -0.931 0.000) 5.961 8.716 ( 0.260 13.624 0.000) 13.626 8.760 ( 4.879 1.162 0.000) 5.015 8.795 ( -3.701 8.866 0.000) 9.607 8.819 ( 17.025 -4.661 0.000) 17.651 8.825 ( 4.908 9.677 0.000) 10.851 9.107 ( -5.927 -2.778 0.000) 6.545 9.305 ( 1.374 2.684 0.000) 3.016 9.362 ( 2.070 4.959 0.000) 5.374 9.711 ( 21.519 4.196 0.000) 21.924 9.995 ( 3.148 -4.601 0.000) 5.574 10.111 ( -12.871 0.181 0.000) 12.872 10.212 ( -7.461 -1.876 0.000) 7.693 10.326 ( 9.060 3.618 0.000) 9.756 10.389 ( 2.829 7.200 0.000) 7.736 10.550 ( 9.407 8.664 0.000) 12.789 10.658 ( 4.507 10.086 0.000) 11.048 10.751 ( 3.845 6.702 0.000) 7.726 10.903 ( -6.458 1.863 0.000) 6.721 10.913 ( -9.575 3.749 0.000) 10.283 11.009 ( -20.484 2.165 0.000) 20.598 11.222 ( 2.219 4.752 0.000) 5.244 11.395 ( -14.886 6.139 0.000) 16.102 11.502 ( 12.399 2.295 0.000) 12.610 11.642 ( 9.319 -0.294 0.000) 9.324 11.718 ( -0.264 2.176 0.000) 2.192 11.782 ( 2.851 -3.597 0.000) 4.590 11.859 ( -10.998 9.180 0.000) 14.326 11.983 ( -18.592 -8.233 0.000) 20.333 12.201 ( 19.205 0.169 0.000) 19.205 12.415 ( 2.946 3.933 0.000) 4.914 12.603 ( 1.269 -6.718 0.000) 6.837 12.607 ( -1.379 -5.744 0.000) 5.907 12.846 ( 15.834 1.608 0.000) 15.915 13.117 ( -9.928 -0.468 0.000) 9.939 13.168 ( 3.572 -12.483 0.000) 12.984 13.236 ( 4.326 -12.020 0.000) 12.775 13.471 ( 14.839 -2.348 0.000) 15.024 13.660 ( 0.845 -0.617 0.000) 1.046 13.757 ( -4.189 -13.898 0.000) 14.515 13.842 ( -8.113 2.906 0.000) 8.618 14.528 ( -2.240 11.997 0.000) 12.204 14.548 ( -0.172 9.359 0.000) 9.361 14.735 ( -1.583 6.899 0.000) 7.078 14.881 ( 0.883 20.699 0.000) 20.718 15.201 ( -5.896 -6.829 0.000) 9.022 15.369 ( -7.450 -6.106 0.000) 9.632 15.939 ( 9.659 12.261 0.000) 15.608 16.229 ( 18.103 -12.086 0.000) 21.767 16.315 ( 6.911 -14.261 0.000) 15.847 16.408 ( 17.246 -1.409 0.000) 17.304 16.532 ( -40.535 10.680 0.000) 41.918 17.242 ( -50.325 -7.097 0.000) 50.823 18.221 ( 12.943 5.240 0.000) 13.964 18.344 ( -13.150 9.265 0.000) 16.086 18.506 ( -10.066 11.956 0.000) 15.629 18.680 ( -14.617 9.974 0.000) 17.696 19.128 ( 1.533 -13.859 0.000) 13.943 19.144 ( -0.467 -9.106 0.000) 9.118 19.512 ( 8.869 -12.853 0.000) 15.616 19.549 ( 2.941 -8.810 0.000) 9.288 19.735 ( 6.234 2.927 0.000) 6.887 19.900 ( -8.956 -0.015 0.000) 8.956 20.007 ( 2.339 -3.828 0.000) 4.486 20.017 ( 9.123 2.011 0.000) 9.342 20.073 ( -3.016 -2.756 0.000) 4.085 20.085 ( 5.438 0.882 0.000) 5.509 20.154 ( -5.248 0.301 0.000) 5.256 20.308 ( -13.848 -0.093 0.000) 13.849 20.828 ( 1.988 -0.188 0.000) 1.996 20.907 ( -5.141 -3.082 0.000) 5.994 20.933 ( 2.960 -1.981 0.000) 3.561 20.990 ( -2.442 -3.129 0.000) 3.969 21.169 ( 6.697 1.869 0.000) 6.953 21.230 ( 7.403 2.548 0.000) 7.829 21.287 ( -4.079 2.070 0.000) 4.574 21.382 ( -6.567 0.403 0.000) 6.579 22.085 ( 3.034 2.882 0.000) 4.185 22.156 ( -3.098 4.842 0.000) 5.748 22.175 ( 0.489 2.272 0.000) 2.324 22.196 ( -1.531 3.831 0.000) 4.125 22.265 ( 8.428 -0.444 0.000) 8.440 22.430 ( 3.653 -0.421 0.000) 3.677 22.519 ( -13.705 -2.978 0.000) 14.024 22.550 ( -7.469 -2.805 0.000) 7.978 22.754 ( -0.061 -2.118 0.000) 2.119 22.763 ( -0.154 -1.024 0.000) 1.035 22.822 ( -4.027 -3.244 0.000) 5.171 22.825 ( -4.274 -2.007 0.000) 4.722 22.933 ( -0.034 5.579 0.000) 5.579 22.954 ( 0.309 3.927 0.000) 3.939 23.042 ( -1.208 2.918 0.000) 3.158 23.062 ( -3.202 1.251 0.000) 3.438 23.435 ( 3.290 0.977 0.000) 3.432 23.453 ( 2.345 1.192 0.000) 2.631 23.581 ( 8.006 -3.267 0.000) 8.646 23.644 ( 1.875 -0.262 0.000) 1.893 23.841 ( 0.350 8.171 0.000) 8.178 23.858 ( 0.958 -1.107 0.000) 1.464 23.994 ( 5.977 1.229 0.000) 6.102 24.145 ( -8.212 0.005 0.000) 8.212 24.529 ( 17.876 2.350 0.000) 18.030 24.814 ( -9.113 -1.277 0.000) 9.202 24.814 ( 19.726 2.520 0.000) 19.886 24.966 ( 6.580 -0.244 0.000) 6.585 25.007 ( 1.662 -3.436 0.000) 3.817 25.101 ( -4.485 3.804 0.000) 5.881 25.108 ( 13.454 1.835 0.000) 13.578 25.136 ( 0.555 -0.896 0.000) 1.054 25.211 ( -6.833 1.235 0.000) 6.944 25.409 ( -10.312 -2.412 0.000) 10.590 25.531 ( 4.172 3.100 0.000) 5.197 25.650 ( -10.879 7.586 0.000) 13.262 25.701 ( 7.240 -3.720 0.000) 8.140 25.841 ( -2.789 -7.813 0.000) 8.296 26.022 ( 3.283 -3.921 0.000) 5.114 26.036 ( 0.912 -1.804 0.000) 2.022 26.757 ( 8.605 2.763 0.000) 9.038 26.993 ( 5.675 -2.567 0.000) 6.228 27.068 ( -20.367 1.496 0.000) 20.422 27.136 ( 4.831 1.034 0.000) 4.940 27.220 ( 2.724 -1.028 0.000) 2.911 27.231 ( -16.994 -2.166 0.000) 17.131 27.302 ( -13.386 1.016 0.000) 13.425 27.364 ( -12.275 -0.445 0.000) 12.283 30.956 ( 3.964 5.816 0.000) 7.039 30.979 ( 4.678 3.477 0.000) 5.828 31.072 ( 8.578 7.027 0.000) 11.089 31.248 ( -5.156 4.357 0.000) 6.751 31.549 ( 11.506 -8.576 0.000) 14.350 31.719 ( -4.675 -9.743 0.000) 10.807 31.734 ( 8.379 -8.135 0.000) 11.679 31.849 ( -3.182 -5.931 0.000) 6.731 34.984 ( 0.755 3.998 0.000) 4.068 35.020 ( -2.488 5.796 0.000) 6.307 35.060 ( -0.727 6.774 0.000) 6.813 35.078 ( -2.042 6.986 0.000) 7.278 35.477 ( 5.150 -3.695 0.000) 6.339 35.548 ( -0.065 -4.111 0.000) 4.112 35.577 ( -0.970 -3.011 0.000) 3.164 35.602 ( -5.283 -3.918 0.000) 6.577 39.981 ( 1.940 0.875 0.000) 2.128 39.995 ( 0.355 0.586 0.000) 0.685 40.046 ( 12.497 0.026 0.000) 12.497 40.122 ( 2.496 -3.549 0.000) 4.338 40.244 ( 1.347 -0.296 0.000) 1.379 40.344 ( 18.771 -1.108 0.000) 18.804 40.416 ( -13.230 5.532 0.000) 14.340 40.741 ( -18.649 -2.569 0.000) 18.825 41.392 ( 7.236 5.523 0.000) 9.103 41.442 ( 3.035 3.907 0.000) 4.947 41.683 ( 6.133 4.097 0.000) 7.375 41.753 ( -0.575 4.459 0.000) 4.496 41.899 ( 14.853 -3.517 0.000) 15.264 42.083 ( 0.652 -7.689 0.000) 7.716 42.154 ( 3.087 -4.356 0.000) 5.339 42.218 ( -7.117 -2.735 0.000) 7.625 98.719 ( 23.557 0.945 0.000) 23.576 98.745 ( 23.015 2.066 0.000) 23.108 98.822 ( 23.449 -1.227 0.000) 23.481 98.939 ( 18.561 -2.357 0.000) 18.710 99.172 ( -20.474 1.271 0.000) 20.513 99.196 ( -20.905 1.129 0.000) 20.935 99.287 ( -21.654 -1.266 0.000) 21.691 99.307 ( -17.245 -1.363 0.000) 17.299 ======================= Grid point 22 (13/54) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 0.000 36.235 0.000) 36.235 2.238 ( 0.000 50.140 0.000) 50.140 2.300 ( 0.000 1.322 0.000) 1.322 2.521 ( 0.000 33.122 0.000) 33.122 3.158 ( 0.000 -38.124 0.000) 38.124 3.517 ( 0.000 -46.759 0.000) 46.759 3.782 ( 0.000 24.815 0.000) 24.815 3.940 ( 0.000 21.569 0.000) 21.569 4.166 ( 0.000 0.977 0.000) 0.977 4.309 ( 0.000 -4.780 0.000) 4.780 4.322 ( 0.000 -14.587 0.000) 14.587 4.448 ( 0.000 -17.862 0.000) 17.862 4.513 ( 0.000 -9.868 0.000) 9.868 4.673 ( 0.000 -13.084 0.000) 13.084 5.190 ( 0.000 10.772 0.000) 10.772 5.343 ( 0.000 -1.801 0.000) 1.801 5.580 ( 0.000 33.757 0.000) 33.757 5.639 ( 0.000 5.472 0.000) 5.472 5.789 ( 0.000 -12.058 0.000) 12.058 6.308 ( 0.000 -30.523 0.000) 30.523 6.482 ( 0.000 11.985 0.000) 11.985 6.528 ( 0.000 10.480 0.000) 10.480 6.796 ( 0.000 15.628 0.000) 15.628 6.890 ( 0.000 -0.466 0.000) 0.466 6.953 ( 0.000 -6.733 0.000) 6.733 7.084 ( 0.000 -12.661 0.000) 12.661 7.470 ( 0.000 13.108 0.000) 13.108 7.601 ( 0.000 -4.565 0.000) 4.565 7.690 ( 0.000 -12.021 0.000) 12.021 7.804 ( 0.000 -16.617 0.000) 16.617 8.318 ( 0.000 18.091 0.000) 18.091 8.487 ( 0.000 8.954 0.000) 8.954 8.679 ( 0.000 -15.020 0.000) 15.020 8.752 ( 0.000 -15.224 0.000) 15.224 8.983 ( 0.000 8.160 0.000) 8.160 8.986 ( 0.000 21.157 0.000) 21.157 8.997 ( 0.000 12.513 0.000) 12.513 9.180 ( 0.000 10.496 0.000) 10.496 9.227 ( 0.000 -8.547 0.000) 8.547 9.492 ( 0.000 -4.221 0.000) 4.221 9.504 ( 0.000 -9.686 0.000) 9.686 9.709 ( 0.000 5.478 0.000) 5.478 9.712 ( 0.000 4.046 0.000) 4.046 9.849 ( 0.000 -32.737 0.000) 32.737 10.507 ( 0.000 4.733 0.000) 4.733 10.660 ( 0.000 -9.280 0.000) 9.280 10.689 ( 0.000 9.693 0.000) 9.693 10.736 ( 0.000 3.758 0.000) 3.758 11.125 ( 0.000 3.404 0.000) 3.404 11.213 ( 0.000 -4.795 0.000) 4.795 11.297 ( 0.000 5.435 0.000) 5.435 11.423 ( 0.000 -7.488 0.000) 7.488 11.951 ( 0.000 20.144 0.000) 20.144 12.271 ( 0.000 7.808 0.000) 7.808 12.289 ( 0.000 -8.421 0.000) 8.421 12.382 ( 0.000 -1.053 0.000) 1.053 12.588 ( 0.000 -6.209 0.000) 6.209 12.591 ( 0.000 -5.217 0.000) 5.217 12.636 ( 0.000 -3.008 0.000) 3.008 12.640 ( 0.000 -4.360 0.000) 4.360 13.316 ( 0.000 9.782 0.000) 9.782 13.361 ( 0.000 5.541 0.000) 5.541 13.495 ( 0.000 -7.105 0.000) 7.105 13.518 ( 0.000 -7.763 0.000) 7.763 14.288 ( 0.000 13.215 0.000) 13.215 14.533 ( 0.000 -10.628 0.000) 10.628 14.992 ( 0.000 29.477 0.000) 29.477 15.053 ( 0.000 3.331 0.000) 3.331 15.093 ( 0.000 -0.134 0.000) 0.134 15.579 ( 0.000 -0.296 0.000) 0.296 15.616 ( 0.000 -29.436 0.000) 29.436 15.632 ( 0.000 -5.054 0.000) 5.054 16.804 ( 0.000 3.724 0.000) 3.724 16.892 ( 0.000 -4.490 0.000) 4.490 17.177 ( 0.000 11.881 0.000) 11.881 17.253 ( 0.000 4.238 0.000) 4.238 17.327 ( 0.000 -2.838 0.000) 2.838 17.412 ( 0.000 -10.355 0.000) 10.355 18.111 ( 0.000 17.835 0.000) 17.835 18.379 ( 0.000 -0.657 0.000) 0.657 18.382 ( 0.000 -1.390 0.000) 1.390 18.516 ( 0.000 -19.893 0.000) 19.893 19.005 ( 0.000 3.455 0.000) 3.455 19.078 ( 0.000 -3.582 0.000) 3.582 19.269 ( 0.000 3.165 0.000) 3.165 19.304 ( 0.000 -0.102 0.000) 0.102 19.356 ( 0.000 9.347 0.000) 9.347 19.520 ( 0.000 -7.255 0.000) 7.255 19.664 ( 0.000 8.112 0.000) 8.112 19.729 ( 0.000 11.227 0.000) 11.227 19.834 ( 0.000 2.292 0.000) 2.292 19.858 ( 0.000 -11.100 0.000) 11.100 19.945 ( 0.000 -7.611 0.000) 7.611 20.003 ( 0.000 -13.728 0.000) 13.728 20.591 ( 0.000 5.147 0.000) 5.147 20.645 ( 0.000 -0.096 0.000) 0.096 20.899 ( 0.000 5.918 0.000) 5.918 21.023 ( 0.000 -5.782 0.000) 5.782 21.400 ( 0.000 -0.334 0.000) 0.334 21.405 ( 0.000 -0.906 0.000) 0.906 21.695 ( 0.000 -0.095 0.000) 0.095 21.701 ( 0.000 10.046 0.000) 10.046 21.707 ( 0.000 -1.379 0.000) 1.379 21.910 ( 0.000 -9.660 0.000) 9.660 21.989 ( 0.000 4.621 0.000) 4.621 22.050 ( 0.000 -0.999 0.000) 0.999 22.081 ( 0.000 1.821 0.000) 1.821 22.101 ( 0.000 -0.099 0.000) 0.099 22.303 ( 0.000 3.601 0.000) 3.601 22.397 ( 0.000 -5.379 0.000) 5.379 22.774 ( 0.000 9.482 0.000) 9.482 22.947 ( 0.000 6.478 0.000) 6.478 22.949 ( 0.000 -7.885 0.000) 7.885 23.049 ( 0.000 11.646 0.000) 11.646 23.067 ( 0.000 -4.735 0.000) 4.735 23.173 ( 0.000 1.801 0.000) 1.801 23.212 ( 0.000 -1.768 0.000) 1.768 23.287 ( 0.000 -9.997 0.000) 9.997 23.334 ( 0.000 8.736 0.000) 8.736 23.402 ( 0.000 3.467 0.000) 3.467 23.473 ( 0.000 -3.247 0.000) 3.247 23.530 ( 0.000 8.593 0.000) 8.593 23.536 ( 0.000 -10.301 0.000) 10.301 23.712 ( 0.000 -8.796 0.000) 8.796 23.966 ( 0.000 18.667 0.000) 18.667 24.059 ( 0.000 24.759 0.000) 24.759 24.307 ( 0.000 -12.406 0.000) 12.406 24.376 ( 0.000 3.437 0.000) 3.437 24.445 ( 0.000 -4.071 0.000) 4.071 24.471 ( 0.000 -4.123 0.000) 4.123 24.530 ( 0.000 -0.623 0.000) 0.623 24.552 ( 0.000 2.353 0.000) 2.353 24.553 ( 0.000 -3.598 0.000) 3.598 24.622 ( 0.000 -9.847 0.000) 9.847 24.678 ( 0.000 2.535 0.000) 2.535 24.687 ( 0.000 -4.516 0.000) 4.516 24.696 ( 0.000 -1.105 0.000) 1.105 24.737 ( 0.000 -2.861 0.000) 2.861 24.997 ( 0.000 -0.158 0.000) 0.158 25.001 ( 0.000 -0.483 0.000) 0.483 25.076 ( 0.000 -0.496 0.000) 0.496 25.122 ( 0.000 -4.982 0.000) 4.982 26.059 ( 0.000 13.350 0.000) 13.350 26.309 ( 0.000 -10.718 0.000) 10.718 27.078 ( 0.000 1.460 0.000) 1.460 27.140 ( 0.000 -4.536 0.000) 4.536 27.528 ( 0.000 12.752 0.000) 12.752 27.790 ( 0.000 -12.590 0.000) 12.590 28.948 ( 0.000 0.503 0.000) 0.503 28.960 ( 0.000 -0.695 0.000) 0.695 29.025 ( 0.000 0.543 0.000) 0.543 29.027 ( 0.000 0.299 0.000) 0.299 29.530 ( 0.000 0.953 0.000) 0.953 29.538 ( 0.000 0.352 0.000) 0.352 29.989 ( 0.000 3.628 0.000) 3.628 30.097 ( 0.000 -6.911 0.000) 6.911 30.718 ( 0.000 11.527 0.000) 11.527 30.923 ( 0.000 -8.065 0.000) 8.065 31.207 ( 0.000 11.649 0.000) 11.649 31.422 ( 0.000 -9.127 0.000) 9.127 35.149 ( 0.000 4.578 0.000) 4.578 35.263 ( 0.000 -6.384 0.000) 6.384 35.601 ( 0.000 14.825 0.000) 14.825 35.715 ( 0.000 12.266 0.000) 12.266 35.944 ( 0.000 -17.532 0.000) 17.532 35.950 ( 0.000 -10.161 0.000) 10.161 35.976 ( 0.000 6.077 0.000) 6.077 36.091 ( 0.000 -5.018 0.000) 5.018 38.927 ( 0.000 0.200 0.000) 0.200 38.934 ( 0.000 0.881 0.000) 0.881 38.959 ( 0.000 -2.788 0.000) 2.788 38.962 ( 0.000 -1.892 0.000) 1.892 39.479 ( 0.000 6.071 0.000) 6.071 39.496 ( 0.000 4.834 0.000) 4.834 39.583 ( 0.000 -3.468 0.000) 3.468 39.596 ( 0.000 -5.067 0.000) 5.067 40.091 ( 0.000 1.726 0.000) 1.726 40.131 ( 0.000 -2.107 0.000) 2.107 41.096 ( 0.000 2.208 0.000) 2.208 41.110 ( 0.000 1.274 0.000) 1.274 41.122 ( 0.000 0.308 0.000) 0.308 41.141 ( 0.000 -2.043 0.000) 2.043 42.744 ( 0.000 6.477 0.000) 6.477 42.891 ( 0.000 -7.478 0.000) 7.478 96.811 ( 0.000 0.128 0.000) 0.128 96.814 ( 0.000 -0.122 0.000) 0.122 96.815 ( 0.000 0.303 0.000) 0.303 96.821 ( 0.000 -0.320 0.000) 0.320 100.237 ( 0.000 0.195 0.000) 0.195 100.244 ( 0.000 -0.529 0.000) 0.529 100.482 ( 0.000 5.365 0.000) 5.365 100.601 ( 0.000 -5.954 0.000) 5.954 ======================= Grid point 23 (14/54) ======================= q-point: ( 0.09 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 30.067 38.031 0.000) 48.481 2.489 ( 22.094 43.432 0.000) 48.729 3.006 ( 36.306 -27.800 0.000) 45.727 3.239 ( 73.256 31.675 0.000) 79.810 3.315 ( 12.726 -35.901 0.000) 38.089 3.824 ( 35.881 -24.311 0.000) 43.342 3.894 ( 13.408 20.664 0.000) 24.633 4.073 ( 19.967 19.529 0.000) 27.930 4.204 ( 5.728 -0.793 0.000) 5.783 4.364 ( 6.410 -11.552 0.000) 13.211 4.571 ( 6.388 -2.992 0.000) 7.054 4.610 ( 22.982 -9.875 0.000) 25.013 4.734 ( 26.265 -16.535 0.000) 31.036 4.745 ( 9.171 -12.045 0.000) 15.139 5.290 ( 6.960 13.166 0.000) 14.893 5.476 ( -7.087 32.284 0.000) 33.053 5.534 ( 12.771 -8.363 0.000) 15.265 5.825 ( 15.648 8.790 0.000) 17.947 5.999 ( 20.953 -9.372 0.000) 22.954 6.089 ( -13.522 -18.666 0.000) 23.049 6.621 ( 12.209 14.155 0.000) 18.693 6.744 ( -9.967 0.783 0.000) 9.998 6.759 ( 14.853 -4.587 0.000) 15.545 6.887 ( -4.228 -11.749 0.000) 12.486 6.922 ( 12.759 13.100 0.000) 18.287 7.136 ( 5.971 -9.010 0.000) 10.809 7.486 ( -0.387 12.744 0.000) 12.750 7.648 ( 4.305 -5.304 0.000) 6.831 7.752 ( 5.621 -13.986 0.000) 15.073 7.809 ( -0.341 -16.572 0.000) 16.575 8.317 ( -1.062 13.725 0.000) 13.766 8.501 ( 1.582 8.356 0.000) 8.505 8.601 ( -6.114 -12.385 0.000) 13.812 8.734 ( -1.530 -12.697 0.000) 12.789 9.028 ( 2.816 13.235 0.000) 13.532 9.049 ( 7.105 14.032 0.000) 15.728 9.157 ( 12.097 9.577 0.000) 15.429 9.248 ( 7.639 14.526 0.000) 16.413 9.281 ( 4.515 -9.996 0.000) 10.968 9.451 ( 5.626 4.020 0.000) 6.914 9.696 ( -0.456 3.926 0.000) 3.952 9.707 ( -0.383 4.367 0.000) 4.384 9.772 ( 16.644 -14.053 0.000) 21.783 9.937 ( 8.282 -31.131 0.000) 32.214 10.524 ( -10.187 14.014 0.000) 17.325 10.575 ( 6.288 4.731 0.000) 7.870 10.710 ( 4.166 -7.355 0.000) 8.453 10.773 ( -1.363 -7.442 0.000) 7.566 11.134 ( 1.672 5.553 0.000) 5.799 11.218 ( 0.898 -2.618 0.000) 2.767 11.338 ( 4.109 3.648 0.000) 5.495 11.415 ( -0.690 -3.830 0.000) 3.892 11.958 ( 0.878 16.507 0.000) 16.530 12.235 ( -2.587 5.432 0.000) 6.017 12.257 ( -3.076 -7.247 0.000) 7.873 12.357 ( -2.351 -5.913 0.000) 6.363 12.511 ( -10.672 -1.119 0.000) 10.730 12.556 ( 1.917 5.474 0.000) 5.800 12.581 ( -4.815 -7.732 0.000) 9.109 12.716 ( 5.001 -8.141 0.000) 9.554 13.331 ( 1.526 9.293 0.000) 9.418 13.356 ( -1.497 7.212 0.000) 7.366 13.496 ( -0.272 -6.170 0.000) 6.176 13.513 ( -1.724 -6.876 0.000) 7.089 13.934 ( -24.392 12.311 0.000) 27.323 14.191 ( -23.268 -11.970 0.000) 26.166 14.840 ( -14.309 25.283 0.000) 29.051 14.855 ( -14.160 11.770 0.000) 18.413 15.107 ( -6.256 -12.174 0.000) 13.687 15.354 ( -24.257 -22.328 0.000) 32.968 15.919 ( 31.426 11.542 0.000) 33.478 16.149 ( 37.399 -10.092 0.000) 38.737 16.534 ( -31.032 1.639 0.000) 31.075 16.602 ( -21.214 -5.687 0.000) 21.963 16.939 ( -21.316 7.607 0.000) 22.632 17.097 ( -24.991 -6.810 0.000) 25.902 17.137 ( -12.985 3.785 0.000) 13.525 17.213 ( -10.798 -3.416 0.000) 11.326 18.156 ( 3.516 18.610 0.000) 18.939 18.219 ( -14.476 0.573 0.000) 14.487 18.247 ( -13.725 -2.018 0.000) 13.872 18.557 ( 3.148 -19.213 0.000) 19.469 19.079 ( 5.351 3.209 0.000) 6.240 19.161 ( 4.776 -4.018 0.000) 6.241 19.314 ( 3.789 2.775 0.000) 4.697 19.344 ( 4.305 0.252 0.000) 4.313 19.366 ( 0.321 7.853 0.000) 7.860 19.491 ( -2.091 -4.541 0.000) 5.000 19.695 ( 2.324 8.548 0.000) 8.858 19.755 ( 1.991 8.139 0.000) 8.379 19.854 ( 1.905 2.622 0.000) 3.241 19.871 ( 1.175 -9.842 0.000) 9.912 19.976 ( 3.028 -8.217 0.000) 8.757 19.998 ( -0.569 -12.863 0.000) 12.876 20.562 ( -2.368 6.542 0.000) 6.957 20.656 ( 0.818 -2.430 0.000) 2.564 20.936 ( 3.193 4.979 0.000) 5.915 21.033 ( 0.455 -4.041 0.000) 4.067 21.271 ( -10.084 -0.709 0.000) 10.109 21.278 ( -9.780 -1.370 0.000) 9.875 21.697 ( -0.953 9.037 0.000) 9.087 21.704 ( 5.770 1.929 0.000) 6.084 21.740 ( 3.853 -1.946 0.000) 4.317 21.872 ( -10.195 -2.744 0.000) 10.558 21.912 ( -7.622 -3.047 0.000) 8.209 21.956 ( -9.254 -3.126 0.000) 9.768 22.016 ( 3.583 6.064 0.000) 7.043 22.109 ( 4.457 -2.185 0.000) 4.964 22.308 ( -2.251 4.414 0.000) 4.954 22.394 ( -4.562 -3.986 0.000) 6.058 22.826 ( -9.979 6.250 0.000) 11.774 22.911 ( -3.727 10.394 0.000) 11.042 22.921 ( -10.933 -2.424 0.000) 11.199 22.964 ( 6.655 5.406 0.000) 8.574 23.053 ( -2.741 3.573 0.000) 4.503 23.148 ( -0.683 0.721 0.000) 0.993 23.181 ( -3.733 -1.337 0.000) 3.966 23.217 ( 2.498 -7.553 0.000) 7.956 23.457 ( 2.341 1.242 0.000) 2.650 23.493 ( 2.803 -1.735 0.000) 3.296 23.528 ( 10.227 5.712 0.000) 11.714 23.645 ( 7.744 -4.473 0.000) 8.943 23.649 ( -1.076 2.604 0.000) 2.818 23.747 ( 7.467 -4.088 0.000) 8.513 23.868 ( -6.673 15.539 0.000) 16.912 24.058 ( -1.414 6.916 0.000) 7.059 24.166 ( -9.040 -12.142 0.000) 15.137 24.214 ( -14.449 -5.162 0.000) 15.343 24.382 ( -8.548 5.522 0.000) 10.177 24.428 ( -10.068 1.983 0.000) 10.262 24.469 ( 2.881 0.392 0.000) 2.907 24.497 ( 2.863 -1.967 0.000) 3.473 24.575 ( -1.686 1.783 0.000) 2.454 24.631 ( 1.164 1.519 0.000) 1.914 24.660 ( 3.459 -1.245 0.000) 3.677 24.666 ( 2.805 -1.775 0.000) 3.320 24.720 ( 5.559 -3.603 0.000) 6.624 24.802 ( 7.372 -9.391 0.000) 11.939 25.119 ( 9.832 2.824 0.000) 10.230 25.166 ( 12.968 -1.824 0.000) 13.096 25.230 ( 10.013 -0.042 0.000) 10.013 25.271 ( 10.653 -4.046 0.000) 11.395 25.985 ( -6.080 11.556 0.000) 13.058 26.205 ( -8.934 -9.551 0.000) 13.078 27.063 ( -1.648 6.351 0.000) 6.561 27.237 ( 4.966 -10.369 0.000) 11.497 27.390 ( -11.078 9.839 0.000) 14.816 27.597 ( -14.227 -9.927 0.000) 17.348 28.833 ( -11.321 0.625 0.000) 11.338 28.838 ( -10.325 0.256 0.000) 10.328 28.908 ( -10.943 0.216 0.000) 10.945 28.922 ( -9.931 -0.939 0.000) 9.976 29.609 ( 8.180 1.527 0.000) 8.322 29.642 ( 10.934 -1.874 0.000) 11.093 30.124 ( 12.184 5.213 0.000) 13.253 30.264 ( 14.522 -8.339 0.000) 16.746 30.779 ( 5.850 9.329 0.000) 11.011 30.944 ( 1.984 -6.467 0.000) 6.764 31.282 ( 6.664 11.584 0.000) 13.364 31.496 ( 6.385 -9.206 0.000) 11.204 35.133 ( -1.406 4.723 0.000) 4.928 35.247 ( -1.484 -6.124 0.000) 6.301 35.547 ( -4.915 13.523 0.000) 14.388 35.679 ( -3.247 11.737 0.000) 12.178 35.797 ( -17.211 5.702 0.000) 18.131 35.837 ( -10.594 0.960 0.000) 10.637 35.860 ( -7.591 -14.920 0.000) 16.740 35.919 ( -3.007 -10.289 0.000) 10.719 39.000 ( 6.877 0.464 0.000) 6.893 39.033 ( 6.877 -2.573 0.000) 7.342 39.373 ( 33.420 7.636 0.000) 34.282 39.569 ( 9.702 4.224 0.000) 10.582 39.588 ( 8.179 5.593 0.000) 9.908 39.623 ( 24.382 -11.311 0.000) 26.878 39.694 ( 9.820 -4.495 0.000) 10.800 39.710 ( 31.268 -14.545 0.000) 34.486 40.211 ( 11.374 1.393 0.000) 11.459 40.250 ( 11.171 -2.330 0.000) 11.411 41.138 ( 4.031 2.052 0.000) 4.524 41.149 ( 3.932 2.840 0.000) 4.851 41.179 ( 3.626 -1.869 0.000) 4.079 41.193 ( 6.827 -1.253 0.000) 6.941 42.624 ( -10.967 6.433 0.000) 12.715 42.766 ( -10.857 -6.936 0.000) 12.884 96.934 ( 11.948 0.306 0.000) 11.952 96.941 ( 12.607 -0.314 0.000) 12.611 96.997 ( 15.636 2.477 0.000) 15.831 97.089 ( 21.701 -7.437 0.000) 22.940 100.197 ( -3.870 0.098 0.000) 3.871 100.202 ( -4.085 -0.408 0.000) 4.105 100.421 ( -5.870 4.928 0.000) 7.664 100.529 ( -6.816 -5.383 0.000) 8.685 ======================= Grid point 24 (15/54) ======================= q-point: ( 0.18 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 34.739 26.399 0.000) 43.632 3.022 ( 27.419 30.266 0.000) 40.839 3.499 ( 20.628 -24.507 0.000) 32.033 3.603 ( 15.056 -24.111 0.000) 28.425 4.179 ( 13.757 9.750 0.000) 16.862 4.306 ( 21.781 8.363 0.000) 23.331 4.408 ( 12.201 -11.126 0.000) 16.512 4.472 ( 20.188 -2.397 0.000) 20.329 4.794 ( 15.314 8.154 0.000) 17.350 4.821 ( 40.386 16.318 0.000) 43.558 5.031 ( 23.517 21.517 0.000) 31.875 5.047 ( 18.223 -13.097 0.000) 22.441 5.143 ( 16.662 -5.848 0.000) 17.659 5.330 ( 36.366 -6.055 0.000) 36.867 5.485 ( 13.601 13.976 0.000) 19.502 5.733 ( 49.720 -2.250 0.000) 49.771 5.748 ( 9.602 -9.764 0.000) 13.694 5.945 ( 10.876 -13.484 0.000) 17.324 6.130 ( 7.617 12.778 0.000) 14.876 6.372 ( 8.401 -11.318 0.000) 14.095 6.665 ( 8.811 8.896 0.000) 12.521 6.917 ( 16.998 10.243 0.000) 19.846 7.016 ( 19.934 -21.563 0.000) 29.365 7.105 ( 21.530 -14.078 0.000) 25.724 7.291 ( 20.883 10.841 0.000) 23.530 7.409 ( 21.060 0.868 0.000) 21.078 7.436 ( -2.875 13.575 0.000) 13.877 7.761 ( 6.909 -6.132 0.000) 9.237 7.769 ( -3.159 -18.154 0.000) 18.427 7.901 ( 9.333 -18.643 0.000) 20.849 8.238 ( -6.160 9.716 0.000) 11.504 8.470 ( -6.394 -11.475 0.000) 13.136 8.572 ( 6.169 7.307 0.000) 9.563 8.710 ( -0.065 -4.749 0.000) 4.749 9.118 ( 6.788 13.098 0.000) 14.752 9.169 ( 4.142 8.597 0.000) 9.543 9.318 ( 4.480 -5.068 0.000) 6.764 9.386 ( 5.641 -10.550 0.000) 11.964 9.579 ( 20.988 27.551 0.000) 34.635 9.718 ( 3.654 3.539 0.000) 5.087 9.720 ( 14.031 19.623 0.000) 24.123 9.742 ( 5.240 1.691 0.000) 5.506 10.128 ( 10.437 -20.180 0.000) 22.719 10.172 ( 20.269 -23.502 0.000) 31.035 10.357 ( -2.967 12.432 0.000) 12.781 10.718 ( 5.184 2.912 0.000) 5.946 10.719 ( -0.333 -17.294 0.000) 17.298 10.795 ( 3.974 -2.671 0.000) 4.788 11.224 ( 7.711 6.368 0.000) 10.001 11.288 ( 7.309 -0.227 0.000) 7.313 11.401 ( 1.215 4.583 0.000) 4.741 11.497 ( 10.660 -3.703 0.000) 11.285 11.980 ( -0.033 9.401 0.000) 9.401 12.154 ( -7.090 -5.760 0.000) 9.135 12.187 ( -1.774 4.767 0.000) 5.086 12.279 ( -10.126 5.446 0.000) 11.497 12.323 ( -1.106 -8.031 0.000) 8.107 12.480 ( -4.254 -13.281 0.000) 13.946 12.582 ( -0.882 9.143 0.000) 9.185 12.739 ( -3.706 -5.535 0.000) 6.661 13.129 ( -22.564 7.743 0.000) 23.855 13.294 ( -20.432 -7.536 0.000) 21.778 13.378 ( 2.277 5.420 0.000) 5.879 13.440 ( -6.721 0.678 0.000) 6.756 13.656 ( 1.472 13.574 0.000) 13.653 13.911 ( -2.313 -10.597 0.000) 10.847 14.456 ( -21.354 11.656 0.000) 24.328 14.539 ( -14.437 17.097 0.000) 22.377 14.717 ( -34.395 -11.687 0.000) 36.327 14.903 ( -10.735 -17.578 0.000) 20.597 15.735 ( -42.846 7.864 0.000) 43.562 15.952 ( -39.089 -12.731 0.000) 41.111 16.422 ( -25.452 9.368 0.000) 27.121 16.616 ( -21.378 -9.340 0.000) 23.329 16.634 ( 26.484 10.268 0.000) 28.405 16.682 ( -19.952 2.679 0.000) 20.131 16.819 ( -5.262 1.775 0.000) 5.554 17.038 ( 21.256 -11.931 0.000) 24.375 17.794 ( -26.992 1.866 0.000) 27.056 17.847 ( -22.054 -3.018 0.000) 22.259 18.207 ( 0.091 18.812 0.000) 18.813 18.592 ( -1.010 -17.724 0.000) 17.753 19.150 ( 0.945 2.198 0.000) 2.392 19.216 ( 0.528 -3.319 0.000) 3.361 19.343 ( -2.631 6.959 0.000) 7.440 19.379 ( 1.563 4.063 0.000) 4.353 19.445 ( 3.465 -2.238 0.000) 4.125 19.454 ( -1.717 -3.715 0.000) 4.093 19.733 ( 0.461 8.071 0.000) 8.084 19.789 ( 1.319 3.536 0.000) 3.774 19.899 ( 1.407 -6.983 0.000) 7.124 19.911 ( 3.712 4.466 0.000) 5.807 19.966 ( -2.559 -11.016 0.000) 11.309 20.066 ( 5.348 -9.700 0.000) 11.077 20.499 ( -3.892 8.665 0.000) 9.499 20.663 ( -0.767 -6.931 0.000) 6.974 20.989 ( 0.360 2.830 0.000) 2.853 21.010 ( -2.484 1.123 0.000) 2.726 21.104 ( -4.800 -0.153 0.000) 4.803 21.127 ( -4.916 -2.324 0.000) 5.438 21.554 ( -16.693 4.368 0.000) 17.255 21.602 ( -10.581 1.956 0.000) 10.760 21.678 ( -13.112 2.040 0.000) 13.270 21.825 ( -10.222 -8.992 0.000) 13.614 21.906 ( 12.383 1.455 0.000) 12.468 21.939 ( 16.022 -1.456 0.000) 16.088 22.142 ( 9.424 7.083 0.000) 11.789 22.205 ( -5.304 2.163 0.000) 5.729 22.241 ( -6.702 -1.242 0.000) 6.816 22.249 ( 9.673 -1.982 0.000) 9.874 22.617 ( -9.528 5.784 0.000) 11.147 22.709 ( -9.257 -2.522 0.000) 9.594 22.819 ( -2.742 6.181 0.000) 6.762 22.893 ( -9.280 18.316 0.000) 20.532 22.947 ( -5.010 -6.806 0.000) 8.451 23.059 ( -6.754 3.831 0.000) 7.765 23.108 ( -3.501 -1.511 0.000) 3.813 23.258 ( -7.319 -15.352 0.000) 17.008 23.385 ( -7.627 2.751 0.000) 8.108 23.431 ( -7.506 -1.354 0.000) 7.627 23.546 ( -8.398 5.129 0.000) 9.840 23.598 ( 1.295 12.018 0.000) 12.088 23.638 ( -9.144 -1.917 0.000) 9.342 23.896 ( -0.455 -11.969 0.000) 11.978 23.935 ( -6.214 -0.187 0.000) 6.216 23.956 ( 9.992 8.766 0.000) 13.292 23.972 ( -10.243 -1.229 0.000) 10.317 24.153 ( 8.649 -8.489 0.000) 12.119 24.168 ( -8.938 6.106 0.000) 10.824 24.250 ( -4.283 -0.907 0.000) 4.378 24.517 ( 3.554 -0.500 0.000) 3.589 24.549 ( 6.423 -3.420 0.000) 7.277 24.651 ( 6.293 7.011 0.000) 9.421 24.751 ( 4.161 -0.925 0.000) 4.263 24.828 ( 13.074 1.337 0.000) 13.143 24.856 ( 13.023 -0.944 0.000) 13.057 24.889 ( 10.828 -0.314 0.000) 10.833 25.003 ( 9.521 -9.091 0.000) 13.164 25.350 ( 12.749 5.452 0.000) 13.866 25.418 ( 7.677 1.386 0.000) 7.802 25.439 ( 13.033 -2.992 0.000) 13.372 25.478 ( 9.018 -3.902 0.000) 9.826 25.873 ( -3.573 7.343 0.000) 8.166 26.015 ( -7.818 -6.290 0.000) 10.034 26.965 ( -7.642 7.631 0.000) 10.799 27.115 ( -11.753 -3.091 0.000) 12.152 27.284 ( -2.821 -1.109 0.000) 3.031 27.370 ( -7.292 -6.073 0.000) 9.489 28.523 ( -18.668 0.989 0.000) 18.694 28.542 ( -18.242 -0.544 0.000) 18.250 28.605 ( -17.995 0.893 0.000) 18.017 28.635 ( -17.610 -1.519 0.000) 17.675 29.883 ( 18.484 4.004 0.000) 18.913 30.002 ( 23.297 -7.915 0.000) 24.605 30.431 ( 16.390 7.559 0.000) 18.049 30.618 ( 18.391 -10.262 0.000) 21.061 30.941 ( 9.288 3.416 0.000) 9.896 30.999 ( 3.338 -2.212 0.000) 4.005 31.443 ( 8.142 10.108 0.000) 12.979 31.639 ( 6.613 -8.797 0.000) 11.005 35.101 ( -1.470 4.719 0.000) 4.943 35.212 ( -1.652 -5.608 0.000) 5.847 35.423 ( -6.547 11.163 0.000) 12.941 35.544 ( -7.903 7.817 0.000) 11.116 35.594 ( -4.868 11.446 0.000) 12.439 35.655 ( -6.574 -3.173 0.000) 7.299 35.671 ( -9.789 -11.348 0.000) 14.986 35.829 ( -5.503 -10.051 0.000) 11.459 39.196 ( 11.808 0.969 0.000) 11.848 39.228 ( 11.963 -2.137 0.000) 12.152 39.746 ( 9.180 2.161 0.000) 9.431 39.782 ( 9.471 6.808 0.000) 11.664 39.793 ( 6.769 -2.320 0.000) 7.156 39.920 ( 10.573 -6.356 0.000) 12.337 40.130 ( 34.623 15.752 0.000) 38.038 40.530 ( 18.762 0.675 0.000) 18.774 40.538 ( 31.150 -23.436 0.000) 38.982 40.565 ( 18.890 -2.520 0.000) 19.058 41.231 ( 3.622 1.711 0.000) 4.006 41.280 ( 5.871 -3.622 0.000) 6.898 41.281 ( 8.987 6.329 0.000) 10.992 41.394 ( 12.289 -4.479 0.000) 13.080 42.344 ( -14.784 7.847 0.000) 16.737 42.518 ( -11.626 -8.628 0.000) 14.478 97.272 ( 20.243 1.137 0.000) 20.275 97.297 ( 21.101 -1.093 0.000) 21.129 97.398 ( 22.094 5.473 0.000) 22.762 97.561 ( 22.835 -10.671 0.000) 25.206 100.076 ( -8.143 -0.019 0.000) 8.143 100.079 ( -7.774 -0.225 0.000) 7.778 100.247 ( -10.941 3.921 0.000) 11.623 100.331 ( -12.174 -4.128 0.000) 12.855 ======================= Grid point 25 (16/54) ======================= q-point: ( 0.27 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.552 ( 23.513 18.470 0.000) 29.900 3.694 ( 35.109 13.342 0.000) 37.559 3.918 ( 15.016 -15.994 0.000) 21.938 3.945 ( 21.976 -10.331 0.000) 24.283 4.406 ( 7.619 5.193 0.000) 9.220 4.556 ( 4.983 -8.107 0.000) 9.516 4.683 ( 14.369 7.111 0.000) 16.033 4.830 ( 10.144 -6.404 0.000) 11.996 5.029 ( 0.844 25.303 0.000) 25.317 5.202 ( 22.432 11.154 0.000) 25.052 5.298 ( 1.930 1.048 0.000) 2.196 5.387 ( 14.650 -4.534 0.000) 15.336 5.565 ( 21.609 3.346 0.000) 21.866 5.698 ( 16.245 -5.721 0.000) 17.223 5.785 ( 10.290 10.434 0.000) 14.654 5.951 ( 8.099 -5.431 0.000) 9.751 6.306 ( 18.781 7.191 0.000) 20.111 6.482 ( 18.033 -4.228 0.000) 18.522 6.530 ( 14.051 -13.769 0.000) 19.673 6.585 ( 18.772 -14.503 0.000) 23.721 6.969 ( 11.835 16.769 0.000) 20.525 7.287 ( 1.646 -3.250 0.000) 3.643 7.353 ( 14.440 10.835 0.000) 18.053 7.603 ( 9.628 -12.292 0.000) 15.614 7.604 ( 17.256 -12.594 0.000) 21.363 7.710 ( -3.270 -17.023 0.000) 17.335 7.731 ( 27.623 3.954 0.000) 27.905 7.809 ( 19.152 -0.891 0.000) 19.172 8.118 ( 27.576 -4.082 0.000) 27.876 8.168 ( 4.425 8.943 0.000) 9.978 8.213 ( 20.033 -13.124 0.000) 23.949 8.386 ( 2.394 -10.746 0.000) 11.010 8.736 ( 9.956 8.942 0.000) 13.382 8.853 ( 17.315 -0.600 0.000) 17.325 9.227 ( 1.387 7.825 0.000) 7.947 9.377 ( 0.881 -6.426 0.000) 6.486 9.389 ( 22.918 7.797 0.000) 24.208 9.565 ( 15.243 -6.983 0.000) 16.766 9.730 ( -5.528 19.019 0.000) 19.806 9.892 ( 14.452 4.762 0.000) 15.216 9.966 ( 16.919 -2.269 0.000) 17.071 10.029 ( 15.187 17.126 0.000) 22.890 10.104 ( -7.225 -10.492 0.000) 12.739 10.403 ( 5.326 -7.102 0.000) 8.877 10.731 ( -1.904 5.467 0.000) 5.789 10.777 ( 30.415 -4.479 0.000) 30.743 10.873 ( 2.830 -6.421 0.000) 7.017 10.919 ( 19.067 -9.366 0.000) 21.243 11.443 ( -0.087 10.185 0.000) 10.186 11.451 ( 13.428 6.347 0.000) 14.853 11.559 ( 18.842 -2.461 0.000) 19.002 11.672 ( -1.321 -10.712 0.000) 10.793 11.904 ( -5.491 7.825 0.000) 9.559 12.044 ( -0.424 -3.238 0.000) 3.266 12.114 ( -7.401 6.515 0.000) 9.860 12.146 ( -3.946 3.441 0.000) 5.235 12.266 ( -7.000 -7.169 0.000) 10.020 12.342 ( -14.771 -11.261 0.000) 18.575 12.494 ( -6.553 5.689 0.000) 8.678 12.570 ( -10.140 -2.950 0.000) 10.561 12.726 ( -5.752 9.918 0.000) 11.465 12.969 ( -4.812 -12.282 0.000) 13.191 13.164 ( -17.167 15.511 0.000) 23.136 13.400 ( -3.191 -2.733 0.000) 4.201 13.779 ( 6.818 10.583 0.000) 12.589 13.898 ( -3.208 -2.000 0.000) 3.781 13.930 ( -29.475 0.449 0.000) 29.478 14.096 ( -27.903 -11.997 0.000) 30.373 14.386 ( 2.340 16.389 0.000) 16.555 14.778 ( 1.168 -19.082 0.000) 19.118 15.000 ( -21.798 11.686 0.000) 24.733 15.215 ( -27.684 -8.479 0.000) 28.954 15.961 ( -19.049 10.219 0.000) 21.617 16.071 ( -32.627 4.573 0.000) 32.946 16.195 ( -19.229 -12.373 0.000) 22.866 16.210 ( -32.619 -8.720 0.000) 33.764 17.078 ( -23.961 5.213 0.000) 24.522 17.132 ( -30.759 0.121 0.000) 30.759 17.463 ( 29.604 20.477 0.000) 35.996 17.917 ( 30.096 -21.830 0.000) 37.179 18.093 ( -13.167 17.609 0.000) 21.987 18.450 ( -14.786 -16.408 0.000) 22.088 19.120 ( -3.722 1.253 0.000) 3.927 19.172 ( -5.289 -3.251 0.000) 6.208 19.260 ( -6.051 6.082 0.000) 8.580 19.349 ( -5.849 5.406 0.000) 7.965 19.373 ( -7.690 -4.287 0.000) 8.805 19.428 ( -3.992 -2.712 0.000) 4.826 19.716 ( -0.688 3.782 0.000) 3.844 19.787 ( -1.558 -1.757 0.000) 2.348 19.928 ( 1.805 -2.244 0.000) 2.879 19.943 ( 1.132 -4.832 0.000) 4.963 20.001 ( 4.099 5.387 0.000) 6.770 20.151 ( 1.263 -8.226 0.000) 8.322 20.406 ( -4.735 7.878 0.000) 9.192 20.603 ( -5.063 -10.066 0.000) 11.267 20.931 ( -4.025 1.600 0.000) 4.332 20.939 ( -5.230 0.929 0.000) 5.312 21.060 ( -0.182 0.936 0.000) 0.954 21.076 ( 0.999 -0.230 0.000) 1.025 21.211 ( -15.896 3.261 0.000) 16.227 21.261 ( -18.599 -1.450 0.000) 18.655 21.471 ( -6.738 3.200 0.000) 7.459 21.561 ( -11.100 -5.565 0.000) 12.417 22.135 ( -2.109 1.718 0.000) 2.720 22.169 ( -2.009 -1.563 0.000) 2.545 22.200 ( 13.762 4.137 0.000) 14.370 22.242 ( 9.617 0.183 0.000) 9.619 22.443 ( 18.944 5.620 0.000) 19.760 22.444 ( -7.292 5.481 0.000) 9.122 22.512 ( 15.170 -0.618 0.000) 15.182 22.530 ( -8.159 -2.561 0.000) 8.552 22.675 ( -6.684 12.251 0.000) 13.956 22.879 ( -2.073 -2.067 0.000) 2.927 22.889 ( 3.043 -5.420 0.000) 6.216 22.951 ( -4.280 3.925 0.000) 5.807 23.013 ( -5.772 -2.030 0.000) 6.119 23.039 ( -6.210 -13.556 0.000) 14.911 23.250 ( -4.925 4.351 0.000) 6.572 23.294 ( -3.595 1.144 0.000) 3.772 23.371 ( -5.848 -0.549 0.000) 5.874 23.386 ( -12.765 -1.097 0.000) 12.812 23.594 ( -6.976 7.591 0.000) 10.309 23.676 ( -9.087 1.297 0.000) 9.179 23.717 ( -9.720 0.995 0.000) 9.770 23.858 ( -7.543 -9.738 0.000) 12.318 24.073 ( 1.346 10.016 0.000) 10.107 24.137 ( 5.234 11.557 0.000) 12.687 24.268 ( 0.463 -8.032 0.000) 8.045 24.349 ( 11.030 -8.050 0.000) 13.655 24.664 ( 9.383 1.131 0.000) 9.451 24.726 ( 9.008 -4.582 0.000) 10.106 24.764 ( 4.556 4.137 0.000) 6.154 24.822 ( 2.976 -0.491 0.000) 3.017 25.078 ( 4.750 2.096 0.000) 5.192 25.090 ( 11.519 2.048 0.000) 11.699 25.127 ( 12.049 -0.542 0.000) 12.062 25.148 ( 7.057 -3.920 0.000) 8.073 25.517 ( 1.525 2.768 0.000) 3.160 25.589 ( 9.057 5.071 0.000) 10.380 25.617 ( 3.713 -5.832 0.000) 6.914 25.691 ( 10.622 -3.802 0.000) 11.282 25.864 ( 2.354 3.671 0.000) 4.361 25.930 ( -0.092 -2.586 0.000) 2.588 26.817 ( -5.591 3.548 0.000) 6.622 26.917 ( -6.755 -4.668 0.000) 8.211 27.216 ( -3.267 0.392 0.000) 3.291 27.237 ( -5.645 -0.987 0.000) 5.730 28.079 ( -24.146 0.982 0.000) 24.166 28.103 ( -24.021 -1.247 0.000) 24.053 28.189 ( -22.147 1.236 0.000) 22.181 28.216 ( -22.757 -1.204 0.000) 22.788 30.330 ( 23.679 7.358 0.000) 24.796 30.527 ( 26.060 -11.671 0.000) 28.554 30.755 ( 14.369 9.534 0.000) 17.244 30.970 ( 15.068 -10.553 0.000) 18.396 31.073 ( 3.986 3.234 0.000) 5.133 31.145 ( 9.859 -3.589 0.000) 10.492 31.585 ( 5.112 6.725 0.000) 8.448 31.742 ( 3.105 -7.920 0.000) 8.507 35.078 ( -0.720 4.927 0.000) 4.980 35.188 ( -0.547 -5.115 0.000) 5.144 35.298 ( -5.222 9.368 0.000) 10.725 35.436 ( -3.255 7.328 0.000) 8.019 35.459 ( -8.410 5.408 0.000) 9.998 35.519 ( -4.184 -3.046 0.000) 5.175 35.561 ( -2.987 -4.653 0.000) 5.529 35.706 ( -6.201 -9.627 0.000) 11.451 39.471 ( 14.756 1.748 0.000) 14.859 39.513 ( 15.401 -2.255 0.000) 15.565 39.904 ( 6.047 -0.111 0.000) 6.048 39.909 ( 4.496 -0.520 0.000) 4.526 39.947 ( 6.521 6.567 0.000) 9.255 40.087 ( 5.573 -6.798 0.000) 8.790 40.746 ( 24.078 12.905 0.000) 27.318 40.929 ( 5.222 -2.455 0.000) 5.771 40.937 ( 19.977 1.561 0.000) 20.038 40.992 ( 21.644 -3.445 0.000) 21.917 41.278 ( 1.081 -1.192 0.000) 1.610 41.399 ( 7.418 -13.173 0.000) 15.117 41.501 ( 11.691 8.831 0.000) 14.651 41.664 ( 13.146 -6.866 0.000) 14.831 42.090 ( -8.266 11.828 0.000) 14.430 42.330 ( -6.591 -11.111 0.000) 12.919 97.735 ( 24.229 1.701 0.000) 24.289 97.772 ( 24.536 -1.620 0.000) 24.589 97.869 ( 23.388 5.655 0.000) 24.061 98.016 ( 21.594 -8.247 0.000) 23.116 99.867 ( -12.189 0.536 0.000) 12.200 99.880 ( -11.561 -0.690 0.000) 11.582 99.979 ( -15.078 2.877 0.000) 15.350 100.040 ( -16.068 -2.937 0.000) 16.334 ======================= Grid point 26 (17/54) ======================= q-point: ( 0.36 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.979 ( 18.069 10.164 0.000) 20.732 4.202 ( 12.429 -11.061 0.000) 16.638 4.336 ( 19.406 0.926 0.000) 19.428 4.340 ( 20.976 3.369 0.000) 21.244 4.482 ( 1.046 5.174 0.000) 5.279 4.635 ( 2.975 -7.995 0.000) 8.531 4.832 ( -0.398 5.864 0.000) 5.877 4.937 ( 2.665 -2.533 0.000) 3.677 5.114 ( 6.925 17.776 0.000) 19.077 5.355 ( 6.653 -2.375 0.000) 7.064 5.496 ( 3.789 8.874 0.000) 9.649 5.659 ( 9.847 -4.155 0.000) 10.687 5.935 ( 16.845 8.417 0.000) 18.831 6.009 ( 12.209 10.656 0.000) 16.205 6.079 ( 16.814 8.676 0.000) 18.920 6.120 ( 15.141 -0.547 0.000) 15.150 6.668 ( 4.875 11.568 0.000) 12.554 6.673 ( 4.486 -5.422 0.000) 7.037 6.757 ( 3.300 -18.506 0.000) 18.798 6.807 ( 4.229 1.143 0.000) 4.381 7.263 ( 24.763 7.935 0.000) 26.003 7.346 ( -8.532 1.429 0.000) 8.650 7.396 ( 10.787 -6.556 0.000) 12.623 7.564 ( -8.748 -17.701 0.000) 19.744 7.565 ( -6.988 -16.903 0.000) 18.291 7.711 ( -1.889 -26.481 0.000) 26.549 8.141 ( 10.917 6.419 0.000) 12.665 8.278 ( 14.406 -5.475 0.000) 15.412 8.429 ( 12.452 3.569 0.000) 12.954 8.510 ( 10.349 -4.726 0.000) 11.377 8.527 ( 25.802 9.603 0.000) 27.531 8.706 ( 22.951 -6.692 0.000) 23.906 8.995 ( 7.847 8.907 0.000) 11.870 9.167 ( 10.103 -6.854 0.000) 12.209 9.214 ( -2.987 7.282 0.000) 7.871 9.340 ( -3.669 -5.499 0.000) 6.611 9.609 ( -3.082 13.132 0.000) 13.488 9.897 ( -8.969 -13.779 0.000) 16.441 9.982 ( 23.738 2.332 0.000) 23.852 10.035 ( 22.359 -2.344 0.000) 22.481 10.295 ( 17.207 4.716 0.000) 17.842 10.300 ( 10.704 14.105 0.000) 17.707 10.420 ( 23.793 -4.606 0.000) 24.235 10.534 ( 7.247 -6.683 0.000) 9.858 10.735 ( 5.569 13.602 0.000) 14.698 11.019 ( 15.894 -10.152 0.000) 18.859 11.158 ( 7.064 7.965 0.000) 10.646 11.294 ( -9.230 9.545 0.000) 13.278 11.321 ( 8.061 -5.482 0.000) 9.748 11.465 ( -12.897 -5.005 0.000) 13.834 11.708 ( 9.426 11.531 0.000) 14.893 11.709 ( -15.541 2.632 0.000) 15.762 11.805 ( -18.080 1.232 0.000) 18.122 11.815 ( -11.739 -2.084 0.000) 11.922 11.943 ( -12.388 -1.574 0.000) 12.488 12.040 ( 3.886 6.102 0.000) 7.234 12.106 ( 8.186 -9.818 0.000) 12.783 12.268 ( 6.932 -14.350 0.000) 15.936 12.448 ( 3.112 4.119 0.000) 5.162 12.506 ( 3.315 -3.065 0.000) 4.515 12.825 ( -13.655 18.810 0.000) 23.244 12.926 ( 17.254 6.852 0.000) 18.565 13.086 ( 9.090 -7.754 0.000) 11.948 13.171 ( -17.938 -8.686 0.000) 19.930 13.418 ( -17.187 -0.219 0.000) 17.188 13.587 ( -14.057 -13.543 0.000) 19.519 13.773 ( -5.007 5.812 0.000) 7.672 13.870 ( 0.787 -2.963 0.000) 3.066 14.609 ( 14.964 16.065 0.000) 21.955 14.840 ( -2.208 8.386 0.000) 8.671 14.898 ( 1.288 -9.004 0.000) 9.096 14.926 ( 0.459 1.113 0.000) 1.204 15.527 ( -14.777 -1.680 0.000) 14.872 15.597 ( -16.232 -7.834 0.000) 18.023 15.626 ( -15.068 9.985 0.000) 18.076 15.903 ( -6.278 -15.330 0.000) 16.566 16.508 ( -26.571 4.538 0.000) 26.956 16.541 ( -22.574 1.222 0.000) 22.608 17.609 ( -33.916 15.703 0.000) 37.375 17.928 ( -36.149 -14.863 0.000) 39.085 18.060 ( 25.030 18.723 0.000) 31.257 18.500 ( 22.762 -22.857 0.000) 32.257 18.918 ( -16.657 5.790 0.000) 17.635 19.036 ( -7.232 -5.188 0.000) 8.900 19.038 ( -15.179 6.866 0.000) 16.659 19.164 ( -9.271 9.964 0.000) 13.610 19.190 ( -6.731 -7.259 0.000) 9.900 19.357 ( -2.982 -7.794 0.000) 8.345 19.728 ( 2.280 3.412 0.000) 4.104 19.814 ( 4.513 -4.054 0.000) 6.067 19.971 ( 2.467 0.520 0.000) 2.522 19.993 ( 3.481 -1.246 0.000) 3.697 20.024 ( -2.422 2.245 0.000) 3.303 20.097 ( -5.128 -4.208 0.000) 6.634 20.309 ( -5.036 5.681 0.000) 7.592 20.469 ( -8.278 -8.387 0.000) 11.784 20.852 ( -2.358 1.235 0.000) 2.662 20.874 ( -1.037 -0.863 0.000) 1.349 20.959 ( -7.523 0.112 0.000) 7.524 20.993 ( -6.610 -2.586 0.000) 7.097 21.105 ( 4.192 2.475 0.000) 4.868 21.136 ( 4.571 -0.101 0.000) 4.572 21.388 ( -2.206 2.030 0.000) 2.998 21.433 ( -2.733 -2.522 0.000) 3.719 22.107 ( -0.300 1.826 0.000) 1.850 22.135 ( -0.487 -0.928 0.000) 1.048 22.321 ( 0.646 6.320 0.000) 6.353 22.327 ( -3.723 4.333 0.000) 5.712 22.390 ( 1.472 8.714 0.000) 8.837 22.400 ( -3.707 -2.460 0.000) 4.449 22.484 ( -4.390 -3.605 0.000) 5.681 22.654 ( -8.567 -10.875 0.000) 13.844 22.833 ( -6.680 2.016 0.000) 6.977 22.843 ( 1.777 1.959 0.000) 2.645 22.867 ( 4.150 -0.600 0.000) 4.193 22.879 ( -6.903 -2.236 0.000) 7.256 22.900 ( 9.602 8.869 0.000) 13.071 23.089 ( 0.773 -7.722 0.000) 7.761 23.112 ( -6.383 4.630 0.000) 7.886 23.170 ( -7.409 -0.310 0.000) 7.416 23.359 ( 7.443 1.161 0.000) 7.533 23.388 ( 5.767 -0.934 0.000) 5.843 23.445 ( -3.981 1.453 0.000) 4.238 23.506 ( 0.303 -4.287 0.000) 4.298 23.762 ( 5.751 -0.441 0.000) 5.768 23.767 ( 5.073 -1.607 0.000) 5.321 24.052 ( -2.353 9.240 0.000) 9.534 24.215 ( -4.329 -6.208 0.000) 7.568 24.338 ( 13.781 14.078 0.000) 19.701 24.600 ( 12.273 -8.414 0.000) 14.880 24.825 ( 4.920 0.241 0.000) 4.926 24.835 ( 3.143 2.041 0.000) 3.748 24.864 ( 4.218 -3.148 0.000) 5.263 24.889 ( 4.004 -1.477 0.000) 4.267 25.146 ( 3.992 6.351 0.000) 7.502 25.256 ( 2.530 2.692 0.000) 3.694 25.291 ( 3.099 1.529 0.000) 3.456 25.293 ( 7.195 -6.964 0.000) 10.014 25.499 ( -2.345 2.891 0.000) 3.723 25.643 ( 0.489 -8.913 0.000) 8.926 25.712 ( 3.165 6.759 0.000) 7.464 25.843 ( 4.532 -5.127 0.000) 6.842 25.907 ( -0.253 3.841 0.000) 3.849 25.971 ( 2.053 -2.213 0.000) 3.019 26.751 ( -0.382 3.445 0.000) 3.466 26.850 ( -0.000 -5.572 0.000) 5.572 27.147 ( -1.827 2.163 0.000) 2.831 27.180 ( -0.917 -1.205 0.000) 1.515 27.565 ( -24.796 1.290 0.000) 24.829 27.598 ( -23.804 -1.819 0.000) 23.874 27.724 ( -22.115 0.426 0.000) 22.119 27.731 ( -23.266 -0.132 0.000) 23.266 30.797 ( 20.524 8.749 0.000) 22.311 30.999 ( 9.152 10.500 0.000) 13.928 31.013 ( 20.040 -11.720 0.000) 23.215 31.156 ( 4.383 7.970 0.000) 9.096 31.213 ( 8.323 -8.365 0.000) 11.800 31.338 ( 8.937 -9.316 0.000) 12.909 31.635 ( -0.538 2.636 0.000) 2.691 31.760 ( -1.431 -7.594 0.000) 7.728 35.075 ( 0.570 5.856 0.000) 5.884 35.187 ( 0.204 -3.389 0.000) 3.395 35.216 ( -2.862 8.062 0.000) 8.555 35.301 ( -6.570 5.024 0.000) 8.271 35.398 ( -0.548 5.142 0.000) 5.171 35.464 ( -1.387 -2.047 0.000) 2.473 35.517 ( -1.620 -5.276 0.000) 5.519 35.585 ( -5.391 -8.465 0.000) 10.036 39.786 ( 15.329 2.324 0.000) 15.504 39.834 ( 14.545 -2.310 0.000) 14.727 39.979 ( 2.572 0.657 0.000) 2.654 40.002 ( 3.646 -1.621 0.000) 3.990 40.065 ( 6.159 4.446 0.000) 7.596 40.164 ( 2.648 -5.040 0.000) 5.693 40.822 ( -11.559 7.276 0.000) 13.658 40.951 ( -7.744 -4.311 0.000) 8.863 41.315 ( 16.015 3.798 0.000) 16.460 41.355 ( 11.076 10.133 0.000) 15.012 41.410 ( 18.094 -4.936 0.000) 18.755 41.622 ( 11.064 -13.536 0.000) 17.483 41.726 ( 9.573 8.968 0.000) 13.117 41.900 ( 9.194 -7.674 0.000) 11.976 42.011 ( -0.894 10.018 0.000) 10.058 42.223 ( -4.723 -9.644 0.000) 10.739 98.245 ( 24.993 1.813 0.000) 25.059 98.284 ( 24.935 -1.634 0.000) 24.988 98.346 ( 22.942 4.380 0.000) 23.356 98.453 ( 21.030 -5.535 0.000) 21.746 99.577 ( -15.994 1.313 0.000) 16.047 99.605 ( -15.227 -1.269 0.000) 15.280 99.633 ( -18.394 1.982 0.000) 18.500 99.677 ( -19.131 -2.139 0.000) 19.250 ======================= Grid point 27 (18/54) ======================= q-point: ( 0.45 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.287 ( 11.615 5.123 0.000) 12.694 4.417 ( 8.169 -6.944 0.000) 10.721 4.446 ( -3.988 3.903 0.000) 5.580 4.509 ( 0.890 1.109 0.000) 1.422 4.639 ( 5.014 2.422 0.000) 5.569 4.753 ( -5.611 8.598 0.000) 10.267 4.787 ( 11.196 -8.837 0.000) 14.263 4.933 ( -3.383 -7.960 0.000) 8.649 5.284 ( 9.185 16.668 0.000) 19.031 5.453 ( -6.196 14.636 0.000) 15.893 5.566 ( 11.445 -7.589 0.000) 13.733 5.725 ( -2.815 -9.668 0.000) 10.069 6.251 ( 9.173 18.653 0.000) 20.786 6.270 ( 13.919 20.392 0.000) 24.689 6.310 ( 6.397 18.214 0.000) 19.304 6.495 ( 13.991 -4.441 0.000) 14.679 6.579 ( -7.398 18.749 0.000) 20.156 6.704 ( -1.712 -1.486 0.000) 2.267 6.763 ( -2.307 11.884 0.000) 12.106 6.808 ( -1.034 -13.911 0.000) 13.949 7.175 ( -2.275 -10.809 0.000) 11.045 7.331 ( -11.927 -23.917 0.000) 26.726 7.398 ( -3.970 -24.511 0.000) 24.830 7.420 ( -5.495 -24.092 0.000) 24.710 7.843 ( 23.197 -0.148 0.000) 23.197 7.997 ( 21.884 -14.277 0.000) 26.129 8.155 ( -7.509 3.322 0.000) 8.211 8.316 ( -7.326 -10.348 0.000) 12.678 8.773 ( 13.306 0.046 0.000) 13.306 8.776 ( 16.491 -0.578 0.000) 16.501 8.891 ( 4.225 6.027 0.000) 7.360 9.007 ( -0.199 -4.856 0.000) 4.860 9.046 ( 0.086 13.592 0.000) 13.593 9.106 ( -5.501 12.755 0.000) 13.891 9.293 ( 2.532 -9.423 0.000) 9.758 9.296 ( 0.393 -4.647 0.000) 4.664 9.755 ( 17.980 2.325 0.000) 18.130 9.856 ( 8.735 -7.235 0.000) 11.343 10.109 ( -10.906 0.835 0.000) 10.938 10.150 ( -11.266 -3.038 0.000) 11.669 10.513 ( 10.389 11.080 0.000) 15.189 10.602 ( 15.493 9.573 0.000) 18.212 10.683 ( 3.874 2.156 0.000) 4.434 10.690 ( 7.341 -5.381 0.000) 9.102 10.875 ( 1.356 5.018 0.000) 5.198 11.018 ( 1.450 0.196 0.000) 1.463 11.110 ( -19.572 7.814 0.000) 21.074 11.159 ( -3.029 13.355 0.000) 13.695 11.213 ( -8.896 6.638 0.000) 11.099 11.364 ( -23.296 -3.072 0.000) 23.497 11.504 ( -3.631 -10.708 0.000) 11.306 11.630 ( -12.126 -18.514 0.000) 22.131 11.680 ( 25.576 6.175 0.000) 26.311 11.752 ( 16.279 1.197 0.000) 16.323 11.931 ( -0.305 15.087 0.000) 15.090 12.120 ( -13.312 3.128 0.000) 13.674 12.230 ( 12.351 3.803 0.000) 12.924 12.395 ( 5.600 -11.523 0.000) 12.812 12.450 ( -6.315 -0.507 0.000) 6.336 12.508 ( -3.704 -2.078 0.000) 4.247 12.876 ( 13.348 1.769 0.000) 13.465 12.957 ( 4.335 -7.221 0.000) 8.422 13.106 ( -6.214 -0.381 0.000) 6.225 13.114 ( -3.478 -1.504 0.000) 3.789 13.406 ( 13.186 -1.201 0.000) 13.241 13.496 ( 4.826 -9.989 0.000) 11.094 13.672 ( -8.273 2.507 0.000) 8.645 13.770 ( -14.286 -6.365 0.000) 15.640 14.745 ( 0.221 7.453 0.000) 7.457 14.780 ( -2.684 12.294 0.000) 12.584 14.834 ( 5.472 -0.123 0.000) 5.473 15.015 ( -2.063 -10.341 0.000) 10.545 15.393 ( -1.704 26.639 0.000) 26.694 15.449 ( 3.636 15.384 0.000) 15.808 15.853 ( 17.472 -20.063 0.000) 26.604 15.919 ( 3.755 -23.586 0.000) 23.883 16.197 ( 4.934 8.800 0.000) 10.089 16.341 ( 11.306 -5.146 0.000) 12.422 16.790 ( -41.741 13.459 0.000) 43.857 17.049 ( -45.602 -11.443 0.000) 47.016 18.428 ( 9.199 14.433 0.000) 17.115 18.588 ( -12.113 13.882 0.000) 18.424 18.739 ( 2.620 -5.781 0.000) 6.347 18.850 ( 1.760 4.352 0.000) 4.694 18.866 ( -8.365 -8.462 0.000) 11.898 18.980 ( -8.795 9.832 0.000) 13.192 19.180 ( 5.351 -18.109 0.000) 18.883 19.290 ( -4.121 -15.416 0.000) 15.957 19.816 ( 5.476 4.676 0.000) 7.201 19.915 ( 4.414 -4.853 0.000) 6.560 19.929 ( -5.564 2.734 0.000) 6.200 19.999 ( -4.156 -3.841 0.000) 5.659 20.061 ( 6.550 1.928 0.000) 6.828 20.089 ( 6.379 -0.668 0.000) 6.414 20.196 ( -6.055 3.263 0.000) 6.878 20.269 ( -10.329 -3.348 0.000) 10.858 20.840 ( 0.865 1.445 0.000) 1.684 20.876 ( -2.359 0.472 0.000) 2.406 20.883 ( 1.433 -2.554 0.000) 2.928 20.920 ( -2.084 -3.335 0.000) 3.933 21.220 ( 6.423 2.534 0.000) 6.905 21.254 ( 6.495 -0.429 0.000) 6.509 21.334 ( -3.985 2.291 0.000) 4.597 21.373 ( -4.341 -1.305 0.000) 4.533 22.147 ( 4.537 2.714 0.000) 5.287 22.188 ( 5.668 -1.140 0.000) 5.782 22.277 ( -7.209 6.105 0.000) 9.447 22.296 ( -3.456 5.014 0.000) 6.090 22.308 ( 2.205 4.221 0.000) 4.762 22.392 ( 2.575 -3.328 0.000) 4.208 22.439 ( -10.074 -4.299 0.000) 10.953 22.458 ( -2.277 -5.323 0.000) 5.789 22.735 ( -1.881 0.251 0.000) 1.898 22.762 ( -3.486 -1.666 0.000) 3.864 22.762 ( -3.924 0.224 0.000) 3.931 22.789 ( -6.098 -1.566 0.000) 6.296 23.027 ( 0.624 3.025 0.000) 3.089 23.032 ( -1.448 3.751 0.000) 4.021 23.069 ( -1.359 -0.879 0.000) 1.618 23.074 ( -2.230 -0.186 0.000) 2.237 23.478 ( 4.033 3.469 0.000) 5.320 23.489 ( 3.614 2.137 0.000) 4.199 23.532 ( 5.912 -1.995 0.000) 6.240 23.573 ( 1.977 -5.315 0.000) 5.670 23.905 ( 8.457 4.442 0.000) 9.553 23.984 ( 8.620 -2.496 0.000) 8.974 24.004 ( -2.310 7.261 0.000) 7.620 24.116 ( -5.266 -3.347 0.000) 6.240 24.642 ( 13.253 8.724 0.000) 15.867 24.824 ( 9.131 -5.633 0.000) 10.729 24.827 ( -4.600 2.774 0.000) 5.372 24.914 ( -0.022 -5.070 0.000) 5.070 24.951 ( 9.154 0.836 0.000) 9.192 25.007 ( 7.673 -3.668 0.000) 8.505 25.164 ( -9.044 2.691 0.000) 9.436 25.216 ( -10.499 -1.781 0.000) 10.649 25.288 ( 10.059 9.105 0.000) 13.568 25.454 ( -3.412 7.088 0.000) 7.866 25.475 ( 10.478 -8.237 0.000) 13.327 25.641 ( -3.173 -9.860 0.000) 10.358 25.743 ( 1.023 7.453 0.000) 7.522 25.819 ( -6.626 7.385 0.000) 9.922 25.905 ( 2.059 -7.365 0.000) 7.647 25.957 ( -3.027 -5.669 0.000) 6.427 26.831 ( 8.763 4.301 0.000) 9.761 26.921 ( 7.541 -4.238 0.000) 8.650 27.113 ( -18.340 2.770 0.000) 18.548 27.162 ( 3.540 1.511 0.000) 3.849 27.175 ( -16.900 -3.121 0.000) 17.186 27.194 ( 2.920 -1.501 0.000) 3.283 27.326 ( -13.878 1.256 0.000) 13.935 27.350 ( -13.260 -0.956 0.000) 13.294 31.103 ( 7.046 8.414 0.000) 10.974 31.125 ( 3.017 10.195 0.000) 10.632 31.236 ( 5.905 4.844 0.000) 7.638 31.305 ( 0.531 -3.279 0.000) 3.322 31.358 ( 11.972 -5.246 0.000) 13.071 31.520 ( 8.990 -11.724 0.000) 14.774 31.555 ( -7.124 -0.969 0.000) 7.189 31.683 ( -6.090 -9.207 0.000) 11.039 35.104 ( 2.287 6.822 0.000) 7.195 35.165 ( -3.004 7.086 0.000) 7.697 35.190 ( 0.136 1.157 0.000) 1.165 35.205 ( -2.147 5.100 0.000) 5.534 35.412 ( 1.889 -0.209 0.000) 1.900 35.451 ( -0.625 -3.610 0.000) 3.664 35.489 ( -1.088 -5.250 0.000) 5.362 35.494 ( -2.871 -5.909 0.000) 6.569 40.006 ( 2.563 1.453 0.000) 2.946 40.016 ( 0.918 1.454 0.000) 1.720 40.035 ( 5.988 -1.146 0.000) 6.097 40.057 ( 1.583 -2.650 0.000) 3.087 40.258 ( 10.345 1.800 0.000) 10.500 40.306 ( 16.014 -2.449 0.000) 16.200 40.540 ( -14.921 6.213 0.000) 16.163 40.659 ( -17.126 -5.214 0.000) 17.902 41.558 ( 6.634 7.045 0.000) 9.676 41.561 ( 6.086 10.429 0.000) 12.075 41.697 ( 9.038 -5.027 0.000) 10.342 41.768 ( 2.148 -7.117 0.000) 7.434 41.893 ( 7.152 5.177 0.000) 8.829 41.994 ( -1.904 3.115 0.000) 3.651 42.033 ( 4.110 -7.082 0.000) 8.189 42.118 ( -5.206 -6.501 0.000) 8.329 98.748 ( 23.764 1.797 0.000) 23.832 98.785 ( 23.741 -1.297 0.000) 23.776 98.804 ( 21.586 2.718 0.000) 21.757 98.875 ( 20.034 -3.570 0.000) 20.350 99.208 ( -20.467 2.076 0.000) 20.572 99.228 ( -20.146 1.871 0.000) 20.233 99.252 ( -21.055 -2.032 0.000) 21.153 99.271 ( -18.760 -2.056 0.000) 18.873 ======================= Grid point 55 (19/54) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 0.000 0.000 50.710) 50.710 1.239 ( 0.000 0.000 59.931) 59.931 1.365 ( 0.000 0.000 57.292) 57.292 2.941 ( 0.000 0.000 21.881) 21.881 3.348 ( 0.000 0.000 23.810) 23.810 3.395 ( 0.000 0.000 4.308) 4.308 3.699 ( 0.000 0.000 -13.033) 13.033 3.710 ( 0.000 0.000 -52.487) 52.487 3.883 ( 0.000 0.000 -41.217) 41.217 3.963 ( 0.000 0.000 -8.694) 8.694 4.425 ( 0.000 0.000 -31.698) 31.698 4.707 ( 0.000 0.000 -22.409) 22.409 4.879 ( 0.000 0.000 -7.605) 7.605 4.948 ( 0.000 0.000 -16.853) 16.853 5.270 ( 0.000 0.000 3.875) 3.875 5.309 ( 0.000 0.000 -0.465) 0.465 5.433 ( 0.000 0.000 15.064) 15.064 5.966 ( 0.000 0.000 42.539) 42.539 5.997 ( 0.000 0.000 -4.586) 4.586 6.013 ( 0.000 0.000 28.810) 28.810 6.530 ( 0.000 0.000 16.253) 16.253 6.554 ( 0.000 0.000 -7.946) 7.946 6.568 ( 0.000 0.000 23.125) 23.125 7.071 ( 0.000 0.000 12.317) 12.317 7.287 ( 0.000 0.000 -18.057) 18.057 7.455 ( 0.000 0.000 -3.405) 3.405 7.459 ( 0.000 0.000 2.141) 2.141 7.547 ( 0.000 0.000 -8.888) 8.888 7.907 ( 0.000 0.000 4.510) 4.510 7.989 ( 0.000 0.000 -12.408) 12.408 8.065 ( 0.000 0.000 9.583) 9.583 8.080 ( 0.000 0.000 -10.130) 10.130 8.500 ( 0.000 0.000 -12.684) 12.684 8.517 ( 0.000 0.000 6.235) 6.235 8.750 ( 0.000 0.000 -11.643) 11.643 8.902 ( 0.000 0.000 -12.337) 12.337 9.151 ( 0.000 0.000 -1.434) 1.434 9.248 ( 0.000 0.000 -8.362) 8.362 9.273 ( 0.000 0.000 -2.465) 2.465 9.346 ( 0.000 0.000 9.249) 9.249 9.753 ( 0.000 0.000 7.421) 7.421 9.789 ( 0.000 0.000 4.947) 4.947 9.954 ( 0.000 0.000 -19.884) 19.884 10.013 ( 0.000 0.000 -4.230) 4.230 10.141 ( 0.000 0.000 18.232) 18.232 10.789 ( 0.000 0.000 -5.632) 5.632 10.797 ( 0.000 0.000 -4.093) 4.093 10.868 ( 0.000 0.000 -8.490) 8.490 11.224 ( 0.000 0.000 5.355) 5.355 11.261 ( 0.000 0.000 24.781) 24.781 11.319 ( 0.000 0.000 18.201) 18.201 11.468 ( 0.000 0.000 -0.896) 0.896 11.824 ( 0.000 0.000 -5.951) 5.951 12.005 ( 0.000 0.000 10.995) 10.995 12.104 ( 0.000 0.000 -4.388) 4.388 12.379 ( 0.000 0.000 -2.108) 2.108 12.642 ( 0.000 0.000 -6.166) 6.166 12.849 ( 0.000 0.000 1.028) 1.028 12.923 ( 0.000 0.000 1.407) 1.407 13.055 ( 0.000 0.000 -25.433) 25.433 13.132 ( 0.000 0.000 2.991) 2.991 13.170 ( 0.000 0.000 14.807) 14.807 13.197 ( 0.000 0.000 4.027) 4.027 13.509 ( 0.000 0.000 -3.029) 3.029 14.136 ( 0.000 0.000 7.432) 7.432 14.452 ( 0.000 0.000 1.496) 1.496 14.773 ( 0.000 0.000 -3.841) 3.841 15.110 ( 0.000 0.000 13.147) 13.147 15.182 ( 0.000 0.000 7.037) 7.037 15.448 ( 0.000 0.000 -17.331) 17.331 15.747 ( 0.000 0.000 10.926) 10.926 16.192 ( 0.000 0.000 -31.631) 31.631 16.394 ( 0.000 0.000 -26.960) 26.960 16.541 ( 0.000 0.000 11.462) 11.462 16.614 ( 0.000 0.000 -17.933) 17.933 17.498 ( 0.000 0.000 -20.605) 20.605 17.709 ( 0.000 0.000 32.860) 32.860 17.896 ( 0.000 0.000 23.264) 23.264 17.944 ( 0.000 0.000 33.010) 33.010 18.606 ( 0.000 0.000 7.039) 7.039 18.744 ( 0.000 0.000 21.637) 21.637 18.763 ( 0.000 0.000 -14.364) 14.364 18.869 ( 0.000 0.000 -5.006) 5.006 18.993 ( 0.000 0.000 -19.509) 19.509 19.060 ( 0.000 0.000 -14.815) 14.815 19.161 ( 0.000 0.000 4.018) 4.018 19.177 ( 0.000 0.000 6.614) 6.614 19.527 ( 0.000 0.000 4.537) 4.537 19.581 ( 0.000 0.000 -12.581) 12.581 19.619 ( 0.000 0.000 6.883) 6.883 19.872 ( 0.000 0.000 -7.949) 7.949 20.065 ( 0.000 0.000 3.227) 3.227 20.191 ( 0.000 0.000 -12.398) 12.398 20.268 ( 0.000 0.000 6.263) 6.263 20.292 ( 0.000 0.000 -4.421) 4.421 20.531 ( 0.000 0.000 -5.627) 5.627 20.835 ( 0.000 0.000 6.602) 6.602 21.229 ( 0.000 0.000 -11.775) 11.775 21.252 ( 0.000 0.000 8.367) 8.367 21.358 ( 0.000 0.000 8.257) 8.257 21.558 ( 0.000 0.000 4.619) 4.619 21.754 ( 0.000 0.000 -4.291) 4.291 21.778 ( 0.000 0.000 -4.383) 4.383 21.799 ( 0.000 0.000 -10.205) 10.205 21.911 ( 0.000 0.000 11.245) 11.245 22.085 ( 0.000 0.000 3.817) 3.817 22.194 ( 0.000 0.000 2.832) 2.832 22.246 ( 0.000 0.000 1.554) 1.554 22.420 ( 0.000 0.000 0.791) 0.791 22.452 ( 0.000 0.000 -3.135) 3.135 22.595 ( 0.000 0.000 4.401) 4.401 22.882 ( 0.000 0.000 1.448) 1.448 22.942 ( 0.000 0.000 8.942) 8.942 23.055 ( 0.000 0.000 -11.615) 11.615 23.089 ( 0.000 0.000 -3.877) 3.877 23.119 ( 0.000 0.000 0.704) 0.704 23.148 ( 0.000 0.000 2.057) 2.057 23.231 ( 0.000 0.000 2.050) 2.050 23.231 ( 0.000 0.000 3.216) 3.216 23.312 ( 0.000 0.000 -3.681) 3.681 23.331 ( 0.000 0.000 -2.632) 2.632 23.439 ( 0.000 0.000 -3.842) 3.842 23.600 ( 0.000 0.000 4.375) 4.375 23.705 ( 0.000 0.000 2.831) 2.831 23.995 ( 0.000 0.000 5.068) 5.068 24.009 ( 0.000 0.000 -10.830) 10.830 24.201 ( 0.000 0.000 15.188) 15.188 24.268 ( 0.000 0.000 -15.874) 15.874 24.278 ( 0.000 0.000 -7.570) 7.570 24.482 ( 0.000 0.000 1.875) 1.875 24.517 ( 0.000 0.000 -2.710) 2.710 24.529 ( 0.000 0.000 -0.497) 0.497 24.576 ( 0.000 0.000 3.739) 3.739 24.603 ( 0.000 0.000 0.080) 0.080 24.640 ( 0.000 0.000 -0.486) 0.486 24.712 ( 0.000 0.000 -0.425) 0.425 24.730 ( 0.000 0.000 1.321) 1.321 24.791 ( 0.000 0.000 -1.021) 1.021 24.964 ( 0.000 0.000 -6.132) 6.132 24.969 ( 0.000 0.000 -2.360) 2.360 25.111 ( 0.000 0.000 7.677) 7.677 25.416 ( 0.000 0.000 -4.518) 4.518 25.610 ( 0.000 0.000 21.444) 21.444 26.406 ( 0.000 0.000 -12.849) 12.849 27.079 ( 0.000 0.000 0.365) 0.365 27.154 ( 0.000 0.000 -2.524) 2.524 27.750 ( 0.000 0.000 -0.240) 0.240 27.762 ( 0.000 0.000 -0.768) 0.768 28.995 ( 0.000 0.000 0.203) 0.203 28.997 ( 0.000 0.000 0.100) 0.100 29.018 ( 0.000 0.000 1.597) 1.597 29.157 ( 0.000 0.000 -5.097) 5.097 29.549 ( 0.000 0.000 4.960) 4.960 29.635 ( 0.000 0.000 11.179) 11.179 29.851 ( 0.000 0.000 -6.908) 6.908 30.148 ( 0.000 0.000 -11.911) 11.911 30.565 ( 0.000 0.000 7.956) 7.956 30.794 ( 0.000 0.000 -2.898) 2.898 31.185 ( 0.000 0.000 8.938) 8.938 31.563 ( 0.000 0.000 -5.821) 5.821 35.085 ( 0.000 0.000 2.467) 2.467 35.226 ( 0.000 0.000 -2.873) 2.873 35.327 ( 0.000 0.000 -0.850) 0.850 35.329 ( 0.000 0.000 -0.187) 0.187 35.549 ( 0.000 0.000 5.770) 5.770 35.752 ( 0.000 0.000 -2.910) 2.910 36.414 ( 0.000 0.000 2.038) 2.038 36.511 ( 0.000 0.000 -1.691) 1.691 38.961 ( 0.000 0.000 3.854) 3.854 39.064 ( 0.000 0.000 2.319) 2.319 39.235 ( 0.000 0.000 -7.794) 7.794 39.236 ( 0.000 0.000 -5.025) 5.025 39.244 ( 0.000 0.000 15.771) 15.771 39.737 ( 0.000 0.000 6.958) 6.958 39.815 ( 0.000 0.000 7.816) 7.816 40.009 ( 0.000 0.000 -4.197) 4.197 40.139 ( 0.000 0.000 -4.477) 4.477 40.363 ( 0.000 0.000 -32.619) 32.619 41.096 ( 0.000 0.000 1.272) 1.272 41.169 ( 0.000 0.000 -1.525) 1.525 41.625 ( 0.000 0.000 0.544) 0.544 41.647 ( 0.000 0.000 -0.298) 0.298 41.691 ( 0.000 0.000 27.888) 27.888 42.498 ( 0.000 0.000 -10.060) 10.060 96.808 ( 0.000 0.000 -0.010) 0.010 96.808 ( 0.000 0.000 -0.008) 0.008 96.817 ( 0.000 0.000 0.051) 0.051 96.820 ( 0.000 0.000 -0.056) 0.056 100.287 ( 0.000 0.000 1.130) 1.130 100.339 ( 0.000 0.000 -0.844) 0.844 100.714 ( 0.000 0.000 0.642) 0.642 100.748 ( 0.000 0.000 -0.637) 0.637 ======================= Grid point 56 (20/54) ======================= q-point: ( 0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 38.969 0.000 34.670) 52.159 1.615 ( 39.068 0.000 35.260) 52.627 2.665 ( 82.707 0.000 24.884) 86.369 3.426 ( 34.526 0.000 9.782) 35.885 3.483 ( 8.317 0.000 2.653) 8.730 3.646 ( 5.062 0.000 -24.870) 25.380 3.728 ( 19.430 0.000 -19.918) 27.826 3.987 ( 36.331 0.000 15.579) 39.530 4.165 ( 22.266 0.000 -24.790) 33.321 4.207 ( 18.331 0.000 -16.943) 24.961 4.330 ( 7.714 0.000 -23.087) 24.341 4.828 ( -1.878 0.000 -0.997) 2.126 4.880 ( -0.520 0.000 -7.945) 7.962 5.198 ( -0.690 0.000 14.451) 14.467 5.295 ( 34.811 0.000 -26.640) 43.835 5.510 ( 18.073 0.000 -5.152) 18.793 5.591 ( 10.498 0.000 6.834) 12.526 6.003 ( 5.676 0.000 35.066) 35.522 6.066 ( 6.479 0.000 -8.484) 10.675 6.090 ( 5.184 0.000 25.165) 25.693 6.304 ( -5.075 0.000 11.912) 12.948 6.631 ( 8.603 0.000 -3.351) 9.232 6.756 ( 6.825 0.000 11.691) 13.537 7.150 ( 5.640 0.000 16.935) 17.850 7.170 ( -8.621 0.000 -15.846) 18.039 7.528 ( 5.160 0.000 -2.712) 5.829 7.623 ( 15.839 0.000 6.819) 17.245 7.743 ( 18.521 0.000 -10.044) 21.069 7.960 ( -0.223 0.000 -7.557) 7.560 7.979 ( 7.110 0.000 3.727) 8.027 8.098 ( 7.083 0.000 -4.416) 8.347 8.265 ( 9.053 0.000 -1.605) 9.194 8.491 ( 1.383 0.000 -3.291) 3.569 8.601 ( 5.766 0.000 -4.210) 7.139 8.701 ( -4.210 0.000 -10.915) 11.699 8.960 ( 3.558 0.000 -13.255) 13.725 9.102 ( -1.097 0.000 -0.917) 1.430 9.178 ( -6.433 0.000 -2.605) 6.941 9.299 ( 1.646 0.000 -3.896) 4.230 9.410 ( 4.298 0.000 10.710) 11.541 9.552 ( -10.487 0.000 7.907) 13.134 9.772 ( -0.406 0.000 -4.812) 4.830 9.967 ( -2.538 0.000 -2.384) 3.482 10.191 ( 9.728 0.000 6.211) 11.542 10.277 ( 15.145 0.000 -9.071) 17.654 10.761 ( 0.353 0.000 -0.618) 0.712 10.844 ( 3.052 0.000 -4.152) 5.153 10.879 ( 1.783 0.000 -10.318) 10.471 11.171 ( -0.693 0.000 11.700) 11.720 11.246 ( -6.348 0.000 14.304) 15.649 11.431 ( 12.095 0.000 16.714) 20.631 11.465 ( 0.554 0.000 3.984) 4.022 11.899 ( 5.662 0.000 -6.559) 8.664 11.927 ( -5.460 0.000 1.826) 5.758 12.162 ( 3.244 0.000 4.859) 5.843 12.379 ( 0.644 0.000 0.962) 1.158 12.591 ( -4.125 0.000 -5.521) 6.892 12.844 ( -0.707 0.000 -5.605) 5.650 12.885 ( -4.248 0.000 7.525) 8.641 13.006 ( -3.696 0.000 -11.572) 12.148 13.019 ( -8.534 0.000 3.613) 9.267 13.123 ( -4.775 0.000 9.939) 11.027 13.243 ( 2.857 0.000 -2.753) 3.968 13.433 ( -7.301 0.000 -5.126) 8.921 13.942 ( -15.713 0.000 12.003) 19.773 14.337 ( -12.212 0.000 -3.807) 12.791 14.526 ( -27.231 0.000 3.992) 27.522 14.615 ( -11.367 0.000 -0.092) 11.367 15.564 ( 26.009 0.000 6.910) 26.911 15.610 ( -12.471 0.000 7.694) 14.654 15.856 ( -30.806 0.000 2.107) 30.878 16.001 ( 30.593 0.000 -22.257) 37.832 16.284 ( -9.610 0.000 -23.686) 25.561 16.303 ( -28.969 0.000 -13.951) 32.153 16.570 ( 3.235 0.000 -11.976) 12.405 17.111 ( -31.414 0.000 -16.937) 35.689 17.558 ( -25.498 0.000 27.747) 37.684 17.716 ( -9.591 0.000 26.364) 28.055 17.827 ( -8.950 0.000 14.574) 17.103 18.312 ( -23.809 0.000 -3.707) 24.096 18.511 ( -7.355 0.000 18.640) 20.039 18.955 ( 2.901 0.000 -11.225) 11.593 19.023 ( 10.894 0.000 -1.818) 11.044 19.048 ( 6.981 0.000 -3.967) 8.029 19.167 ( 5.170 0.000 -3.080) 6.018 19.226 ( 3.344 0.000 6.036) 6.900 19.228 ( 7.149 0.000 0.073) 7.149 19.538 ( -0.369 0.000 -5.354) 5.367 19.554 ( 2.671 0.000 5.080) 5.739 19.690 ( 3.590 0.000 2.090) 4.154 19.913 ( 3.869 0.000 -7.925) 8.819 20.079 ( 1.415 0.000 0.642) 1.554 20.154 ( -3.510 0.000 -10.428) 11.003 20.279 ( -1.390 0.000 -4.223) 4.445 20.311 ( 4.088 0.000 5.737) 7.045 20.599 ( 5.768 0.000 -6.311) 8.549 20.874 ( 3.768 0.000 5.616) 6.763 21.158 ( -7.422 0.000 -0.590) 7.445 21.271 ( 0.819 0.000 -4.159) 4.239 21.286 ( -6.761 0.000 1.821) 7.002 21.409 ( -8.441 0.000 2.836) 8.904 21.705 ( -11.838 0.000 -7.510) 14.020 21.745 ( -1.746 0.000 7.412) 7.615 21.768 ( 3.960 0.000 -0.129) 3.962 21.899 ( 4.516 0.000 -1.460) 4.746 21.984 ( -2.788 0.000 -0.507) 2.834 22.184 ( -1.670 0.000 4.605) 4.899 22.224 ( -3.865 0.000 6.195) 7.302 22.369 ( -5.113 0.000 -2.757) 5.809 22.476 ( -20.997 0.000 14.182) 25.338 22.543 ( 3.143 0.000 1.321) 3.409 22.576 ( -5.304 0.000 5.794) 7.856 22.765 ( -13.767 0.000 4.696) 14.546 22.958 ( -5.827 0.000 2.412) 6.307 23.038 ( 5.289 0.000 1.823) 5.594 23.108 ( -6.392 0.000 2.497) 6.862 23.208 ( 6.071 0.000 -4.569) 7.598 23.239 ( 2.263 0.000 2.022) 3.034 23.279 ( 0.749 0.000 -0.975) 1.230 23.436 ( 1.107 0.000 -4.490) 4.624 23.442 ( 0.995 0.000 -2.256) 2.466 23.585 ( 12.521 0.000 -4.355) 13.256 23.622 ( -3.127 0.000 -0.699) 3.204 23.723 ( 11.126 0.000 -2.821) 11.478 23.942 ( -4.111 0.000 4.866) 6.370 24.016 ( 2.630 0.000 4.722) 5.406 24.170 ( -13.724 0.000 -2.365) 13.927 24.199 ( -2.823 0.000 -9.412) 9.827 24.264 ( -6.660 0.000 -10.206) 12.187 24.280 ( -10.552 0.000 -3.321) 11.062 24.481 ( 11.691 0.000 3.030) 12.077 24.566 ( 1.223 0.000 -0.763) 1.442 24.567 ( -6.152 0.000 -0.159) 6.154 24.587 ( -8.131 0.000 -1.510) 8.270 24.760 ( 6.963 0.000 4.780) 8.446 24.778 ( 4.921 0.000 3.194) 5.867 24.825 ( 13.114 0.000 0.895) 13.144 24.841 ( 9.162 0.000 0.405) 9.171 25.113 ( 13.266 0.000 -3.313) 13.674 25.139 ( 11.128 0.000 -4.572) 12.031 25.448 ( 14.154 0.000 -3.385) 14.553 25.451 ( 3.000 0.000 2.313) 3.788 25.642 ( 2.467 0.000 13.068) 13.299 26.294 ( -9.870 0.000 -11.263) 14.976 26.966 ( -8.222 0.000 0.752) 8.256 27.064 ( -4.327 0.000 -2.842) 5.177 27.682 ( -7.118 0.000 -0.874) 7.172 27.730 ( -7.896 0.000 -5.541) 9.646 28.842 ( -11.724 0.000 1.869) 11.872 28.900 ( -12.219 0.000 0.920) 12.254 28.929 ( -13.183 0.000 1.749) 13.298 28.939 ( -9.971 0.000 -0.082) 9.971 29.627 ( 8.068 0.000 5.514) 9.772 29.882 ( 21.483 0.000 9.044) 23.309 29.949 ( 9.384 0.000 -7.213) 11.836 30.337 ( 16.414 0.000 -10.725) 19.607 30.705 ( 12.686 0.000 5.463) 13.812 30.855 ( 5.770 0.000 -1.516) 5.966 31.197 ( 1.331 0.000 10.619) 10.702 31.634 ( 5.920 0.000 -6.722) 8.957 35.064 ( -1.151 0.000 1.640) 2.003 35.201 ( -2.303 0.000 -3.060) 3.830 35.296 ( -2.917 0.000 -0.870) 3.044 35.296 ( -3.049 0.000 -0.158) 3.053 35.510 ( -3.367 0.000 5.342) 6.315 35.715 ( -3.183 0.000 -3.153) 4.481 36.251 ( -12.594 0.000 5.479) 13.735 36.270 ( -12.152 0.000 1.570) 12.253 39.050 ( 7.378 0.000 2.191) 7.697 39.166 ( 5.806 0.000 4.210) 7.172 39.277 ( 6.624 0.000 -7.796) 10.230 39.411 ( 11.753 0.000 -5.612) 13.024 39.425 ( 18.894 0.000 13.894) 23.452 39.803 ( 5.785 0.000 6.972) 9.060 39.937 ( 11.275 0.000 8.858) 14.338 40.135 ( 11.925 0.000 -5.109) 12.973 40.268 ( 11.878 0.000 -4.884) 12.843 40.441 ( 7.884 0.000 -29.665) 30.695 41.170 ( -1.835 0.000 1.629) 2.454 41.196 ( 8.749 0.000 0.248) 8.753 41.622 ( -2.289 0.000 16.943) 17.097 41.719 ( 3.228 0.000 11.362) 11.811 42.161 ( 20.129 0.000 -26.116) 32.973 42.428 ( -4.239 0.000 -13.409) 14.063 96.933 ( 11.310 0.000 0.315) 11.314 96.940 ( 11.637 0.000 -0.068) 11.637 96.982 ( 15.402 0.000 1.609) 15.486 97.317 ( 28.801 0.000 -21.947) 36.210 100.239 ( -4.615 0.000 1.058) 4.734 100.288 ( -4.885 0.000 -0.806) 4.951 100.466 ( -15.154 0.000 11.347) 18.932 100.653 ( -8.793 0.000 -1.388) 8.902 ======================= Grid point 57 (21/54) ======================= q-point: ( 0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 46.748 0.000 21.457) 51.437 2.481 ( 41.624 0.000 22.576) 47.353 3.721 ( 13.905 0.000 -1.266) 13.963 3.765 ( 21.281 0.000 -11.514) 24.196 3.860 ( 14.709 0.000 -19.896) 24.743 3.982 ( 18.416 0.000 -27.036) 32.712 4.267 ( 1.752 0.000 -6.704) 6.929 4.357 ( 35.506 0.000 -2.913) 35.626 4.653 ( 29.684 0.000 2.580) 29.795 4.785 ( 15.216 0.000 -6.648) 16.605 4.940 ( 13.841 0.000 1.249) 13.897 4.944 ( 12.782 0.000 6.695) 14.430 5.091 ( 43.183 0.000 11.783) 44.761 5.299 ( 12.339 0.000 13.292) 18.136 5.676 ( 2.275 0.000 6.189) 6.594 5.921 ( 20.552 0.000 14.802) 25.328 5.990 ( 15.840 0.000 -0.280) 15.843 6.239 ( 15.174 0.000 2.666) 15.407 6.288 ( 27.140 0.000 6.128) 27.823 6.289 ( 19.810 0.000 -14.190) 24.367 6.548 ( 16.968 0.000 -3.520) 17.330 6.948 ( 19.751 0.000 8.216) 21.392 6.979 ( -0.558 0.000 -7.849) 7.869 7.046 ( 26.569 0.000 -1.319) 26.601 7.345 ( 16.820 0.000 12.726) 21.092 7.666 ( 10.274 0.000 -3.712) 10.924 8.022 ( 5.245 0.000 1.433) 5.437 8.022 ( 17.845 0.000 -2.074) 17.965 8.138 ( 6.074 0.000 1.885) 6.360 8.206 ( 24.692 0.000 10.242) 26.732 8.233 ( 3.866 0.000 -7.461) 8.403 8.439 ( 7.991 0.000 -2.500) 8.373 8.567 ( 4.880 0.000 1.311) 5.053 8.672 ( 5.258 0.000 -14.555) 15.476 8.760 ( 12.240 0.000 -4.932) 13.197 8.925 ( -4.259 0.000 -9.360) 10.283 9.040 ( -5.136 0.000 4.762) 7.004 9.272 ( -1.913 0.000 2.065) 2.815 9.281 ( 15.974 0.000 -4.417) 16.573 9.464 ( 1.131 0.000 6.436) 6.535 9.476 ( 2.356 0.000 3.985) 4.629 9.822 ( 6.190 0.000 -8.213) 10.285 9.935 ( 2.912 0.000 -0.250) 2.922 10.425 ( -0.681 0.000 -13.354) 13.372 10.492 ( 15.328 0.000 -2.804) 15.583 10.847 ( 6.331 0.000 -9.585) 11.487 10.885 ( 2.159 0.000 0.272) 2.176 11.027 ( 11.259 0.000 0.039) 11.259 11.121 ( -2.955 0.000 6.909) 7.514 11.206 ( 3.982 0.000 7.595) 8.575 11.490 ( 1.909 0.000 7.436) 7.677 11.721 ( 11.612 0.000 13.025) 17.450 11.817 ( -1.394 0.000 -3.454) 3.725 11.985 ( 1.168 0.000 -5.463) 5.587 12.202 ( 0.500 0.000 7.217) 7.234 12.396 ( 0.189 0.000 7.539) 7.542 12.508 ( -3.367 0.000 -3.902) 5.154 12.652 ( -16.664 0.000 11.222) 20.090 12.775 ( -7.537 0.000 -8.612) 11.444 12.890 ( -5.671 0.000 1.298) 5.818 12.928 ( -4.893 0.000 -0.439) 4.912 12.979 ( -8.134 0.000 5.321) 9.720 13.164 ( -13.314 0.000 -9.504) 16.358 13.298 ( -2.965 0.000 -5.333) 6.102 13.603 ( -14.960 0.000 15.508) 21.548 14.039 ( -11.494 0.000 -5.137) 12.589 14.144 ( -9.826 0.000 3.188) 10.330 14.408 ( -9.405 0.000 -2.390) 9.704 15.097 ( -38.936 0.000 14.204) 41.446 15.297 ( -16.029 0.000 -1.342) 16.085 15.523 ( -43.962 0.000 -5.579) 44.315 16.028 ( -36.390 0.000 -22.707) 42.893 16.073 ( -8.820 0.000 -3.574) 9.516 16.171 ( 30.133 0.000 -5.571) 30.644 16.600 ( -4.157 0.000 -12.686) 13.349 16.840 ( 14.585 0.000 -19.618) 24.446 16.935 ( -29.106 0.000 22.527) 36.805 17.376 ( -24.140 0.000 13.073) 27.452 17.421 ( -29.841 0.000 -1.450) 29.876 17.744 ( -29.903 0.000 -9.364) 31.334 18.526 ( 7.959 0.000 31.781) 32.763 19.030 ( 4.290 0.000 -4.849) 6.474 19.145 ( 1.857 0.000 1.899) 2.656 19.173 ( 4.618 0.000 0.460) 4.641 19.185 ( -3.601 0.000 3.496) 5.019 19.264 ( -1.020 0.000 3.926) 4.056 19.399 ( 7.514 0.000 -3.700) 8.376 19.558 ( 0.201 0.000 -0.037) 0.204 19.642 ( 5.441 0.000 6.006) 8.105 19.738 ( 1.457 0.000 1.846) 2.351 20.014 ( 5.276 0.000 -7.012) 8.775 20.038 ( -7.763 0.000 -6.449) 10.092 20.104 ( -0.595 0.000 -2.991) 3.050 20.232 ( -3.153 0.000 -4.320) 5.349 20.418 ( 5.955 0.000 3.951) 7.147 20.717 ( 4.720 0.000 -7.313) 8.704 20.954 ( 2.208 0.000 3.182) 3.873 20.991 ( -7.573 0.000 1.012) 7.640 21.121 ( -8.310 0.000 -1.288) 8.409 21.138 ( -7.499 0.000 2.477) 7.898 21.399 ( -14.224 0.000 -1.462) 14.299 21.424 ( 1.985 0.000 -6.110) 6.424 21.661 ( -12.253 0.000 4.202) 12.953 21.882 ( -1.928 0.000 -2.048) 2.812 22.028 ( 8.251 0.000 -0.854) 8.295 22.054 ( 6.088 0.000 -0.987) 6.168 22.070 ( -6.586 0.000 1.440) 6.741 22.070 ( -1.480 0.000 7.363) 7.510 22.245 ( 0.072 0.000 3.821) 3.822 22.297 ( -3.256 0.000 1.499) 3.584 22.406 ( -5.039 0.000 7.940) 9.404 22.516 ( -9.428 0.000 1.064) 9.488 22.605 ( 3.611 0.000 -5.531) 6.605 22.720 ( -11.298 0.000 -3.230) 11.751 23.009 ( -1.825 0.000 7.738) 7.951 23.160 ( 1.295 0.000 1.157) 1.737 23.213 ( -8.480 0.000 -1.800) 8.669 23.242 ( -2.781 0.000 2.297) 3.607 23.246 ( 0.606 0.000 -3.256) 3.312 23.430 ( -2.536 0.000 -4.034) 4.764 23.432 ( -3.092 0.000 6.567) 7.259 23.537 ( -5.461 0.000 2.671) 6.079 23.767 ( -13.180 0.000 -5.156) 14.152 23.810 ( 3.266 0.000 -0.756) 3.352 23.862 ( 0.773 0.000 -1.503) 1.690 23.877 ( -11.402 0.000 1.565) 11.509 23.956 ( -7.407 0.000 5.430) 9.184 24.069 ( -0.346 0.000 -7.327) 7.335 24.252 ( 1.086 0.000 -4.175) 4.314 24.268 ( 3.390 0.000 -14.375) 14.769 24.473 ( 1.021 0.000 0.035) 1.021 24.527 ( 3.647 0.000 -2.652) 4.509 24.653 ( 6.718 0.000 2.643) 7.219 24.743 ( 13.226 0.000 -0.796) 13.250 24.853 ( 4.829 0.000 3.449) 5.934 24.884 ( 5.512 0.000 2.480) 6.044 25.059 ( 11.543 0.000 5.096) 12.618 25.136 ( 7.794 0.000 0.149) 7.795 25.327 ( 9.323 0.000 1.104) 9.389 25.410 ( 13.495 0.000 -3.360) 13.907 25.543 ( 7.124 0.000 4.481) 8.416 25.597 ( 3.765 0.000 2.084) 4.303 25.724 ( 5.815 0.000 5.056) 7.706 26.077 ( -9.163 0.000 -7.125) 11.607 26.855 ( -1.270 0.000 2.220) 2.558 26.989 ( -4.016 0.000 -2.090) 4.528 27.473 ( -11.893 0.000 -2.063) 12.070 27.475 ( -14.495 0.000 -3.343) 14.876 28.540 ( -17.489 0.000 1.458) 17.550 28.543 ( -19.942 0.000 2.294) 20.074 28.633 ( -19.043 0.000 -0.004) 19.043 28.646 ( -17.116 0.000 -0.463) 17.123 29.867 ( 15.006 0.000 5.216) 15.887 30.192 ( 13.152 0.000 -7.794) 15.288 30.409 ( 27.620 0.000 6.519) 28.379 30.742 ( 21.369 0.000 -7.014) 22.490 30.991 ( 11.242 0.000 0.236) 11.245 31.009 ( 8.481 0.000 0.162) 8.482 31.277 ( 8.831 0.000 12.985) 15.704 31.765 ( 6.173 0.000 -7.515) 9.725 35.048 ( -0.562 0.000 0.149) 0.582 35.139 ( -3.498 0.000 -2.965) 4.586 35.213 ( -4.755 0.000 -0.096) 4.756 35.216 ( -4.654 0.000 -0.869) 4.734 35.436 ( -3.188 0.000 4.851) 5.805 35.644 ( -3.308 0.000 -3.744) 4.996 36.000 ( -12.707 0.000 2.480) 12.947 36.052 ( -8.107 0.000 0.703) 8.137 39.235 ( 10.420 0.000 3.588) 11.020 39.322 ( 10.096 0.000 2.873) 10.496 39.457 ( 10.003 0.000 -7.873) 12.730 39.637 ( 9.122 0.000 -8.867) 12.721 39.936 ( 28.366 0.000 10.780) 30.345 39.956 ( 8.362 0.000 10.870) 13.714 40.210 ( 13.414 0.000 9.977) 16.717 40.455 ( 17.215 0.000 -8.882) 19.371 40.572 ( 16.159 0.000 -6.295) 17.342 40.685 ( 15.283 0.000 -21.669) 26.517 41.128 ( -0.634 0.000 6.967) 6.995 41.404 ( 10.615 0.000 -5.053) 11.756 41.574 ( -1.400 0.000 17.333) 17.389 41.842 ( 8.566 0.000 9.892) 13.086 42.093 ( -14.791 0.000 -6.698) 16.237 42.489 ( 2.937 0.000 -18.557) 18.788 97.256 ( 19.578 0.000 0.374) 19.582 97.270 ( 19.802 0.000 -0.236) 19.803 97.388 ( 22.717 0.000 3.865) 23.044 97.788 ( 19.181 0.000 -14.534) 24.066 100.098 ( -9.085 0.000 0.878) 9.127 100.140 ( -9.514 0.000 -0.705) 9.540 100.198 ( -11.821 0.000 8.033) 14.292 100.413 ( -14.045 0.000 -2.160) 14.210 ======================= Grid point 58 (22/54) ======================= q-point: ( 0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.252 ( 32.918 0.000 14.934) 36.147 3.397 ( 41.032 0.000 13.409) 43.167 3.977 ( 9.943 0.000 -4.775) 11.031 4.110 ( 15.232 0.000 -13.716) 20.497 4.201 ( 17.238 0.000 -17.725) 24.725 4.242 ( 7.364 0.000 -14.970) 16.684 4.397 ( 12.268 0.000 -1.337) 12.340 4.680 ( 5.888 0.000 -8.917) 10.686 4.927 ( -0.274 0.000 3.713) 3.724 5.142 ( 14.409 0.000 -7.033) 16.034 5.191 ( 9.626 0.000 5.832) 11.255 5.306 ( 25.715 0.000 11.602) 28.211 5.565 ( 13.730 0.000 14.669) 20.092 5.651 ( 0.761 0.000 14.111) 14.132 5.792 ( 16.435 0.000 2.393) 16.609 6.118 ( -2.261 0.000 3.851) 4.466 6.318 ( 19.018 0.000 6.856) 20.216 6.483 ( 6.850 0.000 -0.319) 6.857 6.726 ( 5.016 0.000 -0.977) 5.111 6.902 ( 7.264 0.000 -4.299) 8.440 6.918 ( 34.559 0.000 -11.181) 36.322 7.055 ( 33.014 0.000 -8.189) 34.014 7.416 ( 20.176 0.000 5.674) 20.958 7.579 ( 6.989 0.000 -2.550) 7.440 7.921 ( 32.650 0.000 2.145) 32.721 8.112 ( 10.558 0.000 5.703) 11.999 8.142 ( 3.888 0.000 4.652) 6.063 8.175 ( 16.982 0.000 -4.755) 17.636 8.346 ( 20.419 0.000 1.932) 20.510 8.381 ( 16.550 0.000 2.944) 16.810 8.546 ( -6.222 0.000 2.628) 6.754 8.579 ( 5.420 0.000 -0.313) 5.429 8.632 ( 7.301 0.000 0.250) 7.305 8.803 ( -2.653 0.000 -6.289) 6.826 9.002 ( 19.770 0.000 -3.809) 20.134 9.074 ( 8.409 0.000 9.322) 12.554 9.225 ( 29.907 0.000 -6.498) 30.604 9.414 ( 17.889 0.000 2.705) 18.092 9.488 ( 9.199 0.000 3.693) 9.912 9.598 ( 14.708 0.000 7.302) 16.421 9.622 ( 9.453 0.000 -6.344) 11.384 10.028 ( 13.450 0.000 -4.014) 14.036 10.217 ( 24.352 0.000 -12.571) 27.405 10.337 ( -6.394 0.000 -12.762) 14.274 10.584 ( -5.361 0.000 -3.824) 6.585 11.018 ( 4.003 0.000 -5.655) 6.928 11.044 ( 5.524 0.000 3.038) 6.304 11.065 ( 11.574 0.000 4.596) 12.453 11.235 ( 0.232 0.000 -4.890) 4.896 11.308 ( 2.691 0.000 -0.861) 2.826 11.582 ( 7.437 0.000 1.475) 7.582 11.656 ( -2.928 0.000 -0.141) 2.931 11.918 ( -6.643 0.000 3.420) 7.472 12.007 ( 1.018 0.000 -1.377) 1.712 12.220 ( -19.284 0.000 5.670) 20.101 12.248 ( 6.607 0.000 4.473) 7.979 12.404 ( -4.422 0.000 11.251) 12.089 12.499 ( 3.345 0.000 5.299) 6.266 12.534 ( -16.715 0.000 -0.241) 16.717 12.683 ( -10.782 0.000 1.487) 10.884 12.778 ( -6.775 0.000 4.394) 8.075 12.816 ( -5.318 0.000 -0.721) 5.367 12.950 ( -6.253 0.000 -9.775) 11.604 13.267 ( 1.003 0.000 -3.308) 3.457 13.398 ( -3.773 0.000 15.833) 16.276 13.934 ( -0.733 0.000 -0.400) 0.835 14.057 ( -4.272 0.000 -6.038) 7.396 14.201 ( -12.036 0.000 -10.732) 16.126 14.428 ( -22.169 0.000 5.241) 22.781 14.651 ( -33.444 0.000 9.249) 34.700 15.064 ( -3.643 0.000 -9.321) 10.008 15.184 ( -38.838 0.000 -15.514) 41.822 15.894 ( -17.085 0.000 14.760) 22.578 16.205 ( -17.948 0.000 10.114) 20.602 16.614 ( -12.034 0.000 -10.215) 15.785 16.644 ( -9.618 0.000 12.941) 16.124 16.675 ( -31.606 0.000 -1.393) 31.637 16.818 ( -25.081 0.000 0.882) 25.097 16.990 ( 5.862 0.000 -20.364) 21.191 17.360 ( -3.239 0.000 -16.860) 17.169 18.778 ( 15.735 0.000 21.595) 26.720 19.001 ( -13.435 0.000 4.837) 14.279 19.032 ( -7.347 0.000 -1.062) 7.424 19.138 ( -10.257 0.000 1.514) 10.368 19.199 ( 4.306 0.000 4.885) 6.512 19.221 ( -6.060 0.000 2.578) 6.586 19.450 ( -11.308 0.000 0.966) 11.349 19.452 ( -3.003 0.000 -4.146) 5.120 19.701 ( 2.006 0.000 2.734) 3.391 19.776 ( 1.394 0.000 -1.216) 1.850 19.954 ( 3.040 0.000 0.000) 3.040 20.025 ( -5.044 0.000 -0.173) 5.047 20.095 ( 1.839 0.000 -4.219) 4.602 20.156 ( -3.986 0.000 -4.076) 5.701 20.515 ( 1.303 0.000 1.875) 2.283 20.770 ( -1.895 0.000 -6.388) 6.663 20.857 ( -3.742 0.000 0.374) 3.760 20.948 ( -1.097 0.000 0.347) 1.151 20.979 ( -4.459 0.000 -0.657) 4.507 21.038 ( -4.092 0.000 2.846) 4.985 21.178 ( -7.166 0.000 2.629) 7.634 21.259 ( -15.715 0.000 -2.088) 15.853 21.395 ( -5.509 0.000 1.412) 5.687 21.647 ( -14.346 0.000 -6.370) 15.697 22.036 ( 4.633 0.000 1.627) 4.910 22.112 ( -2.927 0.000 2.016) 3.554 22.155 ( 2.943 0.000 -3.524) 4.591 22.184 ( 3.570 0.000 -0.971) 3.700 22.263 ( -6.033 0.000 0.399) 6.046 22.346 ( 8.901 0.000 0.823) 8.939 22.468 ( 7.526 0.000 3.694) 8.384 22.529 ( -2.504 0.000 0.456) 2.545 22.549 ( 17.013 0.000 3.989) 17.474 22.767 ( 8.670 0.000 -5.214) 10.117 22.990 ( -2.545 0.000 2.703) 3.713 23.021 ( -8.736 0.000 0.512) 8.751 23.117 ( -6.499 0.000 3.820) 7.539 23.210 ( 1.303 0.000 2.444) 2.770 23.236 ( -5.800 0.000 -1.726) 6.051 23.264 ( -6.869 0.000 -2.521) 7.317 23.284 ( -9.895 0.000 -1.155) 9.963 23.474 ( -0.486 0.000 11.823) 11.833 23.485 ( -8.828 0.000 -6.187) 10.780 23.711 ( -5.727 0.000 1.823) 6.010 23.740 ( -9.289 0.000 9.011) 12.942 23.773 ( -0.913 0.000 -1.234) 1.535 23.871 ( 0.535 0.000 1.553) 1.643 24.157 ( 0.843 0.000 -6.792) 6.844 24.207 ( -2.932 0.000 -14.436) 14.731 24.307 ( -0.752 0.000 -11.099) 11.124 24.594 ( 8.999 0.000 -0.046) 8.999 24.659 ( 7.327 0.000 -0.743) 7.365 24.827 ( 10.228 0.000 4.411) 11.139 24.980 ( 6.360 0.000 1.935) 6.648 24.980 ( 5.404 0.000 2.275) 5.864 25.001 ( 8.138 0.000 -4.272) 9.191 25.139 ( -1.015 0.000 4.130) 4.253 25.271 ( 7.984 0.000 2.316) 8.314 25.552 ( 8.408 0.000 -0.160) 8.410 25.591 ( 3.766 0.000 0.079) 3.767 25.697 ( 7.196 0.000 1.348) 7.321 25.702 ( 7.676 0.000 -1.395) 7.802 25.862 ( 6.597 0.000 3.590) 7.511 25.977 ( -0.580 0.000 -0.115) 0.591 26.886 ( -5.768 0.000 2.463) 6.272 26.894 ( 3.734 0.000 1.556) 4.045 27.197 ( -11.771 0.000 -2.551) 12.044 27.257 ( -7.950 0.000 -3.887) 8.849 28.087 ( -24.228 0.000 2.143) 24.322 28.133 ( -21.809 0.000 0.639) 21.819 28.185 ( -23.866 0.000 0.595) 23.874 28.231 ( -22.863 0.000 -0.507) 22.868 30.225 ( 19.280 0.000 3.018) 19.514 30.461 ( 12.701 0.000 -7.031) 14.517 30.949 ( 23.929 0.000 4.603) 24.368 31.069 ( 3.270 0.000 3.822) 5.030 31.169 ( 6.473 0.000 0.691) 6.510 31.202 ( 18.007 0.000 -2.229) 18.145 31.557 ( 14.857 0.000 4.468) 15.515 31.867 ( 3.371 0.000 -6.390) 7.225 35.035 ( -0.878 0.000 -0.198) 0.900 35.064 ( -3.721 0.000 -1.849) 4.155 35.114 ( -4.550 0.000 0.074) 4.550 35.116 ( -4.818 0.000 -0.620) 4.858 35.399 ( -0.135 0.000 3.719) 3.722 35.588 ( -2.063 0.000 -4.104) 4.593 35.784 ( -7.987 0.000 3.633) 8.775 35.897 ( -7.147 0.000 -1.238) 7.253 39.470 ( 12.447 0.000 3.352) 12.890 39.584 ( 15.047 0.000 0.237) 15.049 39.667 ( 10.169 0.000 -6.089) 11.853 39.788 ( 6.251 0.000 -9.017) 10.972 40.101 ( 5.037 0.000 11.871) 12.895 40.418 ( 5.682 0.000 11.831) 13.125 40.495 ( 22.400 0.000 5.964) 23.180 40.682 ( 3.577 0.000 -11.019) 11.585 40.892 ( 14.469 0.000 -7.673) 16.377 41.027 ( 17.060 0.000 -12.838) 21.351 41.257 ( 14.468 0.000 10.566) 17.915 41.552 ( 3.539 0.000 5.856) 6.843 41.676 ( 11.972 0.000 -6.270) 13.514 41.756 ( -16.371 0.000 -0.924) 16.397 42.033 ( 9.016 0.000 9.693) 13.238 42.484 ( -2.677 0.000 -9.460) 9.832 97.709 ( 23.954 0.000 0.319) 23.956 97.723 ( 23.699 0.000 -0.251) 23.700 97.876 ( 24.301 0.000 3.888) 24.610 98.166 ( 18.354 0.000 -7.727) 19.914 99.868 ( -13.326 0.000 0.671) 13.343 99.901 ( -13.754 0.000 -0.569) 13.765 99.948 ( -12.931 0.000 4.122) 13.572 100.092 ( -16.958 0.000 -1.823) 17.056 ======================= Grid point 59 (23/54) ======================= q-point: ( 0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.832 ( 23.724 0.000 7.818) 24.979 4.001 ( 13.878 0.000 4.001) 14.443 4.282 ( 23.938 0.000 -4.655) 24.386 4.305 ( 5.062 0.000 -8.278) 9.703 4.454 ( 12.033 0.000 -7.860) 14.373 4.517 ( 11.604 0.000 -16.446) 20.128 4.640 ( 3.680 0.000 -3.181) 4.865 4.713 ( -1.368 0.000 -1.924) 2.361 4.900 ( 6.373 0.000 9.801) 11.691 5.374 ( 8.552 0.000 10.250) 13.350 5.375 ( 10.231 0.000 -10.001) 14.307 5.699 ( 1.012 0.000 13.922) 13.959 5.706 ( 1.386 0.000 4.290) 4.508 5.874 ( 20.949 0.000 -0.925) 20.969 6.051 ( 16.383 0.000 5.868) 17.402 6.054 ( -0.283 0.000 10.072) 10.076 6.461 ( -2.277 0.000 2.115) 3.108 6.479 ( -6.667 0.000 0.503) 6.686 6.671 ( -10.091 0.000 9.190) 13.649 7.200 ( 10.431 0.000 -13.445) 17.017 7.509 ( -1.554 0.000 -0.641) 1.681 7.543 ( 24.904 0.000 -14.041) 28.590 7.697 ( 28.506 0.000 2.310) 28.599 7.937 ( 30.967 0.000 -2.186) 31.044 8.241 ( -0.475 0.000 0.440) 0.647 8.329 ( 13.654 0.000 3.063) 13.993 8.348 ( 3.024 0.000 1.222) 3.262 8.414 ( 4.952 0.000 4.444) 6.654 8.483 ( 14.978 0.000 -1.558) 15.059 8.587 ( 0.456 0.000 -6.229) 6.246 8.679 ( 4.241 0.000 5.201) 6.711 8.727 ( 9.832 0.000 0.148) 9.833 8.740 ( -0.363 0.000 1.646) 1.686 8.847 ( 18.637 0.000 -2.380) 18.788 9.233 ( 6.220 0.000 3.003) 6.907 9.234 ( 3.532 0.000 6.666) 7.544 9.474 ( 1.653 0.000 -1.844) 2.476 9.749 ( 7.961 0.000 -6.937) 10.559 9.851 ( 13.199 0.000 -7.135) 15.004 10.077 ( 21.185 0.000 3.522) 21.476 10.110 ( 14.131 0.000 3.048) 14.456 10.294 ( 10.447 0.000 -2.093) 10.654 10.322 ( 20.968 0.000 -9.765) 23.130 10.513 ( 6.236 0.000 7.793) 9.981 10.657 ( 6.967 0.000 -9.115) 11.473 10.977 ( -8.099 0.000 -9.364) 12.381 11.057 ( 0.590 0.000 9.335) 9.354 11.140 ( -2.751 0.000 -3.637) 4.560 11.214 ( -4.573 0.000 7.901) 9.129 11.309 ( -0.374 0.000 -4.508) 4.523 11.541 ( -15.682 0.000 -0.061) 15.682 11.656 ( 2.958 0.000 -6.918) 7.524 11.775 ( -11.929 0.000 4.389) 12.711 11.928 ( 1.462 0.000 2.192) 2.635 11.980 ( -10.972 0.000 -2.656) 11.289 12.045 ( -16.193 0.000 0.341) 16.196 12.373 ( 1.052 0.000 14.641) 14.679 12.383 ( 13.983 0.000 -0.189) 13.984 12.524 ( -6.872 0.000 12.467) 14.236 12.657 ( 2.586 0.000 1.378) 2.930 12.814 ( 2.703 0.000 4.497) 5.247 12.879 ( 15.961 0.000 -10.161) 18.921 13.010 ( 17.910 0.000 -4.397) 18.442 13.275 ( -1.749 0.000 -2.901) 3.388 13.439 ( 2.963 0.000 6.970) 7.574 13.684 ( -16.222 0.000 5.500) 17.129 13.892 ( -8.799 0.000 7.242) 11.396 13.968 ( -4.605 0.000 -12.276) 13.111 14.224 ( 0.203 0.000 -14.785) 14.786 14.512 ( 0.753 0.000 3.275) 3.361 14.547 ( -15.881 0.000 -7.040) 17.372 15.134 ( -3.833 0.000 -20.711) 21.063 15.351 ( -16.447 0.000 23.285) 28.508 15.916 ( -28.625 0.000 4.683) 29.006 16.010 ( -8.300 0.000 9.997) 12.994 16.184 ( -17.015 0.000 -11.867) 20.745 16.280 ( -17.819 0.000 6.578) 18.995 16.646 ( 3.494 0.000 19.074) 19.392 17.029 ( -23.079 0.000 -15.974) 28.068 17.477 ( 17.268 0.000 -17.176) 24.355 18.486 ( -36.500 0.000 9.428) 37.698 18.678 ( -24.687 0.000 1.502) 24.733 18.823 ( -22.888 0.000 -4.970) 23.421 18.859 ( -17.841 0.000 -4.534) 18.408 19.190 ( 21.321 0.000 2.236) 21.438 19.209 ( -1.371 0.000 1.206) 1.826 19.351 ( 4.519 0.000 6.385) 7.822 19.509 ( 6.650 0.000 0.690) 6.686 19.738 ( -4.069 0.000 2.913) 5.005 19.812 ( 6.354 0.000 -0.009) 6.354 20.002 ( 2.484 0.000 0.045) 2.485 20.029 ( 1.185 0.000 -1.614) 2.002 20.080 ( -3.349 0.000 -0.229) 3.357 20.098 ( -0.032 0.000 -0.382) 0.384 20.408 ( -10.768 0.000 1.806) 10.918 20.563 ( -14.493 0.000 -2.520) 14.710 20.857 ( 0.023 0.000 2.996) 2.996 20.932 ( 0.477 0.000 3.352) 3.385 20.981 ( 2.759 0.000 -3.740) 4.647 20.994 ( 2.603 0.000 -0.774) 2.716 21.091 ( -3.851 0.000 -1.913) 4.300 21.106 ( -0.021 0.000 1.121) 1.121 21.317 ( -2.285 0.000 0.419) 2.323 21.450 ( -5.601 0.000 -5.630) 7.941 22.043 ( -1.725 0.000 1.196) 2.099 22.123 ( 1.455 0.000 1.738) 2.267 22.144 ( -1.762 0.000 -2.919) 3.410 22.178 ( 0.101 0.000 1.853) 1.856 22.203 ( -1.475 0.000 -0.513) 1.562 22.351 ( -1.802 0.000 -5.335) 5.631 22.679 ( 9.284 0.000 4.115) 10.155 22.738 ( 8.886 0.000 3.165) 9.433 22.801 ( -7.334 0.000 1.784) 7.547 22.803 ( 4.085 0.000 -0.539) 4.121 22.891 ( -4.259 0.000 1.475) 4.507 22.907 ( 1.118 0.000 1.943) 2.241 22.966 ( -15.033 0.000 -0.603) 15.046 23.013 ( -3.038 0.000 -0.277) 3.051 23.072 ( -7.170 0.000 -4.226) 8.323 23.073 ( -8.252 0.000 2.229) 8.548 23.362 ( 6.279 0.000 -1.189) 6.390 23.479 ( 4.190 0.000 -4.004) 5.796 23.512 ( 2.682 0.000 8.162) 8.592 23.545 ( -3.067 0.000 8.985) 9.495 23.754 ( -2.494 0.000 -2.856) 3.791 23.855 ( 13.368 0.000 5.944) 14.630 23.934 ( -0.439 0.000 -1.045) 1.134 24.178 ( 13.147 0.000 -6.950) 14.871 24.189 ( 0.051 0.000 -9.152) 9.153 24.262 ( -0.386 0.000 -6.969) 6.979 24.790 ( 9.947 0.000 0.014) 9.947 24.822 ( 8.649 0.000 -0.449) 8.660 25.014 ( -2.559 0.000 1.353) 2.895 25.020 ( 6.546 0.000 1.167) 6.649 25.028 ( 1.064 0.000 3.978) 4.118 25.151 ( 4.994 0.000 -3.991) 6.393 25.164 ( 1.425 0.000 0.205) 1.440 25.371 ( 2.345 0.000 -5.045) 5.564 25.615 ( -1.803 0.000 2.155) 2.810 25.632 ( 1.392 0.000 0.705) 1.561 25.809 ( 0.197 0.000 3.602) 3.607 25.894 ( 10.290 0.000 -0.191) 10.292 25.963 ( 3.909 0.000 2.374) 4.573 25.998 ( 1.911 0.000 1.784) 2.615 26.781 ( -3.410 0.000 6.178) 7.056 26.973 ( 4.032 0.000 -2.459) 4.723 27.019 ( -4.927 0.000 -1.589) 5.177 27.161 ( -1.883 0.000 -5.563) 5.873 27.573 ( -25.037 0.000 2.753) 25.188 27.677 ( -21.443 0.000 1.775) 21.516 27.696 ( -22.356 0.000 -1.163) 22.386 27.734 ( -24.692 0.000 0.313) 24.693 30.625 ( 18.872 0.000 0.177) 18.872 30.703 ( 10.652 0.000 -3.924) 11.352 31.074 ( -1.412 0.000 6.712) 6.859 31.237 ( 1.166 0.000 -0.862) 1.450 31.385 ( 16.888 0.000 3.888) 17.330 31.556 ( 14.950 0.000 -2.557) 15.167 31.801 ( 8.147 0.000 -0.147) 8.148 31.895 ( -0.709 0.000 -3.512) 3.583 34.994 ( -2.735 0.000 -0.378) 2.761 35.010 ( -1.461 0.000 0.091) 1.464 35.030 ( -3.335 0.000 -0.142) 3.338 35.032 ( -3.430 0.000 0.565) 3.476 35.433 ( 3.294 0.000 1.995) 3.851 35.562 ( -0.344 0.000 -3.096) 3.115 35.668 ( -3.701 0.000 2.439) 4.432 35.758 ( -6.327 0.000 -1.373) 6.475 39.743 ( 13.881 0.000 1.326) 13.944 39.861 ( 8.148 0.000 -3.118) 8.724 39.914 ( 6.358 0.000 -3.518) 7.266 39.923 ( 17.664 0.000 -2.022) 17.779 40.160 ( 1.155 0.000 7.698) 7.784 40.435 ( -3.322 0.000 10.943) 11.436 40.528 ( -8.856 0.000 -7.047) 11.317 40.894 ( 1.864 0.000 -4.011) 4.423 41.124 ( 11.641 0.000 -3.855) 12.263 41.354 ( 14.175 0.000 -7.008) 15.813 41.507 ( -3.473 0.000 7.042) 7.852 41.631 ( 17.540 0.000 6.595) 18.739 41.639 ( 4.142 0.000 0.666) 4.195 41.933 ( 11.920 0.000 -6.752) 13.700 42.181 ( 4.892 0.000 5.507) 7.366 42.393 ( -6.097 0.000 -3.789) 7.179 98.216 ( 25.003 0.000 0.103) 25.003 98.221 ( 24.414 0.000 -0.090) 24.414 98.372 ( 23.883 0.000 2.795) 24.046 98.550 ( 19.050 0.000 -4.083) 19.483 99.554 ( -17.261 0.000 0.534) 17.269 99.578 ( -17.589 0.000 -0.431) 17.594 99.659 ( -15.344 0.000 1.615) 15.428 99.721 ( -19.242 0.000 -0.828) 19.260 ======================= Grid point 60 (24/54) ======================= q-point: ( 0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.219 ( 11.248 0.000 1.176) 11.310 4.219 ( 12.830 0.000 1.500) 12.917 4.369 ( -0.692 0.000 -2.176) 2.283 4.446 ( -10.897 0.000 -0.094) 10.897 4.620 ( 4.026 0.000 -3.276) 5.190 4.672 ( -1.801 0.000 -4.384) 4.739 4.685 ( 10.876 0.000 -10.774) 15.309 4.742 ( 4.284 0.000 -12.911) 13.603 5.187 ( 15.503 0.000 8.746) 17.800 5.434 ( -6.625 0.000 7.685) 10.146 5.554 ( 7.145 0.000 -5.877) 9.252 5.671 ( -4.105 0.000 -1.798) 4.481 5.782 ( 12.719 0.000 15.449) 20.011 6.077 ( -6.821 0.000 18.869) 20.064 6.117 ( 8.898 0.000 -3.250) 9.473 6.284 ( -5.593 0.000 0.186) 5.596 6.291 ( -2.480 0.000 1.323) 2.811 6.438 ( -10.758 0.000 10.558) 15.074 6.586 ( 21.281 0.000 3.183) 21.518 7.010 ( -18.563 0.000 -3.123) 18.824 7.726 ( 14.850 0.000 -10.222) 18.028 7.994 ( 19.323 0.000 -14.441) 24.123 7.997 ( -9.955 0.000 -6.253) 11.755 8.315 ( -9.027 0.000 -7.065) 11.463 8.315 ( 17.441 0.000 6.030) 18.454 8.443 ( 8.376 0.000 -5.060) 9.786 8.479 ( 0.557 0.000 2.922) 2.974 8.537 ( 10.439 0.000 3.465) 10.999 8.584 ( -4.573 0.000 -2.386) 5.158 8.702 ( 16.431 0.000 -0.962) 16.459 8.722 ( -2.360 0.000 10.105) 10.377 8.846 ( 1.893 0.000 5.754) 6.057 8.995 ( 16.410 0.000 -0.107) 16.410 9.164 ( 10.619 0.000 1.897) 10.787 9.233 ( -4.482 0.000 9.535) 10.536 9.275 ( -2.083 0.000 3.494) 4.068 9.572 ( 11.328 0.000 -3.357) 11.815 9.838 ( 1.619 0.000 -11.765) 11.875 9.915 ( -17.652 0.000 -12.729) 21.763 9.931 ( -2.974 0.000 -17.959) 18.204 10.409 ( 9.304 0.000 2.904) 9.747 10.541 ( -0.658 0.000 0.574) 0.873 10.550 ( 0.603 0.000 5.011) 5.047 10.568 ( 11.164 0.000 8.953) 14.311 10.723 ( 5.112 0.000 6.480) 8.253 10.909 ( -14.395 0.000 2.079) 14.544 10.935 ( -9.281 0.000 -2.734) 9.676 10.996 ( -12.502 0.000 6.398) 14.043 11.188 ( -3.634 0.000 3.081) 4.764 11.249 ( 19.230 0.000 -9.944) 21.649 11.293 ( -8.018 0.000 2.641) 8.441 11.576 ( -9.460 0.000 -6.830) 11.668 11.722 ( 0.759 0.000 -3.394) 3.478 11.866 ( -8.533 0.000 5.148) 9.965 11.890 ( 9.983 0.000 -0.549) 9.998 12.010 ( 2.961 0.000 -4.239) 5.170 12.326 ( -7.177 0.000 14.569) 16.241 12.382 ( -4.355 0.000 5.418) 6.951 12.739 ( 16.054 0.000 -7.401) 17.677 12.785 ( 10.580 0.000 12.695) 16.525 12.889 ( 1.579 0.000 13.408) 13.500 13.007 ( -7.796 0.000 -10.011) 12.688 13.320 ( 12.170 0.000 -6.983) 14.031 13.476 ( 8.524 0.000 5.151) 9.960 13.477 ( 9.436 0.000 -13.147) 16.183 13.644 ( -2.828 0.000 9.954) 10.348 13.752 ( 4.412 0.000 4.912) 6.603 13.923 ( -2.140 0.000 -3.973) 4.512 14.270 ( -1.480 0.000 -7.156) 7.308 14.294 ( 5.315 0.000 -16.119) 16.972 14.459 ( -14.178 0.000 -0.785) 14.199 14.634 ( -26.079 0.000 -10.581) 28.143 15.411 ( 10.250 0.000 14.271) 17.570 15.740 ( 13.978 0.000 0.169) 13.979 15.805 ( -23.604 0.000 17.881) 29.612 16.264 ( 26.564 0.000 -4.177) 26.891 16.281 ( -1.606 0.000 -7.862) 8.025 16.400 ( -3.113 0.000 -3.327) 4.556 16.703 ( -7.287 0.000 14.613) 16.329 17.241 ( -44.714 0.000 -7.675) 45.368 18.169 ( 13.292 0.000 -1.100) 13.337 18.221 ( -11.127 0.000 -2.109) 11.325 18.356 ( -19.267 0.000 0.476) 19.273 18.513 ( -17.022 0.000 -5.020) 17.747 19.278 ( 6.498 0.000 4.551) 7.934 19.395 ( -2.655 0.000 8.556) 8.959 19.567 ( 11.739 0.000 -5.691) 13.046 19.654 ( 4.349 0.000 -1.154) 4.500 19.729 ( 5.773 0.000 2.374) 6.242 19.918 ( 8.228 0.000 -5.763) 10.045 19.933 ( -10.987 0.000 2.450) 11.257 20.068 ( 3.802 0.000 0.868) 3.900 20.077 ( 4.360 0.000 0.999) 4.473 20.111 ( -0.955 0.000 -0.167) 0.969 20.192 ( -7.805 0.000 1.160) 7.890 20.236 ( -16.832 0.000 -4.222) 17.353 20.880 ( 2.868 0.000 3.799) 4.760 20.968 ( -4.991 0.000 1.771) 5.296 20.969 ( 2.553 0.000 1.301) 2.865 21.009 ( -0.697 0.000 -1.751) 1.885 21.140 ( 6.866 0.000 -1.223) 6.974 21.180 ( 6.637 0.000 -0.587) 6.663 21.262 ( -4.162 0.000 -0.157) 4.165 21.330 ( -7.023 0.000 -3.509) 7.851 22.055 ( 2.556 0.000 0.569) 2.618 22.112 ( -2.243 0.000 0.827) 2.391 22.121 ( 0.221 0.000 -1.841) 1.854 22.155 ( -2.552 0.000 -0.450) 2.591 22.287 ( 10.275 0.000 0.889) 10.313 22.387 ( 5.448 0.000 -3.234) 6.335 22.559 ( -10.710 0.000 0.266) 10.713 22.568 ( -15.972 0.000 -0.026) 15.972 22.800 ( 1.111 0.000 1.306) 1.715 22.827 ( 1.656 0.000 0.669) 1.786 22.837 ( 0.335 0.000 0.482) 0.587 22.873 ( -0.171 0.000 2.105) 2.112 22.902 ( -5.232 0.000 1.625) 5.478 22.950 ( -4.975 0.000 3.382) 6.015 22.978 ( 0.332 0.000 -1.706) 1.738 23.003 ( -0.535 0.000 -1.904) 1.978 23.466 ( 5.643 0.000 3.910) 6.866 23.544 ( -0.930 0.000 7.855) 7.910 23.606 ( 6.584 0.000 -1.983) 6.876 23.667 ( 11.396 0.000 1.645) 11.514 23.704 ( -3.010 0.000 -0.667) 3.083 23.892 ( -8.712 0.000 0.011) 8.712 23.924 ( 3.687 0.000 -4.310) 5.671 24.065 ( -7.724 0.000 -6.780) 10.278 24.515 ( 20.344 0.000 0.795) 20.360 24.698 ( 24.548 0.000 -6.849) 25.486 24.861 ( -12.065 0.000 1.910) 12.215 24.978 ( -3.414 0.000 -1.934) 3.923 25.018 ( 11.833 0.000 1.372) 11.913 25.045 ( 10.858 0.000 1.358) 10.942 25.106 ( 2.394 0.000 4.095) 4.743 25.167 ( 0.283 0.000 -1.923) 1.944 25.192 ( -2.235 0.000 -1.009) 2.452 25.396 ( 1.029 0.000 -7.440) 7.511 25.482 ( -19.557 0.000 -0.725) 19.570 25.489 ( -8.619 0.000 -1.633) 8.772 25.838 ( 7.574 0.000 6.879) 10.232 25.984 ( -3.694 0.000 3.817) 5.312 26.059 ( 4.033 0.000 -1.245) 4.220 26.067 ( 4.017 0.000 1.161) 4.181 26.803 ( 7.280 0.000 6.938) 10.056 27.022 ( 5.505 0.000 0.572) 5.535 27.085 ( 7.427 0.000 -3.389) 8.164 27.100 ( -19.732 0.000 4.224) 20.179 27.167 ( 2.876 0.000 -5.332) 6.058 27.275 ( -18.388 0.000 1.551) 18.453 27.302 ( -13.978 0.000 -0.326) 13.982 27.328 ( -12.806 0.000 -3.135) 13.184 30.892 ( 7.686 0.000 0.554) 7.706 30.968 ( 13.928 0.000 -1.770) 14.040 31.016 ( -4.362 0.000 4.639) 6.368 31.181 ( -6.580 0.000 -1.925) 6.856 31.669 ( 10.768 0.000 2.295) 11.010 31.795 ( 8.093 0.000 -2.375) 8.434 31.833 ( -5.400 0.000 -0.178) 5.403 31.882 ( -0.228 0.000 -1.872) 1.885 34.961 ( -0.443 0.000 0.592) 0.739 34.976 ( -1.882 0.000 0.930) 2.099 34.983 ( -0.848 0.000 0.090) 0.853 34.985 ( -1.020 0.000 0.373) 1.086 35.522 ( 5.108 0.000 0.484) 5.131 35.574 ( 1.380 0.000 -1.439) 1.993 35.612 ( -2.178 0.000 0.286) 2.197 35.635 ( -5.757 0.000 -0.657) 5.795 39.986 ( 4.348 0.000 0.387) 4.365 40.024 ( 2.006 0.000 4.240) 4.691 40.030 ( 13.864 0.000 -1.181) 13.915 40.194 ( 3.983 0.000 1.991) 4.453 40.281 ( 4.634 0.000 -5.615) 7.280 40.321 ( 1.562 0.000 -2.882) 3.278 40.321 ( -6.892 0.000 6.191) 9.264 40.673 ( -16.982 0.000 -7.895) 18.727 41.374 ( 9.562 0.000 3.944) 10.344 41.485 ( -1.622 0.000 6.029) 6.243 41.587 ( 8.119 0.000 -4.040) 9.069 41.679 ( -0.906 0.000 -2.155) 2.338 41.976 ( 14.794 0.000 3.080) 15.111 42.135 ( 7.296 0.000 -3.426) 8.060 42.222 ( -1.069 0.000 0.748) 1.305 42.230 ( -10.014 0.000 0.039) 10.014 98.712 ( 23.134 0.000 0.130) 23.134 98.720 ( 23.717 0.000 -0.173) 23.717 98.851 ( 22.704 0.000 1.519) 22.755 98.942 ( 18.758 0.000 -1.954) 18.860 99.164 ( -20.461 0.000 0.429) 20.466 99.182 ( -20.950 0.000 -0.275) 20.952 99.305 ( -21.208 0.000 0.376) 21.212 99.320 ( -17.571 0.000 -0.179) 17.572 ======================= Grid point 66 (25/54) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 0.000 23.857 30.919) 39.053 1.529 ( 0.000 24.904 46.375) 52.639 2.054 ( 0.000 44.176 35.028) 56.378 2.865 ( 0.000 -7.536 21.017) 22.327 3.022 ( 0.000 -9.577 -6.432) 11.537 3.519 ( 0.000 -28.477 -22.919) 36.554 3.670 ( 0.000 -5.048 -29.439) 29.869 3.729 ( 0.000 0.691 -47.460) 47.465 3.982 ( 0.000 10.862 -20.292) 23.016 3.995 ( 0.000 25.821 26.893) 37.282 4.248 ( 0.000 -14.494 -32.255) 35.362 4.604 ( 0.000 -12.446 0.760) 12.469 4.946 ( 0.000 -13.475 10.445) 17.049 4.989 ( 0.000 12.658 -3.769) 13.207 5.119 ( 0.000 12.951 -8.425) 15.450 5.449 ( 0.000 0.843 12.155) 12.185 5.621 ( 0.000 8.256 2.137) 8.528 5.835 ( 0.000 -6.500 42.418) 42.913 5.951 ( 0.000 -4.640 7.175) 8.545 6.142 ( 0.000 9.106 -7.407) 11.739 6.470 ( 0.000 -3.453 18.669) 18.986 6.649 ( 0.000 0.835 2.269) 2.418 6.675 ( 0.000 12.133 15.642) 19.796 7.106 ( 0.000 0.469 12.702) 12.710 7.138 ( 0.000 -11.880 2.347) 12.110 7.170 ( 0.000 0.263 -13.385) 13.387 7.433 ( 0.000 -17.267 -5.642) 18.166 7.751 ( 0.000 10.068 -5.920) 11.680 7.887 ( 0.000 -3.516 -4.383) 5.619 7.907 ( 0.000 -1.248 -5.013) 5.166 7.992 ( 0.000 -3.016 6.590) 7.247 8.032 ( 0.000 -5.418 -12.658) 13.769 8.575 ( 0.000 7.611 -17.081) 18.700 8.603 ( 0.000 -11.246 -17.807) 21.061 8.698 ( 0.000 12.750 4.689) 13.584 8.890 ( 0.000 -4.909 -7.693) 9.126 9.015 ( 0.000 -8.313 -4.912) 9.655 9.255 ( 0.000 -5.576 10.160) 11.590 9.292 ( 0.000 6.537 -6.877) 9.488 9.464 ( 0.000 10.570 1.719) 10.709 9.600 ( 0.000 -10.085 -5.878) 11.673 9.665 ( 0.000 -11.808 7.894) 14.204 9.817 ( 0.000 -7.214 3.617) 8.069 9.990 ( 0.000 -0.877 -12.523) 12.554 10.429 ( 0.000 15.857 5.415) 16.756 10.653 ( 0.000 -2.309 1.405) 2.702 10.884 ( 0.000 0.868 -6.041) 6.104 10.942 ( 0.000 4.104 -7.222) 8.306 11.111 ( 0.000 -5.437 6.948) 8.822 11.157 ( 0.000 -8.407 28.933) 30.130 11.478 ( 0.000 4.733 11.159) 12.121 11.592 ( 0.000 15.634 3.293) 15.977 11.691 ( 0.000 -7.391 2.242) 7.724 12.113 ( 0.000 1.464 -4.499) 4.731 12.157 ( 0.000 7.871 -0.713) 7.904 12.354 ( 0.000 -3.076 -3.005) 4.300 12.609 ( 0.000 -2.230 -3.033) 3.765 12.809 ( 0.000 -4.478 4.338) 6.235 12.891 ( 0.000 -7.531 -0.023) 7.531 12.908 ( 0.000 1.871 5.773) 6.069 13.091 ( 0.000 -1.077 2.547) 2.765 13.324 ( 0.000 1.480 -7.143) 7.294 13.338 ( 0.000 7.273 1.097) 7.356 13.580 ( 0.000 12.129 -11.598) 16.782 14.072 ( 0.000 -6.315 12.168) 13.709 14.652 ( 0.000 -10.841 -4.204) 11.628 14.653 ( 0.000 17.663 0.476) 17.670 15.125 ( 0.000 1.527 13.262) 13.350 15.194 ( 0.000 0.967 5.068) 5.159 15.403 ( 0.000 -4.316 -17.622) 18.143 15.723 ( 0.000 -1.909 12.977) 13.116 16.224 ( 0.000 2.835 -31.738) 31.865 16.336 ( 0.000 -9.927 4.764) 11.011 16.433 ( 0.000 -6.115 -18.255) 19.252 16.679 ( 0.000 6.530 -19.944) 20.986 17.383 ( 0.000 -9.969 -21.709) 23.889 17.736 ( 0.000 2.389 32.003) 32.092 17.901 ( 0.000 -1.087 31.040) 31.059 18.028 ( 0.000 9.460 24.019) 25.815 18.579 ( 0.000 -1.718 9.859) 10.007 18.690 ( 0.000 -3.261 18.894) 19.174 18.776 ( 0.000 1.070 -13.845) 13.887 18.846 ( 0.000 -4.245 -1.840) 4.627 18.995 ( 0.000 -2.837 -15.853) 16.105 19.099 ( 0.000 4.708 -14.599) 15.340 19.182 ( 0.000 1.535 0.329) 1.569 19.193 ( 0.000 2.753 1.948) 3.373 19.537 ( 0.000 -4.045 -12.058) 12.718 19.563 ( 0.000 3.434 3.520) 4.917 19.662 ( 0.000 3.439 6.722) 7.551 19.822 ( 0.000 -0.807 -2.873) 2.985 20.005 ( 0.000 -6.864 -0.577) 6.889 20.103 ( 0.000 -11.289 -0.488) 11.299 20.300 ( 0.000 -3.483 3.894) 5.225 20.303 ( 0.000 8.133 -12.826) 15.188 20.524 ( 0.000 0.494 -6.440) 6.459 20.868 ( 0.000 3.143 6.176) 6.930 21.178 ( 0.000 -4.899 6.499) 8.139 21.260 ( 0.000 2.646 -11.659) 11.956 21.404 ( 0.000 0.740 2.695) 2.794 21.561 ( 0.000 0.563 3.941) 3.981 21.686 ( 0.000 -3.407 -4.561) 5.693 21.750 ( 0.000 0.141 -2.908) 2.911 21.914 ( 0.000 3.670 -8.949) 9.673 21.956 ( 0.000 3.640 8.969) 9.680 22.105 ( 0.000 1.829 3.651) 4.084 22.159 ( 0.000 -3.810 4.488) 5.887 22.211 ( 0.000 -5.339 3.763) 6.532 22.293 ( 0.000 0.621 4.443) 4.486 22.530 ( 0.000 7.001 -3.797) 7.964 22.544 ( 0.000 -4.443 4.502) 6.325 22.828 ( 0.000 -1.118 3.941) 4.096 23.010 ( 0.000 -4.345 -12.387) 13.127 23.011 ( 0.000 2.925 3.176) 4.317 23.114 ( 0.000 -3.673 2.310) 4.339 23.151 ( 0.000 4.336 1.205) 4.500 23.204 ( 0.000 7.925 1.413) 8.050 23.241 ( 0.000 0.645 3.207) 3.271 23.296 ( 0.000 -2.005 -4.361) 4.800 23.324 ( 0.000 4.831 -1.849) 5.173 23.414 ( 0.000 -1.595 -1.763) 2.378 23.425 ( 0.000 11.655 -5.776) 13.008 23.648 ( 0.000 4.499 9.890) 10.865 23.678 ( 0.000 -2.664 3.766) 4.613 23.944 ( 0.000 9.635 12.718) 15.956 24.115 ( 0.000 -7.607 11.739) 13.988 24.235 ( 0.000 4.889 -6.301) 7.976 24.267 ( 0.000 -1.656 -13.239) 13.342 24.438 ( 0.000 7.144 -7.729) 10.525 24.443 ( 0.000 -2.787 0.646) 2.861 24.514 ( 0.000 -1.099 -1.412) 1.789 24.537 ( 0.000 0.345 -1.343) 1.387 24.558 ( 0.000 -0.582 1.984) 2.067 24.606 ( 0.000 0.636 -0.372) 0.737 24.694 ( 0.000 -2.023 -1.250) 2.378 24.718 ( 0.000 -0.055 -2.639) 2.640 24.742 ( 0.000 0.481 -1.758) 1.823 24.882 ( 0.000 7.031 -9.467) 11.792 24.915 ( 0.000 -3.853 -2.091) 4.384 24.972 ( 0.000 0.386 -2.053) 2.089 25.210 ( 0.000 4.538 0.335) 4.550 25.439 ( 0.000 8.964 -10.242) 13.611 25.482 ( 0.000 -11.320 21.140) 23.980 26.322 ( 0.000 -8.036 -14.678) 16.734 27.090 ( 0.000 1.100 1.742) 2.061 27.234 ( 0.000 7.188 -4.513) 8.487 27.449 ( 0.000 -13.936 9.972) 17.136 27.793 ( 0.000 -5.998 -11.113) 12.628 28.987 ( 0.000 -0.179 0.887) 0.905 29.012 ( 0.000 0.879 -0.196) 0.900 29.016 ( 0.000 -0.233 1.625) 1.642 29.086 ( 0.000 -3.643 1.524) 3.949 29.565 ( 0.000 1.474 5.350) 5.550 29.628 ( 0.000 0.170 10.573) 10.574 29.871 ( 0.000 1.977 -6.383) 6.682 30.139 ( 0.000 -2.949 -10.962) 11.352 30.635 ( 0.000 6.923 10.582) 12.646 30.951 ( 0.000 11.903 -2.978) 12.269 31.143 ( 0.000 -4.078 8.794) 9.694 31.516 ( 0.000 -4.454 -5.338) 6.952 35.117 ( 0.000 3.127 3.602) 4.770 35.384 ( 0.000 7.194 1.051) 7.271 35.418 ( 0.000 2.671 0.684) 2.757 35.485 ( 0.000 15.892 -19.542) 25.188 35.516 ( 0.000 1.650 4.282) 4.589 35.790 ( 0.000 2.734 -5.653) 6.280 36.284 ( 0.000 -12.051 2.068) 12.227 36.362 ( 0.000 -12.485 0.447) 12.493 38.964 ( 0.000 0.351 3.949) 3.965 39.038 ( 0.000 -2.036 2.995) 3.622 39.174 ( 0.000 -2.270 6.716) 7.089 39.260 ( 0.000 1.483 -6.711) 6.873 39.319 ( 0.000 3.709 2.227) 4.327 39.705 ( 0.000 -5.367 12.038) 13.180 39.801 ( 0.000 -1.271 8.545) 8.639 40.002 ( 0.000 -35.117 32.683) 47.973 40.023 ( 0.000 -6.704 5.182) 8.473 40.123 ( 0.000 -1.435 -4.433) 4.660 40.387 ( 0.000 2.440 -32.407) 32.499 40.866 ( 0.000 -14.215 -11.952) 18.572 41.529 ( 0.000 10.283 22.059) 24.338 41.702 ( 0.000 0.913 27.982) 27.997 42.529 ( 0.000 2.927 -10.591) 10.989 42.579 ( 0.000 17.434 -29.555) 34.314 96.809 ( 0.000 0.088 -0.003) 0.088 96.809 ( 0.000 0.156 -0.028) 0.158 96.816 ( 0.000 -0.077 0.044) 0.089 96.821 ( 0.000 0.000 -0.259) 0.259 100.282 ( 0.000 -0.062 2.031) 2.032 100.374 ( 0.000 3.084 -1.470) 3.417 100.486 ( 0.000 -11.610 11.909) 16.632 100.694 ( 0.000 -4.872 -1.562) 5.116 ======================= Grid point 67 (26/54) ======================= q-point: ( 0.09 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 38.952 17.542 21.730) 47.929 2.102 ( 34.126 32.189 28.744) 55.018 2.875 ( 66.833 18.027 14.322) 70.688 3.258 ( 24.403 -5.894 -5.609) 25.724 3.407 ( 21.112 -17.259 -5.225) 27.765 3.578 ( 23.743 -4.538 -15.571) 28.754 3.770 ( 19.493 -1.111 -17.414) 26.163 4.072 ( 14.638 -1.979 -25.764) 29.698 4.173 ( 25.860 11.981 5.766) 29.078 4.226 ( 15.763 7.137 -0.811) 17.323 4.417 ( 23.835 2.519 -12.814) 27.178 4.839 ( -1.896 -11.188 5.637) 12.671 4.903 ( -5.224 10.019 -2.324) 11.536 4.930 ( 24.678 -13.021 -6.773) 28.713 5.237 ( 8.277 -2.174 3.371) 9.198 5.560 ( 9.210 -0.870 6.739) 11.445 5.684 ( 9.680 8.081 7.634) 14.741 6.008 ( -1.589 1.863 4.858) 5.441 6.026 ( 11.471 -6.315 19.091) 23.150 6.107 ( 10.668 -0.409 -2.982) 11.085 6.430 ( -5.230 12.085 19.375) 23.427 6.715 ( 11.567 3.473 -0.076) 12.077 6.842 ( 8.211 7.129 6.677) 12.761 7.032 ( 0.311 -7.076 9.570) 11.906 7.153 ( 2.283 -3.627 -9.677) 10.584 7.318 ( 8.080 -4.317 8.567) 12.543 7.502 ( 6.755 -17.749 1.067) 19.021 7.877 ( 11.902 6.987 -4.557) 14.534 7.926 ( 0.072 -2.940 -0.739) 3.032 7.973 ( 7.442 -5.638 -4.637) 10.425 8.013 ( 8.687 1.933 -9.100) 12.728 8.157 ( 7.227 -9.688 -2.733) 12.392 8.559 ( -2.982 -5.780 -12.578) 14.160 8.606 ( 3.325 8.481 -14.516) 17.138 8.760 ( 4.619 7.342 -0.762) 8.708 8.938 ( 3.940 -7.721 -9.772) 13.062 9.018 ( 0.477 -6.470 -6.148) 8.938 9.142 ( -7.144 -1.004 3.554) 8.042 9.349 ( 1.272 2.574 -1.686) 3.330 9.419 ( -2.518 5.548 5.493) 8.203 9.542 ( 2.981 2.595 -1.273) 4.153 9.724 ( 1.245 -4.856 1.162) 5.146 10.039 ( 10.588 -7.652 -11.303) 17.275 10.050 ( 9.169 -4.322 2.542) 10.450 10.325 ( -3.750 6.832 3.110) 8.391 10.744 ( 5.472 0.604 0.682) 5.548 10.897 ( 2.309 0.912 -5.599) 6.125 10.928 ( -1.458 4.075 -5.237) 6.794 11.073 ( -1.016 -4.058 7.837) 8.883 11.260 ( 5.273 -7.523 24.964) 26.601 11.475 ( -4.529 7.973 4.769) 10.336 11.501 ( 2.614 2.586 8.143) 8.934 11.810 ( 6.303 -0.456 1.811) 6.574 12.031 ( -4.481 4.310 -6.714) 9.150 12.224 ( 3.347 3.922 2.185) 5.600 12.375 ( 1.654 -1.052 0.115) 1.964 12.582 ( -3.043 -0.352 -0.865) 3.183 12.721 ( -5.053 -5.580 2.359) 7.889 12.858 ( -4.634 -4.154 8.897) 10.858 12.921 ( -1.157 -5.400 2.457) 6.044 13.058 ( -2.420 2.008 -2.765) 4.188 13.275 ( -3.618 8.728 -3.231) 9.985 13.341 ( -0.630 3.536 -4.135) 5.477 13.443 ( -12.253 6.713 -11.311) 17.976 13.933 ( -11.764 -1.677 14.725) 18.921 14.411 ( -18.611 1.185 0.450) 18.654 14.532 ( -14.880 3.233 1.689) 15.321 14.610 ( -16.308 1.985 -0.922) 16.454 15.528 ( -1.987 -2.396 17.348) 17.625 15.651 ( 15.082 3.497 -1.965) 15.606 15.808 ( -25.497 -4.711 2.880) 26.088 15.987 ( 25.035 -1.573 -18.329) 31.067 16.196 ( -20.045 -3.317 -22.376) 30.224 16.416 ( -13.161 1.382 -13.729) 19.069 16.504 ( -2.397 -1.527 -17.985) 18.209 17.048 ( -26.880 -5.744 -16.911) 32.273 17.565 ( -24.944 0.656 27.635) 37.234 17.680 ( -12.302 -2.550 25.206) 28.164 17.930 ( -10.811 8.630 12.198) 18.443 18.297 ( -23.294 -1.309 -2.415) 23.455 18.512 ( -5.386 0.561 18.942) 19.701 18.895 ( 4.882 -5.563 -0.578) 7.424 19.004 ( 9.177 -2.635 -3.077) 10.032 19.084 ( 3.884 3.095 -9.094) 10.362 19.185 ( 7.793 0.571 -6.656) 10.265 19.241 ( 3.966 2.008 0.179) 4.449 19.243 ( 4.861 1.720 1.244) 5.305 19.514 ( -0.294 -2.221 -6.535) 6.909 19.592 ( 2.648 3.302 3.617) 5.568 19.720 ( 3.906 2.164 3.718) 5.811 19.846 ( 2.054 -1.480 -2.584) 3.617 20.006 ( 0.609 -6.924 -1.522) 7.116 20.111 ( 0.321 -11.518 -1.375) 11.604 20.265 ( -1.948 5.122 -6.921) 8.828 20.327 ( 1.482 -0.014 0.995) 1.785 20.579 ( 4.810 -1.057 -7.002) 8.561 20.903 ( 3.311 2.737 5.095) 6.665 21.130 ( -5.392 -2.277 2.689) 6.441 21.241 ( -2.185 -1.155 -6.118) 6.598 21.290 ( -9.195 -1.306 -0.996) 9.341 21.478 ( -3.190 5.544 1.852) 6.659 21.701 ( -6.245 -0.585 -6.097) 8.747 21.761 ( 3.692 -0.272 0.584) 3.748 21.812 ( -2.630 4.998 3.291) 6.536 21.901 ( -2.213 0.778 0.120) 2.349 22.048 ( -1.110 3.900 -1.835) 4.451 22.113 ( -4.333 -4.921 5.140) 8.331 22.185 ( -3.538 -7.532 5.896) 10.198 22.276 ( -2.384 3.273 5.072) 6.490 22.510 ( -4.502 -3.244 4.125) 6.914 22.560 ( -2.081 3.152 -6.012) 7.100 22.768 ( -13.098 10.511 0.378) 16.798 22.814 ( -10.520 5.167 4.827) 12.676 22.958 ( -6.460 0.219 0.897) 6.526 23.071 ( 4.948 3.385 2.580) 6.526 23.123 ( -4.829 0.713 3.211) 5.843 23.196 ( 2.095 0.384 1.260) 2.475 23.264 ( -0.956 1.413 -1.670) 2.387 23.366 ( 6.015 6.647 0.566) 8.983 23.430 ( 5.596 0.663 -3.110) 6.437 23.530 ( 0.409 6.626 -2.814) 7.210 23.558 ( 4.097 -1.284 -1.014) 4.411 23.637 ( 3.919 1.071 -1.042) 4.194 23.754 ( 7.110 1.222 -0.828) 7.262 23.859 ( 1.359 -1.671 7.399) 7.706 24.087 ( -5.082 0.414 4.169) 6.586 24.203 ( -7.682 -1.108 -8.048) 11.181 24.210 ( -12.441 4.230 -0.999) 13.178 24.271 ( -3.859 1.186 -7.456) 8.479 24.312 ( -11.630 2.900 -2.213) 12.188 24.470 ( 9.655 -0.061 0.049) 9.655 24.511 ( 0.678 -3.470 0.882) 3.644 24.567 ( -5.898 -0.608 -0.460) 5.947 24.585 ( -6.080 -0.012 -1.623) 6.293 24.713 ( 8.601 -1.798 3.703) 9.535 24.764 ( 4.382 -2.909 1.193) 5.393 24.829 ( 7.925 -0.793 2.746) 8.425 24.922 ( 8.992 4.959 -0.916) 10.310 25.081 ( 9.205 -3.897 -1.914) 10.178 25.120 ( 13.418 0.100 -3.684) 13.915 25.373 ( 8.084 -3.943 3.093) 9.511 25.497 ( 4.262 -2.743 8.657) 10.031 25.627 ( 8.735 3.796 -3.209) 10.050 26.227 ( -8.262 -6.382 -12.257) 16.100 26.993 ( -7.166 2.881 1.536) 7.875 27.136 ( -5.672 6.304 -4.394) 9.551 27.515 ( 0.012 -12.165 1.536) 12.261 27.665 ( -10.791 -7.009 -6.701) 14.508 28.844 ( -11.610 0.419 1.866) 11.767 28.898 ( -13.025 -0.343 1.898) 13.167 28.916 ( -10.245 -0.636 0.778) 10.294 28.938 ( -10.595 -0.344 0.224) 10.603 29.644 ( 7.880 1.551 5.863) 9.944 29.803 ( 16.651 -4.686 8.783) 19.400 29.980 ( 9.937 2.344 -6.232) 11.962 30.283 ( 13.886 -5.006 -11.165) 18.508 30.748 ( 10.188 5.527 9.318) 14.871 31.016 ( 5.999 11.342 -2.347) 13.043 31.163 ( 2.182 -3.121 10.113) 10.807 31.582 ( 5.692 -4.786 -6.260) 9.721 35.095 ( -1.776 3.187 3.241) 4.880 35.343 ( -4.073 7.116 -0.825) 8.240 35.370 ( -4.617 6.439 -2.705) 8.372 35.405 ( -4.345 9.710 -5.348) 11.907 35.485 ( -2.869 1.461 3.748) 4.941 35.731 ( -4.827 0.911 -5.099) 7.080 36.155 ( -10.882 -9.570 2.878) 14.774 36.177 ( -10.167 -8.163 2.987) 13.377 39.041 ( 7.166 -0.552 2.796) 7.712 39.134 ( 6.061 -2.710 4.453) 7.994 39.291 ( 8.200 1.526 -7.475) 11.200 39.417 ( 12.372 0.656 -5.660) 13.621 39.476 ( 17.981 4.058 11.501) 21.727 39.800 ( 7.020 -0.063 8.393) 10.942 39.922 ( 10.992 -1.455 9.303) 14.473 40.141 ( 11.463 0.584 -5.041) 12.536 40.247 ( 11.423 -1.800 -4.796) 12.519 40.471 ( 10.212 0.488 -26.319) 28.234 40.607 ( 33.694 -41.318 7.419) 53.829 40.965 ( 9.010 -12.465 -9.321) 17.985 41.580 ( 4.726 5.884 20.464) 21.812 41.675 ( -1.876 1.025 25.424) 25.514 42.408 ( -10.063 4.905 -10.733) 15.509 42.552 ( -3.095 8.042 -23.263) 24.807 96.935 ( 11.521 0.196 0.375) 11.529 96.946 ( 12.395 0.542 0.090) 12.407 96.977 ( 14.833 -0.360 1.042) 14.874 97.190 ( 26.425 -8.789 -10.894) 29.903 100.236 ( -4.531 -0.023 1.869) 4.902 100.321 ( -5.132 2.851 -1.381) 6.031 100.374 ( -8.841 -5.914 10.799) 15.157 100.607 ( -8.108 -4.180 -1.980) 9.335 ======================= Grid point 68 (27/54) ======================= q-point: ( 0.18 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 45.091 11.637 15.217) 48.992 2.834 ( 36.275 25.230 23.583) 50.085 3.611 ( 16.040 -9.942 -11.880) 22.300 3.666 ( 20.729 -5.756 -11.903) 24.587 3.895 ( 22.305 -0.620 -26.285) 34.479 4.150 ( 17.111 13.029 -17.349) 27.632 4.328 ( 3.821 6.961 0.634) 7.966 4.441 ( 20.136 0.960 -3.133) 20.401 4.592 ( 36.193 1.590 4.593) 36.518 4.697 ( 11.651 -2.527 -0.007) 11.922 4.901 ( 14.344 -1.036 5.319) 15.333 5.097 ( 25.829 4.162 -7.892) 27.327 5.203 ( 31.803 10.353 17.303) 37.657 5.305 ( 15.834 0.525 5.351) 16.722 5.662 ( 24.047 -12.686 12.056) 29.742 5.753 ( 12.667 2.680 3.865) 13.512 5.973 ( 21.887 -5.207 -6.727) 23.482 6.090 ( 9.785 -7.584 5.250) 13.447 6.348 ( 12.382 1.453 8.952) 15.348 6.385 ( 22.094 -2.208 -6.587) 23.160 6.554 ( 21.362 8.538 2.737) 23.167 6.855 ( 3.824 -0.474 3.998) 5.552 7.039 ( 11.188 6.703 -0.141) 13.043 7.222 ( 8.368 -3.649 -0.783) 9.163 7.329 ( 30.035 5.415 4.979) 30.922 7.518 ( 10.853 -11.445 -0.126) 15.773 7.760 ( 18.561 -14.695 14.556) 27.791 7.964 ( 2.793 -6.033 -0.977) 6.719 8.092 ( 7.240 -9.588 1.098) 12.065 8.124 ( 0.581 -2.503 0.681) 2.658 8.264 ( 17.560 2.945 -7.547) 19.339 8.338 ( 12.411 -13.038 3.582) 18.354 8.539 ( 1.684 -2.958 -10.545) 11.080 8.711 ( 5.812 7.028 -4.739) 10.278 8.845 ( 3.141 -2.138 -6.882) 7.861 8.998 ( -2.095 -1.507 -0.848) 2.717 9.032 ( 6.370 4.280 -10.242) 12.799 9.144 ( 8.970 3.778 -10.381) 14.230 9.355 ( 5.204 4.001 -0.093) 6.566 9.511 ( 8.957 8.470 0.788) 12.353 9.629 ( 4.658 6.319 2.536) 8.250 9.783 ( 6.261 -2.807 -4.601) 8.261 10.024 ( -2.227 7.553 0.657) 7.902 10.332 ( 9.471 -9.255 -4.760) 14.072 10.442 ( 12.275 -5.867 -4.888) 14.456 10.856 ( 2.880 -1.562 -5.459) 6.366 10.881 ( 1.434 0.438 0.952) 1.776 11.029 ( 8.441 -2.340 -10.894) 13.979 11.058 ( 0.695 0.815 11.591) 11.641 11.288 ( 1.019 3.151 15.119) 15.477 11.458 ( 1.304 -2.117 5.774) 6.287 11.679 ( 12.826 -2.941 8.247) 15.530 11.847 ( -3.443 4.235 -1.841) 5.760 11.998 ( 1.572 1.657 -7.011) 7.373 12.254 ( -1.478 3.189 7.176) 7.991 12.402 ( 0.404 -0.263 9.077) 9.090 12.497 ( -4.601 -2.452 -0.152) 5.216 12.580 ( -8.675 -1.252 9.525) 12.944 12.748 ( -7.959 -2.449 -2.229) 8.621 12.827 ( -6.286 -6.955 5.650) 10.945 12.949 ( -10.557 3.383 -2.666) 11.402 13.121 ( -14.301 5.914 -7.519) 17.206 13.195 ( -7.231 4.178 -7.564) 11.268 13.283 ( -3.852 0.725 -8.218) 9.105 13.711 ( -8.377 8.154 17.340) 20.913 14.061 ( -12.377 1.459 1.576) 12.562 14.183 ( -12.227 5.477 -1.597) 13.493 14.440 ( -6.576 1.773 0.722) 6.849 15.059 ( -38.821 -3.423 14.240) 41.492 15.204 ( -19.762 -7.877 1.293) 21.313 15.513 ( -40.031 -0.671 -7.682) 40.767 15.923 ( -34.268 -8.774 -20.813) 41.042 16.139 ( -6.192 5.585 -5.345) 9.904 16.277 ( 25.510 9.458 -7.856) 28.318 16.566 ( -5.328 -3.348 -11.856) 13.422 16.825 ( 17.036 -2.023 -18.058) 24.908 16.952 ( -30.137 1.745 22.498) 37.649 17.272 ( -27.381 -6.520 12.533) 30.811 17.526 ( -27.085 6.419 -3.111) 28.008 17.739 ( -29.345 -0.489 -9.197) 30.757 18.531 ( 5.734 1.004 30.543) 31.093 18.954 ( 0.139 -7.456 3.117) 8.082 19.118 ( 2.477 -0.557 -0.503) 2.589 19.146 ( 0.816 0.306 -3.038) 3.161 19.273 ( -0.195 -0.481 -1.451) 1.541 19.287 ( 1.819 5.388 2.947) 6.405 19.392 ( 6.843 -0.494 -4.427) 8.165 19.530 ( 0.369 -1.921 -0.291) 1.978 19.662 ( 3.447 1.674 2.912) 4.813 19.775 ( 1.120 1.720 2.819) 3.487 19.890 ( 1.899 -1.922 -1.182) 2.949 20.023 ( -0.213 -6.792 -3.750) 7.761 20.099 ( -1.483 -10.371 -3.352) 11.000 20.219 ( -2.523 8.413 -5.757) 10.502 20.373 ( 3.011 -4.210 4.328) 6.747 20.680 ( 3.953 -3.388 -7.260) 8.934 20.966 ( 1.122 1.237 2.365) 2.895 20.995 ( -6.489 0.740 0.951) 6.600 21.103 ( -6.253 -0.555 -0.650) 6.311 21.154 ( -6.395 -0.547 0.049) 6.418 21.448 ( -13.043 4.695 -0.886) 13.891 21.483 ( -0.967 5.250 -4.477) 6.967 21.688 ( -13.148 1.361 3.745) 13.739 21.877 ( -3.692 -1.369 -2.015) 4.423 21.989 ( 9.915 -2.308 1.591) 10.303 22.030 ( 1.031 -2.936 3.991) 5.061 22.049 ( -2.241 -0.540 1.428) 2.712 22.109 ( 5.528 2.323 -4.870) 7.725 22.242 ( -0.482 1.115 4.370) 4.536 22.363 ( -5.974 0.900 7.334) 9.501 22.458 ( -4.417 6.249 -3.400) 8.374 22.561 ( -8.569 6.164 2.497) 10.847 22.660 ( -0.316 5.534 -2.926) 6.268 22.722 ( -10.994 -0.421 -4.412) 11.853 23.033 ( -3.184 0.378 4.715) 5.702 23.129 ( -2.129 -2.037 1.329) 3.233 23.190 ( -3.300 -0.670 6.565) 7.378 23.292 ( -6.947 4.262 -1.455) 8.279 23.334 ( 0.520 7.016 -2.024) 7.321 23.414 ( -3.091 2.068 0.881) 3.822 23.466 ( -7.604 -1.700 -0.604) 7.815 23.568 ( -1.262 2.148 2.477) 3.513 23.678 ( -15.160 -5.205 -0.246) 16.031 23.824 ( 7.077 0.489 -3.134) 7.755 23.844 ( -5.430 1.367 -2.045) 5.961 23.951 ( -6.733 3.847 2.819) 8.251 24.021 ( -7.687 5.348 0.965) 9.414 24.124 ( -2.958 2.871 -4.616) 6.188 24.162 ( -4.995 -4.467 -5.908) 8.933 24.270 ( 11.120 -1.432 -3.323) 11.694 24.502 ( 2.999 3.039 -1.452) 4.510 24.534 ( 3.544 -0.315 -2.324) 4.250 24.635 ( 8.622 -2.316 0.568) 8.946 24.696 ( 9.134 -2.502 0.168) 9.472 24.843 ( 6.004 -1.513 0.648) 6.225 24.876 ( 7.022 -1.527 1.102) 7.270 25.027 ( 10.689 -1.855 5.753) 12.279 25.169 ( 3.834 1.843 -0.427) 4.275 25.264 ( 14.112 -4.510 1.764) 14.920 25.400 ( 11.959 -0.955 -2.745) 12.307 25.534 ( 8.494 -0.879 4.728) 9.761 25.609 ( 6.360 0.366 4.522) 7.812 25.740 ( 4.114 2.373 1.474) 4.973 26.048 ( -7.427 -2.914 -6.560) 10.329 26.880 ( -2.983 2.818 2.316) 4.712 27.029 ( -4.949 3.606 -2.923) 6.786 27.393 ( -9.981 -7.308 -1.929) 12.520 27.423 ( -11.854 -4.850 -4.065) 13.438 28.538 ( -18.379 0.260 2.081) 18.498 28.558 ( -18.830 0.949 1.660) 18.927 28.616 ( -18.681 -1.047 0.357) 18.714 28.647 ( -17.589 -0.328 -0.738) 17.607 29.886 ( 15.473 1.911 5.455) 16.518 30.210 ( 16.166 0.296 -5.833) 17.189 30.290 ( 24.069 -7.522 4.533) 25.621 30.645 ( 19.545 -7.844 -9.719) 23.195 30.996 ( 12.202 3.131 5.741) 13.844 31.133 ( 4.050 5.148 3.647) 7.497 31.280 ( 10.202 1.815 7.013) 12.512 31.711 ( 6.113 -5.008 -7.194) 10.687 35.060 ( -1.530 2.514 2.314) 3.744 35.244 ( -4.805 6.133 -2.314) 8.127 35.274 ( -4.573 7.870 -0.986) 9.156 35.319 ( -4.316 6.645 -1.677) 8.099 35.415 ( -3.427 0.247 3.927) 5.218 35.631 ( -4.297 -1.466 -4.593) 6.458 35.920 ( -11.262 -7.306 2.959) 13.747 35.995 ( -7.770 -5.727 0.124) 9.654 39.230 ( 10.847 -0.335 3.538) 11.415 39.299 ( 10.424 -1.910 3.097) 11.040 39.478 ( 9.810 1.889 -9.012) 13.454 39.626 ( 8.480 -1.235 -9.974) 13.150 39.962 ( 12.731 2.270 11.077) 17.027 40.023 ( 25.762 6.801 11.444) 28.999 40.185 ( 12.863 -2.332 10.470) 16.749 40.452 ( 17.227 -0.040 -8.044) 19.013 40.545 ( 16.151 -1.913 -6.319) 17.448 40.743 ( 16.003 4.426 -20.285) 26.214 41.010 ( 8.565 -12.250 3.884) 15.444 41.236 ( 15.635 -14.053 -7.680) 22.382 41.602 ( -1.527 2.465 17.659) 17.895 41.759 ( 9.063 -3.671 16.150) 18.880 42.143 ( -15.134 4.137 -6.888) 17.134 42.482 ( -3.158 -2.008 -15.678) 16.118 97.262 ( 19.760 0.724 0.631) 19.784 97.292 ( 20.472 2.046 -0.347) 20.577 97.372 ( 22.353 -1.357 3.058) 22.602 97.684 ( 21.589 -8.646 -10.433) 25.489 100.098 ( -8.912 0.126 1.468) 9.033 100.166 ( -9.871 2.290 -1.125) 10.195 100.174 ( -10.522 -1.913 6.895) 12.725 100.381 ( -13.362 -2.871 -2.300) 13.859 ======================= Grid point 69 (28/54) ======================= q-point: ( 0.27 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( 32.568 9.735 12.819) 36.329 3.585 ( 37.260 15.444 15.255) 43.122 3.940 ( 15.423 -3.754 -7.834) 17.702 4.054 ( 16.038 -3.027 -8.095) 18.218 4.307 ( 16.870 5.570 -20.554) 27.167 4.384 ( 5.489 12.158 -7.315) 15.213 4.440 ( 8.901 6.128 -5.130) 11.962 4.622 ( 7.184 -1.157 -5.620) 9.194 4.950 ( 1.699 0.409 3.281) 3.717 5.012 ( 17.724 -9.274 1.376) 20.050 5.230 ( 16.866 0.794 -4.298) 17.423 5.393 ( 14.205 5.029 0.761) 15.088 5.632 ( 13.084 6.710 12.486) 19.290 5.713 ( 0.730 4.381 15.413) 16.040 5.817 ( 16.071 3.570 7.358) 18.032 6.104 ( -2.445 -1.345 2.936) 4.051 6.288 ( 25.971 -1.812 5.664) 26.643 6.503 ( 11.892 1.392 -1.920) 12.126 6.669 ( 16.446 -7.715 -4.783) 18.784 6.812 ( 6.497 -7.344 -2.510) 10.121 6.946 ( 17.854 4.985 -1.523) 18.600 7.111 ( 29.060 5.012 -9.325) 30.928 7.339 ( 13.656 -8.418 6.119) 17.169 7.574 ( 11.847 -1.156 -4.733) 12.810 7.762 ( 23.775 -9.745 1.537) 25.741 7.964 ( 3.947 -6.813 -6.407) 10.152 8.080 ( 14.150 -8.947 5.993) 17.782 8.085 ( 18.504 -10.236 6.923) 22.251 8.168 ( 3.588 -11.697 3.827) 12.820 8.368 ( 11.689 -12.982 4.463) 18.030 8.440 ( 14.581 -0.795 0.797) 14.625 8.596 ( 10.409 -2.982 7.405) 13.118 8.691 ( 0.129 2.997 3.773) 4.820 8.780 ( 11.834 2.953 -2.477) 12.446 9.016 ( 10.313 7.260 -0.569) 12.625 9.183 ( 25.666 -2.430 -8.481) 27.140 9.255 ( 3.976 5.915 -5.273) 8.866 9.339 ( 22.023 1.486 -10.194) 24.313 9.559 ( 12.687 4.335 1.871) 13.537 9.710 ( 8.123 8.367 -4.584) 12.530 9.786 ( 13.193 7.724 -2.082) 15.429 9.982 ( 8.994 -0.624 7.057) 11.449 10.163 ( 18.457 4.432 -12.809) 22.899 10.467 ( 5.731 -0.204 4.269) 7.150 10.609 ( 1.990 4.675 -12.415) 13.415 10.880 ( 7.250 -10.853 7.122) 14.869 10.998 ( 2.714 -1.752 -6.870) 7.592 11.128 ( 7.561 -3.997 2.792) 8.996 11.232 ( 7.099 4.110 -1.492) 8.337 11.383 ( 7.634 4.922 -3.274) 9.655 11.526 ( 5.469 -3.943 3.152) 7.443 11.682 ( -7.321 4.960 -3.768) 9.612 11.861 ( -3.962 -4.409 2.487) 6.428 12.037 ( 0.159 -0.146 -1.015) 1.038 12.161 ( -7.761 0.949 4.561) 9.052 12.317 ( -9.065 2.024 6.262) 11.202 12.386 ( -8.177 -5.098 3.666) 10.310 12.448 ( -5.590 3.191 4.339) 7.763 12.501 ( -5.910 -6.070 5.093) 9.885 12.693 ( -9.376 -7.539 1.205) 12.091 12.724 ( -5.494 2.080 6.541) 8.791 12.845 ( -7.286 6.091 -0.891) 9.538 13.095 ( -5.040 9.868 -9.521) 14.609 13.232 ( -1.515 -2.809 -1.630) 3.583 13.550 ( -4.182 11.165 9.314) 15.129 13.941 ( -1.729 -0.004 1.799) 2.495 14.054 ( -5.814 3.241 -4.771) 8.190 14.269 ( -14.959 2.189 5.373) 16.045 14.407 ( -16.388 -0.114 -3.319) 16.721 14.576 ( -32.969 -5.452 3.573) 33.607 15.015 ( -9.387 -5.035 -7.871) 13.245 15.157 ( -30.821 -3.211 -15.462) 34.632 15.944 ( -16.841 4.511 13.966) 22.339 16.167 ( -20.841 -2.372 9.653) 23.090 16.505 ( -21.299 -6.696 10.610) 24.719 16.605 ( -29.116 -6.023 8.918) 31.041 16.776 ( -3.797 10.398 -11.172) 15.727 16.924 ( -27.815 6.350 -5.594) 29.074 17.030 ( 10.276 4.202 -17.941) 21.098 17.386 ( 0.325 1.925 -20.641) 20.733 18.698 ( 10.457 -6.795 22.973) 26.139 18.832 ( -13.589 -9.765 6.869) 18.089 19.041 ( -7.588 -2.335 -4.539) 9.144 19.166 ( -6.779 -0.218 -1.876) 7.037 19.224 ( 0.643 3.665 3.573) 5.158 19.278 ( -6.546 3.489 4.309) 8.579 19.419 ( -4.928 -0.779 -1.568) 5.230 19.463 ( -6.718 -0.612 -0.936) 6.811 19.698 ( 1.764 0.263 2.313) 2.921 19.783 ( 0.471 0.184 -1.177) 1.281 19.947 ( 3.125 -1.253 0.328) 3.383 19.978 ( -2.174 -3.205 -1.097) 4.025 20.063 ( -1.369 -5.951 -2.260) 6.511 20.174 ( -1.959 6.022 -2.882) 6.958 20.424 ( 0.160 -7.227 2.724) 7.725 20.700 ( -3.292 -5.963 -6.320) 9.292 20.888 ( -2.950 2.541 0.443) 3.919 20.952 ( -1.234 0.441 1.023) 1.662 21.008 ( -3.987 1.585 -1.389) 4.510 21.056 ( -2.089 1.029 1.305) 2.670 21.204 ( -9.659 2.505 3.248) 10.494 21.283 ( -16.638 2.114 0.048) 16.772 21.423 ( -6.289 2.085 1.268) 6.746 21.619 ( -14.267 -3.073 -4.727) 15.341 22.065 ( 3.278 1.864 -0.505) 3.805 22.133 ( 3.783 3.101 0.846) 4.965 22.174 ( 2.069 0.837 -1.313) 2.589 22.218 ( -0.806 2.477 0.331) 2.626 22.291 ( 0.416 4.076 -0.981) 4.212 22.350 ( 7.071 -0.246 -1.484) 7.229 22.486 ( 4.781 2.116 1.190) 5.362 22.544 ( -0.544 1.310 0.495) 1.503 22.565 ( 13.456 1.731 4.121) 14.179 22.789 ( 8.699 1.336 -5.994) 10.649 22.974 ( -4.419 -2.408 3.098) 5.909 23.025 ( -6.555 -1.490 -0.240) 6.727 23.088 ( -5.701 -1.690 5.421) 8.047 23.149 ( -9.235 -2.128 -0.010) 9.477 23.251 ( -4.306 1.301 -1.608) 4.777 23.316 ( -7.088 1.542 -2.828) 7.786 23.335 ( -8.079 3.782 1.883) 9.117 23.416 ( -3.359 -2.317 2.772) 4.933 23.534 ( 0.909 2.931 5.366) 6.181 23.666 ( -6.607 -1.214 0.891) 6.776 23.735 ( -10.833 -0.538 4.058) 11.581 23.848 ( -4.060 4.663 -2.988) 6.867 23.965 ( 1.093 6.809 0.788) 6.941 24.009 ( -7.286 -8.286 -5.317) 12.248 24.210 ( 4.845 3.164 -7.485) 9.461 24.452 ( 4.116 4.957 -5.285) 8.333 24.642 ( 7.737 2.421 -1.589) 8.262 24.654 ( 7.805 1.654 -1.806) 8.180 24.800 ( 8.076 -1.874 2.637) 8.700 24.870 ( 7.942 -5.544 2.414) 9.982 24.991 ( 7.464 -0.922 -3.009) 8.100 25.056 ( 8.604 0.122 -1.881) 8.808 25.133 ( -0.499 1.740 4.423) 4.779 25.266 ( 7.961 -0.148 2.176) 8.255 25.495 ( 6.021 -4.694 -0.559) 7.655 25.564 ( 4.363 -2.197 -0.977) 4.981 25.704 ( 8.076 0.549 1.419) 8.218 25.748 ( 6.879 3.456 0.983) 7.760 25.848 ( 5.604 -0.995 3.747) 6.814 25.971 ( -0.090 -0.879 -0.140) 0.894 26.842 ( -2.474 -1.161 3.865) 4.734 26.949 ( -1.844 2.146 0.414) 2.859 27.186 ( -9.952 -1.475 -3.710) 10.723 27.214 ( -6.592 -3.189 -4.025) 8.356 28.093 ( -24.119 0.603 2.298) 24.235 28.138 ( -22.315 0.258 1.151) 22.346 28.176 ( -23.358 -0.460 0.284) 23.365 28.227 ( -22.931 -0.494 -0.647) 22.946 30.259 ( 20.058 3.386 3.257) 20.601 30.506 ( 13.600 4.385 -7.289) 16.041 30.821 ( 24.843 -10.812 4.068) 27.397 31.011 ( 13.499 -6.057 -3.082) 15.113 31.163 ( 4.931 1.001 4.679) 6.871 31.262 ( 9.340 3.472 2.800) 10.350 31.522 ( 11.593 -2.343 2.660) 12.123 31.812 ( 3.425 -5.040 -6.352) 8.802 35.030 ( -1.418 2.232 1.792) 3.194 35.149 ( -4.331 5.070 -0.227) 6.672 35.190 ( -3.559 7.941 -1.611) 8.850 35.225 ( -4.911 8.259 -1.595) 9.740 35.370 ( -0.449 -2.063 3.431) 4.029 35.561 ( -2.579 -2.740 -4.284) 5.702 35.727 ( -7.113 -5.275 3.639) 9.574 35.844 ( -6.990 -5.168 -1.409) 8.806 39.475 ( 12.929 0.501 3.006) 13.284 39.561 ( 14.711 -1.771 0.628) 14.830 39.683 ( 10.050 1.258 -7.153) 12.400 39.776 ( 6.601 -1.153 -9.185) 11.369 40.121 ( 4.864 2.134 12.632) 13.703 40.381 ( 5.316 -3.490 12.252) 13.805 40.582 ( 22.023 7.872 4.758) 23.867 40.705 ( 5.098 2.095 -10.956) 12.264 40.870 ( 15.426 -0.978 -6.703) 16.848 41.074 ( 15.032 3.105 -12.705) 19.925 41.217 ( 15.068 -3.612 8.902) 17.870 41.519 ( 9.774 -5.482 -0.996) 11.251 41.620 ( 5.017 -2.157 3.064) 6.262 41.842 ( -11.537 7.252 -2.273) 13.816 41.956 ( 9.236 -6.235 10.575) 15.362 42.420 ( -3.252 -6.090 -8.859) 11.231 97.717 ( 23.961 1.036 0.710) 23.994 97.754 ( 23.878 2.748 -0.570) 24.042 97.857 ( 24.298 -1.732 3.287) 24.581 98.104 ( 19.940 -5.545 -6.411) 21.667 99.872 ( -13.077 0.421 0.999) 13.122 99.919 ( -14.093 1.683 -0.796) 14.216 99.937 ( -12.741 -1.004 3.651) 13.291 100.072 ( -16.557 -1.872 -1.799) 16.760 ======================= Grid point 70 (29/54) ======================= q-point: ( 0.36 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.898 ( 21.264 6.143 8.140) 23.583 4.149 ( 11.075 10.206 0.421) 15.066 4.315 ( 9.451 -0.958 -5.547) 11.001 4.324 ( 25.343 4.705 1.269) 25.807 4.489 ( 7.270 3.967 -0.729) 8.314 4.566 ( 4.654 0.470 -10.522) 11.515 4.644 ( 10.291 5.628 -10.651) 15.844 4.751 ( 2.036 4.317 -3.599) 5.977 4.954 ( 5.667 4.719 8.683) 11.392 5.281 ( 10.961 -4.488 2.842) 12.181 5.537 ( 8.951 10.783 -5.926) 15.216 5.723 ( 6.947 0.420 1.103) 7.047 5.773 ( 12.424 -5.661 4.399) 14.344 5.799 ( 4.741 7.636 8.883) 12.637 6.028 ( 0.399 -0.367 7.981) 8.000 6.124 ( 14.844 5.050 2.877) 15.941 6.521 ( -3.079 6.113 3.340) 7.616 6.594 ( -1.460 8.250 0.218) 8.381 6.716 ( -8.002 4.028 4.596) 10.069 6.989 ( 9.799 -15.583 -13.506) 22.832 7.400 ( -0.771 -9.452 -2.206) 9.737 7.499 ( 28.548 -8.081 1.114) 29.691 7.654 ( 21.137 -8.902 -0.883) 22.952 7.827 ( 12.516 -5.627 -3.089) 14.066 8.037 ( 3.692 -19.577 2.554) 20.085 8.164 ( 1.486 -10.023 -3.070) 10.587 8.205 ( 7.383 -10.665 -1.290) 13.035 8.281 ( 7.663 -16.518 -1.185) 18.247 8.444 ( 22.618 -4.892 5.096) 23.695 8.472 ( 9.350 2.230 6.823) 11.788 8.676 ( 7.453 -4.620 6.205) 10.742 8.766 ( 4.014 10.348 1.870) 11.256 8.891 ( 12.816 7.102 -0.641) 14.666 8.912 ( 2.810 7.176 -5.093) 9.237 9.269 ( 7.470 2.682 -1.662) 8.109 9.339 ( 5.555 3.324 3.428) 7.326 9.467 ( 2.031 -1.480 1.779) 3.079 9.718 ( 12.453 -3.015 -10.607) 16.633 9.836 ( 10.014 0.711 -15.881) 18.788 9.954 ( -1.662 -9.893 -14.323) 17.487 10.197 ( 25.782 8.726 9.369) 28.786 10.322 ( 24.765 10.597 7.901) 28.072 10.517 ( 7.096 0.368 11.928) 13.884 10.563 ( 15.516 7.876 -1.459) 17.461 10.718 ( 3.853 6.916 -3.325) 8.586 11.015 ( 2.447 0.102 3.880) 4.589 11.052 ( 2.730 2.680 -3.307) 5.057 11.178 ( -5.725 0.587 0.528) 5.780 11.342 ( 6.285 4.601 1.280) 7.894 11.360 ( -6.594 13.436 -6.094) 16.160 11.526 ( -8.489 0.196 -1.851) 8.691 11.667 ( -1.417 -1.757 -5.473) 5.920 11.700 ( -10.347 -4.736 3.485) 11.901 11.885 ( -8.611 -3.115 -0.214) 9.159 11.994 ( -11.143 -4.243 -0.194) 11.925 12.028 ( -6.365 3.417 -2.896) 7.783 12.299 ( 6.798 -6.109 5.783) 10.816 12.412 ( 0.933 0.214 3.147) 3.289 12.514 ( 1.344 -6.700 4.553) 8.211 12.590 ( 0.517 -6.518 -1.697) 6.755 12.706 ( 0.598 5.487 11.650) 12.891 12.958 ( 18.189 -1.727 4.141) 18.735 12.998 ( -1.807 3.331 -7.608) 8.500 13.229 ( -2.105 -4.546 -2.864) 5.770 13.504 ( -7.176 1.007 0.901) 7.303 13.720 ( -6.389 5.304 6.305) 10.426 13.899 ( -11.436 -6.125 2.087) 13.140 13.991 ( -0.099 6.124 6.832) 9.176 14.246 ( -2.881 5.812 -21.345) 22.309 14.447 ( 6.251 -5.774 4.190) 9.485 14.622 ( -12.231 6.155 -13.777) 19.424 15.110 ( 0.218 -3.122 -19.970) 20.214 15.389 ( -20.079 3.785 22.166) 30.147 15.873 ( -20.808 -5.489 7.019) 22.635 15.919 ( -14.521 -3.908 10.892) 18.568 16.191 ( -13.907 -2.068 -6.888) 15.656 16.375 ( -19.697 7.928 5.796) 22.009 16.638 ( -1.478 -0.629 17.172) 17.247 17.127 ( -22.187 9.038 -17.536) 29.690 17.512 ( 13.804 2.836 -19.472) 24.036 18.366 ( -27.912 -6.527 10.287) 30.455 18.718 ( -24.260 -0.032 -6.812) 25.198 18.871 ( -16.770 7.516 0.195) 18.378 18.958 ( -7.901 0.085 -0.542) 7.920 19.030 ( 4.301 -7.312 4.537) 9.620 19.169 ( -3.480 -3.742 0.465) 5.132 19.342 ( 3.041 -2.226 4.579) 5.930 19.471 ( 3.752 -3.461 0.012) 5.105 19.726 ( -1.184 -0.404 2.726) 3.000 19.833 ( 5.809 1.241 -0.945) 6.015 19.971 ( 1.041 -3.726 -1.623) 4.195 19.980 ( 0.699 -3.624 -2.005) 4.200 20.059 ( -1.060 -0.137 1.609) 1.932 20.132 ( -1.381 2.742 -0.200) 3.077 20.321 ( -9.450 -6.311 1.767) 11.500 20.524 ( -12.815 -4.306 -5.473) 14.585 20.868 ( -0.301 0.926 2.695) 2.865 20.921 ( -0.251 -0.432 3.455) 3.491 20.984 ( 0.852 0.226 -2.748) 2.885 21.038 ( -4.753 -0.427 2.174) 5.244 21.070 ( 2.641 1.945 -0.573) 3.329 21.130 ( 0.331 1.823 2.058) 2.769 21.338 ( -2.464 1.517 -0.576) 2.950 21.434 ( -4.612 -1.605 -4.740) 6.806 22.067 ( -0.722 1.910 0.652) 2.144 22.152 ( -0.330 0.469 -0.112) 0.584 22.166 ( -0.999 1.798 -2.042) 2.898 22.205 ( -0.578 6.306 0.500) 6.352 22.266 ( -1.589 4.717 0.887) 5.056 22.359 ( -1.267 0.428 -4.783) 4.967 22.625 ( 4.208 -4.196 3.025) 6.668 22.761 ( 9.494 1.453 -0.195) 9.607 22.805 ( -2.328 -1.495 0.459) 2.804 22.830 ( -5.720 1.245 2.121) 6.226 22.841 ( -0.039 -1.379 -0.121) 1.385 22.890 ( -6.563 -4.204 1.244) 7.892 22.973 ( -2.416 2.409 4.193) 5.406 23.009 ( -2.975 0.998 -0.537) 3.184 23.073 ( -9.334 0.921 -4.285) 10.312 23.131 ( -6.581 2.654 -0.833) 7.144 23.355 ( 4.848 -0.365 0.551) 4.893 23.507 ( 2.399 1.003 -0.283) 2.616 23.524 ( 3.865 0.730 8.510) 9.375 23.571 ( -0.491 2.990 7.392) 7.989 23.761 ( 10.803 -4.231 -0.309) 11.606 23.831 ( -2.462 4.064 -3.601) 5.962 23.865 ( -0.344 -9.053 -3.037) 9.555 24.075 ( 8.730 2.410 -6.612) 11.214 24.253 ( 2.437 6.638 -0.126) 7.072 24.503 ( 4.005 10.871 -5.856) 12.981 24.790 ( 7.247 -1.365 -0.805) 7.419 24.842 ( 10.267 2.414 -0.873) 10.583 24.929 ( 2.202 -2.933 1.618) 4.009 24.994 ( 4.179 -3.661 3.548) 6.592 25.120 ( 0.771 -1.149 2.406) 2.775 25.127 ( 3.565 4.284 -3.385) 6.521 25.180 ( 3.423 1.855 -2.211) 4.477 25.377 ( 2.475 0.872 -4.791) 5.462 25.540 ( -0.131 -5.597 2.799) 6.259 25.626 ( 2.310 -1.955 0.089) 3.028 25.835 ( -0.067 2.324 1.844) 2.967 25.880 ( 7.077 -1.804 2.473) 7.710 25.915 ( 1.594 -2.767 1.994) 3.764 26.005 ( 2.545 -0.488 0.513) 2.641 26.780 ( -1.949 0.166 5.925) 6.240 26.945 ( 0.608 -2.308 -0.162) 2.392 27.047 ( -2.433 1.898 -3.631) 4.765 27.138 ( -1.366 -1.785 -5.807) 6.227 27.581 ( -24.832 0.824 2.924) 25.017 27.667 ( -22.196 -1.034 2.626) 22.374 27.699 ( -22.018 0.421 -1.605) 22.080 27.732 ( -24.299 -0.167 0.023) 24.300 30.670 ( 18.920 4.439 0.516) 19.441 30.764 ( 11.443 5.887 -4.035) 13.487 31.114 ( 0.366 3.522 6.027) 6.990 31.252 ( 9.291 -2.248 -0.161) 9.561 31.295 ( 11.341 -5.252 3.470) 12.971 31.486 ( 12.039 -5.686 -2.519) 13.550 31.705 ( 5.450 -7.749 0.454) 9.485 31.847 ( 0.001 -4.987 -4.098) 6.455 35.005 ( -0.877 3.123 1.690) 3.658 35.076 ( -2.561 5.430 0.445) 6.020 35.120 ( -3.786 8.084 -0.919) 8.973 35.129 ( -3.577 7.160 -0.365) 8.012 35.399 ( 2.982 -3.028 1.766) 4.602 35.527 ( -0.574 -3.388 -2.901) 4.497 35.625 ( -3.328 -4.103 1.946) 5.630 35.709 ( -6.139 -4.807 -1.428) 7.927 39.755 ( 14.082 1.169 1.039) 14.169 39.850 ( 10.245 -0.970 -1.978) 10.479 39.903 ( 8.760 -0.562 -3.981) 9.638 39.924 ( 13.026 -0.396 -3.432) 13.477 40.171 ( 0.528 1.452 9.093) 9.223 40.398 ( -2.848 -3.333 11.009) 11.850 40.586 ( -8.902 5.032 -8.127) 13.062 40.891 ( -2.761 -1.251 -7.904) 8.465 41.163 ( 15.460 4.734 -0.076) 16.169 41.350 ( 12.125 0.543 -2.295) 12.352 41.544 ( 8.721 0.417 5.198) 10.161 41.622 ( 11.347 2.148 5.377) 12.739 41.714 ( 2.231 4.562 -1.006) 5.177 41.876 ( 11.103 -3.876 -5.438) 12.956 42.111 ( 5.267 -6.269 5.428) 9.824 42.336 ( -5.244 -5.563 -4.043) 8.648 98.223 ( 24.854 1.062 0.548) 24.883 98.252 ( 24.320 2.579 -0.512) 24.462 98.355 ( 24.021 -1.615 2.467) 24.201 98.513 ( 19.945 -3.428 -3.597) 20.554 99.563 ( -16.991 0.861 0.620) 17.024 99.591 ( -17.784 1.218 -0.481) 17.833 99.648 ( -15.468 -1.029 1.465) 15.571 99.706 ( -19.074 -1.354 -0.817) 19.139 ======================= Grid point 71 (30/54) ======================= q-point: ( 0.45 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.238 ( 11.997 3.278 2.320) 12.652 4.345 ( 9.223 9.031 0.737) 12.929 4.401 ( -2.048 3.041 -0.639) 3.721 4.501 ( -5.823 3.728 -0.661) 6.945 4.594 ( 5.726 -1.119 -1.561) 6.040 4.689 ( -3.637 1.737 -1.435) 4.279 4.752 ( 9.773 3.425 -8.905) 13.658 4.818 ( 2.929 5.004 -11.509) 12.887 5.198 ( 13.772 2.798 11.000) 17.847 5.422 ( -4.884 0.851 9.365) 10.596 5.613 ( 8.977 6.388 -1.301) 11.095 5.780 ( -3.900 10.660 -4.543) 12.226 5.893 ( 8.884 7.562 6.612) 13.410 6.018 ( 3.936 -3.830 9.033) 10.572 6.108 ( 8.011 -0.368 1.405) 8.142 6.332 ( -12.572 7.303 1.649) 14.633 6.392 ( 5.037 5.211 -1.557) 7.413 6.473 ( -6.329 6.995 1.423) 9.540 6.667 ( 8.518 5.757 3.449) 10.844 6.934 ( -12.294 -7.738 -7.671) 16.427 7.531 ( 12.627 -15.916 -2.787) 20.507 7.787 ( -9.036 -18.350 -0.752) 20.468 7.889 ( 7.228 -19.799 -8.632) 22.776 7.997 ( -0.399 -27.902 -2.697) 28.035 8.106 ( 12.189 -10.529 6.213) 17.264 8.276 ( -0.153 -10.125 5.206) 11.386 8.378 ( 13.134 -8.370 -2.252) 15.736 8.405 ( 5.447 -6.163 -1.782) 8.416 8.716 ( 1.807 12.238 0.282) 12.374 8.800 ( 9.811 5.975 -1.553) 11.592 8.830 ( 6.488 1.945 2.161) 7.110 8.845 ( 4.148 1.952 6.133) 7.657 8.931 ( 4.024 0.249 9.766) 10.565 9.098 ( 3.544 -0.590 0.963) 3.719 9.277 ( 1.992 2.034 -2.145) 3.565 9.423 ( -1.610 3.256 4.721) 5.957 9.621 ( 13.864 1.251 -5.677) 15.033 9.798 ( 0.287 -5.064 -12.721) 13.695 9.885 ( -6.067 -1.357 -14.681) 15.943 9.908 ( -5.906 -2.760 -19.399) 20.465 10.449 ( 7.805 6.344 6.133) 11.780 10.561 ( 4.056 8.185 10.228) 13.713 10.653 ( 0.802 7.777 1.092) 7.894 10.759 ( 7.915 10.529 5.234) 14.174 10.865 ( 8.016 11.968 11.866) 18.663 10.909 ( -10.126 1.793 0.413) 10.292 10.962 ( -10.624 1.704 0.761) 10.787 11.017 ( -15.411 1.508 5.418) 16.405 11.261 ( 1.943 5.349 1.738) 5.950 11.309 ( -2.664 5.681 -4.931) 7.980 11.431 ( -2.053 9.415 -4.978) 10.846 11.550 ( -1.800 -1.289 -5.989) 6.385 11.682 ( 5.002 -3.324 -1.344) 6.154 11.833 ( 0.655 -3.217 0.989) 3.429 11.918 ( -3.462 0.300 1.986) 4.002 11.953 ( -1.444 -1.946 -6.639) 7.067 12.286 ( 1.183 -2.755 12.068) 12.435 12.427 ( -6.103 3.663 5.588) 9.049 12.692 ( 11.556 -8.231 4.218) 14.802 12.743 ( 12.372 -2.441 -0.415) 12.617 12.786 ( 4.375 -7.195 6.167) 10.438 12.980 ( -6.800 -2.300 -10.422) 12.655 13.127 ( 2.123 -12.313 -3.637) 13.013 13.214 ( 1.120 -12.577 -3.370) 13.069 13.566 ( 12.943 2.999 7.602) 15.307 13.750 ( -1.884 -4.018 3.507) 5.656 13.794 ( 5.018 2.063 8.911) 10.432 13.928 ( -9.673 5.610 5.889) 12.638 14.286 ( 10.408 4.858 -17.498) 20.931 14.424 ( -2.355 4.187 -10.898) 11.910 14.535 ( -6.549 9.713 -10.468) 15.710 14.691 ( -24.580 4.458 -15.395) 29.344 15.400 ( 12.214 0.723 18.198) 21.929 15.694 ( -1.245 1.720 14.892) 15.043 15.977 ( -7.875 10.496 4.079) 13.741 16.141 ( 27.230 -11.123 -1.419) 29.448 16.296 ( 23.244 -2.183 -5.584) 24.005 16.465 ( -32.168 8.246 -6.207) 33.783 16.601 ( -10.307 -9.200 15.222) 20.557 17.162 ( -43.589 -7.320 -7.823) 44.886 18.219 ( 8.854 6.334 0.365) 10.892 18.332 ( -4.950 10.028 -2.281) 11.413 18.477 ( -15.139 10.775 -0.480) 18.588 18.633 ( -16.431 10.718 -4.297) 20.083 19.155 ( 5.617 -12.064 4.295) 13.984 19.254 ( -0.928 -11.914 7.599) 14.161 19.456 ( 8.408 -11.665 -4.777) 15.152 19.537 ( 1.040 -10.036 -1.740) 10.239 19.756 ( 5.434 2.425 2.010) 6.281 19.913 ( -7.334 -0.830 1.028) 7.452 19.941 ( 4.692 1.312 -5.219) 7.139 20.020 ( 4.251 -4.153 0.899) 6.011 20.067 ( 3.072 -0.951 0.007) 3.215 20.114 ( -0.980 -0.684 0.669) 1.370 20.131 ( -8.192 -2.533 -1.979) 8.800 20.236 ( -12.930 -1.150 -5.095) 13.945 20.882 ( 2.086 0.341 4.259) 4.754 20.938 ( -1.214 -1.469 2.620) 3.240 20.967 ( -0.372 -0.962 2.694) 2.884 20.992 ( -0.674 -1.408 -0.181) 1.572 21.167 ( 5.997 2.289 0.002) 6.419 21.212 ( 5.885 2.306 -1.104) 6.416 21.283 ( -3.691 1.645 -0.675) 4.097 21.342 ( -5.403 0.572 -3.469) 6.446 22.088 ( 2.911 2.885 0.459) 4.124 22.155 ( 0.256 3.136 -1.834) 3.642 22.159 ( -2.543 4.157 0.137) 4.875 22.182 ( -0.870 2.218 -0.636) 2.466 22.287 ( 7.178 0.740 1.744) 7.424 22.394 ( 4.955 0.056 -2.901) 5.741 22.527 ( -13.189 -2.704 0.663) 13.479 22.549 ( -10.078 -2.593 -0.165) 10.408 22.781 ( 1.095 -1.416 1.980) 2.669 22.783 ( 0.106 -1.393 1.952) 2.400 22.829 ( -2.825 -1.802 0.780) 3.441 22.862 ( -6.067 -2.773 2.116) 6.998 22.924 ( 2.010 3.728 -0.066) 4.236 22.974 ( -1.851 2.205 0.042) 2.879 23.008 ( -0.676 0.464 -2.472) 2.604 23.021 ( -3.218 2.010 -2.134) 4.354 23.477 ( 6.876 1.370 4.231) 8.189 23.562 ( -0.365 1.736 8.410) 8.595 23.634 ( 6.898 -0.429 3.792) 7.883 23.655 ( 3.995 2.581 1.744) 5.066 23.805 ( -0.188 6.475 -2.974) 7.128 23.834 ( 0.421 -2.687 -1.766) 3.243 23.952 ( 3.408 0.621 -3.796) 5.139 24.060 ( -6.108 -0.216 -7.741) 9.863 24.549 ( 18.377 3.761 2.107) 18.875 24.740 ( 16.781 3.274 -5.673) 18.014 24.847 ( -8.314 -0.325 2.267) 8.623 24.952 ( 5.079 -1.424 -0.622) 5.311 25.007 ( -1.365 -2.197 -0.797) 2.707 25.071 ( 8.751 -1.537 -1.129) 8.957 25.110 ( -0.538 0.346 0.517) 0.822 25.153 ( 2.214 2.304 1.207) 3.416 25.248 ( 1.075 3.622 1.809) 4.189 25.361 ( -4.193 -0.412 -4.102) 5.880 25.496 ( -2.925 2.988 -1.328) 4.387 25.589 ( -10.572 5.286 -3.934) 12.457 25.789 ( 4.396 -3.713 6.400) 8.607 25.904 ( -2.584 -6.633 4.498) 8.421 26.013 ( 3.347 -4.623 -1.453) 5.889 26.037 ( 0.423 -3.143 -0.429) 3.200 26.826 ( 7.828 2.140 6.318) 10.284 27.003 ( 6.569 -1.729 1.093) 6.880 27.093 ( 5.883 0.574 -3.257) 6.749 27.108 ( -15.427 0.594 2.628) 15.661 27.164 ( -0.159 -0.025 -3.736) 3.739 27.263 ( -17.260 -1.213 1.875) 17.404 27.306 ( -14.630 0.346 -0.102) 14.634 27.326 ( -13.379 -0.157 -3.375) 13.799 30.948 ( 8.005 5.401 0.668) 9.679 31.016 ( 10.600 4.940 0.275) 11.698 31.083 ( -1.064 6.209 2.663) 6.839 31.233 ( -5.864 4.860 -1.678) 7.799 31.573 ( 10.650 -8.725 2.230) 13.947 31.699 ( 6.342 -8.981 -2.360) 11.245 31.727 ( -1.662 -8.859 0.316) 9.019 31.818 ( -2.948 -6.465 -2.670) 7.590 35.002 ( 0.749 4.627 1.620) 4.959 35.035 ( -2.185 5.932 1.282) 6.450 35.060 ( -0.739 6.723 -0.187) 6.766 35.076 ( -1.859 6.958 -0.289) 7.208 35.480 ( 4.648 -3.899 0.445) 6.084 35.536 ( 1.123 -3.722 -1.273) 4.091 35.571 ( -2.358 -3.828 -0.220) 4.501 35.593 ( -4.932 -4.066 -0.799) 6.442 39.989 ( 5.287 0.428 0.506) 5.328 40.028 ( 4.125 0.326 3.573) 5.467 40.047 ( 11.267 1.476 -0.452) 11.372 40.147 ( 1.709 -2.906 1.965) 3.902 40.284 ( 10.617 -1.024 -0.924) 10.706 40.310 ( 0.383 -0.911 2.422) 2.616 40.369 ( -10.400 4.441 -4.147) 12.045 40.648 ( -16.461 -2.439 -7.903) 18.422 41.433 ( 9.219 5.689 4.046) 11.564 41.515 ( 1.942 3.256 5.155) 6.399 41.651 ( 5.444 5.363 -2.686) 8.100 41.731 ( -1.359 4.457 -2.311) 5.201 41.933 ( 13.637 -3.816 3.012) 14.477 42.067 ( 5.656 -6.162 -1.797) 8.555 42.154 ( -1.472 -5.221 0.342) 5.435 42.204 ( -6.556 -3.643 -1.231) 7.601 98.722 ( 23.457 1.107 0.325) 23.486 98.741 ( 23.055 1.907 -0.370) 23.137 98.837 ( 22.842 -1.369 1.386) 22.925 98.919 ( 19.341 -2.141 -1.754) 19.538 99.177 ( -20.449 1.230 0.394) 20.490 99.194 ( -20.805 1.143 -0.263) 20.838 99.291 ( -21.095 -1.293 0.347) 21.137 99.305 ( -17.993 -1.368 -0.178) 18.046 ======================= Grid point 77 (31/54) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 0.000 40.971 -4.271) 41.193 2.106 ( 0.000 28.645 29.605) 41.195 2.606 ( 0.000 -18.698 21.532) 28.517 2.726 ( 0.000 -38.030 -20.970) 43.428 2.871 ( 0.000 28.119 -6.104) 28.774 3.020 ( 0.000 0.235 -31.756) 31.757 3.558 ( 0.000 0.995 -7.399) 7.465 3.747 ( 0.000 -1.207 -29.620) 29.645 3.962 ( 0.000 -9.125 -27.590) 29.060 4.060 ( 0.000 -22.368 15.528) 27.229 4.305 ( 0.000 17.414 -8.884) 19.549 4.596 ( 0.000 0.536 0.183) 0.567 4.760 ( 0.000 9.369 32.111) 33.450 5.105 ( 0.000 -9.395 15.642) 18.246 5.459 ( 0.000 18.020 -0.829) 18.039 5.579 ( 0.000 11.596 8.969) 14.660 5.650 ( 0.000 -1.345 15.860) 15.917 5.760 ( 0.000 -12.985 3.109) 13.352 5.775 ( 0.000 7.853 31.182) 32.156 6.298 ( 0.000 -28.062 -0.540) 28.068 6.319 ( 0.000 7.924 -12.958) 15.189 6.475 ( 0.000 -6.536 -1.947) 6.820 6.949 ( 0.000 12.162 10.099) 15.809 7.028 ( 0.000 2.298 1.696) 2.856 7.174 ( 0.000 8.692 12.893) 15.550 7.267 ( 0.000 -1.686 19.951) 20.022 7.298 ( 0.000 7.179 -5.535) 9.065 7.568 ( 0.000 -18.508 -7.561) 19.993 7.720 ( 0.000 -2.846 5.855) 6.510 7.852 ( 0.000 -11.531 -4.644) 12.431 8.028 ( 0.000 8.864 -23.255) 24.887 8.174 ( 0.000 10.204 -16.370) 19.290 8.357 ( 0.000 -8.712 -20.159) 21.961 8.574 ( 0.000 -16.267 -8.007) 18.131 8.776 ( 0.000 10.217 -21.653) 23.942 8.877 ( 0.000 0.332 -22.233) 22.236 9.126 ( 0.000 11.328 5.226) 12.476 9.159 ( 0.000 -0.446 9.149) 9.159 9.316 ( 0.000 -9.147 -2.497) 9.482 9.375 ( 0.000 -11.296 -5.991) 12.786 9.528 ( 0.000 5.995 11.649) 13.101 9.629 ( 0.000 2.658 0.709) 2.751 9.766 ( 0.000 2.036 2.056) 2.893 9.882 ( 0.000 -8.625 -1.351) 8.730 10.662 ( 0.000 5.187 0.349) 5.199 10.669 ( 0.000 2.114 2.248) 3.086 10.887 ( 0.000 -0.122 1.092) 1.098 10.912 ( 0.000 -3.590 2.587) 4.425 11.040 ( 0.000 -0.571 8.434) 8.453 11.068 ( 0.000 -1.592 16.051) 16.130 11.544 ( 0.000 2.102 8.258) 8.521 11.586 ( 0.000 -2.923 7.022) 7.607 11.951 ( 0.000 16.812 0.675) 16.826 12.180 ( 0.000 4.554 -6.592) 8.012 12.208 ( 0.000 -5.888 -6.227) 8.570 12.257 ( 0.000 -3.940 -6.565) 7.657 12.606 ( 0.000 3.082 5.759) 6.532 12.712 ( 0.000 -5.319 9.953) 11.285 12.801 ( 0.000 -0.867 9.511) 9.550 12.861 ( 0.000 -5.668 17.125) 18.038 13.123 ( 0.000 4.384 -8.968) 9.982 13.242 ( 0.000 -6.303 -7.770) 10.005 13.545 ( 0.000 13.361 3.388) 13.784 13.808 ( 0.000 -7.077 -13.911) 15.608 14.010 ( 0.000 14.222 9.845) 17.297 14.369 ( 0.000 -16.468 -6.127) 17.571 15.047 ( 0.000 16.841 -11.219) 20.236 15.174 ( 0.000 3.402 11.139) 11.647 15.203 ( 0.000 -0.940 3.558) 3.680 15.288 ( 0.000 -6.448 -17.060) 18.238 15.725 ( 0.000 4.761 22.865) 23.356 15.991 ( 0.000 -19.007 26.907) 32.943 16.291 ( 0.000 3.437 -32.157) 32.341 16.359 ( 0.000 -3.104 -33.069) 33.214 16.875 ( 0.000 12.087 -22.243) 25.315 17.140 ( 0.000 -13.080 -22.188) 25.756 17.795 ( 0.000 3.171 30.798) 30.961 17.858 ( 0.000 -2.825 30.855) 30.984 18.291 ( 0.000 15.048 18.240) 23.646 18.549 ( 0.000 -3.919 13.330) 13.894 18.630 ( 0.000 -2.524 16.351) 16.544 18.644 ( 0.000 -9.191 8.747) 12.688 18.845 ( 0.000 3.360 -13.259) 13.678 18.922 ( 0.000 -3.900 -14.407) 14.926 19.176 ( 0.000 2.464 -11.037) 11.309 19.199 ( 0.000 0.075 -5.850) 5.851 19.298 ( 0.000 6.458 -6.893) 9.446 19.430 ( 0.000 -6.131 -10.314) 11.999 19.668 ( 0.000 6.918 1.122) 7.008 19.723 ( 0.000 3.636 0.451) 3.664 19.834 ( 0.000 -8.440 -1.774) 8.624 19.863 ( 0.000 -10.750 0.237) 10.753 19.936 ( 0.000 10.285 8.233) 13.175 20.157 ( 0.000 -9.928 7.759) 12.600 20.454 ( 0.000 5.946 -11.909) 13.311 20.528 ( 0.000 -1.197 -9.604) 9.678 20.955 ( 0.000 5.135 5.263) 7.353 21.068 ( 0.000 -5.701 4.865) 7.494 21.318 ( 0.000 2.813 -9.053) 9.480 21.375 ( 0.000 -2.704 -3.836) 4.693 21.590 ( 0.000 2.098 1.085) 2.362 21.634 ( 0.000 -2.124 -1.350) 2.516 21.784 ( 0.000 3.606 -2.922) 4.641 21.887 ( 0.000 -5.233 -6.287) 8.180 22.031 ( 0.000 3.323 6.588) 7.378 22.087 ( 0.000 -2.448 5.933) 6.418 22.147 ( 0.000 1.880 3.123) 3.645 22.169 ( 0.000 -0.429 2.997) 3.027 22.346 ( 0.000 3.640 4.257) 5.601 22.439 ( 0.000 -5.282 4.565) 6.981 22.714 ( 0.000 9.702 -11.427) 14.990 22.866 ( 0.000 4.771 5.242) 7.088 22.888 ( 0.000 -7.262 -13.797) 15.592 23.000 ( 0.000 -7.076 3.886) 8.073 23.088 ( 0.000 4.949 -1.853) 5.284 23.203 ( 0.000 -5.476 -4.296) 6.960 23.209 ( 0.000 2.238 3.639) 4.272 23.246 ( 0.000 -1.404 3.534) 3.803 23.388 ( 0.000 3.445 -3.861) 5.174 23.406 ( 0.000 0.356 -1.293) 1.342 23.427 ( 0.000 9.425 5.876) 11.107 23.592 ( 0.000 -5.910 5.542) 8.102 23.699 ( 0.000 10.364 2.193) 10.593 23.811 ( 0.000 15.053 3.258) 15.402 23.914 ( 0.000 -11.198 11.133) 15.791 24.131 ( 0.000 -12.618 -10.353) 16.322 24.249 ( 0.000 15.585 5.604) 16.562 24.325 ( 0.000 4.380 -1.884) 4.768 24.384 ( 0.000 -2.944 -2.737) 4.020 24.466 ( 0.000 -4.310 -0.067) 4.311 24.524 ( 0.000 1.916 -2.739) 3.342 24.536 ( 0.000 0.011 -2.260) 2.260 24.559 ( 0.000 1.207 2.182) 2.493 24.616 ( 0.000 -2.426 -0.784) 2.550 24.652 ( 0.000 0.649 -1.357) 1.504 24.691 ( 0.000 -2.059 -2.567) 3.291 24.756 ( 0.000 1.854 4.175) 4.568 24.831 ( 0.000 -4.597 6.837) 8.239 24.957 ( 0.000 2.029 -3.368) 3.932 24.981 ( 0.000 0.013 -1.540) 1.540 25.183 ( 0.000 -2.164 5.482) 5.894 25.239 ( 0.000 -9.175 15.240) 17.788 25.770 ( 0.000 17.512 -21.625) 27.827 26.093 ( 0.000 -13.883 -18.720) 23.306 27.130 ( 0.000 3.174 4.408) 5.432 27.235 ( 0.000 -7.435 7.181) 10.336 27.414 ( 0.000 9.706 -8.632) 12.989 27.616 ( 0.000 -9.873 -11.785) 15.374 28.990 ( 0.000 0.423 1.912) 1.958 29.004 ( 0.000 -0.875 2.443) 2.594 29.030 ( 0.000 0.755 0.016) 0.755 29.045 ( 0.000 -0.907 1.166) 1.477 29.601 ( 0.000 1.732 6.472) 6.700 29.627 ( 0.000 -0.645 8.229) 8.254 29.934 ( 0.000 4.206 -5.686) 7.073 30.039 ( 0.000 -5.712 -6.838) 8.910 30.825 ( 0.000 10.383 10.068) 14.463 31.019 ( 0.000 -8.028 8.908) 11.992 31.192 ( 0.000 10.988 -2.868) 11.356 31.387 ( 0.000 -8.030 -4.085) 9.009 35.208 ( 0.000 5.577 5.750) 8.010 35.333 ( 0.000 -6.295 6.549) 9.084 35.615 ( 0.000 13.929 0.446) 13.936 35.695 ( 0.000 9.763 -1.711) 9.912 35.703 ( 0.000 5.123 -17.241) 17.986 35.854 ( 0.000 5.077 -9.386) 10.671 35.971 ( 0.000 -17.120 2.327) 17.277 36.077 ( 0.000 -14.312 -1.670) 14.410 38.975 ( 0.000 0.759 4.008) 4.080 38.999 ( 0.000 -1.600 3.787) 4.111 39.162 ( 0.000 1.541 10.074) 10.191 39.239 ( 0.000 -4.560 2.177) 5.053 39.382 ( 0.000 2.296 2.905) 3.703 39.444 ( 0.000 -6.835 20.994) 22.078 39.759 ( 0.000 -0.570 10.435) 10.451 39.771 ( 0.000 -1.335 9.887) 9.977 40.048 ( 0.000 1.726 -4.158) 4.502 40.087 ( 0.000 -1.980 -4.238) 4.678 40.466 ( 0.000 5.455 -30.692) 31.173 40.619 ( 0.000 -9.725 -24.525) 26.383 41.678 ( 0.000 4.210 26.948) 27.275 41.716 ( 0.000 -0.052 28.042) 28.042 42.609 ( 0.000 4.536 -12.664) 13.452 42.686 ( 0.000 -1.787 -18.011) 18.100 96.811 ( 0.000 0.136 0.015) 0.137 96.814 ( 0.000 0.251 -0.089) 0.267 96.814 ( 0.000 -0.127 0.033) 0.131 96.819 ( 0.000 -0.224 -0.187) 0.292 100.293 ( 0.000 1.197 4.141) 4.310 100.340 ( 0.000 -3.887 7.854) 8.763 100.458 ( 0.000 5.036 -2.361) 5.562 100.575 ( 0.000 -6.185 -2.583) 6.703 ======================= Grid point 78 (32/54) ======================= q-point: ( 0.09 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 27.208 31.451 1.027) 41.599 2.761 ( 31.758 17.173 6.986) 36.773 2.856 ( 23.413 -17.367 -3.553) 29.367 3.173 ( 28.795 4.500 -24.313) 37.955 3.286 ( 26.410 -0.345 -19.852) 33.041 3.435 ( 51.302 -11.383 9.248) 53.357 3.752 ( 29.875 10.612 3.770) 31.928 4.045 ( 24.651 -7.217 -6.964) 26.613 4.201 ( 18.191 0.200 -15.177) 23.692 4.366 ( 28.000 -17.840 -2.650) 33.306 4.425 ( 14.499 10.431 -3.619) 18.225 4.692 ( 3.621 -11.172 4.930) 12.737 4.787 ( 14.555 18.720 17.602) 29.531 5.110 ( 2.504 -7.956 8.780) 12.110 5.337 ( -9.972 22.655 -5.712) 25.403 5.610 ( 6.833 1.690 2.887) 7.608 5.759 ( 9.338 -0.535 25.278) 26.953 5.858 ( 4.350 -10.356 7.160) 13.320 6.001 ( -2.518 1.036 -2.522) 3.711 6.066 ( 17.399 -4.471 13.147) 22.261 6.554 ( 5.442 -0.948 -4.206) 6.943 6.654 ( 14.510 -12.325 -0.260) 19.039 6.932 ( -1.270 6.109 4.679) 7.799 6.970 ( -0.808 4.047 8.009) 9.010 7.213 ( 4.826 10.209 8.091) 13.892 7.298 ( 6.484 2.370 13.458) 15.125 7.412 ( 7.936 2.501 8.416) 11.835 7.645 ( 5.965 -18.406 -3.563) 19.674 7.778 ( 3.624 -3.788 6.942) 8.699 7.898 ( 2.630 -10.977 2.666) 11.598 8.098 ( 8.346 10.120 -27.990) 30.911 8.218 ( 2.246 12.877 -8.619) 15.657 8.378 ( 4.168 -12.390 -24.818) 28.051 8.544 ( -1.770 -17.729 -9.000) 19.961 8.799 ( 2.453 7.813 -20.810) 22.364 8.867 ( -0.431 -1.503 -19.596) 19.658 9.139 ( 1.369 9.271 3.717) 10.081 9.208 ( 5.470 10.304 -1.255) 11.733 9.310 ( 2.068 -5.512 0.621) 5.920 9.529 ( 8.151 -6.988 -10.283) 14.867 9.591 ( 6.862 2.796 10.553) 12.895 9.666 ( 3.207 4.405 0.720) 5.496 9.816 ( 6.032 -3.973 1.612) 7.400 9.922 ( 4.995 -10.757 -0.273) 11.864 10.540 ( -7.631 11.665 3.571) 14.389 10.723 ( 1.330 -4.684 1.853) 5.210 10.891 ( 0.477 0.686 2.326) 2.471 10.961 ( 3.209 -2.620 -7.031) 8.160 11.048 ( 1.181 1.171 7.221) 7.410 11.096 ( 3.720 -5.028 21.568) 22.457 11.539 ( -0.737 1.745 4.871) 5.226 11.563 ( -1.155 0.010 7.866) 7.950 11.982 ( 2.801 13.783 2.476) 14.281 12.102 ( -3.141 2.321 -6.152) 7.287 12.235 ( -0.672 -1.847 -5.126) 5.490 12.312 ( 3.922 -6.649 -2.557) 8.132 12.607 ( -1.300 2.470 7.355) 7.867 12.642 ( -5.490 -1.546 8.974) 10.633 12.775 ( -5.128 -2.092 14.311) 15.345 12.822 ( -0.495 -5.132 10.869) 12.030 13.113 ( -1.116 4.239 -10.125) 11.033 13.228 ( -1.468 -6.207 -10.073) 11.923 13.506 ( -5.772 9.558 -1.931) 11.331 13.632 ( -16.474 1.568 -17.701) 24.232 13.947 ( -4.078 8.576 18.326) 20.640 14.229 ( -9.790 -14.295 6.848) 18.631 14.688 ( -19.744 5.667 -8.179) 22.110 14.704 ( -16.833 4.814 -4.681) 18.123 15.519 ( -17.796 3.057 24.030) 30.058 15.653 ( -22.500 -7.918 11.758) 26.593 15.771 ( 30.718 6.483 -6.272) 32.015 15.917 ( 26.137 -5.873 -9.297) 28.356 16.168 ( -17.584 0.871 -25.106) 30.663 16.255 ( -7.492 -8.249 -19.263) 22.254 16.668 ( -16.056 10.977 -19.791) 27.748 16.887 ( -20.010 -9.764 -18.015) 28.640 17.587 ( -22.424 1.530 27.041) 35.163 17.627 ( -17.627 -2.420 25.763) 31.310 18.126 ( -17.198 9.093 4.089) 19.879 18.254 ( -22.531 -3.456 -0.550) 22.801 18.560 ( 0.183 4.842 19.403) 19.999 18.722 ( 4.449 -9.982 12.453) 16.568 18.999 ( 8.721 2.083 -5.346) 10.439 19.069 ( 7.631 -3.867 -7.341) 11.273 19.212 ( 3.315 2.684 -8.345) 9.372 19.252 ( 4.510 -0.719 -5.318) 7.010 19.339 ( 3.478 5.625 -5.549) 8.633 19.446 ( 1.749 -4.509 -7.435) 8.870 19.687 ( 1.536 6.156 0.639) 6.376 19.750 ( 2.206 2.624 -0.287) 3.440 19.840 ( 0.540 -8.024 -2.364) 8.382 19.874 ( 0.663 -9.543 -0.103) 9.567 19.958 ( 2.124 9.330 8.528) 12.817 20.166 ( 0.953 -9.391 8.074) 12.421 20.450 ( -0.409 6.647 -10.105) 12.102 20.548 ( 1.786 -2.792 -8.930) 9.525 20.978 ( 2.018 4.288 4.073) 6.249 21.066 ( -0.685 -3.975 3.368) 5.255 21.232 ( -6.858 0.318 -4.601) 8.264 21.254 ( -9.004 -1.731 -2.395) 9.476 21.599 ( 1.963 5.509 -0.683) 5.888 21.675 ( 2.311 -2.124 -2.448) 3.980 21.773 ( -0.958 2.438 -3.094) 4.054 21.857 ( -1.338 -3.346 -5.893) 6.908 21.936 ( -7.324 3.223 6.253) 10.156 22.004 ( -7.478 -3.779 6.672) 10.710 22.096 ( -1.284 0.375 2.416) 2.761 22.114 ( -1.977 -0.372 0.968) 2.232 22.347 ( -2.046 3.709 3.795) 5.687 22.429 ( -3.574 -4.229 3.656) 6.635 22.663 ( -4.291 6.518 -10.476) 13.064 22.795 ( -6.389 -5.236 -10.541) 13.392 22.951 ( -5.122 6.762 2.609) 8.875 23.006 ( -2.371 2.352 2.031) 3.909 23.109 ( -1.872 0.125 0.404) 1.919 23.138 ( -7.088 -0.914 2.497) 7.571 23.221 ( 5.881 2.515 4.942) 8.083 23.279 ( 6.100 -1.699 3.627) 7.297 23.440 ( 4.882 3.846 -1.535) 6.402 23.506 ( 6.400 -1.145 -0.823) 6.554 23.544 ( 5.315 4.255 1.790) 7.040 23.601 ( 1.448 -0.967 0.643) 1.856 23.735 ( -5.089 6.221 -2.294) 8.358 23.765 ( -0.661 3.480 0.378) 3.562 23.896 ( 0.519 1.666 9.049) 9.216 24.033 ( -5.478 -7.247 -4.635) 10.198 24.137 ( -4.668 0.899 1.975) 5.148 24.219 ( -9.358 -3.511 -1.338) 10.084 24.370 ( -6.373 6.111 -0.747) 8.861 24.404 ( -10.883 4.587 -2.102) 11.996 24.462 ( -0.325 -1.321 -0.418) 1.423 24.471 ( -1.782 -1.046 -1.558) 2.588 24.567 ( -0.900 2.012 -0.430) 2.246 24.598 ( -0.475 1.793 -1.628) 2.469 24.662 ( 4.076 -3.772 0.128) 5.555 24.673 ( 4.883 -5.640 -0.564) 7.481 24.827 ( 7.306 1.158 7.411) 10.471 24.893 ( 7.686 -5.122 7.277) 11.758 25.083 ( 8.694 2.830 -3.266) 9.709 25.121 ( 12.044 -0.573 -3.076) 12.444 25.316 ( 10.146 -0.660 6.148) 11.881 25.373 ( 9.890 -5.928 10.840) 15.826 25.811 ( 2.212 11.512 -14.275) 18.471 26.046 ( -4.142 -10.802 -14.201) 18.316 27.090 ( -3.580 6.677 2.538) 7.990 27.258 ( 0.806 -6.189 0.801) 6.292 27.309 ( -8.795 4.271 -4.931) 10.951 27.488 ( -10.256 -9.438 -7.742) 15.943 28.861 ( -11.421 1.117 2.032) 11.654 28.884 ( -11.413 -0.995 2.516) 11.730 28.914 ( -10.910 0.362 0.125) 10.917 28.926 ( -10.657 -0.724 0.267) 10.685 29.683 ( 8.228 2.115 6.788) 10.875 29.730 ( 10.700 -2.656 8.012) 13.628 30.049 ( 10.415 4.530 -6.988) 13.335 30.162 ( 11.586 -6.188 -8.925) 15.880 30.900 ( 6.776 8.247 10.122) 14.710 31.054 ( 3.211 -6.350 9.651) 11.990 31.256 ( 5.910 10.540 -3.248) 12.513 31.449 ( 5.431 -8.125 -4.970) 10.964 35.187 ( -1.812 5.618 5.258) 7.905 35.310 ( -2.038 -5.981 5.898) 8.644 35.544 ( -6.371 11.183 -2.937) 13.201 35.616 ( -5.989 7.661 -8.764) 13.091 35.664 ( -3.963 8.727 -2.917) 10.019 35.747 ( -7.972 3.609 -5.993) 10.606 35.895 ( -6.903 -14.349 2.347) 16.095 35.964 ( -7.275 -12.083 0.803) 14.127 39.041 ( 6.807 0.807 3.832) 7.853 39.076 ( 6.472 -2.521 4.458) 8.253 39.342 ( 9.431 3.340 -9.037) 13.482 39.406 ( 9.451 -2.162 -10.476) 14.274 39.598 ( 24.934 8.529 15.379) 30.512 39.795 ( 16.868 -3.311 12.682) 21.362 39.880 ( 10.671 -2.387 10.318) 15.034 39.943 ( 27.772 -16.319 15.954) 35.946 40.164 ( 11.088 1.568 -4.475) 12.059 40.205 ( 11.088 -2.198 -4.338) 12.107 40.580 ( 10.747 6.167 -26.713) 29.446 40.739 ( 10.866 -9.471 -20.527) 25.083 41.678 ( 0.016 2.770 24.350) 24.507 41.697 ( -1.416 0.539 25.369) 25.414 42.502 ( -9.760 4.816 -11.486) 15.823 42.588 ( -8.548 -2.733 -15.777) 18.151 96.941 ( 12.302 0.454 0.629) 12.326 96.951 ( 13.356 -0.333 0.952) 13.394 96.985 ( 14.969 1.671 -0.944) 15.092 97.049 ( 19.589 -4.748 -3.116) 20.396 100.246 ( -4.558 1.065 3.730) 5.985 100.284 ( -5.245 -2.916 6.816) 9.081 100.398 ( -5.746 4.590 -2.234) 7.686 100.503 ( -6.792 -5.480 -2.575) 9.099 ======================= Grid point 79 (33/54) ======================= q-point: ( 0.18 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( 37.579 19.128 4.484) 42.405 3.264 ( 26.221 -16.522 -6.293) 31.625 3.433 ( 24.564 25.982 21.727) 41.839 3.665 ( 19.513 3.672 -14.809) 24.770 3.810 ( 28.059 -5.520 -31.187) 42.314 4.078 ( 21.319 -24.380 12.609) 34.755 4.444 ( 13.983 13.519 -9.109) 21.477 4.592 ( 15.104 11.887 -4.684) 19.783 4.650 ( 15.469 -2.285 1.248) 15.687 4.811 ( 10.871 0.273 -0.687) 10.897 4.985 ( 10.006 11.251 -4.862) 15.822 5.055 ( 41.177 -4.197 -2.645) 41.475 5.302 ( 19.541 2.702 4.325) 20.195 5.361 ( 32.741 -1.935 9.555) 34.161 5.501 ( 39.562 3.096 -0.850) 39.692 5.734 ( 11.144 -12.898 -14.319) 22.262 5.862 ( 10.239 3.594 14.808) 18.358 5.985 ( 10.557 -5.053 18.714) 22.073 6.334 ( 20.804 2.900 -2.151) 21.115 6.406 ( 12.157 -2.314 8.955) 15.276 6.648 ( 10.563 5.962 4.842) 13.060 6.920 ( 15.657 -17.098 -2.193) 23.288 6.990 ( 10.680 9.411 1.994) 14.374 7.150 ( 9.999 -7.679 -1.042) 12.650 7.374 ( 18.080 17.849 9.933) 27.279 7.526 ( 11.548 3.436 9.483) 15.333 7.632 ( 12.566 -1.742 15.664) 20.157 7.763 ( 4.790 -14.545 4.563) 15.978 7.845 ( 4.063 -8.544 4.327) 10.404 7.976 ( 8.454 -15.885 5.144) 18.716 8.177 ( -1.767 6.610 -3.788) 7.821 8.338 ( 2.707 -2.165 -9.788) 10.384 8.448 ( 11.311 1.505 -11.380) 16.115 8.650 ( 7.566 -11.349 -9.439) 16.588 8.892 ( 8.360 4.967 -18.989) 21.335 8.937 ( 8.582 -0.271 -21.756) 23.389 9.186 ( 3.238 7.339 -3.548) 8.772 9.351 ( 3.498 -0.968 -5.379) 6.489 9.401 ( 10.923 11.988 -7.164) 17.730 9.656 ( 4.818 -4.103 -9.165) 11.138 9.791 ( 11.575 7.556 1.153) 13.871 9.798 ( 12.002 14.449 4.090) 19.223 9.997 ( 10.490 -12.155 -1.740) 16.150 10.137 ( 15.838 -13.764 -0.824) 20.999 10.397 ( -4.481 10.457 7.497) 13.625 10.687 ( -4.055 -13.931 2.958) 14.808 10.937 ( 3.607 4.276 1.413) 5.770 10.993 ( -0.502 -0.261 -11.199) 11.213 11.122 ( 6.452 2.988 6.145) 9.398 11.217 ( 7.294 -7.071 16.609) 19.469 11.511 ( -0.009 5.571 2.592) 6.144 11.615 ( 5.855 -4.014 4.383) 8.343 12.004 ( -2.262 9.433 -0.066) 9.701 12.102 ( 3.169 9.036 -1.799) 9.743 12.206 ( -1.899 -6.532 0.765) 6.845 12.358 ( 0.246 -8.149 4.168) 9.156 12.469 ( -9.540 2.076 11.187) 14.848 12.546 ( -5.342 -4.681 7.505) 10.333 12.701 ( -2.754 2.566 10.271) 10.939 12.761 ( -7.862 -1.711 4.056) 9.011 13.022 ( -11.472 3.872 -7.936) 14.477 13.109 ( -13.390 -3.921 -11.931) 18.358 13.295 ( -7.985 3.357 -7.056) 11.173 13.323 ( -7.062 1.033 -11.925) 13.898 13.904 ( -1.515 10.097 17.446) 20.214 14.056 ( -8.616 -3.462 11.059) 14.440 14.347 ( -12.346 8.304 -7.163) 16.513 14.448 ( -7.603 -1.428 -2.047) 8.002 14.989 ( -36.018 -2.089 15.523) 39.277 15.035 ( -26.658 -6.782 10.185) 29.332 15.542 ( -37.081 4.609 -12.982) 39.557 15.708 ( -34.097 -10.787 -17.706) 39.906 16.290 ( -5.577 8.358 -7.331) 12.438 16.445 ( -2.021 -4.628 -9.264) 10.551 16.525 ( 20.573 9.813 -12.634) 26.061 16.730 ( 22.379 -7.699 -15.534) 28.309 17.013 ( -31.085 4.422 21.052) 37.803 17.131 ( -29.545 -6.830 16.851) 34.691 17.647 ( -27.861 4.889 -7.888) 29.366 17.717 ( -28.598 -1.997 -9.010) 30.051 18.597 ( 1.512 6.029 24.205) 24.991 18.769 ( -0.847 -9.804 12.928) 16.247 19.110 ( 0.900 1.091 -3.110) 3.417 19.157 ( 1.387 -2.284 -4.921) 5.600 19.270 ( 1.742 2.980 -4.135) 5.386 19.339 ( 2.965 -1.792 -2.120) 4.061 19.420 ( 3.317 3.608 -3.932) 6.283 19.486 ( 0.954 -2.642 -1.685) 3.275 19.718 ( 1.229 4.373 -0.213) 4.547 19.786 ( 0.768 1.497 -0.976) 1.946 19.852 ( 0.446 -7.136 -3.704) 8.052 19.874 ( -0.544 -7.183 -1.313) 7.323 20.018 ( 3.514 7.141 8.172) 11.407 20.195 ( 1.966 -8.553 8.386) 12.138 20.430 ( -1.863 8.125 -6.656) 10.667 20.582 ( 0.725 -6.249 -7.133) 9.511 21.003 ( -0.968 2.121 1.388) 2.713 21.019 ( -3.147 0.980 0.989) 3.441 21.093 ( -4.969 -0.316 -1.389) 5.170 21.116 ( -4.766 -2.383 -0.714) 5.376 21.567 ( -11.998 5.901 0.709) 13.390 21.612 ( -4.203 6.468 -1.064) 7.787 21.675 ( -13.543 -1.881 1.703) 13.778 21.789 ( -8.166 -7.275 -2.286) 11.174 21.955 ( 7.949 -0.249 3.271) 8.600 21.976 ( 10.452 -1.942 2.601) 10.945 22.077 ( 2.304 2.914 -2.908) 4.717 22.126 ( 3.076 -1.047 -5.680) 6.544 22.286 ( -1.638 2.695 4.718) 5.675 22.340 ( -1.851 -2.241 5.254) 6.004 22.567 ( -4.515 4.838 -6.676) 9.400 22.658 ( -6.838 -3.132 -5.482) 9.307 22.774 ( -7.721 9.212 -1.652) 12.133 22.845 ( -9.393 11.450 -0.335) 14.814 22.955 ( -6.034 -7.075 1.253) 9.383 23.049 ( -6.026 -6.767 -1.462) 9.179 23.241 ( -5.992 4.793 10.094) 12.679 23.346 ( -6.413 -3.765 4.508) 8.696 23.405 ( -6.382 2.711 2.741) 7.456 23.469 ( -9.025 0.651 2.084) 9.285 23.522 ( -3.014 3.418 -0.885) 4.642 23.571 ( -1.633 7.361 -2.201) 7.855 23.615 ( -8.935 -2.740 -3.362) 9.932 23.772 ( 3.839 -6.827 -7.395) 10.772 23.922 ( -9.345 4.399 1.226) 10.401 24.008 ( -9.198 -3.565 3.293) 10.399 24.058 ( 6.077 4.911 3.159) 8.428 24.137 ( -8.367 3.060 -1.656) 9.062 24.209 ( 2.438 -0.124 -0.690) 2.537 24.230 ( 3.279 -0.535 4.106) 5.282 24.497 ( 5.169 -1.522 -2.387) 5.893 24.525 ( 7.461 -3.160 -3.725) 8.918 24.636 ( 6.495 5.605 -0.193) 8.581 24.702 ( 6.534 2.321 -1.911) 7.193 24.775 ( 7.470 -4.718 -2.398) 9.155 24.805 ( 8.127 -4.843 -2.228) 9.719 25.024 ( 10.885 2.107 7.649) 13.469 25.109 ( 9.491 -5.554 7.031) 13.053 25.275 ( 9.802 3.995 -4.728) 11.592 25.358 ( 9.785 -3.443 -4.418) 11.274 25.536 ( 10.763 1.725 7.387) 13.168 25.586 ( 10.500 -2.375 8.169) 13.514 25.832 ( 0.465 6.004 -3.946) 7.199 25.958 ( -3.504 -5.717 -5.580) 8.724 26.983 ( -6.534 7.204 1.875) 9.905 27.105 ( -9.576 0.804 -1.202) 9.684 27.229 ( -4.006 -4.919 -3.857) 7.424 27.299 ( -7.055 -6.575 -5.489) 11.096 28.551 ( -18.556 0.899 2.161) 18.703 28.568 ( -18.735 -0.391 1.928) 18.838 28.608 ( -18.290 0.623 0.065) 18.301 28.630 ( -17.811 -1.188 -0.540) 17.859 29.949 ( 17.535 4.394 6.093) 19.076 30.073 ( 21.923 -7.881 6.475) 24.179 30.324 ( 15.442 5.972 -8.746) 18.725 30.474 ( 17.631 -8.311 -10.283) 22.037 31.071 ( 8.876 3.759 9.208) 13.330 31.140 ( 5.061 -2.665 11.272) 12.640 31.405 ( 7.673 8.502 -3.854) 12.083 31.576 ( 6.212 -7.861 -6.050) 11.704 35.146 ( -1.909 5.490 4.312) 7.238 35.263 ( -2.224 -5.332 4.697) 7.446 35.406 ( -6.218 8.666 -3.479) 11.219 35.486 ( -5.987 7.612 -3.489) 10.294 35.567 ( -4.821 2.644 -2.762) 6.153 35.595 ( -6.682 6.989 -2.423) 9.968 35.728 ( -8.311 -10.690 3.091) 13.889 35.825 ( -6.621 -10.534 -0.792) 12.467 39.232 ( 11.325 0.672 3.441) 11.855 39.258 ( 11.088 -1.847 3.311) 11.718 39.527 ( 9.019 2.777 -10.731) 14.290 39.585 ( 8.192 -2.649 -11.193) 14.121 40.028 ( 10.729 3.970 12.140) 16.681 40.112 ( 12.244 -3.728 11.698) 17.340 40.242 ( 29.877 13.679 9.482) 34.200 40.461 ( 17.352 0.226 -6.045) 18.376 40.504 ( 17.712 -1.997 -4.682) 18.429 40.622 ( 28.025 -18.808 5.659) 34.223 40.868 ( 15.774 5.619 -18.024) 24.602 41.009 ( 14.074 -8.223 -12.791) 20.720 41.659 ( -0.858 2.858 18.303) 18.544 41.710 ( 2.735 -2.085 18.376) 18.695 42.254 ( -12.973 6.543 -8.447) 16.807 42.392 ( -9.147 -6.308 -11.453) 15.957 97.286 ( 20.507 1.576 1.320) 20.610 97.320 ( 21.524 -1.194 2.143) 21.663 97.376 ( 21.864 3.964 -1.781) 22.292 97.503 ( 23.027 -8.035 -4.856) 24.867 100.108 ( -8.793 0.918 2.774) 9.266 100.135 ( -9.149 -1.699 4.679) 10.415 100.227 ( -10.693 3.605 -1.849) 11.434 100.308 ( -11.947 -4.038 -2.309) 12.821 ======================= Grid point 80 (34/54) ======================= q-point: ( 0.27 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.589 ( 29.804 11.509 6.647) 32.633 3.802 ( 24.327 -8.811 -2.195) 25.967 3.902 ( 23.637 12.251 14.147) 30.148 4.022 ( 15.746 -1.108 -3.360) 16.138 4.336 ( 19.332 0.790 -14.369) 24.100 4.439 ( 10.923 -5.050 6.132) 13.506 4.719 ( 11.751 9.632 -2.054) 15.332 4.835 ( 7.391 14.762 -4.479) 17.105 4.879 ( 4.163 2.950 -8.485) 9.901 4.957 ( 15.928 3.724 -6.493) 17.599 5.140 ( 14.185 -6.946 -8.870) 18.114 5.358 ( 10.225 -13.036 -13.546) 21.401 5.763 ( 13.260 6.301 10.228) 17.892 5.804 ( 6.084 3.409 14.295) 15.906 5.973 ( 13.878 9.197 12.534) 20.840 6.071 ( 1.339 -1.891 5.773) 6.220 6.271 ( 28.445 0.174 -0.275) 28.446 6.410 ( 26.567 -12.657 0.267) 29.429 6.568 ( 8.170 2.789 2.465) 8.978 6.662 ( 10.577 -6.012 0.209) 12.168 7.076 ( 15.881 6.647 5.217) 17.989 7.183 ( 10.684 -0.928 -4.037) 11.459 7.287 ( 12.022 8.673 -6.820) 16.318 7.454 ( 21.886 -9.319 -6.485) 24.656 7.634 ( 0.564 -5.576 -0.822) 5.664 7.747 ( -1.895 -18.665 4.734) 19.349 7.837 ( 9.682 -1.742 2.359) 10.116 7.953 ( 3.711 -7.849 -0.088) 8.683 7.998 ( 22.638 6.318 7.689) 24.729 8.251 ( 9.025 -11.238 5.848) 15.554 8.318 ( 23.818 2.241 8.040) 25.238 8.470 ( 17.552 -8.171 7.959) 20.933 8.767 ( 12.677 6.097 1.264) 14.124 8.852 ( 17.527 -0.495 -3.467) 17.873 9.144 ( 12.275 2.464 -8.106) 14.915 9.198 ( 18.033 1.757 -9.244) 20.340 9.291 ( 9.198 3.056 -12.065) 15.476 9.396 ( 2.636 -0.224 -4.909) 5.576 9.640 ( 8.233 5.217 -9.144) 13.364 9.757 ( 5.261 -3.516 -13.129) 14.574 10.043 ( 16.109 15.117 2.535) 22.237 10.086 ( 14.275 8.039 10.353) 19.380 10.270 ( 12.659 1.370 4.853) 13.626 10.407 ( 4.010 -4.724 6.556) 9.020 10.583 ( 28.409 -4.519 -8.594) 30.023 10.704 ( 10.062 -6.776 -1.597) 12.236 10.958 ( 0.746 -2.198 -2.264) 3.243 10.989 ( 0.682 -3.574 -2.724) 4.545 11.320 ( 11.644 3.257 -2.496) 12.346 11.395 ( 9.744 -3.772 2.380) 10.716 11.545 ( 1.750 6.591 0.433) 6.833 11.703 ( -1.529 -7.267 -1.084) 7.505 11.929 ( -4.247 12.962 1.586) 13.732 12.093 ( -4.908 7.565 -2.248) 9.294 12.214 ( 0.028 -4.224 7.336) 8.465 12.240 ( -10.964 -3.188 3.802) 12.034 12.314 ( -9.278 -2.644 9.754) 13.719 12.350 ( -15.146 -8.242 0.474) 17.250 12.504 ( -9.952 1.205 -3.214) 10.527 12.545 ( -11.372 -3.880 0.886) 12.048 12.816 ( -1.451 6.548 8.054) 10.481 12.928 ( 1.207 -1.670 0.162) 2.067 13.208 ( -8.547 2.975 -1.092) 9.115 13.246 ( -2.221 2.568 -10.692) 11.218 13.740 ( -11.644 7.388 3.516) 14.231 13.885 ( -9.479 -6.040 5.058) 12.326 14.228 ( -8.750 10.073 3.122) 13.703 14.266 ( -18.618 0.593 18.782) 26.453 14.394 ( -10.742 -0.673 5.282) 11.989 14.513 ( -16.889 -4.019 -19.674) 26.238 14.921 ( -16.972 -0.153 -7.410) 18.520 15.038 ( -23.354 -7.970 -14.462) 28.602 16.052 ( -17.251 5.264 11.103) 21.180 16.128 ( -22.187 -2.066 8.720) 23.929 16.413 ( -25.251 -1.347 16.417) 30.148 16.468 ( -29.084 -6.047 15.183) 33.361 16.958 ( -13.901 5.373 -12.297) 19.321 16.999 ( -21.136 0.837 -12.516) 24.578 17.195 ( 15.173 11.329 -18.619) 26.557 17.379 ( 9.953 -4.453 -25.321) 27.569 18.580 ( -2.714 -2.358 22.520) 22.805 18.644 ( -12.176 -7.610 13.470) 19.688 19.031 ( -8.169 1.794 -6.466) 10.571 19.103 ( -6.838 -4.530 -5.534) 9.895 19.296 ( 0.219 3.342 1.678) 3.746 19.336 ( -4.878 0.789 1.259) 5.099 19.421 ( -4.785 0.355 -0.077) 4.798 19.433 ( -4.937 -1.459 0.450) 5.167 19.727 ( 0.237 2.676 1.085) 2.898 19.779 ( -0.837 -0.945 -0.569) 1.385 19.871 ( 2.070 -3.559 -3.942) 5.700 19.875 ( 0.853 -4.607 -3.554) 5.881 20.088 ( 2.568 6.033 6.160) 8.997 20.228 ( -0.264 -6.074 6.326) 8.774 20.365 ( -4.184 7.012 -3.858) 9.031 20.545 ( -4.676 -8.889 -5.352) 11.380 20.938 ( -3.573 1.907 0.735) 4.116 20.960 ( -3.514 -0.125 1.927) 4.010 21.030 ( -1.724 1.181 -2.464) 3.231 21.058 ( -0.427 -0.966 -1.148) 1.560 21.276 ( -14.258 3.962 4.781) 15.551 21.320 ( -16.765 0.414 4.529) 17.371 21.460 ( -7.430 2.001 -0.979) 7.757 21.531 ( -11.732 -4.715 -2.700) 12.929 22.107 ( 1.749 2.368 -1.049) 3.125 22.154 ( 1.677 -1.946 -0.022) 2.569 22.215 ( 7.628 3.998 -2.302) 8.914 22.283 ( 8.327 -0.796 2.427) 8.710 22.334 ( 5.475 3.193 -5.443) 8.354 22.381 ( 2.394 1.095 -0.274) 2.646 22.547 ( 3.646 2.481 -2.627) 5.133 22.563 ( 2.385 0.504 -1.073) 2.663 22.661 ( 0.853 8.594 1.800) 8.822 22.808 ( 4.222 1.122 -3.392) 5.531 22.863 ( -3.328 -7.784 -1.789) 8.653 22.905 ( -6.779 -7.910 -0.191) 10.419 23.097 ( -6.636 2.043 6.569) 9.558 23.136 ( -9.678 -1.070 3.842) 10.467 23.299 ( -6.013 2.583 -2.211) 6.908 23.329 ( -6.999 -0.207 -2.909) 7.583 23.356 ( -3.500 1.530 7.533) 8.447 23.404 ( -8.458 -1.798 4.020) 9.536 23.627 ( 1.606 5.556 -2.556) 6.323 23.687 ( -9.782 3.273 2.286) 10.566 23.707 ( -9.868 -2.230 0.084) 10.117 23.805 ( -7.622 -6.822 -0.416) 10.238 24.007 ( -3.077 6.026 -4.705) 8.241 24.081 ( -0.048 0.959 -7.505) 7.567 24.310 ( 7.158 7.147 7.446) 12.560 24.452 ( 8.961 -4.552 5.184) 11.309 24.636 ( 7.099 0.689 -1.928) 7.389 24.693 ( 7.167 -3.719 -3.806) 8.926 24.785 ( 7.475 2.911 1.641) 8.187 24.824 ( 6.039 0.413 0.769) 6.102 24.964 ( 10.346 -0.540 -5.507) 11.733 25.007 ( 9.263 -3.519 -4.878) 11.044 25.196 ( 4.933 3.573 4.558) 7.608 25.266 ( 7.399 -1.723 5.192) 9.201 25.428 ( 3.644 0.519 -5.092) 6.283 25.498 ( 3.869 -4.222 -5.115) 7.678 25.732 ( 7.747 2.212 5.935) 10.007 25.777 ( 7.181 -1.449 5.850) 9.375 25.864 ( 2.909 3.209 -0.166) 4.335 25.933 ( 1.195 -2.850 -0.258) 3.101 26.860 ( -4.692 3.080 4.101) 6.951 26.942 ( -5.828 -3.403 2.486) 7.192 27.146 ( -3.529 -0.258 -6.022) 6.985 27.171 ( -5.440 -1.789 -5.589) 8.001 28.110 ( -23.883 0.953 2.470) 24.029 28.130 ( -23.524 -0.930 2.271) 23.652 28.184 ( -22.518 1.116 -0.564) 22.553 28.209 ( -22.757 -1.188 -0.726) 22.800 30.370 ( 22.265 7.645 3.791) 23.845 30.566 ( 24.149 -9.938 3.122) 26.300 30.651 ( 16.001 6.709 -7.057) 18.731 30.840 ( 17.166 -9.796 -7.836) 21.262 31.209 ( 4.379 3.243 8.828) 10.375 31.277 ( 7.598 -2.464 9.565) 12.462 31.540 ( 4.966 5.002 -4.109) 8.159 31.679 ( 3.428 -7.429 -5.908) 10.092 35.116 ( -1.013 5.547 3.538) 6.657 35.228 ( -1.101 -4.419 3.555) 5.777 35.296 ( -4.517 8.008 -1.140) 9.265 35.386 ( -3.852 5.660 -3.178) 7.548 35.460 ( -6.295 7.713 -0.551) 9.971 35.485 ( -3.090 -0.417 -2.675) 4.109 35.588 ( -5.022 -7.655 2.261) 9.430 35.690 ( -6.383 -9.638 -1.574) 11.667 39.492 ( 13.837 1.216 2.208) 14.065 39.524 ( 14.434 -1.782 1.364) 14.607 39.712 ( 8.969 1.540 -8.662) 12.563 39.746 ( 7.597 -1.706 -9.285) 12.118 40.190 ( 4.648 4.391 13.446) 14.889 40.289 ( 4.780 -5.044 13.138) 14.862 40.743 ( 10.297 4.149 -8.597) 14.041 40.759 ( 12.254 2.638 -6.045) 13.917 40.903 ( 21.717 6.829 -0.489) 22.771 41.085 ( 18.597 -6.060 3.300) 19.836 41.162 ( 12.646 2.407 -6.035) 14.218 41.306 ( 15.405 -11.395 -5.207) 19.856 41.673 ( 2.509 5.569 10.751) 12.365 41.808 ( 6.487 -7.099 10.914) 14.547 42.035 ( -6.867 10.394 -5.156) 13.483 42.250 ( -4.622 -10.027 -7.377) 13.279 97.751 ( 24.181 2.196 1.516) 24.328 97.798 ( 24.390 -1.551 2.286) 24.546 97.848 ( 23.619 4.184 -1.723) 24.048 97.970 ( 22.446 -6.876 -3.940) 23.804 99.887 ( -12.735 1.036 1.734) 12.894 99.912 ( -12.592 -1.327 2.702) 12.947 99.965 ( -14.755 2.656 -1.271) 15.046 100.023 ( -15.659 -2.812 -1.637) 15.994 ======================= Grid point 81 (35/54) ======================= q-point: ( 0.36 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.055 ( 17.190 8.400 6.919) 20.345 4.211 ( 15.446 -5.764 1.424) 16.548 4.318 ( 12.906 4.352 -2.257) 13.805 4.391 ( 20.436 -1.039 2.231) 20.584 4.537 ( 2.387 2.687 5.145) 6.276 4.580 ( 4.506 -0.107 -2.378) 5.096 4.820 ( -0.021 6.189 -2.901) 6.835 4.898 ( -1.219 1.910 -7.314) 7.657 5.073 ( 14.912 13.298 3.419) 20.271 5.293 ( 15.323 2.280 -1.014) 15.525 5.549 ( 21.666 -3.730 -6.160) 22.832 5.721 ( 21.036 -5.621 -11.593) 24.667 5.786 ( -3.214 7.277 8.338) 11.524 5.910 ( 2.845 -1.750 3.695) 4.981 6.124 ( 5.611 11.727 -1.743) 13.117 6.252 ( 11.498 4.618 4.725) 13.261 6.630 ( 7.175 -7.684 -6.036) 12.122 6.680 ( 2.337 4.823 -0.077) 5.360 6.726 ( 6.365 -3.227 3.830) 8.099 6.794 ( 0.249 1.770 -1.807) 2.542 7.265 ( -7.852 1.221 -3.061) 8.516 7.359 ( 9.853 1.088 -0.353) 9.919 7.497 ( 12.971 -5.016 8.834) 16.476 7.537 ( -6.553 -14.914 1.477) 16.357 7.639 ( 0.343 -17.699 4.469) 18.257 7.751 ( 5.874 -21.182 5.235) 22.596 8.101 ( 15.551 2.629 -6.213) 16.951 8.173 ( 16.416 -3.227 -10.497) 19.750 8.429 ( 20.041 3.918 5.865) 21.246 8.536 ( 15.454 -4.456 5.886) 17.127 8.656 ( 12.682 7.456 6.846) 16.226 8.794 ( 13.720 -4.206 2.150) 14.511 9.050 ( 6.415 5.106 3.669) 8.983 9.073 ( 7.234 5.202 -3.006) 9.403 9.283 ( 3.577 -0.288 3.076) 4.727 9.352 ( -0.777 -3.392 2.538) 4.307 9.447 ( 1.003 5.582 -9.074) 10.701 9.623 ( 6.537 -7.652 -15.297) 18.311 9.841 ( 8.883 -0.032 -15.415) 17.791 9.854 ( 6.693 -1.134 -15.263) 16.704 10.411 ( 14.481 8.305 8.513) 18.739 10.453 ( 13.207 3.373 13.815) 19.408 10.538 ( 18.120 1.037 7.336) 19.576 10.623 ( 17.032 -1.324 5.374) 17.909 10.908 ( 9.537 9.812 10.181) 17.055 11.046 ( 11.102 1.938 -1.090) 11.323 11.096 ( 15.452 0.929 -2.486) 15.678 11.182 ( 10.449 -2.389 -4.841) 11.761 11.380 ( -5.630 1.613 1.220) 5.982 11.462 ( -9.599 -4.768 -0.716) 10.742 11.586 ( -1.410 2.170 -6.593) 7.083 11.621 ( -1.907 1.070 -7.432) 7.747 11.812 ( -10.316 8.713 0.167) 13.504 11.852 ( -13.880 5.722 -0.984) 15.045 11.910 ( -13.805 -3.313 1.833) 14.315 12.033 ( -2.560 -3.932 -2.029) 5.112 12.193 ( 3.118 -2.678 6.587) 7.764 12.292 ( 0.067 -9.452 2.813) 9.862 12.427 ( 3.971 -0.882 -2.793) 4.934 12.457 ( 2.730 -4.574 -3.829) 6.560 12.900 ( -8.444 8.866 4.802) 13.151 12.986 ( 7.341 4.802 4.866) 10.031 13.048 ( -4.767 -0.152 -3.385) 5.849 13.091 ( -9.228 -7.379 -3.956) 12.460 13.504 ( -6.922 2.616 8.162) 11.017 13.664 ( -8.365 -10.819 8.103) 15.896 13.904 ( -6.240 7.254 9.268) 13.321 14.037 ( -3.376 -3.964 10.450) 11.675 14.393 ( -1.635 4.499 -15.479) 16.202 14.420 ( 2.595 3.481 -15.700) 16.289 14.759 ( 2.300 8.774 -15.621) 18.064 14.976 ( 5.673 -9.997 -17.219) 20.703 15.506 ( -22.021 7.547 17.787) 29.296 15.688 ( -17.838 -9.907 12.442) 23.899 15.950 ( -16.163 5.146 11.791) 20.658 16.088 ( -11.690 -7.152 4.385) 14.389 16.528 ( -18.656 6.109 5.781) 20.464 16.613 ( -11.815 -2.339 10.799) 16.177 17.353 ( -18.347 11.577 -21.236) 30.358 17.526 ( -3.246 -3.660 -24.063) 24.556 18.343 ( -8.183 6.520 13.343) 16.956 18.620 ( 8.460 -18.075 8.852) 21.832 18.779 ( -14.629 6.255 -9.299) 18.429 18.944 ( -6.176 -8.208 -6.609) 12.214 19.102 ( -16.166 8.712 3.718) 18.737 19.200 ( -10.780 6.073 2.159) 12.560 19.257 ( -6.934 -4.707 3.869) 9.231 19.366 ( -3.326 -6.940 0.182) 7.698 19.746 ( 2.018 2.572 1.794) 3.729 19.819 ( 4.750 -3.534 0.688) 5.961 19.901 ( 1.723 -0.413 -4.642) 4.968 19.925 ( 2.541 -2.161 -3.653) 4.946 20.086 ( -2.796 2.562 3.314) 5.036 20.154 ( -5.733 -3.059 3.941) 7.600 20.265 ( -5.635 3.918 -3.630) 7.764 20.397 ( -9.363 -7.346 -5.938) 13.299 20.887 ( -0.950 0.949 2.637) 2.959 20.908 ( -0.744 -0.975 3.210) 3.436 20.991 ( -2.686 0.637 -0.232) 2.770 21.008 ( -4.806 -0.964 1.428) 5.106 21.135 ( 1.836 2.367 3.025) 4.257 21.155 ( 1.034 0.263 3.606) 3.760 21.365 ( -2.388 1.164 -2.439) 3.607 21.395 ( -2.812 -1.850 -3.640) 4.957 22.109 ( 0.120 2.003 0.577) 2.088 22.142 ( -0.234 -1.096 1.092) 1.565 22.238 ( -1.149 4.318 -4.691) 6.478 22.308 ( -2.637 -1.101 -5.893) 6.549 22.380 ( -1.008 6.402 2.157) 6.830 22.416 ( 0.051 7.689 1.400) 7.816 22.526 ( -2.605 -4.599 2.280) 5.756 22.644 ( -6.417 -9.901 -1.746) 11.927 22.813 ( -2.042 0.129 -0.525) 2.112 22.819 ( -0.658 -0.763 0.017) 1.008 22.858 ( 3.357 2.669 -0.681) 4.342 22.881 ( 4.849 0.800 -0.042) 4.915 22.990 ( -4.592 0.903 4.999) 6.848 23.026 ( -1.804 -1.510 -1.800) 2.962 23.112 ( -7.794 3.172 -2.307) 8.725 23.157 ( -7.471 -0.598 -1.929) 7.739 23.372 ( 5.462 2.584 3.153) 6.815 23.463 ( 8.056 -5.407 5.644) 11.224 23.543 ( -0.184 1.779 4.881) 5.199 23.589 ( 0.487 -2.085 7.237) 7.547 23.717 ( 4.549 0.639 -2.382) 5.175 23.736 ( 5.092 -1.428 -1.712) 5.559 23.979 ( -0.652 7.128 -6.099) 9.404 24.086 ( -0.282 -2.486 -9.496) 9.820 24.450 ( 8.314 11.461 7.435) 15.992 24.620 ( 7.984 -1.350 0.672) 8.126 24.757 ( 5.142 -0.599 -2.359) 5.689 24.808 ( 5.107 -5.381 -3.455) 8.184 24.915 ( 3.855 1.446 3.950) 5.705 24.942 ( 4.805 -0.733 3.485) 5.981 25.128 ( 3.924 1.646 -2.421) 4.896 25.163 ( 6.775 -0.639 -6.145) 9.169 25.261 ( 1.779 5.834 1.351) 6.247 25.400 ( 4.716 -6.238 4.567) 9.056 25.439 ( -0.383 3.976 -5.149) 6.517 25.552 ( 2.796 -5.183 -3.810) 7.014 25.836 ( 1.067 -0.406 6.384) 6.485 25.862 ( 2.022 -2.040 1.590) 3.283 25.909 ( -0.428 3.194 0.010) 3.223 25.972 ( 1.233 -2.560 -0.309) 2.859 26.805 ( -0.165 2.570 5.036) 5.656 26.878 ( -0.176 -4.012 2.765) 4.876 27.082 ( -1.738 1.385 -5.441) 5.877 27.106 ( -1.162 -1.225 -6.249) 6.473 27.605 ( -24.185 1.459 3.173) 24.436 27.638 ( -23.192 -1.657 3.105) 23.457 27.712 ( -22.386 0.721 -1.255) 22.433 27.725 ( -23.336 -0.513 -0.627) 23.350 30.810 ( 19.370 9.232 1.319) 21.498 30.934 ( 13.059 10.249 -4.182) 17.119 31.034 ( 18.694 -11.599 1.825) 22.075 31.152 ( 12.834 -8.070 -2.672) 15.394 31.272 ( 1.938 4.782 6.781) 8.521 31.404 ( 4.435 -4.647 4.945) 8.107 31.591 ( -0.247 0.635 -3.732) 3.793 31.708 ( -0.777 -7.770 -4.774) 9.152 35.108 ( 0.323 6.261 2.958) 6.932 35.212 ( -0.971 1.087 1.372) 2.001 35.226 ( -1.973 4.726 1.258) 5.274 35.297 ( -5.110 5.517 -0.828) 7.566 35.381 ( -0.912 4.723 -0.813) 4.878 35.442 ( -1.014 -2.498 -2.169) 3.461 35.513 ( -2.611 -6.325 0.117) 6.844 35.569 ( -5.299 -8.518 -1.483) 10.141 39.787 ( 14.250 1.815 0.363) 14.370 39.823 ( 13.204 -1.629 -0.514) 13.314 39.898 ( 8.562 0.122 -4.743) 9.789 39.909 ( 10.045 -0.853 -4.469) 11.027 40.226 ( -0.470 3.751 10.627) 11.279 40.314 ( -1.722 -4.566 11.086) 12.112 40.706 ( -8.650 6.224 -9.841) 14.506 40.824 ( -7.270 -4.971 -10.639) 13.811 41.322 ( 17.481 9.320 2.387) 19.954 41.408 ( 13.467 5.747 1.507) 14.719 41.470 ( 16.128 -5.388 4.547) 17.601 41.610 ( 12.861 -10.983 -1.388) 16.970 41.764 ( 5.757 8.592 3.856) 11.038 41.935 ( 4.303 -3.072 2.080) 5.681 41.982 ( 0.968 4.126 -1.438) 4.476 42.177 ( -3.381 -9.554 -4.237) 10.985 98.258 ( 24.754 2.198 1.206) 24.881 98.303 ( 24.494 -1.111 1.570) 24.570 98.332 ( 23.340 2.949 -1.065) 23.550 98.424 ( 21.795 -4.891 -2.524) 22.480 99.587 ( -16.421 1.476 0.852) 16.509 99.618 ( -16.286 -0.954 0.952) 16.342 99.627 ( -17.762 1.395 -0.418) 17.821 99.669 ( -18.666 -2.101 -0.761) 18.799 ======================= Grid point 82 (36/54) ======================= q-point: ( 0.45 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.337 ( 10.643 6.046 4.643) 13.092 4.453 ( 7.418 -2.913 3.508) 8.707 4.498 ( -2.561 3.328 4.082) 5.856 4.526 ( 4.362 4.811 1.265) 6.616 4.617 ( 2.169 1.455 -1.304) 2.920 4.713 ( 7.648 -3.783 -5.238) 10.012 4.751 ( -4.334 3.006 -1.894) 5.604 4.853 ( -3.707 -3.361 -6.776) 8.424 5.375 ( 13.275 14.143 9.532) 21.613 5.553 ( 2.090 8.649 8.116) 12.043 5.684 ( 3.322 -4.704 10.724) 12.173 5.810 ( -1.792 -6.815 5.909) 9.197 6.045 ( 11.683 8.880 -10.223) 17.884 6.132 ( 9.906 11.817 -14.436) 21.123 6.230 ( 8.817 9.884 -9.100) 16.070 6.419 ( 2.065 -1.858 -8.226) 8.683 6.627 ( -5.890 17.696 2.082) 18.767 6.641 ( -3.747 3.119 -0.694) 4.925 6.782 ( 1.865 5.081 -2.519) 5.970 6.820 ( 0.602 3.586 0.204) 3.642 7.137 ( 1.852 -15.342 0.426) 15.460 7.316 ( -9.857 -23.091 -0.546) 25.113 7.371 ( -4.543 -25.665 -2.640) 26.198 7.405 ( -7.638 -23.674 -0.649) 24.884 7.991 ( 18.911 1.099 10.812) 21.811 8.124 ( 20.239 -9.997 10.722) 24.990 8.248 ( -4.129 3.171 6.507) 8.333 8.347 ( 0.198 -4.469 -0.013) 4.474 8.801 ( 13.493 0.386 3.090) 13.848 8.816 ( 12.271 -0.516 3.295) 12.716 8.885 ( 4.923 4.161 -0.471) 6.463 8.950 ( -1.081 -1.335 -1.607) 2.352 9.095 ( -0.255 13.119 0.524) 13.132 9.150 ( 0.497 6.749 5.699) 8.847 9.294 ( -0.201 -1.871 0.643) 1.989 9.356 ( -0.850 -7.839 5.801) 9.789 9.591 ( 15.304 -1.428 -12.159) 19.598 9.653 ( 5.975 -7.114 -14.819) 17.490 9.867 ( -7.767 -0.543 -17.755) 19.387 9.870 ( -7.490 -0.652 -18.362) 19.842 10.648 ( 10.432 10.818 7.490) 16.792 10.736 ( 14.573 5.944 7.248) 17.327 10.799 ( 6.719 2.885 7.419) 10.416 10.841 ( 5.564 -4.455 6.996) 9.987 10.916 ( -4.267 5.545 4.244) 8.183 11.060 ( -5.957 0.107 4.778) 7.637 11.101 ( -19.063 8.667 -1.361) 20.985 11.200 ( 2.922 11.462 4.983) 12.835 11.279 ( -5.272 2.717 4.530) 7.463 11.329 ( -21.723 0.166 -1.342) 21.765 11.514 ( -2.027 -7.311 -1.244) 7.688 11.559 ( 0.652 -3.616 -5.387) 6.521 11.681 ( 15.708 4.692 0.213) 16.395 11.748 ( 6.325 -5.002 1.764) 8.255 11.894 ( -1.142 8.865 -5.496) 10.493 12.027 ( -9.410 -0.205 -8.135) 12.440 12.268 ( 10.847 2.833 6.983) 13.208 12.451 ( 11.948 -13.371 3.851) 18.340 12.498 ( -6.335 3.244 4.160) 8.243 12.586 ( 4.582 -5.931 3.670) 8.345 12.781 ( 4.588 2.269 -6.650) 8.392 12.891 ( 0.265 -8.814 -4.086) 9.719 12.951 ( -7.959 -0.062 -9.964) 12.753 13.023 ( -5.978 -6.745 -6.691) 11.225 13.601 ( 12.635 1.674 14.185) 19.070 13.656 ( 7.029 -3.704 13.931) 16.037 13.850 ( -5.595 3.656 14.276) 15.763 13.936 ( -13.722 -3.792 14.480) 20.306 14.416 ( 10.329 6.029 -21.643) 24.727 14.482 ( 6.347 0.258 -18.811) 19.855 14.713 ( -11.933 5.968 -15.796) 20.677 14.764 ( -18.675 1.187 -21.363) 28.400 15.522 ( 18.992 12.102 17.967) 28.809 15.839 ( 19.313 -10.731 9.544) 24.067 15.854 ( 6.963 6.698 12.935) 16.145 16.125 ( 10.441 -8.259 0.756) 13.334 16.207 ( -0.527 5.425 5.525) 7.761 16.387 ( -9.456 -9.934 9.844) 16.882 16.702 ( -37.984 13.164 -8.522) 41.094 16.962 ( -40.900 -11.755 -8.402) 43.377 18.445 ( 8.799 15.176 2.020) 17.659 18.600 ( -1.858 15.354 -0.701) 15.482 18.734 ( -4.592 6.229 0.034) 7.738 18.807 ( -1.068 -5.399 -0.913) 5.579 18.926 ( -3.976 0.389 1.898) 4.423 18.989 ( -6.529 -3.930 1.821) 7.835 19.137 ( 0.886 -17.464 -2.859) 17.719 19.269 ( -6.550 -15.587 -2.482) 17.089 19.822 ( 4.856 3.982 0.883) 6.342 19.913 ( 2.881 -3.912 -0.309) 4.868 19.922 ( -2.972 0.617 -0.344) 3.054 19.956 ( 2.026 -1.250 -3.998) 4.653 20.050 ( 0.527 0.052 -0.067) 0.533 20.072 ( 1.227 -1.679 -0.815) 2.233 20.144 ( -6.142 1.924 -4.496) 7.851 20.194 ( -9.028 -2.610 -5.447) 10.862 20.897 ( 1.558 1.087 4.310) 4.710 20.921 ( 1.039 -0.720 3.634) 3.847 20.943 ( -1.431 -0.511 4.370) 4.626 20.961 ( -1.356 -1.532 2.748) 3.426 21.217 ( 5.232 2.118 0.144) 5.646 21.240 ( 5.303 0.077 -0.796) 5.363 21.315 ( -3.446 1.430 -1.944) 4.207 21.340 ( -3.656 -0.805 -3.048) 4.828 22.152 ( 4.430 2.922 0.734) 5.358 22.193 ( 4.755 -0.710 0.734) 4.864 22.238 ( 0.875 4.037 -3.044) 5.131 22.261 ( -4.169 3.569 -1.577) 5.710 22.346 ( -0.930 4.744 1.481) 5.056 22.381 ( 1.095 -0.321 -0.642) 1.310 22.450 ( -9.262 -4.522 0.717) 10.331 22.464 ( -4.987 -5.184 0.229) 7.197 22.763 ( -0.932 -0.443 2.430) 2.640 22.765 ( -1.032 -0.468 1.674) 2.022 22.803 ( -4.392 -0.260 2.117) 4.882 22.818 ( -6.086 -1.482 2.020) 6.581 22.986 ( 1.072 2.071 -2.672) 3.547 23.008 ( -0.678 0.039 -3.434) 3.500 23.020 ( -2.363 1.402 -2.342) 3.611 23.040 ( -3.716 -0.170 -3.042) 4.805 23.530 ( 7.571 3.758 5.326) 9.991 23.596 ( 2.836 0.457 8.647) 9.112 23.630 ( 3.116 -0.370 7.581) 8.205 23.634 ( 2.608 -3.200 5.678) 7.020 23.852 ( 7.959 3.932 -4.753) 10.070 23.917 ( 6.242 -0.399 -5.420) 8.276 23.960 ( -0.506 3.996 -4.677) 6.173 24.041 ( -4.218 -2.339 -6.878) 8.400 24.679 ( 11.866 8.425 3.121) 14.883 24.791 ( 7.572 0.944 -1.689) 7.815 24.848 ( 0.855 -1.057 0.223) 1.378 24.903 ( 1.434 -6.457 -1.598) 6.805 24.957 ( 4.791 2.180 1.890) 5.593 25.014 ( 3.708 -2.750 1.010) 4.726 25.120 ( -5.860 0.888 -3.272) 6.770 25.158 ( -6.403 -2.266 -4.199) 7.986 25.357 ( 7.779 7.591 4.611) 11.807 25.452 ( 2.605 6.612 0.086) 7.107 25.516 ( 5.568 -3.120 2.591) 6.889 25.611 ( 0.570 -4.013 -2.172) 4.599 25.786 ( -4.237 0.453 3.026) 5.226 25.806 ( -5.927 4.234 -0.348) 7.292 25.889 ( 0.125 -6.722 -1.489) 6.886 25.938 ( -4.081 -6.179 -1.900) 7.645 26.884 ( 8.444 3.335 4.788) 10.264 26.953 ( 7.885 -3.117 2.825) 8.937 27.104 ( 3.514 0.513 -3.423) 4.933 27.113 ( -2.198 -0.193 -2.496) 3.331 27.181 ( -11.452 1.792 1.418) 11.678 27.226 ( -15.572 -2.254 2.570) 15.942 27.315 ( -14.947 0.432 -1.166) 14.999 27.322 ( -14.392 -0.241 -2.571) 14.622 31.106 ( 8.830 9.670 1.290) 13.158 31.170 ( 7.291 9.754 1.880) 12.322 31.243 ( 2.500 6.707 1.459) 7.305 31.325 ( 0.837 -1.155 1.167) 1.843 31.371 ( 9.435 -7.067 1.492) 11.882 31.494 ( 6.121 -9.428 -2.605) 11.539 31.529 ( -5.073 -5.739 -1.475) 7.800 31.643 ( -5.622 -9.651 -3.627) 11.743 35.131 ( 1.987 7.045 2.373) 7.695 35.183 ( -2.187 7.141 1.419) 7.602 35.206 ( -0.630 3.178 1.080) 3.415 35.212 ( -1.959 5.846 0.484) 6.184 35.398 ( 2.182 -1.650 -0.871) 2.871 35.438 ( 0.002 -4.411 -1.229) 4.579 35.468 ( -2.042 -5.667 -1.539) 6.217 35.480 ( -2.776 -6.359 -1.283) 7.056 40.005 ( 6.599 1.067 0.965) 6.754 40.026 ( 6.930 -0.711 2.026) 7.255 40.079 ( 6.615 1.386 1.217) 6.867 40.103 ( 1.382 -1.305 2.755) 3.347 40.267 ( 6.381 -0.197 0.986) 6.460 40.282 ( 6.488 -1.455 0.314) 6.656 40.472 ( -12.838 5.310 -5.954) 15.114 40.575 ( -14.914 -4.542 -7.289) 17.211 41.591 ( 8.145 8.775 3.406) 12.448 41.622 ( 5.670 7.241 4.209) 10.114 41.723 ( 7.315 -2.234 1.750) 7.846 41.778 ( 2.445 -3.962 0.239) 4.662 41.891 ( 6.645 3.041 0.406) 7.319 41.970 ( 0.232 1.390 -2.080) 2.512 42.022 ( 1.441 -7.285 -0.679) 7.457 42.090 ( -4.931 -6.942 -2.517) 8.879 98.755 ( 23.466 2.008 0.682) 23.562 98.791 ( 22.556 1.918 -0.223) 22.639 98.802 ( 22.618 -0.952 0.517) 22.644 98.861 ( 20.627 -3.285 -1.290) 20.926 99.212 ( -20.434 2.048 0.334) 20.539 99.226 ( -20.226 1.927 -0.219) 20.318 99.255 ( -20.748 -2.069 0.301) 20.853 99.269 ( -19.132 -2.078 -0.191) 19.246 ======================= Grid point 110 (37/54) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 0.000 0.000 -16.366) 16.366 1.923 ( 0.000 0.000 16.366) 16.366 2.481 ( 0.000 0.000 -59.420) 59.420 2.481 ( 0.000 0.000 59.420) 59.420 3.322 ( 0.000 0.000 -14.926) 14.926 3.322 ( 0.000 0.000 14.926) 14.926 3.610 ( 0.000 0.000 -7.879) 7.879 3.610 ( 0.000 0.000 7.879) 7.879 3.690 ( 0.000 0.000 -30.916) 30.916 3.690 ( 0.000 0.000 30.916) 30.916 4.103 ( 0.000 0.000 -29.893) 29.893 4.103 ( 0.000 0.000 29.893) 29.893 4.786 ( 0.000 0.000 -0.352) 0.352 4.786 ( 0.000 0.000 0.352) 0.352 5.321 ( 0.000 0.000 -0.291) 0.291 5.321 ( 0.000 0.000 0.291) 0.291 5.746 ( 0.000 0.000 -14.839) 14.839 5.746 ( 0.000 0.000 14.839) 14.839 6.359 ( 0.000 0.000 -10.518) 10.518 6.359 ( 0.000 0.000 10.518) 10.518 6.773 ( 0.000 0.000 -29.669) 29.669 6.773 ( 0.000 0.000 29.669) 29.669 6.917 ( 0.000 0.000 -14.414) 14.414 6.917 ( 0.000 0.000 14.414) 14.414 7.207 ( 0.000 0.000 -26.923) 26.923 7.207 ( 0.000 0.000 26.923) 26.923 7.582 ( 0.000 0.000 -12.931) 12.931 7.582 ( 0.000 0.000 12.931) 12.931 7.844 ( 0.000 0.000 -27.004) 27.004 7.844 ( 0.000 0.000 27.004) 27.004 7.996 ( 0.000 0.000 -3.562) 3.562 7.996 ( 0.000 0.000 3.562) 3.562 8.490 ( 0.000 0.000 -11.857) 11.857 8.490 ( 0.000 0.000 11.857) 11.857 8.669 ( 0.000 0.000 -9.284) 9.284 8.669 ( 0.000 0.000 9.284) 9.284 9.141 ( 0.000 0.000 -1.675) 1.675 9.141 ( 0.000 0.000 1.675) 1.675 9.359 ( 0.000 0.000 -6.856) 6.856 9.359 ( 0.000 0.000 6.856) 6.856 9.797 ( 0.000 0.000 -1.218) 1.218 9.797 ( 0.000 0.000 1.218) 1.218 9.909 ( 0.000 0.000 -5.765) 5.765 9.909 ( 0.000 0.000 5.765) 5.765 10.540 ( 0.000 0.000 -19.045) 19.045 10.540 ( 0.000 0.000 19.045) 19.045 10.727 ( 0.000 0.000 -0.878) 0.878 10.727 ( 0.000 0.000 0.878) 0.878 11.363 ( 0.000 0.000 -6.958) 6.958 11.363 ( 0.000 0.000 6.958) 6.958 11.638 ( 0.000 0.000 -12.451) 12.451 11.638 ( 0.000 0.000 12.451) 12.451 11.842 ( 0.000 0.000 -22.636) 22.636 11.842 ( 0.000 0.000 22.636) 22.636 12.256 ( 0.000 0.000 -10.215) 10.215 12.256 ( 0.000 0.000 10.215) 10.215 12.647 ( 0.000 0.000 -9.265) 9.265 12.647 ( 0.000 0.000 9.265) 9.265 12.891 ( 0.000 0.000 -2.849) 2.849 12.891 ( 0.000 0.000 2.849) 2.849 13.228 ( 0.000 0.000 -2.770) 2.770 13.228 ( 0.000 0.000 2.770) 2.770 13.408 ( 0.000 0.000 -7.480) 7.480 13.408 ( 0.000 0.000 7.480) 7.480 14.335 ( 0.000 0.000 -10.345) 10.345 14.335 ( 0.000 0.000 10.345) 10.345 14.867 ( 0.000 0.000 -15.392) 15.392 14.867 ( 0.000 0.000 15.392) 15.392 15.523 ( 0.000 0.000 -25.588) 25.588 15.523 ( 0.000 0.000 25.588) 25.588 15.751 ( 0.000 0.000 -28.237) 28.237 15.751 ( 0.000 0.000 28.237) 28.237 16.174 ( 0.000 0.000 -21.803) 21.803 16.174 ( 0.000 0.000 21.803) 21.803 16.990 ( 0.000 0.000 -24.844) 24.844 16.990 ( 0.000 0.000 24.844) 24.844 18.330 ( 0.000 0.000 -26.047) 26.047 18.330 ( 0.000 0.000 26.047) 26.047 18.469 ( 0.000 0.000 -22.469) 22.469 18.469 ( 0.000 0.000 22.469) 22.469 18.595 ( 0.000 0.000 -21.369) 21.369 18.595 ( 0.000 0.000 21.369) 21.369 18.759 ( 0.000 0.000 -6.238) 6.238 18.759 ( 0.000 0.000 6.238) 6.238 19.220 ( 0.000 0.000 -20.446) 20.446 19.220 ( 0.000 0.000 20.446) 20.446 19.228 ( 0.000 0.000 -1.276) 1.276 19.228 ( 0.000 0.000 1.276) 1.276 19.668 ( 0.000 0.000 -8.316) 8.316 19.668 ( 0.000 0.000 8.316) 8.316 19.884 ( 0.000 0.000 -14.924) 14.924 19.884 ( 0.000 0.000 14.924) 14.924 20.177 ( 0.000 0.000 -6.159) 6.159 20.177 ( 0.000 0.000 6.159) 6.159 20.402 ( 0.000 0.000 -6.559) 6.559 20.402 ( 0.000 0.000 6.559) 6.559 21.005 ( 0.000 0.000 -9.598) 9.598 21.005 ( 0.000 0.000 9.598) 9.598 21.435 ( 0.000 0.000 -5.894) 5.894 21.435 ( 0.000 0.000 5.894) 5.894 21.659 ( 0.000 0.000 -4.843) 4.843 21.659 ( 0.000 0.000 4.843) 4.843 21.672 ( 0.000 0.000 -2.851) 2.851 21.672 ( 0.000 0.000 2.851) 2.851 22.087 ( 0.000 0.000 -4.529) 4.529 22.087 ( 0.000 0.000 4.529) 4.529 22.249 ( 0.000 0.000 -1.691) 1.691 22.249 ( 0.000 0.000 1.691) 1.691 22.421 ( 0.000 0.000 -0.065) 0.065 22.421 ( 0.000 0.000 0.065) 0.065 22.773 ( 0.000 0.000 -12.698) 12.698 22.773 ( 0.000 0.000 12.698) 12.698 22.965 ( 0.000 0.000 -5.646) 5.646 22.965 ( 0.000 0.000 5.646) 5.646 23.096 ( 0.000 0.000 -3.491) 3.491 23.096 ( 0.000 0.000 3.491) 3.491 23.221 ( 0.000 0.000 -4.550) 4.550 23.221 ( 0.000 0.000 4.550) 4.550 23.273 ( 0.000 0.000 -2.575) 2.575 23.273 ( 0.000 0.000 2.575) 2.575 23.336 ( 0.000 0.000 -5.555) 5.555 23.336 ( 0.000 0.000 5.555) 5.555 23.762 ( 0.000 0.000 -11.062) 11.062 23.762 ( 0.000 0.000 11.062) 11.062 23.915 ( 0.000 0.000 -15.526) 15.526 23.915 ( 0.000 0.000 15.526) 15.526 24.127 ( 0.000 0.000 -7.099) 7.099 24.127 ( 0.000 0.000 7.099) 7.099 24.430 ( 0.000 0.000 -6.170) 6.170 24.430 ( 0.000 0.000 6.170) 6.170 24.528 ( 0.000 0.000 -1.210) 1.210 24.528 ( 0.000 0.000 1.210) 1.210 24.623 ( 0.000 0.000 -1.260) 1.260 24.623 ( 0.000 0.000 1.260) 1.260 24.643 ( 0.000 0.000 -4.742) 4.742 24.643 ( 0.000 0.000 4.742) 4.742 24.762 ( 0.000 0.000 -1.642) 1.642 24.762 ( 0.000 0.000 1.642) 1.642 24.922 ( 0.000 0.000 -1.297) 1.297 24.922 ( 0.000 0.000 1.297) 1.297 25.283 ( 0.000 0.000 -7.945) 7.945 25.283 ( 0.000 0.000 7.945) 7.945 26.051 ( 0.000 0.000 -20.237) 20.237 26.051 ( 0.000 0.000 20.237) 20.237 27.103 ( 0.000 0.000 -2.012) 2.012 27.103 ( 0.000 0.000 2.012) 2.012 27.749 ( 0.000 0.000 -0.311) 0.311 27.749 ( 0.000 0.000 0.311) 0.311 28.998 ( 0.000 0.000 -0.048) 0.048 28.998 ( 0.000 0.000 0.048) 0.048 29.068 ( 0.000 0.000 -3.338) 3.338 29.068 ( 0.000 0.000 3.338) 3.338 29.688 ( 0.000 0.000 -7.958) 7.958 29.688 ( 0.000 0.000 7.958) 7.958 29.890 ( 0.000 0.000 -12.786) 12.786 29.890 ( 0.000 0.000 12.786) 12.786 30.706 ( 0.000 0.000 -5.575) 5.575 30.706 ( 0.000 0.000 5.575) 5.575 31.393 ( 0.000 0.000 -9.968) 9.968 31.393 ( 0.000 0.000 9.968) 9.968 35.153 ( 0.000 0.000 -3.740) 3.740 35.153 ( 0.000 0.000 3.740) 3.740 35.323 ( 0.000 0.000 -0.246) 0.246 35.323 ( 0.000 0.000 0.246) 0.246 35.667 ( 0.000 0.000 -5.151) 5.151 35.667 ( 0.000 0.000 5.151) 5.151 36.465 ( 0.000 0.000 -2.601) 2.601 36.465 ( 0.000 0.000 2.601) 2.601 39.075 ( 0.000 0.000 -6.971) 6.971 39.075 ( 0.000 0.000 6.971) 6.971 39.134 ( 0.000 0.000 -4.350) 4.350 39.134 ( 0.000 0.000 4.350) 4.350 39.696 ( 0.000 0.000 -26.043) 26.043 39.696 ( 0.000 0.000 26.043) 26.043 39.889 ( 0.000 0.000 -7.047) 7.047 39.889 ( 0.000 0.000 7.047) 7.047 40.016 ( 0.000 0.000 -6.266) 6.266 40.016 ( 0.000 0.000 6.266) 6.266 41.131 ( 0.000 0.000 -1.947) 1.947 41.131 ( 0.000 0.000 1.947) 1.947 41.638 ( 0.000 0.000 -0.568) 0.568 41.638 ( 0.000 0.000 0.568) 0.568 42.188 ( 0.000 0.000 -19.672) 19.672 42.188 ( 0.000 0.000 19.672) 19.672 96.808 ( 0.000 0.000 -0.003) 0.003 96.808 ( 0.000 0.000 0.003) 0.003 96.818 ( 0.000 0.000 -0.076) 0.076 96.818 ( 0.000 0.000 0.076) 0.076 100.315 ( 0.000 0.000 -1.389) 1.389 100.315 ( 0.000 0.000 1.389) 1.389 100.731 ( 0.000 0.000 -0.905) 0.905 100.731 ( 0.000 0.000 0.905) 0.905 ======================= Grid point 112 (38/54) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 27.110 0.000 -3.667) 27.357 2.149 ( 27.110 0.000 3.667) 27.357 3.047 ( 31.978 0.000 -15.633) 35.595 3.047 ( 31.978 0.000 15.633) 35.595 3.409 ( 5.727 0.000 -9.482) 11.077 3.409 ( 5.727 0.000 9.482) 11.077 3.799 ( 37.080 0.000 -20.378) 42.311 3.799 ( 37.080 0.000 20.378) 42.311 3.986 ( 15.977 0.000 -0.773) 15.996 3.986 ( 15.977 0.000 0.773) 15.996 4.620 ( 42.714 0.000 -33.534) 54.305 4.620 ( 42.714 0.000 33.534) 54.305 4.800 ( 5.218 0.000 -0.919) 5.298 4.800 ( 5.218 0.000 0.919) 5.298 5.415 ( 9.535 0.000 -5.994) 11.262 5.415 ( 9.535 0.000 5.994) 11.262 5.787 ( 4.748 0.000 -12.758) 13.613 5.787 ( 4.748 0.000 12.758) 13.613 6.333 ( -1.891 0.000 -2.671) 3.273 6.333 ( -1.891 0.000 2.671) 3.273 6.749 ( -9.259 0.000 -20.979) 22.932 6.749 ( -9.259 0.000 20.979) 22.932 6.851 ( 7.187 0.000 -14.056) 15.787 6.851 ( 7.187 0.000 14.056) 15.787 7.411 ( 9.929 0.000 -9.478) 13.726 7.411 ( 9.929 0.000 9.478) 13.726 7.600 ( 8.714 0.000 -13.413) 15.995 7.600 ( 8.714 0.000 13.413) 15.995 8.006 ( 11.633 0.000 -15.117) 19.074 8.006 ( 11.633 0.000 15.117) 19.074 8.079 ( 8.953 0.000 -9.883) 13.335 8.079 ( 8.953 0.000 9.883) 13.335 8.490 ( -0.147 0.000 -8.415) 8.417 8.490 ( -0.147 0.000 8.415) 8.417 8.697 ( 2.050 0.000 -10.347) 10.548 8.697 ( 2.050 0.000 10.347) 10.548 9.117 ( -1.204 0.000 -2.636) 2.897 9.117 ( -1.204 0.000 2.636) 2.897 9.415 ( 4.396 0.000 -11.303) 12.128 9.415 ( 4.396 0.000 11.303) 12.128 9.641 ( -8.509 0.000 -0.712) 8.539 9.641 ( -8.509 0.000 0.712) 8.539 10.060 ( 6.673 0.000 -9.983) 12.008 10.060 ( 6.673 0.000 9.983) 12.008 10.532 ( 1.733 0.000 -18.911) 18.991 10.532 ( 1.733 0.000 18.911) 18.991 10.768 ( 3.722 0.000 -2.120) 4.283 10.768 ( 3.722 0.000 2.120) 4.283 11.343 ( -1.832 0.000 -5.458) 5.757 11.343 ( -1.832 0.000 5.458) 5.757 11.700 ( 4.962 0.000 -3.362) 5.993 11.700 ( 4.962 0.000 3.362) 5.993 11.793 ( -2.923 0.000 -10.781) 11.170 11.793 ( -2.923 0.000 10.781) 11.170 12.323 ( 4.748 0.000 -7.254) 8.670 12.323 ( 4.748 0.000 7.254) 8.670 12.594 ( -3.397 0.000 -8.605) 9.251 12.594 ( -3.397 0.000 8.605) 9.251 12.924 ( 1.738 0.000 -0.391) 1.781 12.924 ( 1.738 0.000 0.391) 1.781 13.180 ( -5.792 0.000 -7.395) 9.394 13.180 ( -5.792 0.000 7.395) 9.394 13.307 ( -8.434 0.000 -6.780) 10.821 13.307 ( -8.434 0.000 6.780) 10.821 14.194 ( -13.372 0.000 -10.117) 16.768 14.194 ( -13.372 0.000 10.117) 16.768 14.586 ( -18.136 0.000 -1.711) 18.217 14.586 ( -18.136 0.000 1.711) 18.217 15.712 ( 8.661 0.000 -1.044) 8.724 15.712 ( 8.661 0.000 1.044) 8.724 15.845 ( 5.106 0.000 -13.747) 14.665 15.845 ( 5.106 0.000 13.747) 14.665 15.965 ( -17.124 0.000 -14.136) 22.204 15.965 ( -17.124 0.000 14.136) 22.204 16.696 ( -21.360 0.000 -18.399) 28.192 16.696 ( -21.360 0.000 18.399) 28.192 18.003 ( -27.921 0.000 -8.835) 29.286 18.003 ( -27.921 0.000 8.835) 29.286 18.135 ( -25.178 0.000 -12.559) 28.137 18.135 ( -25.178 0.000 12.559) 28.137 18.704 ( 13.740 0.000 -6.623) 15.253 18.704 ( 13.740 0.000 6.623) 15.253 19.066 ( 12.363 0.000 -3.673) 12.897 19.066 ( 12.363 0.000 3.673) 12.897 19.207 ( 0.586 0.000 -15.144) 15.156 19.207 ( 0.586 0.000 15.144) 15.156 19.298 ( 6.306 0.000 -5.626) 8.451 19.298 ( 6.306 0.000 5.626) 8.451 19.705 ( 3.432 0.000 -8.554) 9.216 19.705 ( 3.432 0.000 8.554) 9.216 19.890 ( 0.334 0.000 -12.608) 12.613 19.890 ( 0.334 0.000 12.608) 12.613 20.168 ( -1.140 0.000 -5.942) 6.050 20.168 ( -1.140 0.000 5.942) 6.050 20.447 ( 4.250 0.000 -7.297) 8.445 20.447 ( 4.250 0.000 7.297) 8.445 21.018 ( 1.059 0.000 -8.010) 8.080 21.018 ( 1.059 0.000 8.010) 8.080 21.289 ( -9.417 0.000 -1.696) 9.569 21.289 ( -9.417 0.000 1.696) 9.569 21.538 ( -9.186 0.000 -7.802) 12.053 21.538 ( -9.186 0.000 7.802) 12.053 21.792 ( 7.364 0.000 -1.725) 7.563 21.792 ( 7.364 0.000 1.725) 7.563 21.942 ( -5.553 0.000 -3.790) 6.723 21.942 ( -5.553 0.000 3.790) 6.723 22.276 ( 0.148 0.000 -3.475) 3.478 22.276 ( 0.148 0.000 3.475) 3.478 22.396 ( -7.088 0.000 -6.687) 9.744 22.396 ( -7.088 0.000 6.687) 9.744 22.676 ( -7.851 0.000 -1.020) 7.917 22.676 ( -7.851 0.000 1.020) 7.917 22.878 ( -15.017 0.000 -6.696) 16.442 22.878 ( -15.017 0.000 6.696) 16.442 23.102 ( 8.923 0.000 -4.854) 10.158 23.102 ( 8.923 0.000 4.854) 10.158 23.224 ( -2.721 0.000 -5.073) 5.757 23.224 ( -2.721 0.000 5.073) 5.757 23.325 ( 1.722 0.000 -5.563) 5.824 23.325 ( 1.722 0.000 5.563) 5.824 23.472 ( 8.949 0.000 -5.138) 10.318 23.472 ( 8.949 0.000 5.138) 10.318 23.662 ( 0.505 0.000 -2.942) 2.985 23.662 ( 0.505 0.000 2.942) 2.985 24.028 ( -3.048 0.000 -1.993) 3.642 24.028 ( -3.048 0.000 1.993) 3.642 24.091 ( 5.136 0.000 -2.292) 5.624 24.091 ( 5.136 0.000 2.292) 5.624 24.220 ( -16.827 0.000 -2.974) 17.088 24.220 ( -16.827 0.000 2.974) 17.088 24.543 ( 5.371 0.000 -1.922) 5.704 24.543 ( 5.371 0.000 1.922) 5.704 24.569 ( -7.853 0.000 -0.521) 7.871 24.569 ( -7.853 0.000 0.521) 7.871 24.807 ( 6.719 0.000 -1.129) 6.813 24.807 ( 6.719 0.000 1.129) 6.813 24.840 ( 13.192 0.000 -1.129) 13.240 24.840 ( 13.192 0.000 1.129) 13.240 25.081 ( 13.008 0.000 -0.706) 13.027 25.081 ( 13.008 0.000 0.706) 13.027 25.440 ( 10.876 0.000 -1.364) 10.961 25.440 ( 10.876 0.000 1.364) 10.961 25.985 ( -5.639 0.000 -17.268) 18.165 25.985 ( -5.639 0.000 17.268) 18.165 27.002 ( -6.631 0.000 -2.693) 7.157 27.002 ( -6.631 0.000 2.693) 7.157 27.673 ( -8.013 0.000 -0.581) 8.034 27.673 ( -8.013 0.000 0.581) 8.034 28.885 ( -11.219 0.000 -1.819) 11.365 28.885 ( -11.219 0.000 1.819) 11.365 28.939 ( -11.337 0.000 -0.108) 11.337 28.939 ( -11.337 0.000 0.108) 11.337 29.778 ( 8.717 0.000 -8.473) 12.157 29.778 ( 8.717 0.000 8.473) 12.157 30.103 ( 18.830 0.000 -11.492) 22.060 30.103 ( 18.830 0.000 11.492) 22.060 30.801 ( 8.516 0.000 -3.664) 9.271 30.801 ( 8.516 0.000 3.664) 9.271 31.439 ( 4.123 0.000 -11.446) 12.166 31.439 ( 4.123 0.000 11.446) 12.166 35.125 ( -2.320 0.000 -3.764) 4.421 35.125 ( -2.320 0.000 3.764) 4.421 35.291 ( -2.980 0.000 -0.203) 2.987 35.291 ( -2.980 0.000 0.203) 2.987 35.625 ( -3.557 0.000 -5.259) 6.348 35.625 ( -3.557 0.000 5.259) 6.348 36.296 ( -12.771 0.000 -0.324) 12.776 36.296 ( -12.771 0.000 0.324) 12.776 39.133 ( 6.776 0.000 -5.743) 8.883 39.133 ( 6.776 0.000 5.743) 8.883 39.279 ( 9.120 0.000 -6.247) 11.054 39.279 ( 9.120 0.000 6.247) 11.054 39.818 ( 12.776 0.000 -20.639) 24.274 39.818 ( 12.776 0.000 20.639) 24.274 40.004 ( 10.511 0.000 -5.088) 11.678 40.004 ( 10.511 0.000 5.088) 11.678 40.135 ( 10.963 0.000 -7.112) 13.067 40.135 ( 10.963 0.000 7.112) 13.067 41.195 ( 3.758 0.000 -0.583) 3.803 41.195 ( 3.758 0.000 0.583) 3.803 41.794 ( 12.706 0.000 -10.054) 16.203 41.794 ( 12.706 0.000 10.054) 16.203 42.122 ( -5.842 0.000 -18.017) 18.940 42.122 ( -5.842 0.000 18.017) 18.940 96.938 ( 11.427 0.000 -0.151) 11.428 96.938 ( 11.427 0.000 0.151) 11.428 97.056 ( 20.638 0.000 -6.300) 21.578 97.056 ( 20.638 0.000 6.300) 21.578 100.266 ( -4.770 0.000 -1.312) 4.947 100.266 ( -4.770 0.000 1.312) 4.947 100.604 ( -10.950 0.000 -3.670) 11.549 100.604 ( -10.950 0.000 3.670) 11.549 ======================= Grid point 114 (39/54) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( 39.302 0.000 -0.991) 39.315 2.882 ( 39.302 0.000 0.991) 39.315 3.457 ( 15.544 0.000 -0.344) 15.547 3.457 ( 15.544 0.000 0.344) 15.547 3.710 ( 18.330 0.000 -1.044) 18.360 3.710 ( 18.330 0.000 1.044) 18.360 4.237 ( 9.928 0.000 -4.182) 10.773 4.237 ( 9.928 0.000 4.182) 10.773 4.710 ( 31.435 0.000 -2.019) 31.500 4.710 ( 31.435 0.000 2.019) 31.500 4.976 ( 19.743 0.000 -0.399) 19.747 4.976 ( 19.743 0.000 0.399) 19.747 5.489 ( 26.114 0.000 -18.803) 32.179 5.489 ( 26.114 0.000 18.803) 32.179 5.698 ( 16.082 0.000 -22.120) 27.348 5.698 ( 16.082 0.000 22.120) 27.348 6.145 ( 30.488 0.000 -6.729) 31.222 6.145 ( 30.488 0.000 6.729) 31.222 6.314 ( 5.079 0.000 -1.587) 5.322 6.314 ( 5.079 0.000 1.587) 5.322 6.658 ( 1.675 0.000 -16.685) 16.768 6.658 ( 1.675 0.000 16.685) 16.768 7.132 ( 22.417 0.000 -1.606) 22.475 7.132 ( 22.417 0.000 1.606) 22.475 7.545 ( 9.405 0.000 -7.184) 11.835 7.545 ( 9.405 0.000 7.184) 11.835 7.986 ( 22.261 0.000 -0.995) 22.283 7.986 ( 22.261 0.000 0.995) 22.283 8.184 ( 5.886 0.000 -0.184) 5.889 8.184 ( 5.886 0.000 0.184) 5.889 8.372 ( 13.757 0.000 -1.158) 13.806 8.372 ( 13.757 0.000 1.158) 13.806 8.531 ( 10.465 0.000 -8.570) 13.526 8.531 ( 10.465 0.000 8.570) 13.526 8.724 ( -0.301 0.000 -8.751) 8.756 8.724 ( -0.301 0.000 8.751) 8.756 9.174 ( 9.410 0.000 -4.167) 10.291 9.174 ( 9.410 0.000 4.167) 10.291 9.406 ( -5.839 0.000 -14.077) 15.240 9.406 ( -5.839 0.000 14.077) 15.240 9.591 ( 4.083 0.000 -4.333) 5.954 9.591 ( 4.083 0.000 4.333) 5.954 10.134 ( 2.455 0.000 -13.761) 13.978 10.134 ( 2.455 0.000 13.761) 13.978 10.601 ( 2.510 0.000 -10.568) 10.862 10.601 ( 2.510 0.000 10.568) 10.862 10.926 ( 12.177 0.000 -3.785) 12.752 10.926 ( 12.177 0.000 3.785) 12.752 11.302 ( -1.775 0.000 -0.776) 1.937 11.302 ( -1.775 0.000 0.776) 1.937 11.670 ( -4.700 0.000 -9.373) 10.486 11.670 ( -4.700 0.000 9.373) 10.486 11.895 ( 8.850 0.000 -3.962) 9.696 11.895 ( 8.850 0.000 3.962) 9.696 12.352 ( -2.867 0.000 -6.575) 7.173 12.352 ( -2.867 0.000 6.575) 7.173 12.595 ( 3.849 0.000 -8.381) 9.223 12.595 ( 3.849 0.000 8.381) 9.223 12.905 ( -10.603 0.000 -4.488) 11.514 12.905 ( -10.603 0.000 4.488) 11.514 12.930 ( -10.852 0.000 -9.198) 14.226 12.930 ( -10.852 0.000 9.198) 14.226 13.139 ( -8.212 0.000 -9.030) 12.205 13.139 ( -8.212 0.000 9.030) 12.205 13.904 ( -10.975 0.000 -10.554) 15.227 13.904 ( -10.975 0.000 10.554) 15.227 14.260 ( -14.222 0.000 -8.244) 16.438 14.260 ( -14.222 0.000 8.244) 16.438 15.371 ( -30.288 0.000 -7.697) 31.251 15.371 ( -30.288 0.000 7.697) 31.251 15.514 ( -32.060 0.000 -24.148) 40.137 15.514 ( -32.060 0.000 24.148) 40.137 16.070 ( 13.859 0.000 -3.013) 14.183 16.070 ( 13.859 0.000 3.013) 14.183 16.518 ( 3.469 0.000 -6.614) 7.468 16.518 ( 3.469 0.000 6.614) 7.468 17.367 ( -30.675 0.000 -14.324) 33.855 17.367 ( -30.675 0.000 14.324) 33.855 17.534 ( -33.220 0.000 -5.053) 33.602 17.534 ( -33.220 0.000 5.053) 33.602 18.950 ( 8.796 0.000 -5.945) 10.616 18.950 ( 8.796 0.000 5.945) 10.616 19.207 ( 2.834 0.000 -2.992) 4.121 19.207 ( 2.834 0.000 2.992) 4.121 19.240 ( 0.916 0.000 -8.104) 8.156 19.240 ( 0.916 0.000 8.104) 8.156 19.433 ( 5.050 0.000 -7.399) 8.958 19.433 ( 5.050 0.000 7.399) 8.958 19.775 ( 0.729 0.000 -3.693) 3.764 19.775 ( 0.729 0.000 3.693) 3.764 19.898 ( 2.042 0.000 -2.484) 3.215 19.898 ( 2.042 0.000 2.484) 3.215 20.127 ( -2.723 0.000 -4.752) 5.477 20.127 ( -2.723 0.000 4.752) 5.477 20.546 ( 4.570 0.000 -7.984) 9.199 20.546 ( 4.570 0.000 7.984) 9.199 20.988 ( -5.033 0.000 -0.476) 5.056 20.988 ( -5.033 0.000 0.476) 5.056 21.143 ( -5.610 0.000 -2.432) 6.115 21.143 ( -5.610 0.000 2.432) 6.115 21.364 ( -5.312 0.000 -0.862) 5.382 21.364 ( -5.312 0.000 0.862) 5.382 21.793 ( -10.163 0.000 -6.199) 11.904 21.793 ( -10.163 0.000 6.199) 11.904 22.028 ( 10.988 0.000 -0.567) 11.003 22.028 ( 10.988 0.000 0.567) 11.003 22.126 ( -11.595 0.000 -2.212) 11.804 22.126 ( -11.595 0.000 2.212) 11.804 22.295 ( 1.325 0.000 -1.254) 1.825 22.295 ( 1.325 0.000 1.254) 1.825 22.536 ( -3.670 0.000 -1.598) 4.003 22.536 ( -3.670 0.000 1.598) 4.003 22.599 ( -9.791 0.000 -8.359) 12.874 22.599 ( -9.791 0.000 8.359) 12.874 23.149 ( -3.359 0.000 -5.316) 6.289 23.149 ( -3.359 0.000 5.316) 6.289 23.183 ( -0.781 0.000 -1.477) 1.671 23.183 ( -0.781 0.000 1.477) 1.671 23.320 ( -2.190 0.000 -5.625) 6.036 23.320 ( -2.190 0.000 5.625) 6.036 23.599 ( -8.701 0.000 -8.657) 12.274 23.599 ( -8.701 0.000 8.657) 12.274 23.690 ( 7.052 0.000 -9.799) 12.073 23.690 ( 7.052 0.000 9.799) 12.073 23.913 ( -8.997 0.000 -0.559) 9.014 23.913 ( -8.997 0.000 0.559) 9.014 23.971 ( -1.094 0.000 -2.161) 2.422 23.971 ( -1.094 0.000 2.161) 2.422 24.150 ( -3.923 0.000 -4.155) 5.714 24.150 ( -3.923 0.000 4.155) 5.714 24.485 ( 3.052 0.000 -1.256) 3.301 24.485 ( 3.052 0.000 1.256) 3.301 24.707 ( 10.521 0.000 -2.428) 10.797 24.707 ( 10.521 0.000 2.428) 10.797 24.901 ( 4.227 0.000 -0.709) 4.286 24.901 ( 4.227 0.000 0.709) 4.286 25.128 ( 11.187 0.000 -1.342) 11.267 25.128 ( 11.187 0.000 1.342) 11.267 25.356 ( 11.946 0.000 -1.779) 12.077 25.356 ( 11.946 0.000 1.779) 12.077 25.608 ( 5.233 0.000 -1.226) 5.375 25.608 ( 5.233 0.000 1.226) 5.375 25.889 ( -1.478 0.000 -9.875) 9.985 25.889 ( -1.478 0.000 9.875) 9.985 26.923 ( -0.975 0.000 -3.874) 3.995 26.923 ( -0.975 0.000 3.874) 3.995 27.440 ( -13.391 0.000 -0.345) 13.396 27.440 ( -13.391 0.000 0.345) 13.396 28.565 ( -19.022 0.000 -0.363) 19.025 28.565 ( -19.022 0.000 0.363) 19.025 28.636 ( -18.042 0.000 -0.371) 18.046 28.636 ( -18.042 0.000 0.371) 18.046 30.014 ( 13.630 0.000 -8.491) 16.058 30.014 ( 13.630 0.000 8.491) 16.058 30.574 ( 25.019 0.000 -8.616) 26.461 30.574 ( 25.019 0.000 8.616) 26.461 31.006 ( 10.071 0.000 -0.610) 10.089 31.006 ( 10.071 0.000 0.610) 10.089 31.551 ( 6.664 0.000 -12.531) 14.193 31.551 ( 6.664 0.000 12.531) 14.193 35.075 ( -2.230 0.000 -2.560) 3.395 35.075 ( -2.230 0.000 2.560) 3.395 35.210 ( -4.688 0.000 -0.113) 4.689 35.210 ( -4.688 0.000 0.113) 4.689 35.547 ( -3.595 0.000 -5.336) 6.434 35.547 ( -3.595 0.000 5.336) 6.434 36.045 ( -10.906 0.000 -1.477) 11.005 36.045 ( -10.906 0.000 1.477) 11.005 39.321 ( 10.909 0.000 -5.082) 12.034 39.321 ( 10.909 0.000 5.082) 12.034 39.447 ( 7.830 0.000 -8.449) 11.519 39.447 ( 7.830 0.000 8.449) 11.519 40.169 ( 16.566 0.000 -1.820) 16.666 40.169 ( 16.566 0.000 1.820) 16.666 40.299 ( 19.097 0.000 -7.571) 20.543 40.299 ( 19.097 0.000 7.571) 20.543 40.413 ( 14.714 0.000 -8.859) 17.175 40.413 ( 14.714 0.000 8.859) 17.175 41.276 ( 5.572 0.000 -6.863) 8.840 41.276 ( 5.572 0.000 6.863) 8.840 41.888 ( -7.949 0.000 -12.817) 15.082 41.888 ( -7.949 0.000 12.817) 15.082 42.113 ( 8.375 0.000 -15.982) 18.043 42.113 ( 8.375 0.000 15.982) 18.043 97.264 ( 19.666 0.000 -0.347) 19.669 97.264 ( 19.666 0.000 0.347) 19.669 97.525 ( 23.439 0.000 -9.698) 25.366 97.525 ( 23.439 0.000 9.698) 25.366 100.120 ( -9.328 0.000 -1.114) 9.394 100.120 ( -9.328 0.000 1.114) 9.394 100.339 ( -14.089 0.000 -5.122) 14.992 100.339 ( -14.089 0.000 5.122) 14.992 ======================= Grid point 116 (40/54) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.615 ( 29.094 0.000 -10.783) 31.028 3.615 ( 29.094 0.000 10.783) 31.028 3.831 ( 21.281 0.000 -6.405) 22.224 3.831 ( 21.281 0.000 6.405) 22.224 4.009 ( 10.760 0.000 -4.360) 11.610 4.009 ( 10.760 0.000 4.360) 11.610 4.464 ( 13.186 0.000 -8.211) 15.533 4.464 ( 13.186 0.000 8.211) 15.533 5.022 ( 5.025 0.000 -5.152) 7.197 5.022 ( 5.025 0.000 5.152) 7.197 5.349 ( 15.519 0.000 -5.908) 16.605 5.349 ( 15.519 0.000 5.908) 16.605 5.781 ( 7.861 0.000 -2.588) 8.276 5.781 ( 7.861 0.000 2.588) 8.276 6.020 ( 7.078 0.000 -14.902) 16.498 6.020 ( 7.078 0.000 14.902) 16.498 6.432 ( 12.497 0.000 -4.261) 13.204 6.432 ( 12.497 0.000 4.261) 13.204 6.752 ( 10.290 0.000 -9.307) 13.874 6.752 ( 10.290 0.000 9.307) 13.874 6.893 ( 30.161 0.000 -3.792) 30.398 6.893 ( 30.161 0.000 3.792) 30.398 7.520 ( 8.203 0.000 -4.403) 9.310 7.520 ( 8.203 0.000 4.403) 9.310 8.002 ( 30.439 0.000 -5.617) 30.953 8.002 ( 30.439 0.000 5.617) 30.953 8.199 ( 4.805 0.000 -1.661) 5.084 8.199 ( 4.805 0.000 1.661) 5.084 8.427 ( 10.876 0.000 -3.133) 11.319 8.427 ( 10.876 0.000 3.133) 11.319 8.557 ( 7.171 0.000 -2.864) 7.722 8.557 ( 7.171 0.000 2.864) 7.722 8.692 ( 0.230 0.000 -6.167) 6.172 8.692 ( 0.230 0.000 6.167) 6.172 9.026 ( 27.624 0.000 -7.194) 28.545 9.026 ( 27.624 0.000 7.194) 28.545 9.349 ( 3.370 0.000 -12.834) 13.269 9.349 ( 3.370 0.000 12.834) 13.269 9.556 ( 24.139 0.000 -6.524) 25.005 9.556 ( 24.139 0.000 6.524) 25.005 9.756 ( 18.232 0.000 -10.881) 21.232 9.756 ( 18.232 0.000 10.881) 21.232 10.163 ( -1.245 0.000 -3.156) 3.392 10.163 ( -1.245 0.000 3.156) 3.392 10.680 ( 7.450 0.000 -13.212) 15.168 10.680 ( 7.450 0.000 13.212) 15.168 11.139 ( 3.564 0.000 -3.791) 5.203 11.139 ( 3.564 0.000 3.791) 5.203 11.280 ( -0.147 0.000 -6.545) 6.546 11.280 ( -0.147 0.000 6.545) 6.546 11.602 ( 0.172 0.000 -1.684) 1.693 11.602 ( 0.172 0.000 1.684) 1.693 11.993 ( -2.365 0.000 -1.655) 2.887 11.993 ( -2.365 0.000 1.655) 2.887 12.264 ( -7.457 0.000 -1.732) 7.656 12.264 ( -7.457 0.000 1.732) 7.656 12.527 ( -13.317 0.000 -3.142) 13.683 12.527 ( -13.317 0.000 3.142) 13.683 12.662 ( -0.529 0.000 -2.621) 2.674 12.662 ( -0.529 0.000 2.621) 2.674 12.822 ( -3.175 0.000 -2.427) 3.996 12.822 ( -3.175 0.000 2.427) 3.996 13.030 ( -0.542 0.000 -17.927) 17.935 13.030 ( -0.542 0.000 17.927) 17.935 13.756 ( -5.602 0.000 -16.352) 17.285 13.756 ( -5.602 0.000 16.352) 17.285 13.987 ( -12.077 0.000 -1.322) 12.150 13.987 ( -12.077 0.000 1.322) 12.150 14.779 ( -30.019 0.000 -17.043) 34.520 14.779 ( -30.019 0.000 17.043) 34.520 14.869 ( -18.209 0.000 -6.251) 19.252 14.869 ( -18.209 0.000 6.251) 19.252 16.244 ( -11.377 0.000 -18.891) 22.053 16.244 ( -11.377 0.000 18.891) 22.053 16.494 ( -2.777 0.000 -18.764) 18.968 16.494 ( -2.777 0.000 18.764) 18.968 16.788 ( -29.787 0.000 -2.655) 29.905 16.788 ( -29.787 0.000 2.655) 29.905 17.009 ( -4.888 0.000 -18.224) 18.868 17.009 ( -4.888 0.000 18.224) 18.868 19.004 ( -5.290 0.000 -2.083) 5.685 19.004 ( -5.290 0.000 2.083) 5.685 19.137 ( -7.639 0.000 -4.131) 8.684 19.137 ( -7.639 0.000 4.131) 8.684 19.286 ( -2.159 0.000 -0.098) 2.161 19.286 ( -2.159 0.000 0.098) 2.161 19.402 ( -6.368 0.000 -2.237) 6.749 19.402 ( -6.368 0.000 2.237) 6.749 19.745 ( 1.480 0.000 -1.682) 2.240 19.745 ( 1.480 0.000 1.682) 2.240 19.991 ( 4.014 0.000 -3.868) 5.574 19.991 ( 4.014 0.000 3.868) 5.574 20.066 ( -2.205 0.000 -3.577) 4.202 20.066 ( -2.205 0.000 3.577) 4.202 20.609 ( 0.063 0.000 -7.140) 7.141 20.609 ( 0.063 0.000 7.140) 7.141 20.886 ( -2.683 0.000 -2.628) 3.756 20.886 ( -2.683 0.000 2.628) 3.756 21.047 ( -3.240 0.000 -2.821) 4.296 21.047 ( -3.240 0.000 2.821) 4.296 21.221 ( -9.823 0.000 -1.550) 9.945 21.221 ( -9.823 0.000 1.550) 9.945 21.492 ( -12.757 0.000 -7.439) 14.768 21.492 ( -12.757 0.000 7.439) 14.768 22.081 ( 3.725 0.000 -3.042) 4.810 22.081 ( 3.725 0.000 3.042) 4.810 22.155 ( -0.241 0.000 -1.794) 1.810 22.155 ( -0.241 0.000 1.794) 1.810 22.309 ( -2.537 0.000 -3.219) 4.099 22.309 ( -2.537 0.000 3.219) 4.099 22.530 ( 5.806 0.000 -1.561) 6.012 22.530 ( 5.806 0.000 1.561) 6.012 22.650 ( 13.288 0.000 -5.525) 14.391 22.650 ( 13.288 0.000 5.525) 14.391 23.030 ( -6.313 0.000 -0.299) 6.320 23.030 ( -6.313 0.000 0.299) 6.320 23.197 ( -4.277 0.000 -2.559) 4.984 23.197 ( -4.277 0.000 2.559) 4.984 23.234 ( -4.738 0.000 -2.011) 5.147 23.234 ( -4.738 0.000 2.011) 5.147 23.328 ( -9.301 0.000 -7.752) 12.108 23.328 ( -9.301 0.000 7.752) 12.108 23.746 ( -5.671 0.000 -1.688) 5.916 23.746 ( -5.671 0.000 1.688) 5.916 23.785 ( 1.850 0.000 -14.287) 14.406 23.785 ( 1.850 0.000 14.287) 14.406 23.930 ( -4.776 0.000 -8.614) 9.850 23.930 ( -4.776 0.000 8.614) 9.850 24.105 ( 1.061 0.000 -4.779) 4.896 24.105 ( 1.061 0.000 4.779) 4.896 24.624 ( 8.500 0.000 -2.246) 8.791 24.624 ( 8.500 0.000 2.246) 8.791 24.910 ( 8.133 0.000 -4.258) 9.180 24.910 ( 8.133 0.000 4.258) 9.180 25.009 ( 5.928 0.000 -0.265) 5.934 25.009 ( 5.928 0.000 0.265) 5.934 25.240 ( 0.605 0.000 -4.515) 4.555 25.240 ( 0.605 0.000 4.515) 4.555 25.565 ( 8.139 0.000 -1.522) 8.280 25.565 ( 8.139 0.000 1.522) 8.280 25.706 ( 6.163 0.000 -0.577) 6.190 25.706 ( 6.163 0.000 0.577) 6.190 25.942 ( 4.575 0.000 -3.279) 5.629 25.942 ( 4.575 0.000 3.279) 5.629 26.921 ( -0.162 0.000 -0.065) 0.175 26.921 ( -0.162 0.000 0.065) 0.175 27.181 ( -10.707 0.000 -2.031) 10.898 27.181 ( -10.707 0.000 2.031) 10.898 28.127 ( -23.244 0.000 -1.313) 23.281 28.127 ( -23.244 0.000 1.313) 23.281 28.210 ( -22.947 0.000 -1.470) 22.994 28.210 ( -22.947 0.000 1.470) 22.994 30.320 ( 15.779 0.000 -5.995) 16.879 30.320 ( 15.779 0.000 5.995) 16.879 31.057 ( 19.630 0.000 -4.659) 20.176 31.057 ( 19.630 0.000 4.659) 20.176 31.179 ( 7.662 0.000 -0.074) 7.663 31.179 ( 7.662 0.000 0.074) 7.663 31.701 ( 7.348 0.000 -8.586) 11.301 31.701 ( 7.348 0.000 8.586) 11.301 35.036 ( -1.754 0.000 -0.602) 1.855 35.036 ( -1.754 0.000 0.602) 1.855 35.112 ( -4.535 0.000 -0.165) 4.538 35.112 ( -4.535 0.000 0.165) 4.538 35.493 ( -1.435 0.000 -4.878) 5.085 35.493 ( -1.435 0.000 4.878) 5.085 35.854 ( -7.830 0.000 -2.856) 8.335 35.854 ( -7.830 0.000 2.856) 8.335 39.560 ( 11.783 0.000 -4.646) 12.666 39.560 ( 11.783 0.000 4.646) 12.666 39.630 ( 10.641 0.000 -5.138) 11.817 39.630 ( 10.641 0.000 5.138) 11.817 40.367 ( 3.348 0.000 -13.148) 13.567 40.367 ( 3.348 0.000 13.148) 13.567 40.661 ( 8.697 0.000 -8.714) 12.311 40.661 ( 8.697 0.000 8.714) 12.311 40.770 ( 22.766 0.000 -8.906) 24.446 40.770 ( 22.766 0.000 8.906) 24.446 41.465 ( 12.549 0.000 -9.187) 15.552 41.465 ( 12.549 0.000 9.187) 15.552 41.707 ( -6.878 0.000 -3.933) 7.923 41.707 ( -6.878 0.000 3.933) 7.923 42.255 ( 4.467 0.000 -11.483) 12.321 42.255 ( 4.467 0.000 11.483) 12.321 97.716 ( 23.811 0.000 -0.351) 23.814 97.716 ( 23.811 0.000 0.351) 23.814 97.997 ( 22.559 0.000 -7.565) 23.794 97.997 ( 22.559 0.000 7.565) 23.794 99.885 ( -13.552 0.000 -0.869) 13.580 99.885 ( -13.552 0.000 0.869) 13.580 100.035 ( -15.618 0.000 -3.700) 16.050 100.035 ( -15.618 0.000 3.700) 16.050 ======================= Grid point 118 (41/54) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.016 ( 12.510 0.000 -5.704) 13.750 4.016 ( 12.510 0.000 5.704) 13.750 4.232 ( 11.983 0.000 -5.387) 13.138 4.232 ( 11.983 0.000 5.387) 13.138 4.295 ( 20.186 0.000 -5.679) 20.970 4.295 ( 20.186 0.000 5.679) 20.970 4.649 ( 1.123 0.000 -3.243) 3.432 4.649 ( 1.123 0.000 3.243) 3.432 5.130 ( 10.036 0.000 -12.095) 15.717 5.130 ( 10.036 0.000 12.095) 15.717 5.604 ( 7.102 0.000 -10.243) 12.465 5.604 ( 7.102 0.000 10.243) 12.465 5.873 ( 2.166 0.000 -2.868) 3.594 5.873 ( 2.166 0.000 2.868) 3.594 6.184 ( 11.965 0.000 -1.658) 12.079 6.184 ( 11.965 0.000 1.658) 12.079 6.499 ( -4.253 0.000 -0.066) 4.254 6.499 ( -4.253 0.000 0.066) 4.254 6.905 ( 1.027 0.000 -13.022) 13.062 6.905 ( 1.027 0.000 13.022) 13.062 7.397 ( 12.655 0.000 -2.891) 12.981 7.397 ( 12.655 0.000 2.891) 12.981 7.825 ( 30.740 0.000 -7.240) 31.581 7.825 ( 30.740 0.000 7.240) 31.581 8.325 ( -0.340 0.000 -4.958) 4.970 8.325 ( -0.340 0.000 4.958) 4.970 8.407 ( -0.019 0.000 -4.340) 4.340 8.407 ( -0.019 0.000 4.340) 4.340 8.485 ( 12.400 0.000 -2.535) 12.656 8.485 ( 12.400 0.000 2.535) 12.656 8.687 ( 8.417 0.000 -0.020) 8.417 8.687 ( 8.417 0.000 0.020) 8.417 8.851 ( 10.471 0.000 -3.114) 10.924 8.851 ( 10.471 0.000 3.114) 10.924 9.321 ( 8.272 0.000 -1.032) 8.336 9.321 ( 8.272 0.000 1.032) 8.336 9.484 ( 5.115 0.000 -9.218) 10.542 9.484 ( 5.115 0.000 9.218) 10.542 9.926 ( -3.991 0.000 -10.498) 11.231 9.926 ( -3.991 0.000 10.498) 11.231 10.245 ( 24.470 0.000 -2.349) 24.583 10.245 ( 24.470 0.000 2.349) 24.583 10.342 ( 23.555 0.000 -12.527) 26.679 10.342 ( 23.555 0.000 12.527) 26.679 10.793 ( -2.686 0.000 -9.406) 9.782 10.793 ( -2.686 0.000 9.406) 9.782 11.111 ( 0.103 0.000 -2.464) 2.466 11.111 ( 0.103 0.000 2.464) 2.466 11.311 ( 5.907 0.000 -1.238) 6.036 11.311 ( 5.907 0.000 1.238) 6.035 11.544 ( -14.288 0.000 -2.092) 14.440 11.544 ( -14.288 0.000 2.092) 14.440 11.876 ( -21.456 0.000 -5.143) 22.064 11.876 ( -21.456 0.000 5.143) 22.064 11.994 ( 5.980 0.000 -4.587) 7.536 11.994 ( 5.980 0.000 4.587) 7.536 12.431 ( 0.270 0.000 -2.705) 2.718 12.431 ( 0.270 0.000 2.705) 2.718 12.718 ( 7.290 0.000 -4.949) 8.811 12.718 ( 7.290 0.000 4.949) 8.811 12.890 ( 7.724 0.000 -7.707) 10.912 12.890 ( 7.724 0.000 7.707) 10.912 13.035 ( 0.165 0.000 -20.372) 20.373 13.035 ( 0.165 0.000 20.372) 20.373 13.616 ( -6.250 0.000 -12.166) 13.677 13.616 ( -6.250 0.000 12.166) 13.677 13.868 ( 2.178 0.000 -9.901) 10.138 13.868 ( 2.178 0.000 9.901) 10.138 14.268 ( -17.624 0.000 -12.679) 21.711 14.268 ( -17.624 0.000 12.679) 21.711 14.755 ( -1.811 0.000 -14.977) 15.086 14.755 ( -1.811 0.000 14.977) 15.086 15.819 ( -15.894 0.000 -20.436) 25.889 15.819 ( -15.894 0.000 20.436) 25.889 16.029 ( -22.281 0.000 -3.383) 22.536 16.029 ( -22.281 0.000 3.383) 22.536 16.622 ( -11.874 0.000 -21.131) 24.239 16.622 ( -11.874 0.000 21.131) 24.239 17.075 ( 9.168 0.000 -20.821) 22.750 17.075 ( 9.168 0.000 20.821) 22.750 18.662 ( -34.049 0.000 -6.406) 34.646 18.662 ( -34.049 0.000 6.406) 34.646 18.766 ( -16.949 0.000 -2.950) 17.204 18.766 ( -16.949 0.000 2.950) 17.204 19.220 ( 5.055 0.000 -0.372) 5.069 19.220 ( 5.055 0.000 0.372) 5.069 19.476 ( 6.758 0.000 -4.383) 8.055 19.476 ( 6.758 0.000 4.383) 8.055 19.796 ( 0.423 0.000 -1.902) 1.948 19.796 ( 0.423 0.000 1.902) 1.948 20.004 ( 1.476 0.000 -0.420) 1.534 20.004 ( 1.476 0.000 0.420) 1.534 20.086 ( 1.043 0.000 -0.810) 1.321 20.086 ( 1.043 0.000 0.810) 1.321 20.472 ( -12.714 0.000 -4.532) 13.497 20.472 ( -12.714 0.000 4.532) 13.497 20.910 ( 3.034 0.000 -2.809) 4.134 20.910 ( 3.034 0.000 2.809) 4.134 21.012 ( -0.125 0.000 -3.389) 3.391 21.012 ( -0.125 0.000 3.389) 3.391 21.077 ( -1.971 0.000 -3.788) 4.270 21.077 ( -1.971 0.000 3.788) 4.270 21.344 ( -3.541 0.000 -3.097) 4.704 21.344 ( -3.541 0.000 3.097) 4.704 22.083 ( -1.535 0.000 -2.595) 3.015 22.083 ( -1.535 0.000 2.595) 3.015 22.170 ( 0.131 0.000 -2.449) 2.453 22.170 ( 0.131 0.000 2.449) 2.453 22.243 ( -0.919 0.000 -4.376) 4.472 22.243 ( -0.919 0.000 4.376) 4.472 22.752 ( 10.699 0.000 -1.475) 10.800 22.752 ( 10.699 0.000 1.475) 10.800 22.835 ( 2.513 0.000 -3.511) 4.317 22.835 ( 2.513 0.000 3.511) 4.317 22.879 ( -12.989 0.000 -2.042) 13.148 22.879 ( -12.989 0.000 2.042) 13.148 22.980 ( -7.409 0.000 -1.954) 7.663 22.980 ( -7.409 0.000 1.954) 7.663 23.090 ( -4.406 0.000 -1.389) 4.620 23.090 ( -4.406 0.000 1.389) 4.620 23.389 ( 6.260 0.000 -3.759) 7.302 23.389 ( 6.260 0.000 3.759) 7.302 23.656 ( -2.250 0.000 -6.180) 6.577 23.656 ( -2.250 0.000 6.180) 6.577 23.794 ( -0.599 0.000 -12.756) 12.770 23.794 ( -0.599 0.000 12.756) 12.770 24.004 ( 6.169 0.000 -7.518) 9.725 24.004 ( 6.169 0.000 7.518) 9.725 24.126 ( 8.560 0.000 -3.637) 9.300 24.126 ( 8.560 0.000 3.637) 9.300 24.809 ( 9.774 0.000 -1.255) 9.854 24.809 ( 9.774 0.000 1.255) 9.854 25.019 ( 1.081 0.000 -1.130) 1.564 25.019 ( 1.081 0.000 1.130) 1.564 25.106 ( 3.573 0.000 -0.346) 3.590 25.106 ( 3.573 0.000 0.346) 3.590 25.229 ( -0.723 0.000 -7.120) 7.156 25.229 ( -0.723 0.000 7.120) 7.156 25.640 ( -0.462 0.000 -0.177) 0.495 25.640 ( -0.462 0.000 0.177) 0.495 25.879 ( 7.264 0.000 -2.205) 7.592 25.879 ( 7.264 0.000 2.205) 7.592 26.004 ( 2.178 0.000 -1.064) 2.424 26.004 ( 2.178 0.000 1.064) 2.424 26.911 ( 0.044 0.000 -4.375) 4.375 26.911 ( 0.044 0.000 4.375) 4.375 27.034 ( -3.219 0.000 -4.559) 5.581 27.034 ( -3.219 0.000 4.559) 5.581 27.638 ( -23.455 0.000 -3.151) 23.665 27.638 ( -23.455 0.000 3.151) 23.665 27.725 ( -23.209 0.000 -1.335) 23.247 27.725 ( -23.209 0.000 1.335) 23.247 30.643 ( 15.196 0.000 -1.743) 15.296 30.643 ( 15.196 0.000 1.743) 15.296 31.192 ( -0.673 0.000 -3.949) 4.006 31.192 ( -0.673 0.000 3.949) 4.006 31.479 ( 15.599 0.000 -4.623) 16.269 31.479 ( 15.599 0.000 4.623) 16.269 31.823 ( 3.917 0.000 -2.617) 4.711 31.823 ( 3.917 0.000 2.617) 4.711 35.000 ( -1.686 0.000 -0.731) 1.838 35.000 ( -1.686 0.000 0.731) 1.838 35.034 ( -2.951 0.000 -0.315) 2.968 35.034 ( -2.951 0.000 0.315) 2.968 35.492 ( 1.362 0.000 -3.417) 3.678 35.492 ( 1.362 0.000 3.417) 3.678 35.719 ( -5.498 0.000 -2.313) 5.965 35.719 ( -5.498 0.000 2.313) 5.965 39.789 ( 10.705 0.000 -3.149) 11.159 39.789 ( 10.705 0.000 3.149) 11.159 39.889 ( 13.901 0.000 -0.750) 13.921 39.889 ( 13.901 0.000 0.750) 13.921 40.346 ( -4.343 0.000 -9.593) 10.530 40.346 ( -4.343 0.000 9.593) 10.530 40.689 ( -5.676 0.000 -12.702) 13.913 40.689 ( -5.676 0.000 12.702) 13.913 41.195 ( 17.762 0.000 -7.386) 19.237 41.195 ( 17.762 0.000 7.386) 19.237 41.615 ( 0.284 0.000 -3.194) 3.207 41.615 ( 0.284 0.000 3.194) 3.207 41.784 ( 14.213 0.000 -7.539) 16.088 41.784 ( 14.213 0.000 7.539) 16.088 42.294 ( -0.584 0.000 -5.354) 5.386 42.294 ( -0.584 0.000 5.354) 5.386 98.219 ( 24.694 0.000 -0.115) 24.694 98.219 ( 24.694 0.000 0.115) 24.694 98.453 ( 21.916 0.000 -4.733) 22.421 98.453 ( 21.916 0.000 4.733) 22.421 99.567 ( -17.420 0.000 -0.658) 17.432 99.567 ( -17.420 0.000 0.658) 17.432 99.695 ( -17.578 0.000 -1.622) 17.653 99.695 ( -17.578 0.000 1.622) 17.653 ======================= Grid point 120 (42/54) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.238 ( 10.079 0.000 -0.453) 10.089 4.238 ( 10.079 0.000 0.453) 10.089 4.389 ( -0.994 0.000 -4.555) 4.662 4.389 ( -0.994 0.000 4.555) 4.662 4.576 ( 6.405 0.000 -0.511) 6.425 4.576 ( 6.405 0.000 0.511) 6.425 4.603 ( -0.429 0.000 -0.721) 0.839 4.603 ( -0.429 0.000 0.721) 0.839 5.384 ( 11.995 0.000 -9.657) 15.399 5.384 ( 11.995 0.000 9.657) 15.399 5.586 ( -7.176 0.000 -6.272) 9.531 5.586 ( -7.176 0.000 6.272) 9.531 6.015 ( 11.864 0.000 -7.094) 13.823 6.015 ( 11.864 0.000 7.094) 13.823 6.278 ( -10.909 0.000 -1.080) 10.963 6.278 ( -10.909 0.000 1.080) 10.963 6.501 ( 12.224 0.000 -13.522) 18.228 6.501 ( 12.224 0.000 13.522) 18.228 6.761 ( -11.744 0.000 -17.989) 21.483 6.761 ( -11.744 0.000 17.989) 21.483 7.713 ( 18.110 0.000 -9.192) 20.309 7.713 ( 18.110 0.000 9.192) 20.309 8.068 ( -15.069 0.000 -11.792) 19.135 8.068 ( -15.069 0.000 11.792) 19.135 8.389 ( 12.838 0.000 -2.125) 13.012 8.389 ( 12.838 0.000 2.125) 13.012 8.532 ( -3.355 0.000 -2.454) 4.157 8.532 ( -3.355 0.000 2.454) 4.157 8.639 ( 18.147 0.000 -4.803) 18.772 8.639 ( 18.147 0.000 4.803) 18.772 8.868 ( -0.488 0.000 -3.715) 3.747 8.868 ( -0.488 0.000 3.715) 3.747 9.087 ( 17.791 0.000 -7.268) 19.218 9.087 ( 17.791 0.000 7.268) 19.218 9.413 ( -4.654 0.000 -0.820) 4.725 9.413 ( -4.654 0.000 0.820) 4.725 9.579 ( 4.493 0.000 -8.686) 9.779 9.579 ( 4.493 0.000 8.686) 9.779 9.713 ( -11.394 0.000 -0.835) 11.425 9.713 ( -11.394 0.000 0.835) 11.425 10.483 ( 4.585 0.000 -3.870) 6.000 10.483 ( 4.585 0.000 3.870) 6.000 10.639 ( 5.020 0.000 -2.250) 5.501 10.639 ( 5.020 0.000 2.250) 5.501 10.838 ( -1.488 0.000 -4.806) 5.031 10.838 ( -1.489 0.000 4.806) 5.031 11.020 ( -4.979 0.000 -6.877) 8.490 11.020 ( -4.979 0.000 6.877) 8.490 11.195 ( -2.422 0.000 -3.442) 4.209 11.195 ( -2.422 0.000 3.442) 4.209 11.422 ( -11.123 0.000 -8.205) 13.822 11.422 ( -11.123 0.000 8.205) 13.822 11.714 ( 13.403 0.000 -5.411) 14.454 11.714 ( 13.403 0.000 5.411) 14.454 11.977 ( -9.322 0.000 -4.379) 10.300 11.977 ( -9.322 0.000 4.379) 10.300 12.536 ( 7.842 0.000 -11.122) 13.608 12.536 ( 7.842 0.000 11.122) 13.608 12.726 ( -9.170 0.000 -17.060) 19.368 12.726 ( -9.170 0.000 17.060) 19.368 13.087 ( 13.308 0.000 -14.671) 19.807 13.087 ( 13.308 0.000 14.671) 19.807 13.178 ( 6.332 0.000 -14.436) 15.763 13.178 ( 6.332 0.000 14.436) 15.763 13.650 ( 9.614 0.000 -10.882) 14.520 13.650 ( 9.614 0.000 10.882) 14.520 13.869 ( -6.295 0.000 -7.783) 10.010 13.869 ( -6.295 0.000 7.783) 10.010 14.122 ( 5.424 0.000 -3.132) 6.264 14.122 ( 5.424 0.000 3.132) 6.264 14.471 ( -22.579 0.000 -3.316) 22.821 14.471 ( -22.579 0.000 3.316) 22.821 15.675 ( 7.835 0.000 -8.211) 11.349 15.675 ( 7.835 0.000 8.211) 11.349 16.099 ( -17.556 0.000 -9.867) 20.139 16.099 ( -17.556 0.000 9.867) 20.139 16.282 ( 23.790 0.000 -5.990) 24.533 16.282 ( 23.790 0.000 5.990) 24.533 17.010 ( -25.941 0.000 -13.942) 29.450 17.010 ( -25.941 0.000 13.942) 29.450 18.173 ( -2.434 0.000 -1.678) 2.957 18.173 ( -2.434 0.000 1.678) 2.957 18.406 ( -17.474 0.000 -4.330) 18.002 18.406 ( -17.474 0.000 4.330) 18.002 19.416 ( 11.375 0.000 -7.952) 13.879 19.416 ( 11.375 0.000 7.952) 13.879 19.573 ( -1.116 0.000 -7.001) 7.090 19.573 ( -1.116 0.000 7.001) 7.090 19.803 ( 5.487 0.000 -4.753) 7.259 19.803 ( 5.487 0.000 4.753) 7.259 20.021 ( -9.608 0.000 -5.983) 11.319 20.021 ( -9.608 0.000 5.983) 11.319 20.086 ( 4.858 0.000 -0.375) 4.873 20.086 ( 4.858 0.000 0.375) 4.873 20.205 ( -9.112 0.000 -0.001) 9.112 20.205 ( -9.112 0.000 0.001) 9.112 20.957 ( 1.987 0.000 -3.157) 3.730 20.957 ( 1.987 0.000 3.157) 3.730 20.995 ( -1.577 0.000 -0.374) 1.620 20.995 ( -1.577 0.000 0.374) 1.620 21.147 ( 6.299 0.000 -2.206) 6.674 21.147 ( 6.299 0.000 2.206) 6.674 21.268 ( -4.852 0.000 -1.431) 5.058 21.268 ( -4.852 0.000 1.431) 5.058 22.080 ( 1.683 0.000 -1.816) 2.476 22.080 ( 1.683 0.000 1.816) 2.476 22.135 ( -2.901 0.000 -1.260) 3.163 22.135 ( -2.901 0.000 1.260) 3.163 22.322 ( 8.423 0.000 -2.573) 8.807 22.322 ( 8.423 0.000 2.573) 8.807 22.565 ( -14.594 0.000 -0.243) 14.596 22.565 ( -14.594 0.000 0.243) 14.596 22.824 ( 1.121 0.000 -0.818) 1.388 22.824 ( 1.121 0.000 0.818) 1.388 22.876 ( -2.719 0.000 -2.874) 3.957 22.876 ( -2.719 0.000 2.874) 3.957 22.927 ( 2.448 0.000 -2.566) 3.546 22.927 ( 2.448 0.000 2.566) 3.546 22.998 ( -4.334 0.000 -0.766) 4.401 22.998 ( -4.334 0.000 0.766) 4.401 23.552 ( 8.503 0.000 -3.391) 9.154 23.552 ( 8.503 0.000 3.391) 9.154 23.665 ( -0.705 0.000 -3.373) 3.446 23.665 ( -0.705 0.000 3.373) 3.446 23.790 ( 2.945 0.000 -8.635) 9.123 23.790 ( 2.945 0.000 8.635) 9.123 23.924 ( -7.399 0.000 -4.336) 8.576 23.924 ( -7.399 0.000 4.336) 8.576 24.569 ( 23.323 0.000 -4.697) 23.792 24.569 ( 23.323 0.000 4.697) 23.792 24.918 ( -10.684 0.000 -3.296) 11.181 24.918 ( -10.684 0.000 3.296) 11.181 25.049 ( 13.570 0.000 -1.170) 13.620 25.049 ( 13.570 0.000 1.170) 13.620 25.161 ( 1.256 0.000 -1.411) 1.889 25.161 ( 1.256 0.000 1.411) 1.889 25.232 ( 1.891 0.000 -7.550) 7.783 25.232 ( 1.891 0.000 7.550) 7.783 25.472 ( -16.130 0.000 -0.024) 16.130 25.472 ( -16.130 0.000 0.024) 16.130 25.981 ( 5.497 0.000 -5.959) 8.107 25.981 ( 5.497 0.000 5.959) 8.107 26.058 ( 0.011 0.000 -2.452) 2.452 26.058 ( 0.011 0.000 2.452) 2.452 26.973 ( 6.741 0.000 -7.937) 10.413 26.973 ( 6.741 0.000 7.937) 10.413 27.060 ( 6.421 0.000 -3.497) 7.311 27.060 ( 6.421 0.000 3.497) 7.311 27.211 ( -16.855 0.000 -5.940) 17.871 27.211 ( -16.855 0.000 5.940) 17.871 27.305 ( -16.868 0.000 -1.055) 16.901 27.305 ( -16.868 0.000 1.055) 16.901 30.924 ( 11.784 0.000 -2.193) 11.987 30.924 ( 11.784 0.000 2.193) 11.987 31.115 ( -6.665 0.000 -4.338) 7.953 31.115 ( -6.665 0.000 4.338) 7.953 31.732 ( 8.891 0.000 -3.412) 9.524 31.732 ( 8.891 0.000 3.412) 9.524 31.844 ( -2.108 0.000 -1.346) 2.501 31.844 ( -2.108 0.000 1.346) 2.501 34.977 ( -0.318 0.000 -0.706) 0.774 34.977 ( -0.318 0.000 0.706) 0.774 34.989 ( -1.456 0.000 -0.167) 1.465 34.989 ( -1.456 0.000 0.167) 1.465 35.542 ( 3.302 0.000 -1.409) 3.590 35.542 ( 3.302 0.000 1.409) 3.590 35.621 ( -4.252 0.000 -0.608) 4.295 35.621 ( -4.252 0.000 0.608) 4.295 40.002 ( 9.929 0.000 -1.232) 10.006 40.002 ( 9.929 0.000 1.232) 10.006 40.144 ( 4.006 0.000 -6.843) 7.929 40.144 ( 4.006 0.000 6.843) 7.929 40.252 ( 2.190 0.000 -3.390) 4.036 40.252 ( 2.190 0.000 3.390) 4.036 40.486 ( -12.591 0.000 -9.167) 15.575 40.486 ( -12.591 0.000 9.167) 15.575 41.482 ( 9.944 0.000 -5.693) 11.458 41.482 ( 9.944 0.000 5.693) 11.458 41.605 ( -2.421 0.000 -4.947) 5.507 41.605 ( -2.421 0.000 4.947) 5.507 42.055 ( 11.198 0.000 -4.144) 11.940 42.055 ( 11.198 0.000 4.144) 11.940 42.230 ( -5.805 0.000 -0.099) 5.806 42.230 ( -5.805 0.000 0.099) 5.806 98.715 ( 23.400 0.000 -0.216) 23.401 98.715 ( 23.400 0.000 0.216) 23.401 98.894 ( 20.821 0.000 -2.398) 20.959 98.894 ( 20.821 0.000 2.398) 20.959 99.174 ( -20.626 0.000 -0.459) 20.631 99.174 ( -20.626 0.000 0.459) 20.631 99.314 ( -19.504 0.000 -0.411) 19.508 99.314 ( -19.504 0.000 0.411) 19.508 ======================= Grid point 132 (43/54) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 0.000 7.414 -37.624) 38.348 2.004 ( 0.000 7.414 37.624) 38.348 2.582 ( 0.000 8.620 -51.874) 52.586 2.582 ( 0.000 8.620 51.874) 52.586 3.149 ( 0.000 -27.484 -13.041) 30.421 3.149 ( 0.000 -27.484 13.041) 30.421 3.440 ( 0.000 2.249 -23.771) 23.877 3.440 ( 0.000 2.249 23.771) 23.877 3.622 ( 0.000 3.210 -11.417) 11.860 3.622 ( 0.000 3.210 11.417) 11.860 4.449 ( 0.000 14.117 -14.991) 20.592 4.449 ( 0.000 14.117 14.991) 20.592 4.964 ( 0.000 15.718 -3.283) 16.057 4.964 ( 0.000 15.718 3.283) 16.057 5.311 ( 0.000 1.123 -21.497) 21.526 5.311 ( 0.000 1.123 21.497) 21.526 5.786 ( 0.000 2.434 -17.016) 17.189 5.786 ( 0.000 2.434 17.016) 17.189 6.301 ( 0.000 -3.937 -18.193) 18.614 6.301 ( 0.000 -3.937 18.193) 18.614 6.709 ( 0.000 0.211 -30.057) 30.057 6.709 ( 0.000 0.211 30.057) 30.057 7.036 ( 0.000 7.023 -17.558) 18.910 7.036 ( 0.000 7.023 17.558) 18.910 7.045 ( 0.000 -19.418 -16.549) 25.513 7.045 ( 0.000 -19.418 16.549) 25.513 7.555 ( 0.000 5.287 -21.261) 21.909 7.555 ( 0.000 5.287 21.261) 21.909 7.903 ( 0.000 -9.600 -2.750) 9.986 7.903 ( 0.000 -9.600 2.750) 9.986 7.946 ( 0.000 7.421 -20.327) 21.640 7.946 ( 0.000 7.421 20.327) 21.640 8.316 ( 0.000 -12.303 -6.927) 14.119 8.316 ( 0.000 -12.303 6.927) 14.119 8.724 ( 0.000 -4.286 -4.533) 6.239 8.724 ( 0.000 -4.286 4.533) 6.239 9.119 ( 0.000 4.302 -8.690) 9.697 9.119 ( 0.000 4.302 8.690) 9.697 9.402 ( 0.000 -0.686 -6.271) 6.308 9.402 ( 0.000 -0.686 6.271) 6.308 9.727 ( 0.000 -2.364 -13.926) 14.125 9.727 ( 0.000 -2.364 13.926) 14.125 9.813 ( 0.000 -7.278 -4.206) 8.406 9.813 ( 0.000 -7.278 4.206) 8.406 10.627 ( 0.000 6.432 -12.992) 14.497 10.627 ( 0.000 6.432 12.992) 14.497 10.768 ( 0.000 2.257 -8.490) 8.785 10.768 ( 0.000 2.257 8.490) 8.785 11.372 ( 0.000 1.334 -12.379) 12.451 11.372 ( 0.000 1.334 12.379) 12.451 11.586 ( 0.000 -3.986 -12.646) 13.259 11.586 ( 0.000 -3.986 12.646) 13.259 11.921 ( 0.000 6.217 -15.533) 16.731 11.921 ( 0.000 6.217 15.533) 16.731 12.247 ( 0.000 -2.211 -6.792) 7.143 12.247 ( 0.000 -2.211 6.792) 7.143 12.682 ( 0.000 4.024 -11.157) 11.860 12.682 ( 0.000 4.024 11.157) 11.860 12.898 ( 0.000 1.960 -4.039) 4.489 12.898 ( 0.000 1.960 4.039) 4.489 13.271 ( 0.000 2.399 -8.975) 9.290 13.271 ( 0.000 2.399 8.975) 9.290 13.369 ( 0.000 -2.759 -7.580) 8.067 13.369 ( 0.000 -2.759 7.580) 8.067 14.423 ( 0.000 6.612 -18.038) 19.211 14.423 ( 0.000 6.612 18.038) 19.211 14.782 ( 0.000 -7.315 -19.112) 20.464 14.782 ( 0.000 -7.315 19.112) 20.464 15.558 ( 0.000 3.297 -26.644) 26.847 15.558 ( 0.000 3.297 26.644) 26.847 15.738 ( 0.000 -1.251 -28.527) 28.554 15.738 ( 0.000 -1.251 28.527) 28.554 16.193 ( 0.000 2.643 -24.427) 24.570 16.193 ( 0.000 2.643 24.427) 24.570 16.863 ( 0.000 -11.232 -25.853) 28.187 16.863 ( 0.000 -11.232 25.853) 28.187 18.342 ( 0.000 1.264 -25.450) 25.481 18.342 ( 0.000 1.264 25.450) 25.481 18.509 ( 0.000 0.992 -20.007) 20.032 18.509 ( 0.000 0.992 20.007) 20.032 18.596 ( 0.000 2.499 -17.058) 17.240 18.596 ( 0.000 2.499 17.058) 17.240 18.779 ( 0.000 1.599 -6.035) 6.243 18.779 ( 0.000 1.599 6.035) 6.243 19.192 ( 0.000 -2.365 -18.995) 19.142 19.192 ( 0.000 -3.093 -1.097) 3.282 19.192 ( 0.000 -3.093 1.096) 3.281 19.192 ( 0.000 -2.365 18.997) 19.143 19.660 ( 0.000 0.394 -5.204) 5.218 19.660 ( 0.000 0.394 5.204) 5.218 19.985 ( 0.000 8.248 -15.779) 17.805 19.985 ( 0.000 8.248 15.779) 17.805 20.061 ( 0.000 -9.771 -3.577) 10.405 20.061 ( 0.000 -9.771 3.577) 10.405 20.394 ( 0.000 -1.390 -5.483) 5.656 20.394 ( 0.000 -1.390 5.483) 5.656 21.034 ( 0.000 2.728 -9.642) 10.021 21.034 ( 0.000 2.728 9.642) 10.021 21.353 ( 0.000 -6.293 -8.298) 10.414 21.353 ( 0.000 -6.293 8.298) 10.414 21.658 ( 0.000 0.190 -4.955) 4.959 21.658 ( 0.000 0.190 4.955) 4.959 21.721 ( 0.000 2.451 -8.080) 8.444 21.721 ( 0.000 2.451 8.080) 8.444 22.109 ( 0.000 1.872 -4.039) 4.452 22.109 ( 0.000 1.872 4.039) 4.452 22.224 ( 0.000 -2.551 -1.579) 3.000 22.224 ( 0.000 -2.551 1.579) 3.000 22.411 ( 0.000 1.544 -6.424) 6.607 22.411 ( 0.000 1.544 6.424) 6.607 22.723 ( 0.000 -4.575 -12.600) 13.405 22.723 ( 0.000 -4.575 12.600) 13.405 22.954 ( 0.000 0.285 -6.380) 6.387 22.954 ( 0.000 0.285 6.380) 6.387 23.192 ( 0.000 -3.059 -4.712) 5.618 23.192 ( 0.000 -3.059 4.712) 5.618 23.200 ( 0.000 6.701 -2.135) 7.033 23.200 ( 0.000 6.701 2.135) 7.033 23.339 ( 0.000 7.275 -2.777) 7.787 23.339 ( 0.000 7.275 2.777) 7.787 23.340 ( 0.000 0.389 -4.837) 4.853 23.340 ( 0.000 0.389 4.837) 4.853 23.888 ( 0.000 -2.844 -15.050) 15.316 23.888 ( 0.000 -2.844 15.050) 15.316 23.916 ( 0.000 10.360 -14.017) 17.430 23.916 ( 0.000 10.360 14.017) 17.430 24.239 ( 0.000 10.674 -8.524) 13.659 24.239 ( 0.000 10.674 8.524) 13.659 24.390 ( 0.000 -4.259 -7.316) 8.465 24.390 ( 0.000 -4.259 7.316) 8.465 24.513 ( 0.000 -1.325 -1.583) 2.064 24.513 ( 0.000 -1.325 1.583) 2.064 24.618 ( 0.000 -0.310 -3.602) 3.615 24.618 ( 0.000 -0.310 3.602) 3.615 24.627 ( 0.000 -0.951 -3.056) 3.200 24.627 ( 0.000 -0.951 3.056) 3.200 24.781 ( 0.000 2.236 -2.870) 3.639 24.781 ( 0.000 2.236 2.870) 3.639 24.927 ( 0.000 0.495 -2.077) 2.135 24.927 ( 0.000 0.495 2.077) 2.135 25.292 ( 0.000 1.243 -5.818) 5.949 25.292 ( 0.000 1.243 5.818) 5.949 25.931 ( 0.000 -11.026 -21.424) 24.095 25.931 ( 0.000 -11.026 21.424) 24.095 27.145 ( 0.000 3.808 -3.630) 5.261 27.145 ( 0.000 3.808 3.630) 5.261 27.615 ( 0.000 -10.746 -7.222) 12.947 27.615 ( 0.000 -10.746 7.222) 12.947 29.004 ( 0.000 0.575 -0.637) 0.858 29.004 ( 0.000 0.575 0.637) 0.858 29.059 ( 0.000 -0.776 -2.339) 2.465 29.059 ( 0.000 -0.776 2.339) 2.465 29.711 ( 0.000 2.190 -8.136) 8.426 29.711 ( 0.000 2.190 8.136) 8.426 29.882 ( 0.000 -1.141 -12.935) 12.986 29.882 ( 0.000 -1.141 12.935) 12.986 30.833 ( 0.000 10.484 -7.967) 13.168 30.833 ( 0.000 10.484 7.967) 13.168 31.352 ( 0.000 -3.981 -9.971) 10.736 31.352 ( 0.000 -3.981 9.971) 10.736 35.233 ( 0.000 6.933 -7.762) 10.408 35.233 ( 0.000 6.933 7.762) 10.408 35.410 ( 0.000 7.898 -1.129) 7.978 35.410 ( 0.000 7.898 1.129) 7.978 35.646 ( 0.000 -1.699 -7.393) 7.585 35.646 ( 0.000 -1.699 7.393) 7.585 36.334 ( 0.000 -11.998 -2.365) 12.229 36.334 ( 0.000 -11.998 2.365) 12.229 39.080 ( 0.000 0.447 -6.897) 6.911 39.080 ( 0.000 0.447 6.897) 6.911 39.128 ( 0.000 -0.613 -5.568) 5.602 39.128 ( 0.000 -0.613 5.568) 5.602 39.725 ( 0.000 3.035 -26.482) 26.656 39.725 ( 0.000 3.035 26.482) 26.656 39.893 ( 0.000 0.466 -7.649) 7.663 39.893 ( 0.000 0.466 7.649) 7.663 40.001 ( 0.000 -1.409 -6.289) 6.445 40.001 ( 0.000 -1.409 6.289) 6.445 40.582 ( 0.000 -31.156 -17.309) 35.641 40.582 ( 0.000 -31.156 17.309) 35.641 42.018 ( 0.000 17.415 -24.792) 30.297 42.018 ( 0.000 17.415 24.792) 30.297 42.207 ( 0.000 1.646 -20.237) 20.303 42.207 ( 0.000 1.646 20.237) 20.303 96.809 ( 0.000 0.113 -0.016) 0.114 96.809 ( 0.000 0.113 0.016) 0.114 96.818 ( 0.000 -0.069 -0.123) 0.141 96.818 ( 0.000 -0.069 0.123) 0.141 100.332 ( 0.000 1.706 -2.437) 2.975 100.332 ( 0.000 1.706 2.437) 2.975 100.638 ( 0.000 -7.458 -4.151) 8.535 100.638 ( 0.000 -7.458 4.151) 8.535 ======================= Grid point 134 (44/54) ======================= q-point: ( 0.09 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 27.595 9.582 -27.460) 40.092 2.262 ( 27.595 9.582 27.460) 40.092 3.036 ( 25.449 -5.611 -18.995) 32.248 3.036 ( 25.449 -5.611 18.995) 32.248 3.329 ( 16.749 -3.165 -14.928) 22.659 3.329 ( 16.749 -3.165 14.928) 22.659 3.798 ( 36.302 8.166 -18.383) 41.502 3.798 ( 36.302 8.166 18.383) 41.502 4.027 ( 31.468 -3.203 -14.823) 34.932 4.027 ( 31.468 -3.203 14.823) 34.932 4.682 ( 22.337 7.656 -15.345) 28.161 4.682 ( 22.337 7.656 15.345) 28.161 4.893 ( 1.654 3.869 -1.706) 4.541 4.893 ( 1.654 3.869 1.706) 4.541 5.438 ( 8.588 2.647 -17.340) 19.531 5.438 ( 8.588 2.647 17.340) 19.531 5.794 ( 2.741 0.778 -13.484) 13.781 5.794 ( 2.741 0.778 13.484) 13.781 6.320 ( 2.367 0.318 -12.896) 13.115 6.320 ( 2.367 0.318 12.896) 13.115 6.704 ( -2.207 0.079 -18.261) 18.394 6.704 ( -2.207 0.079 18.261) 18.394 7.032 ( 5.266 12.728 -17.046) 21.916 7.032 ( 5.266 12.728 17.046) 21.916 7.183 ( 8.992 -18.976 -10.499) 23.478 7.183 ( 8.992 -18.976 10.499) 23.478 7.657 ( 10.129 4.234 -12.194) 16.408 7.657 ( 10.129 4.234 12.194) 16.408 7.939 ( 5.219 -7.108 -3.349) 9.432 7.939 ( 5.219 -7.108 3.349) 9.432 8.080 ( 10.683 1.642 -14.785) 18.315 8.080 ( 10.683 1.642 14.785) 18.315 8.338 ( 2.464 -10.684 -3.648) 11.556 8.338 ( 2.464 -10.684 3.648) 11.556 8.750 ( 1.804 -6.484 -4.169) 7.917 8.750 ( 1.804 -6.484 4.169) 7.917 9.077 ( -3.679 3.634 -6.255) 8.115 9.077 ( -3.679 3.634 6.255) 8.115 9.425 ( 2.177 -0.805 -6.460) 6.865 9.425 ( 2.177 -0.805 6.460) 6.865 9.623 ( -3.532 1.443 -9.720) 10.442 9.623 ( -3.532 1.443 9.720) 10.442 10.002 ( 11.247 -6.647 -3.487) 13.522 10.002 ( 11.247 -6.647 3.487) 13.522 10.569 ( -3.171 4.959 -16.110) 17.152 10.569 ( -3.171 4.959 16.110) 17.152 10.818 ( 3.635 2.120 -4.601) 6.235 10.818 ( 3.635 2.120 4.601) 6.235 11.354 ( -1.531 1.429 -11.913) 12.096 11.354 ( -1.531 1.429 11.913) 12.096 11.633 ( 4.177 -5.362 -8.124) 10.593 11.633 ( 4.177 -5.362 8.124) 10.593 11.867 ( -3.831 6.589 -9.415) 12.114 11.867 ( -3.831 6.589 9.415) 12.114 12.325 ( 5.987 -2.039 -5.630) 8.468 12.325 ( 5.987 -2.039 5.630) 8.468 12.648 ( -2.964 5.974 -8.101) 10.493 12.648 ( -2.964 5.974 8.101) 10.493 12.908 ( 0.655 -0.131 -1.364) 1.519 12.908 ( 0.655 -0.131 1.364) 1.519 13.193 ( -8.583 -0.149 -11.363) 14.241 13.193 ( -8.583 -0.149 11.363) 14.241 13.291 ( -6.642 -1.073 -5.524) 8.705 13.291 ( -6.642 -1.073 5.524) 8.705 14.271 ( -13.200 6.101 -14.820) 20.763 14.271 ( -13.200 6.101 14.820) 20.763 14.577 ( -14.176 -1.125 -3.598) 14.668 14.577 ( -14.176 -1.125 3.598) 14.668 15.696 ( 5.127 -1.018 -6.984) 8.723 15.696 ( 5.127 -1.018 6.984) 8.723 15.818 ( 0.179 -2.974 -10.725) 11.131 15.818 ( 0.179 -2.974 10.725) 11.131 16.003 ( -11.580 4.657 -21.616) 24.961 16.003 ( -11.580 4.657 21.616) 24.961 16.618 ( -17.486 -7.412 -20.165) 27.701 16.618 ( -17.486 -7.412 20.165) 27.701 18.019 ( -27.413 1.465 -8.681) 28.792 18.019 ( -27.413 1.465 8.681) 28.792 18.123 ( -25.822 -1.021 -11.599) 28.326 18.123 ( -25.822 -1.021 11.599) 28.326 18.747 ( 11.986 4.039 -8.493) 15.235 18.747 ( 11.986 4.039 8.493) 15.235 19.044 ( 11.515 -2.086 -4.428) 12.513 19.044 ( 11.515 -2.086 4.428) 12.513 19.178 ( 0.554 -2.126 -11.470) 11.679 19.178 ( 0.554 -2.126 11.470) 11.679 19.280 ( 6.823 -1.823 -5.959) 9.241 19.280 ( 6.823 -1.823 5.959) 9.241 19.688 ( 2.460 -0.104 -5.214) 5.766 19.688 ( 2.460 -0.104 5.214) 5.766 19.994 ( 0.607 6.962 -12.933) 14.700 19.994 ( 0.607 6.962 12.933) 14.700 20.059 ( -0.215 -7.822 -2.791) 8.308 20.059 ( -0.215 -7.822 2.791) 8.308 20.429 ( 3.403 -2.066 -6.581) 7.692 20.429 ( 3.403 -2.066 6.581) 7.692 21.040 ( 0.335 2.049 -7.684) 7.959 21.040 ( 0.335 2.049 7.684) 7.959 21.250 ( -7.496 -3.444 -3.339) 8.900 21.250 ( -7.496 -3.444 3.339) 8.900 21.571 ( -7.348 2.930 -5.800) 9.809 21.571 ( -7.348 2.930 5.800) 9.809 21.782 ( 5.204 -1.124 -2.819) 6.024 21.782 ( 5.204 -1.124 2.819) 6.024 21.988 ( -4.862 3.757 -4.442) 7.582 21.988 ( -4.862 3.757 4.442) 7.582 22.207 ( -3.987 -5.372 -2.791) 7.249 22.207 ( -3.987 -5.372 2.791) 7.249 22.405 ( -3.063 1.746 -7.091) 7.920 22.405 ( -3.063 1.746 7.091) 7.920 22.666 ( -4.332 -2.874 -8.455) 9.925 22.666 ( -4.332 -2.874 8.455) 9.925 22.905 ( -13.814 3.754 -3.918) 14.841 22.905 ( -13.814 3.754 3.918) 14.841 23.137 ( 5.535 2.046 -3.820) 7.029 23.137 ( 5.535 2.046 3.820) 7.029 23.250 ( 0.346 3.013 -1.545) 3.404 23.250 ( 0.346 3.013 1.545) 3.404 23.392 ( 4.175 3.703 -2.454) 6.097 23.392 ( 4.175 3.703 2.454) 6.097 23.504 ( 6.686 3.517 -1.308) 7.667 23.504 ( 6.686 3.517 1.308) 7.667 23.700 ( -3.752 2.843 -4.504) 6.515 23.700 ( -3.752 2.843 4.504) 6.515 23.996 ( -1.961 -1.074 -6.213) 6.603 23.996 ( -1.961 -1.074 6.213) 6.603 24.161 ( -2.256 4.470 -1.349) 5.186 24.161 ( -2.256 4.470 1.349) 5.186 24.256 ( -12.738 3.355 -3.087) 13.529 24.256 ( -12.738 3.355 3.087) 13.529 24.504 ( 3.598 -3.158 -1.894) 5.148 24.504 ( 3.598 -3.158 1.894) 5.148 24.564 ( -5.465 -0.316 -0.339) 5.484 24.564 ( -5.465 -0.316 0.339) 5.484 24.762 ( 7.134 -3.783 -1.114) 8.152 24.762 ( 7.134 -3.783 1.114) 8.152 24.888 ( 11.110 3.747 -2.479) 11.984 24.888 ( 11.110 3.747 2.479) 11.984 25.069 ( 12.213 -1.022 -1.150) 12.309 25.069 ( 12.213 -1.022 1.150) 12.309 25.441 ( 10.686 0.673 -4.307) 11.541 25.441 ( 10.686 0.673 4.307) 11.541 25.899 ( -2.581 -7.984 -17.845) 19.719 25.899 ( -2.581 -7.984 17.845) 19.719 27.047 ( -6.831 4.237 -3.659) 8.832 27.047 ( -6.831 4.237 3.659) 8.832 27.563 ( -6.070 -9.478 -3.317) 11.734 27.563 ( -6.070 -9.478 3.317) 11.734 28.886 ( -11.109 0.250 -1.763) 11.251 28.886 ( -11.109 0.250 1.763) 11.251 28.935 ( -11.332 -0.437 -0.673) 11.360 28.935 ( -11.332 -0.437 0.673) 11.360 29.800 ( 8.498 2.130 -8.368) 12.115 29.800 ( 8.498 2.130 8.368) 12.115 30.042 ( 14.975 -4.710 -11.570) 19.501 30.042 ( 14.975 -4.710 11.570) 19.501 30.920 ( 7.720 9.507 -6.780) 13.998 30.920 ( 7.720 9.507 6.780) 13.998 31.397 ( 4.097 -3.965 -11.069) 12.451 31.397 ( 4.097 -3.965 11.069) 12.451 35.199 ( -2.773 6.432 -6.788) 9.753 35.199 ( -2.773 6.432 6.788) 9.753 35.377 ( -3.131 7.818 -1.164) 8.502 35.377 ( -3.131 7.818 1.164) 8.502 35.602 ( -3.749 -1.974 -6.642) 7.879 35.602 ( -3.749 -1.974 6.642) 7.879 36.196 ( -10.748 -9.378 -1.002) 14.299 36.196 ( -10.748 -9.378 1.002) 14.299 39.137 ( 6.700 0.522 -6.347) 9.244 39.137 ( 6.700 0.522 6.347) 9.244 39.260 ( 8.399 -1.844 -7.238) 11.240 39.260 ( 8.399 -1.844 7.238) 11.240 39.864 ( 13.752 4.539 -19.548) 24.328 39.864 ( 13.752 4.539 19.548) 24.328 40.015 ( 11.314 1.186 -5.707) 12.727 40.015 ( 11.314 1.186 5.707) 12.727 40.118 ( 10.853 -1.579 -7.164) 13.100 40.118 ( 10.853 -1.579 7.164) 13.100 40.790 ( 16.206 -26.535 -8.256) 32.169 40.790 ( 16.206 -26.535 8.256) 32.169 42.022 ( 0.083 11.556 -20.789) 23.785 42.022 ( 0.083 11.556 20.789) 23.785 42.144 ( -5.213 2.045 -17.638) 18.505 42.144 ( -5.213 2.045 17.638) 18.505 96.942 ( 11.896 0.483 -0.347) 11.911 96.942 ( 11.896 0.483 0.347) 11.911 97.032 ( 19.065 -2.000 -4.597) 19.714 97.032 ( 19.065 -2.000 4.597) 19.714 100.282 ( -4.875 1.579 -2.268) 5.604 100.282 ( -4.875 1.579 2.268) 5.604 100.537 ( -9.020 -5.560 -5.105) 11.761 100.537 ( -9.020 -5.560 5.105) 11.761 ======================= Grid point 136 (45/54) ======================= q-point: ( 0.18 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( 38.679 8.507 -21.544) 45.084 2.990 ( 38.679 8.507 21.544) 45.084 3.502 ( 21.383 -2.829 -9.446) 23.547 3.502 ( 21.383 -2.829 9.446) 23.547 3.670 ( 18.256 5.936 -18.472) 26.641 3.670 ( 18.256 5.936 18.472) 26.641 4.368 ( 8.048 9.659 -3.394) 13.023 4.368 ( 8.048 9.659 3.394) 13.023 4.679 ( 24.315 -1.596 -1.983) 24.448 4.679 ( 24.315 -1.596 1.983) 24.448 5.004 ( 23.169 1.091 -3.928) 23.525 5.004 ( 23.169 1.091 3.928) 23.525 5.473 ( 27.897 -2.955 -1.671) 28.102 5.473 ( 27.897 -2.955 1.671) 28.102 5.666 ( 18.457 -3.378 -4.859) 19.383 5.666 ( 18.457 -3.378 4.859) 19.383 6.053 ( 24.148 -3.084 -11.568) 26.953 6.053 ( 24.148 -3.084 11.568) 26.953 6.390 ( 5.778 2.985 -7.702) 10.081 6.390 ( 5.778 2.985 7.702) 10.081 6.700 ( 4.699 5.533 -12.260) 14.247 6.700 ( 4.699 5.533 12.260) 14.247 7.202 ( 11.828 1.115 -5.722) 13.186 7.202 ( 11.828 1.115 5.722) 13.186 7.459 ( 17.301 -2.039 -4.706) 18.045 7.459 ( 17.301 -2.039 4.706) 18.045 7.966 ( 18.792 -4.441 -4.236) 19.768 7.966 ( 18.792 -4.441 4.236) 19.768 8.070 ( 6.193 -7.858 -5.199) 11.276 8.070 ( 6.193 -7.858 5.199) 11.276 8.323 ( 11.313 -0.619 -6.516) 13.070 8.323 ( 11.313 -0.619 6.516) 13.070 8.487 ( 14.649 -4.871 -10.482) 18.660 8.487 ( 14.649 -4.871 10.482) 18.660 8.796 ( 3.360 -7.751 -4.716) 9.675 8.796 ( 3.360 -7.751 4.716) 9.675 9.015 ( 0.323 -0.235 -1.210) 1.274 9.015 ( 0.323 -0.235 1.210) 1.274 9.468 ( 2.130 4.845 -8.326) 9.865 9.468 ( 2.130 4.845 8.326) 9.865 9.641 ( 5.002 4.096 -3.320) 7.267 9.641 ( 5.002 4.096 3.320) 7.267 10.183 ( 5.909 1.013 -9.630) 11.344 10.183 ( 5.909 1.013 9.630) 11.344 10.574 ( 4.008 -0.753 -14.061) 14.640 10.574 ( 4.008 -0.753 14.061) 14.640 10.911 ( 5.778 -2.432 -2.960) 6.933 10.911 ( 5.778 -2.432 2.960) 6.933 11.330 ( -0.197 2.820 -9.037) 9.468 11.330 ( -0.197 2.820 9.037) 9.468 11.678 ( -2.649 -1.697 -10.607) 11.064 11.678 ( -2.649 -1.697 10.607) 11.064 11.852 ( 4.673 0.670 -5.828) 7.500 11.852 ( 4.673 0.670 5.828) 7.500 12.426 ( 1.301 2.525 -6.954) 7.512 12.426 ( 1.301 2.525 6.954) 7.512 12.572 ( -3.622 0.366 -5.763) 6.816 12.572 ( -3.622 0.366 5.763) 6.816 12.887 ( -11.239 -1.722 -8.739) 14.341 12.887 ( -11.239 -1.722 8.739) 14.341 12.951 ( -4.606 1.483 -1.583) 5.092 12.951 ( -4.606 1.483 1.583) 5.092 13.117 ( -9.941 -1.056 -6.605) 11.981 13.117 ( -9.941 -1.056 6.605) 11.981 14.013 ( -9.564 8.934 -8.135) 15.410 14.013 ( -9.564 8.934 8.135) 15.410 14.291 ( -13.822 2.385 -10.473) 17.505 14.291 ( -13.822 2.385 10.473) 17.505 15.329 ( -30.916 -3.425 -8.766) 32.317 15.329 ( -30.916 -3.425 8.766) 32.317 15.454 ( -31.497 -5.446 -21.633) 38.597 15.454 ( -31.497 -5.446 21.633) 38.597 16.128 ( 13.796 5.463 -4.576) 15.528 16.128 ( 13.796 5.463 4.576) 15.528 16.501 ( 4.841 -1.951 -7.898) 9.467 16.501 ( 4.841 -1.951 7.898) 9.467 17.384 ( -31.355 1.512 -14.453) 34.558 17.384 ( -31.355 1.512 14.453) 34.558 17.517 ( -32.927 -1.521 -7.655) 33.839 17.517 ( -32.927 -1.521 7.655) 33.839 18.947 ( 5.994 -0.089 -5.370) 8.049 18.947 ( 5.994 -0.089 5.370) 8.049 19.160 ( -0.318 -5.113 -3.264) 6.075 19.160 ( -0.318 -5.113 3.264) 6.075 19.235 ( 4.489 0.948 -2.130) 5.058 19.235 ( 4.489 0.948 2.130) 5.058 19.417 ( 5.131 -1.620 -6.374) 8.341 19.417 ( 5.131 -1.620 6.374) 8.341 19.735 ( 1.192 -1.209 -4.297) 4.621 19.735 ( 1.192 -1.209 4.297) 4.621 19.990 ( -1.136 -1.491 -3.688) 4.137 19.990 ( -1.136 -1.491 3.688) 4.137 20.060 ( 0.481 2.195 -3.852) 4.459 20.060 ( 0.481 2.195 3.852) 4.459 20.509 ( 3.530 -3.655 -8.213) 9.658 20.509 ( 3.530 -3.655 8.213) 9.658 20.997 ( -4.958 1.032 -0.598) 5.100 20.997 ( -4.958 1.032 0.598) 5.100 21.127 ( -4.418 -1.487 -2.545) 5.311 21.127 ( -4.418 -1.487 2.545) 5.311 21.431 ( -5.669 5.964 -0.271) 8.233 21.431 ( -5.669 5.964 0.271) 8.233 21.800 ( -9.615 -0.570 -5.219) 10.955 21.800 ( -9.615 -0.570 5.219) 10.955 22.026 ( 7.923 -0.009 -2.195) 8.221 22.026 ( 7.923 -0.009 2.195) 8.221 22.077 ( -3.053 -3.419 -1.043) 4.701 22.077 ( -3.053 -3.419 1.043) 4.701 22.333 ( -2.134 3.051 -4.999) 6.233 22.333 ( -2.134 3.051 4.999) 6.233 22.563 ( -5.724 -2.056 -7.545) 9.691 22.563 ( -5.724 -2.056 7.545) 9.691 22.624 ( -8.296 6.659 -2.442) 10.914 22.624 ( -8.296 6.659 2.442) 10.914 23.113 ( -3.835 -2.691 -2.905) 5.513 23.113 ( -3.835 -2.691 2.905) 5.513 23.285 ( -2.620 7.339 -1.409) 7.919 23.285 ( -2.620 7.339 1.409) 7.919 23.347 ( -3.446 3.092 -6.488) 7.971 23.347 ( -3.446 3.092 6.488) 7.971 23.561 ( -8.680 -3.212 -7.666) 12.018 23.561 ( -8.680 -3.212 7.666) 12.018 23.685 ( 3.363 -1.121 -7.531) 8.323 23.685 ( 3.363 -1.121 7.531) 8.323 23.918 ( -7.232 2.315 -5.638) 9.457 23.918 ( -7.232 2.315 5.638) 9.457 24.061 ( -3.918 6.041 -1.172) 7.295 24.061 ( -3.918 6.041 1.172) 7.295 24.156 ( 0.678 1.061 -5.911) 6.044 24.156 ( 0.678 1.061 5.911) 6.044 24.495 ( 3.755 0.518 -0.988) 3.918 24.495 ( 3.755 0.518 0.988) 3.918 24.673 ( 9.792 -2.708 -2.154) 10.386 24.673 ( 9.792 -2.708 2.154) 10.386 24.870 ( 4.788 -3.328 -1.347) 5.985 24.870 ( 4.788 -3.328 1.347) 5.985 25.125 ( 9.642 0.329 -3.442) 10.243 25.125 ( 9.642 0.329 3.442) 10.243 25.331 ( 11.313 -2.686 -3.678) 12.195 25.331 ( 11.313 -2.686 3.678) 12.195 25.622 ( 6.646 1.912 -3.044) 7.556 25.622 ( 6.646 1.912 3.044) 7.556 25.869 ( 0.812 -2.120 -9.541) 9.808 25.869 ( 0.812 -2.120 9.541) 9.808 26.951 ( -2.154 2.845 -4.147) 5.471 26.951 ( -2.154 2.845 4.147) 5.471 27.370 ( -11.550 -6.435 -0.477) 13.230 27.370 ( -11.550 -6.435 0.477) 13.230 28.572 ( -18.799 0.671 -0.686) 18.823 28.572 ( -18.799 0.671 0.686) 18.823 28.628 ( -18.161 -0.681 -0.867) 18.194 28.628 ( -18.161 -0.681 0.867) 18.194 30.038 ( 14.116 2.433 -8.676) 16.747 30.038 ( 14.116 2.433 8.676) 16.747 30.449 ( 23.075 -9.536 -9.075) 26.566 30.449 ( 23.075 -9.536 9.075) 26.566 31.105 ( 9.091 7.455 -4.251) 12.502 31.105 ( 9.091 7.455 4.251) 12.502 31.507 ( 6.420 -4.052 -11.793) 14.026 31.507 ( 6.420 -4.052 11.793) 14.026 35.140 ( -2.733 5.548 -5.237) 8.104 35.140 ( -2.733 5.548 5.237) 8.104 35.292 ( -4.776 7.539 -1.356) 9.027 35.292 ( -4.776 7.539 1.356) 9.027 35.520 ( -3.735 -2.324 -5.690) 7.192 35.520 ( -3.735 -2.324 5.690) 7.192 35.976 ( -9.924 -6.633 -2.019) 12.106 35.976 ( -9.924 -6.633 2.019) 12.106 39.323 ( 10.784 0.291 -5.743) 12.222 39.323 ( 10.784 0.291 5.743) 12.222 39.425 ( 8.206 -1.909 -8.488) 11.960 39.425 ( 8.206 -1.909 8.488) 11.960 40.203 ( 15.007 2.942 -8.885) 17.686 40.203 ( 15.007 2.942 8.885) 17.686 40.344 ( 20.262 4.148 -12.390) 24.109 40.344 ( 20.262 4.148 12.390) 24.109 40.399 ( 15.698 -0.869 -10.225) 18.755 40.399 ( 15.698 -0.869 10.225) 18.755 41.105 ( 13.704 -14.370 -5.235) 20.535 41.105 ( 13.704 -14.370 5.235) 20.535 41.927 ( -9.029 3.318 -13.056) 16.216 41.927 ( -9.029 3.318 13.056) 16.216 42.119 ( 3.175 -0.187 -17.699) 17.982 42.119 ( 3.175 -0.187 17.699) 17.982 97.278 ( 20.074 1.447 -0.842) 20.144 97.278 ( 20.074 1.447 0.842) 20.144 97.484 ( 23.326 -3.623 -7.806) 24.863 97.484 ( 23.326 -3.623 7.806) 24.863 100.134 ( -9.448 1.317 -1.830) 9.713 100.134 ( -9.448 1.317 1.830) 9.713 100.305 ( -12.925 -2.956 -5.116) 14.212 100.305 ( -12.925 -2.956 5.116) 14.212 ======================= Grid point 138 (46/54) ======================= q-point: ( 0.27 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.701 ( 27.615 5.947 -16.519) 32.724 3.701 ( 27.615 5.947 16.519) 32.724 3.932 ( 20.847 5.266 -11.199) 24.244 3.932 ( 20.847 5.266 11.199) 24.244 4.056 ( 17.765 8.455 -15.020) 24.752 4.056 ( 17.765 8.455 15.020) 24.752 4.491 ( 7.853 4.751 -5.516) 10.708 4.491 ( 7.853 4.751 5.516) 10.708 5.000 ( 9.405 -3.411 -2.719) 10.367 5.000 ( 9.405 -3.411 2.719) 10.367 5.294 ( 11.217 -5.337 -7.887) 14.714 5.294 ( 11.217 -5.337 7.887) 14.714 5.868 ( 8.477 6.080 -6.754) 12.427 5.868 ( 8.477 6.080 6.754) 12.427 6.006 ( 8.751 0.828 -10.755) 13.890 6.006 ( 8.751 0.828 10.755) 13.890 6.438 ( 15.526 0.699 -5.356) 16.438 6.438 ( 15.526 0.699 5.356) 16.438 6.700 ( 13.256 -6.059 -8.289) 16.767 6.700 ( 13.256 -6.059 8.289) 16.767 6.934 ( 21.855 4.390 -2.542) 22.436 6.934 ( 21.855 4.390 2.542) 22.436 7.471 ( 9.288 -3.669 -6.103) 11.704 7.471 ( 9.288 -3.669 6.103) 11.704 7.831 ( 17.610 -11.690 -5.071) 21.737 7.831 ( 17.610 -11.690 5.071) 21.737 8.144 ( 7.474 -6.390 -1.007) 9.885 8.144 ( 7.474 -6.390 1.007) 9.885 8.338 ( 7.673 -9.236 -7.964) 14.408 8.338 ( 7.673 -9.236 7.964) 14.408 8.581 ( 15.005 2.761 -10.744) 18.660 8.581 ( 15.005 2.761 10.744) 18.661 8.769 ( 1.066 1.878 -3.441) 4.063 8.769 ( 1.066 1.878 3.441) 4.063 8.998 ( 25.882 -0.950 -5.747) 26.529 8.998 ( 25.882 -0.950 5.747) 26.529 9.251 ( 17.631 -3.742 -4.685) 18.623 9.251 ( 17.631 -3.742 4.685) 18.623 9.558 ( 7.401 -0.671 -6.468) 9.852 9.558 ( 7.401 -0.671 6.468) 9.852 9.851 ( 20.006 10.883 -10.625) 25.131 9.851 ( 20.006 10.883 10.625) 25.131 10.295 ( 6.362 8.225 -15.284) 18.486 10.295 ( 6.362 8.225 15.284) 18.486 10.703 ( 8.177 0.642 -14.825) 16.942 10.703 ( 8.177 0.642 14.825) 16.942 11.042 ( 6.276 -9.836 -7.147) 13.682 11.042 ( 6.276 -9.836 7.147) 13.682 11.350 ( 1.106 6.748 -4.989) 8.464 11.350 ( 1.106 6.748 4.989) 8.464 11.581 ( -4.329 -0.163 -3.749) 5.729 11.581 ( -4.330 -0.163 3.749) 5.729 11.959 ( 1.667 -3.599 -5.708) 6.951 11.959 ( 1.667 -3.599 5.708) 6.951 12.270 ( -13.861 2.588 -5.572) 15.162 12.270 ( -13.861 2.588 5.572) 15.162 12.484 ( -11.261 -4.468 -1.604) 12.220 12.484 ( -11.261 -4.468 1.604) 12.220 12.628 ( -3.479 -4.207 -5.348) 7.642 12.628 ( -3.479 -4.207 5.348) 7.642 12.897 ( -5.529 5.677 -7.224) 10.723 12.897 ( -5.529 5.677 7.224) 10.723 13.040 ( 5.061 1.760 -14.551) 15.506 13.040 ( 5.061 1.760 14.551) 15.506 13.847 ( -10.176 7.507 -15.456) 19.970 13.847 ( -10.176 7.507 15.456) 19.970 14.022 ( -10.188 3.387 -4.714) 11.726 14.022 ( -10.188 3.387 4.714) 11.726 14.721 ( -28.409 -4.754 -13.352) 31.748 14.721 ( -28.409 -4.754 13.352) 31.748 14.835 ( -18.676 -3.580 -7.256) 20.353 14.835 ( -18.676 -3.580 7.256) 20.353 16.290 ( -12.884 4.036 -16.639) 21.428 16.290 ( -12.884 4.036 16.639) 21.428 16.497 ( -6.135 -0.233 -15.775) 16.927 16.497 ( -6.135 -0.233 15.775) 16.927 16.802 ( -23.420 1.954 -5.284) 24.088 16.802 ( -23.420 1.954 5.284) 24.088 17.010 ( -4.959 -0.383 -17.125) 17.833 17.010 ( -4.959 -0.383 17.125) 17.833 18.936 ( -9.235 -4.835 -4.629) 11.405 18.936 ( -9.235 -4.835 4.629) 11.405 19.074 ( -5.660 -5.782 -8.926) 12.047 19.074 ( -5.660 -5.782 8.926) 12.047 19.320 ( 0.865 2.194 -3.875) 4.537 19.320 ( 0.865 2.194 3.875) 4.537 19.401 ( -6.994 -0.057 -3.841) 7.979 19.401 ( -6.994 -0.057 3.841) 7.979 19.745 ( 1.825 0.180 -2.268) 2.917 19.745 ( 1.825 0.180 2.268) 2.917 19.957 ( -1.794 -6.234 -0.953) 6.557 19.957 ( -1.794 -6.234 0.953) 6.557 20.084 ( 1.712 5.446 -4.471) 7.251 20.084 ( 1.712 5.446 4.471) 7.251 20.540 ( -1.684 -5.801 -7.836) 9.893 20.540 ( -1.684 -5.801 7.836) 9.893 20.915 ( -1.726 2.327 -2.193) 3.633 20.915 ( -1.726 2.327 2.193) 3.633 21.047 ( -3.019 -0.327 -2.404) 3.873 21.047 ( -3.019 -0.327 2.404) 3.873 21.263 ( -10.243 3.824 -2.169) 11.146 21.263 ( -10.243 3.824 2.169) 11.146 21.501 ( -13.291 0.007 -5.799) 14.501 21.501 ( -13.291 0.007 5.799) 14.501 22.087 ( 3.518 0.987 -2.679) 4.531 22.087 ( 3.518 0.987 2.679) 4.531 22.201 ( 2.021 3.102 -2.149) 4.281 22.201 ( 2.021 3.102 2.149) 4.281 22.307 ( -1.429 0.767 -2.069) 2.629 22.307 ( -1.429 0.767 2.069) 2.629 22.525 ( 5.417 -0.585 -2.144) 5.855 22.525 ( 5.417 -0.585 2.144) 5.855 22.667 ( 10.854 1.667 -5.395) 12.235 22.667 ( 10.854 1.667 5.395) 12.235 23.015 ( -5.518 -2.964 -0.994) 6.342 23.015 ( -5.518 -2.964 0.994) 6.342 23.183 ( -8.090 -0.797 -3.484) 8.844 23.183 ( -8.090 -0.797 3.484) 8.844 23.234 ( -8.626 1.002 -5.271) 10.158 23.234 ( -8.626 1.002 5.271) 10.158 23.389 ( -2.213 4.869 -3.493) 6.388 23.389 ( -2.213 4.869 3.493) 6.388 23.674 ( -3.295 -5.394 -2.671) 6.862 23.674 ( -3.295 -5.394 2.671) 6.862 23.806 ( -2.347 1.021 -4.186) 4.906 23.806 ( -2.347 1.021 4.186) 4.906 23.903 ( -7.782 0.994 -1.565) 7.999 23.903 ( -7.782 0.994 1.565) 7.999 24.265 ( 5.164 10.830 -9.505) 15.307 24.265 ( 5.164 10.830 9.505) 15.307 24.636 ( 8.241 0.831 -0.969) 8.339 24.636 ( 8.241 0.831 0.969) 8.339 24.859 ( 7.667 -3.752 -3.052) 9.065 24.859 ( 7.667 -3.752 3.052) 9.065 25.001 ( 7.468 -1.918 -3.013) 8.278 25.001 ( 7.468 -1.918 3.013) 8.278 25.235 ( 1.555 0.495 -4.336) 4.633 25.235 ( 1.555 0.495 4.336) 4.633 25.517 ( 6.879 -4.414 -2.341) 8.502 25.517 ( 6.879 -4.414 2.341) 8.502 25.745 ( 6.215 3.331 -1.418) 7.192 25.745 ( 6.215 3.331 1.418) 7.192 25.934 ( 4.114 -0.960 -3.511) 5.493 25.934 ( 4.114 -0.960 3.511) 5.493 26.930 ( -0.710 1.026 -3.264) 3.494 26.930 ( -0.710 1.026 3.264) 3.494 27.144 ( -9.376 -3.423 -1.154) 10.047 27.144 ( -9.376 -3.423 1.154) 10.047 28.136 ( -23.226 0.833 -1.391) 23.283 28.136 ( -23.226 0.833 1.391) 23.283 28.202 ( -22.934 -0.768 -1.718) 23.011 28.202 ( -22.934 -0.768 1.718) 23.011 30.359 ( 16.628 3.921 -6.286) 18.204 30.359 ( 16.628 3.921 6.286) 18.204 30.920 ( 21.270 -10.429 -5.012) 24.214 30.920 ( 21.270 -10.429 5.012) 24.214 31.257 ( 5.516 5.307 -3.183) 8.290 31.257 ( 5.516 5.307 3.183) 8.290 31.647 ( 6.628 -4.923 -8.484) 11.839 31.647 ( 6.628 -4.923 8.484) 11.839 35.090 ( -2.132 4.886 -3.821) 6.559 35.090 ( -2.132 4.886 3.821) 6.559 35.195 ( -4.369 7.573 -1.320) 8.842 35.195 ( -4.369 7.573 1.320) 8.842 35.463 ( -1.651 -2.768 -4.975) 5.928 35.463 ( -1.651 -2.768 4.975) 5.928 35.798 ( -7.400 -5.386 -2.963) 9.620 35.798 ( -7.400 -5.386 2.963) 9.620 39.561 ( 11.859 0.104 -4.705) 12.759 39.561 ( 11.859 0.104 4.705) 12.759 39.617 ( 10.870 -1.163 -5.154) 12.086 39.617 ( 10.870 -1.163 5.154) 12.086 40.399 ( 3.770 2.943 -13.732) 14.541 40.399 ( 3.770 2.943 13.732) 14.541 40.634 ( 7.851 -2.516 -10.460) 13.318 40.634 ( 7.851 -2.516 10.460) 13.318 40.830 ( 22.617 5.695 -9.390) 25.143 40.830 ( 22.617 5.695 9.390) 25.143 41.390 ( 14.838 -6.971 -7.694) 18.109 41.390 ( 14.838 -6.971 7.694) 18.109 41.756 ( -6.029 4.572 -5.937) 9.617 41.756 ( -6.029 4.572 5.937) 9.617 42.195 ( 3.257 -5.570 -11.894) 13.531 42.195 ( 3.257 -5.570 11.894) 13.531 97.736 ( 23.898 1.922 -1.001) 23.996 97.736 ( 23.898 1.922 1.001) 23.996 97.961 ( 23.016 -3.274 -6.515) 24.143 97.961 ( 23.016 -3.274 6.515) 24.143 99.897 ( -13.614 1.113 -1.277) 13.719 99.897 ( -13.614 1.113 1.277) 13.719 100.017 ( -15.194 -1.669 -3.509) 15.683 100.017 ( -15.194 -1.669 3.509) 15.683 ======================= Grid point 140 (47/54) ======================= q-point: ( 0.36 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.094 ( 12.736 6.056 -7.188) 15.829 4.094 ( 12.736 6.056 7.188) 15.829 4.282 ( 13.102 4.054 -6.026) 14.980 4.282 ( 13.102 4.054 6.026) 14.980 4.426 ( 16.595 10.939 -7.192) 21.138 4.426 ( 16.595 10.939 7.192) 21.138 4.640 ( 3.124 1.404 -6.247) 7.124 4.640 ( 3.124 1.404 6.247) 7.124 5.177 ( 11.511 2.988 -11.667) 16.660 5.177 ( 11.511 2.988 11.667) 16.660 5.555 ( 11.480 -4.079 -8.440) 14.822 5.555 ( 11.480 -4.079 8.441) 14.822 5.925 ( -0.763 4.229 -1.520) 4.558 5.925 ( -0.763 4.229 1.520) 4.558 6.151 ( 8.810 -0.845 -3.389) 9.477 6.151 ( 8.810 -0.845 3.389) 9.477 6.586 ( -1.272 5.814 -2.159) 6.330 6.586 ( -1.272 5.814 2.159) 6.330 6.803 ( -1.117 -7.572 -4.442) 8.849 6.803 ( -1.117 -7.572 4.442) 8.849 7.392 ( 12.747 -2.337 -5.418) 14.047 7.392 ( 12.747 -2.337 5.418) 14.047 7.734 ( 22.791 -7.472 -6.049) 24.736 7.734 ( 22.791 -7.472 6.049) 24.736 8.097 ( 6.133 -13.161 -2.686) 14.766 8.097 ( 6.133 -13.161 2.686) 14.766 8.235 ( 3.393 -17.078 -2.542) 17.596 8.235 ( 3.393 -17.078 2.542) 17.596 8.571 ( 16.025 0.927 -3.544) 16.439 8.571 ( 16.025 0.927 3.544) 16.439 8.727 ( -0.223 5.337 -0.719) 5.390 8.727 ( -0.223 5.337 0.719) 5.390 8.870 ( 10.569 4.294 -8.235) 14.070 8.870 ( 10.569 4.294 8.235) 14.070 9.383 ( 7.653 3.183 -9.262) 12.429 9.383 ( 7.653 3.183 9.262) 12.429 9.488 ( 8.277 0.226 -6.603) 10.590 9.488 ( 8.277 0.226 6.603) 10.590 9.701 ( 2.458 -11.702 -8.093) 14.438 9.701 ( 2.458 -11.702 8.093) 14.438 10.416 ( 20.204 6.981 -10.034) 23.614 10.416 ( 20.204 6.981 10.034) 23.614 10.505 ( 16.082 14.342 -7.109) 22.690 10.505 ( 16.082 14.342 7.109) 22.690 10.867 ( 7.544 3.806 -11.638) 14.382 10.867 ( 7.544 3.806 11.638) 14.382 11.115 ( -1.224 1.980 -3.280) 4.022 11.115 ( -1.224 1.980 3.280) 4.022 11.374 ( 3.407 7.127 -3.763) 8.750 11.374 ( 3.407 7.127 3.763) 8.750 11.521 ( -6.082 -2.793 -5.254) 8.508 11.521 ( -6.082 -2.793 5.254) 8.508 11.833 ( -18.394 -5.261 -6.432) 20.184 11.833 ( -18.394 -5.261 6.432) 20.184 11.966 ( -1.022 -0.117 -2.348) 2.564 11.966 ( -1.022 -0.117 2.348) 2.564 12.407 ( 1.346 -3.005 -3.460) 4.777 12.407 ( 1.346 -3.005 3.460) 4.777 12.565 ( 2.108 -9.776 -3.266) 10.520 12.565 ( 2.108 -9.776 3.266) 10.520 12.930 ( 3.375 1.180 -0.422) 3.600 12.930 ( 3.375 1.180 0.422) 3.600 13.085 ( -1.874 2.290 -12.635) 12.977 13.085 ( -1.874 2.290 12.635) 12.977 13.637 ( -3.448 3.038 -12.219) 13.054 13.637 ( -3.448 3.038 12.219) 13.054 13.925 ( -1.156 4.431 -5.158) 6.897 13.925 ( -1.156 4.431 5.158) 6.897 14.286 ( -11.740 1.870 -14.499) 18.750 14.286 ( -11.740 1.870 14.499) 18.750 14.703 ( -1.881 -4.884 -17.110) 17.893 14.703 ( -1.881 -4.884 17.110) 17.893 15.845 ( -17.336 2.305 -18.915) 25.761 15.845 ( -17.336 2.305 18.915) 25.761 16.010 ( -21.339 -1.744 -5.464) 22.096 16.010 ( -21.339 -1.744 5.464) 22.096 16.693 ( -11.132 6.568 -21.492) 25.079 16.693 ( -11.132 6.568 21.492) 25.079 17.073 ( 7.036 -0.742 -22.109) 23.214 17.073 ( 7.036 -0.742 22.109) 23.214 18.556 ( -24.702 -3.852 -8.289) 26.339 18.556 ( -24.702 -3.852 8.289) 26.339 18.912 ( -16.165 6.486 -2.874) 17.653 18.912 ( -16.165 6.486 2.874) 17.653 19.132 ( -0.969 -6.577 -3.965) 7.741 19.132 ( -0.969 -6.577 3.965) 7.741 19.438 ( 3.600 -3.550 -3.591) 6.201 19.438 ( 3.600 -3.550 3.591) 6.201 19.790 ( 0.900 -0.181 -3.016) 3.153 19.790 ( 0.900 -0.181 3.016) 3.153 19.955 ( 2.570 -4.279 -0.511) 5.017 19.955 ( 2.570 -4.279 0.511) 5.017 20.101 ( -0.634 1.717 -2.307) 2.944 20.101 ( -0.634 1.717 2.307) 2.944 20.396 ( -11.829 -6.049 -5.531) 14.391 20.396 ( -11.829 -6.049 5.531) 14.391 20.922 ( 1.568 0.960 -2.849) 3.391 20.922 ( 1.568 0.960 2.849) 3.391 21.009 ( -0.988 -0.591 -4.064) 4.224 21.009 ( -0.988 -0.591 4.064) 4.224 21.131 ( -0.795 4.556 -3.438) 5.762 21.131 ( -0.795 4.556 3.438) 5.762 21.342 ( -3.598 -0.526 -2.343) 4.326 21.342 ( -3.598 -0.526 2.343) 4.326 22.098 ( -0.642 1.667 -2.483) 3.059 22.098 ( -0.642 1.667 2.483) 3.059 22.195 ( -1.117 1.497 -1.992) 2.731 22.195 ( -1.117 1.497 1.992) 2.731 22.283 ( -0.274 4.276 -1.604) 4.575 22.283 ( -0.274 4.276 1.604) 4.575 22.702 ( 4.752 -4.455 -4.034) 7.662 22.702 ( 4.752 -4.455 4.034) 7.662 22.823 ( 0.001 0.110 -0.877) 0.883 22.823 ( 0.001 0.110 0.877) 0.883 22.896 ( -6.082 -1.145 -2.270) 6.592 22.896 ( -6.082 -1.145 2.270) 6.592 22.990 ( -5.133 1.994 -1.804) 5.795 22.990 ( -5.133 1.994 1.804) 5.795 23.094 ( -5.034 0.292 -3.694) 6.251 23.094 ( -5.034 0.292 3.694) 6.251 23.421 ( 4.280 2.490 -5.193) 7.176 23.421 ( 4.280 2.490 5.193) 7.176 23.687 ( 1.555 2.912 -5.414) 6.341 23.687 ( 1.555 2.912 5.414) 6.341 23.791 ( 4.550 -8.045 -2.183) 9.497 23.791 ( 4.550 -8.045 2.183) 9.497 23.843 ( 1.060 0.802 -11.729) 11.804 23.843 ( 1.060 0.802 11.729) 11.804 24.352 ( 6.045 12.843 -7.545) 16.075 24.352 ( 6.045 12.843 7.545) 16.075 24.810 ( 8.856 -0.594 -2.044) 9.108 24.810 ( 8.856 -0.594 2.044) 9.108 24.981 ( 3.163 -1.863 -3.281) 4.924 24.981 ( 3.163 -1.863 3.281) 4.924 25.120 ( 3.432 -0.534 -2.116) 4.067 25.120 ( 3.432 -0.534 2.116) 4.067 25.240 ( -0.007 2.081 -7.002) 7.305 25.240 ( -0.007 2.081 7.002) 7.305 25.604 ( 1.730 -3.851 -2.329) 4.822 25.604 ( 1.730 -3.851 2.329) 4.822 25.876 ( 4.198 0.059 -1.636) 4.506 25.876 ( 4.198 0.059 1.636) 4.506 25.985 ( 1.312 -1.793 -2.614) 3.431 25.985 ( 1.312 -1.793 2.614) 3.431 26.916 ( 0.096 0.517 -5.001) 5.029 26.916 ( 0.096 0.517 5.001) 5.029 27.016 ( -2.597 -1.593 -3.409) 4.572 27.016 ( -2.597 -1.593 3.409) 4.572 27.647 ( -23.410 0.866 -3.055) 23.624 27.647 ( -23.410 0.866 3.055) 23.624 27.718 ( -23.149 -0.726 -1.610) 23.216 27.718 ( -23.149 -0.726 1.610) 23.216 30.697 ( 15.699 5.290 -2.258) 16.719 30.697 ( 15.699 5.290 2.258) 16.719 31.216 ( 3.802 0.792 -3.370) 5.142 31.216 ( 3.802 0.792 3.370) 5.142 31.399 ( 11.681 -5.725 -5.508) 14.126 31.399 ( 11.681 -5.725 5.508) 14.126 31.753 ( 3.086 -6.454 -4.098) 8.244 31.753 ( 3.086 -6.454 4.098) 8.244 35.052 ( -1.419 5.000 -2.526) 5.778 35.052 ( -1.419 5.000 2.526) 5.778 35.118 ( -3.211 7.368 -0.686) 8.067 35.118 ( -3.211 7.368 0.686) 8.067 35.457 ( 1.109 -3.299 -3.524) 4.953 35.457 ( 1.109 -3.299 3.524) 4.953 35.669 ( -5.253 -4.763 -2.214) 7.429 35.669 ( -5.253 -4.763 2.214) 7.429 39.794 ( 11.080 0.594 -2.802) 11.444 39.794 ( 11.080 0.594 2.802) 11.444 39.874 ( 13.584 -1.309 -1.114) 13.692 39.874 ( 13.584 -1.309 1.114) 13.692 40.381 ( -4.430 3.264 -10.668) 12.003 40.381 ( -4.430 3.264 10.668) 12.003 40.654 ( -5.525 -3.205 -12.925) 14.417 40.654 ( -5.525 -3.205 12.925) 14.417 41.248 ( 17.502 5.024 -6.018) 19.177 41.248 ( 17.502 5.024 6.018) 19.177 41.651 ( 4.751 1.123 -4.103) 6.377 41.651 ( 4.751 1.123 4.103) 6.377 41.757 ( 10.230 -0.345 -5.916) 11.822 41.757 ( 10.230 -0.345 5.916) 11.822 42.229 ( -0.248 -6.115 -5.771) 8.412 42.229 ( -0.248 -6.115 5.771) 8.412 98.238 ( 24.567 1.830 -0.793) 24.648 98.238 ( 24.567 1.830 0.793) 24.648 98.427 ( 22.359 -2.435 -4.229) 22.885 98.427 ( 22.359 -2.435 4.229) 22.885 99.578 ( -17.398 1.063 -0.767) 17.447 99.578 ( -17.398 1.063 0.767) 17.447 99.681 ( -17.506 -1.270 -1.541) 17.619 99.681 ( -17.506 -1.270 1.541) 17.619 ======================= Grid point 142 (48/54) ======================= q-point: ( 0.45 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.308 ( 9.097 6.209 -3.584) 11.582 4.308 ( 9.097 6.209 3.584) 11.582 4.441 ( -0.985 5.057 -3.575) 6.271 4.441 ( -0.985 5.057 3.575) 6.271 4.622 ( 4.587 1.358 -3.829) 6.127 4.622 ( 4.587 1.358 3.829) 6.127 4.672 ( 1.535 6.485 -0.541) 6.686 4.672 ( 1.535 6.485 0.541) 6.686 5.440 ( 12.120 5.757 -11.146) 17.443 5.440 ( 12.120 5.757 11.146) 17.443 5.633 ( -5.256 5.780 -8.863) 11.815 5.633 ( -5.256 5.780 8.863) 11.815 6.026 ( 12.399 0.115 -3.681) 12.934 6.026 ( 12.399 0.115 3.681) 12.934 6.260 ( -4.271 -2.286 -5.775) 7.537 6.260 ( -4.271 -2.286 5.775) 7.537 6.531 ( 2.271 4.481 -7.971) 9.422 6.531 ( 2.271 4.481 7.971) 9.422 6.681 ( -8.720 -5.653 -11.160) 15.249 6.681 ( -8.720 -5.653 11.160) 15.249 7.644 ( 13.217 -11.140 -11.518) 20.772 7.644 ( 13.217 -11.140 11.518) 20.772 7.890 ( -8.962 -19.750 -6.960) 22.778 7.890 ( -8.962 -19.750 6.960) 22.778 8.231 ( 11.090 -6.990 -6.729) 14.735 8.231 ( 11.090 -6.990 6.729) 14.735 8.387 ( -0.536 -7.295 -3.420) 8.075 8.387 ( -0.536 -7.295 3.420) 8.075 8.750 ( 11.456 7.192 -2.745) 13.802 8.750 ( 11.456 7.192 2.745) 13.802 8.892 ( 3.514 1.702 -2.866) 4.844 8.892 ( 3.514 1.702 2.866) 4.844 9.090 ( 15.235 0.935 -7.780) 17.132 9.090 ( 15.235 0.935 7.780) 17.132 9.395 ( -7.919 -0.813 -14.614) 16.641 9.395 ( -7.919 -0.813 14.614) 16.641 9.597 ( 2.862 -0.663 -2.476) 3.842 9.597 ( 2.862 -0.663 2.476) 3.842 9.662 ( -3.736 -5.371 -2.626) 7.050 9.662 ( -3.736 -5.371 2.626) 7.050 10.569 ( 5.862 7.811 -5.139) 11.036 10.569 ( 5.862 7.811 5.139) 11.036 10.757 ( 2.504 10.641 -6.344) 12.639 10.757 ( 2.504 10.641 6.344) 12.639 10.928 ( -7.397 4.201 -1.876) 8.711 10.928 ( -7.397 4.201 1.876) 8.711 11.110 ( 0.294 10.195 -7.168) 12.467 11.110 ( 0.294 10.195 7.168) 12.467 11.221 ( -1.121 2.351 -3.707) 4.531 11.221 ( -1.121 2.351 3.707) 4.531 11.452 ( -11.221 1.514 -4.869) 12.326 11.452 ( -11.221 1.514 4.869) 12.326 11.697 ( 13.051 -0.491 -5.906) 14.333 11.697 ( 13.051 -0.491 5.906) 14.333 11.937 ( -8.401 -3.387 -1.880) 9.251 11.937 ( -8.401 -3.387 1.880) 9.251 12.511 ( 8.483 -2.392 -9.510) 12.966 12.511 ( 8.483 -2.392 9.510) 12.966 12.691 ( -4.410 -3.649 -13.492) 14.656 12.691 ( -4.410 -3.649 13.492) 14.656 12.894 ( 9.471 -12.046 -5.314) 16.219 12.894 ( 9.471 -12.046 5.314) 16.219 13.100 ( -3.579 -8.975 -4.903) 10.835 13.100 ( -3.579 -8.975 4.903) 10.835 13.753 ( 12.661 8.057 -8.018) 17.015 13.753 ( 12.661 8.057 8.018) 17.015 13.955 ( 1.464 6.878 -6.984) 9.910 13.955 ( 1.464 6.878 6.984) 9.910 14.161 ( -0.783 2.912 -11.528) 11.916 14.161 ( -0.783 2.912 11.528) 11.916 14.454 ( -20.525 -1.886 -5.512) 21.336 14.454 ( -20.525 -1.886 5.512) 21.336 15.719 ( 10.600 4.435 -10.163) 15.340 15.719 ( 10.600 4.435 10.163) 15.340 16.128 ( 6.248 -0.196 -7.383) 9.674 16.128 ( 6.248 -0.196 7.383) 9.674 16.277 ( -3.392 2.495 -10.265) 11.095 16.277 ( -3.392 2.495 10.265) 11.095 16.925 ( -27.821 -8.006 -14.514) 32.384 16.925 ( -27.821 -8.006 14.514) 32.384 18.257 ( 2.959 8.601 -3.423) 9.718 18.257 ( 2.959 8.601 3.423) 9.718 18.530 ( -18.371 10.974 -4.714) 21.912 18.530 ( -18.371 10.974 4.714) 21.912 19.283 ( 11.155 -12.984 -6.657) 18.366 19.283 ( 11.155 -12.984 6.657) 18.366 19.454 ( -3.597 -10.457 -5.960) 12.562 19.454 ( -3.597 -10.457 5.960) 12.562 19.823 ( 4.617 1.669 -4.527) 6.678 19.823 ( 4.617 1.669 4.527) 6.678 19.988 ( -6.969 -3.169 -4.883) 9.081 19.988 ( -6.969 -3.169 4.883) 9.081 20.064 ( 2.297 -1.194 -0.696) 2.680 20.064 ( 2.297 -1.194 0.696) 2.680 20.164 ( -7.430 -3.168 -2.425) 8.433 20.164 ( -7.430 -3.168 2.425) 8.433 20.961 ( 1.986 0.392 -2.787) 3.444 20.961 ( 1.986 0.392 2.787) 3.444 20.992 ( -0.976 -0.213 -1.464) 1.772 20.992 ( -0.976 -0.213 1.464) 1.772 21.188 ( 4.542 3.064 -1.898) 5.799 21.188 ( 4.542 3.064 1.898) 5.799 21.278 ( -3.722 0.477 -1.457) 4.025 21.278 ( -3.722 0.477 1.457) 4.025 22.111 ( 2.232 2.886 -1.799) 4.068 22.111 ( 2.232 2.886 1.799) 4.068 22.170 ( -2.440 3.034 -0.652) 3.948 22.170 ( -2.440 3.034 0.652) 3.948 22.332 ( 6.616 0.879 -2.675) 7.191 22.332 ( 6.616 0.879 2.675) 7.191 22.541 ( -12.491 -2.540 -0.575) 12.760 22.541 ( -12.491 -2.540 0.575) 12.760 22.814 ( 0.607 -0.625 -0.200) 0.894 22.814 ( 0.607 -0.625 0.200) 0.894 22.852 ( -2.085 -1.598 -2.143) 3.390 22.852 ( -2.085 -1.598 2.143) 3.390 22.944 ( 0.151 1.090 -2.013) 2.294 22.944 ( 0.151 1.090 2.013) 2.294 22.994 ( -4.284 -0.301 -1.289) 4.484 22.994 ( -4.284 -0.301 1.289) 4.484 23.588 ( 9.724 3.222 -5.313) 11.540 23.588 ( 9.724 3.222 5.313) 11.540 23.715 ( -0.751 4.128 -5.684) 7.065 23.715 ( -0.751 4.128 5.684) 7.065 23.813 ( 1.411 1.712 -5.939) 6.340 23.813 ( 1.411 1.712 5.939) 6.340 23.885 ( -2.272 -3.134 -3.305) 5.090 23.885 ( -2.272 -3.134 3.305) 5.090 24.622 ( 17.752 4.862 -4.916) 19.051 24.622 ( 17.752 4.862 4.916) 19.051 24.905 ( -7.483 -1.163 -3.139) 8.198 24.905 ( -7.483 -1.163 3.139) 8.198 25.033 ( 8.618 -1.189 -2.536) 9.061 25.033 ( 8.618 -1.189 2.536) 9.061 25.146 ( -1.282 -2.305 -2.132) 3.391 25.146 ( -1.282 -2.305 2.132) 3.391 25.284 ( 6.070 5.602 -2.591) 8.657 25.284 ( 6.070 5.602 2.591) 8.657 25.514 ( -12.000 3.540 -2.761) 12.812 25.514 ( -12.000 3.540 2.761) 12.812 25.921 ( 4.147 -5.395 -5.162) 8.541 25.921 ( 4.147 -5.395 5.162) 8.541 26.005 ( -1.623 -4.835 -2.583) 5.717 26.005 ( -1.623 -4.835 2.583) 5.717 26.981 ( 7.041 0.804 -7.107) 10.037 26.981 ( 7.041 0.804 7.107) 10.037 27.052 ( 6.622 -0.791 -2.718) 7.202 27.052 ( 6.622 -0.791 2.718) 7.202 27.223 ( -16.721 1.062 -5.298) 17.572 27.223 ( -16.721 1.062 5.298) 17.572 27.298 ( -16.841 -0.651 -1.044) 16.886 27.298 ( -16.841 -0.651 1.044) 16.886 30.983 ( 11.800 5.735 -2.273) 13.315 30.983 ( 11.800 5.735 2.273) 13.315 31.170 ( -6.218 5.291 -4.260) 9.209 31.170 ( -6.218 5.291 4.260) 9.209 31.635 ( 9.212 -8.888 -3.428) 13.252 31.635 ( 9.212 -8.888 3.428) 13.252 31.758 ( -2.778 -7.903 -2.599) 8.771 31.758 ( -2.778 -7.903 2.599) 8.771 35.039 ( 0.268 5.802 -1.595) 6.024 35.039 ( 0.268 5.802 1.595) 6.024 35.063 ( -2.005 6.654 -0.959) 7.015 35.063 ( -2.005 6.654 0.959) 7.015 35.502 ( 3.055 -3.829 -1.621) 5.160 35.502 ( 3.055 -3.829 1.621) 5.160 35.576 ( -4.037 -4.312 -0.654) 5.943 35.576 ( -4.037 -4.312 0.654) 5.943 40.015 ( 10.122 1.203 -1.788) 10.349 40.015 ( 10.122 1.203 1.788) 10.349 40.129 ( 6.911 -1.394 -4.752) 8.502 40.129 ( 6.911 -1.394 4.752) 8.502 40.274 ( -1.549 2.077 -3.713) 4.527 40.274 ( -1.549 2.077 3.713) 4.527 40.462 ( -11.825 -2.263 -9.093) 15.087 40.462 ( -11.825 -2.263 9.093) 15.087 41.533 ( 9.987 4.793 -4.438) 11.934 41.533 ( 9.987 4.793 4.438) 11.934 41.658 ( -2.543 4.887 -4.143) 6.894 41.658 ( -2.543 4.887 4.143) 6.894 42.007 ( 10.843 -4.337 -3.688) 12.247 42.007 ( 10.843 -4.337 3.688) 12.247 42.174 ( -5.326 -5.246 -1.410) 7.607 42.174 ( -5.326 -5.246 1.410) 7.607 98.731 ( 23.233 1.505 -0.497) 23.287 98.731 ( 23.233 1.505 0.497) 23.287 98.875 ( 21.186 -1.720 -2.184) 21.367 98.875 ( 21.186 -1.720 2.184) 21.367 99.186 ( -20.580 1.177 -0.439) 20.618 99.186 ( -20.580 1.177 0.439) 20.618 99.299 ( -19.636 -1.346 -0.384) 19.686 99.299 ( -19.636 -1.346 0.384) 19.686 ======================= Grid point 154 (49/54) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 0.000 12.624 -31.823) 34.236 2.207 ( 0.000 12.624 31.823) 34.236 2.531 ( 0.000 -17.887 -2.484) 18.059 2.531 ( 0.000 -17.887 2.484) 18.059 2.942 ( 0.000 11.567 -37.405) 39.153 2.942 ( 0.000 11.567 37.405) 39.153 3.234 ( 0.000 -14.465 -32.744) 35.796 3.234 ( 0.000 -14.465 32.744) 35.796 3.989 ( 0.000 23.477 -21.184) 31.622 3.989 ( 0.000 23.477 21.184) 31.622 4.417 ( 0.000 -15.154 -13.415) 20.239 4.417 ( 0.000 -15.154 13.415) 20.239 5.307 ( 0.000 13.249 -8.122) 15.541 5.307 ( 0.000 13.249 8.122) 15.541 5.392 ( 0.000 3.233 -24.119) 24.334 5.392 ( 0.000 3.233 24.119) 24.334 5.869 ( 0.000 9.479 -16.128) 18.707 5.869 ( 0.000 9.479 16.128) 18.707 6.178 ( 0.000 -13.165 -13.982) 19.205 6.178 ( 0.000 -13.165 13.982) 19.205 6.700 ( 0.000 -4.659 -25.972) 26.386 6.700 ( 0.000 -4.659 25.972) 26.386 6.758 ( 0.000 -0.981 -37.617) 37.630 6.758 ( 0.000 -0.981 37.617) 37.630 7.209 ( 0.000 12.736 -14.388) 19.215 7.209 ( 0.000 12.736 14.388) 19.215 7.545 ( 0.000 -15.637 -8.172) 17.644 7.545 ( 0.000 -15.637 8.172) 17.644 7.792 ( 0.000 6.149 -20.664) 21.559 7.792 ( 0.000 6.149 20.664) 21.559 7.933 ( 0.000 -7.340 -8.608) 11.312 7.933 ( 0.000 -7.340 8.608) 11.312 8.277 ( 0.000 8.096 -15.860) 17.807 8.277 ( 0.000 8.096 15.860) 17.807 8.491 ( 0.000 -12.853 -5.479) 13.972 8.491 ( 0.000 -12.853 5.479) 13.972 9.242 ( 0.000 2.724 -4.714) 5.444 9.242 ( 0.000 2.724 4.714) 5.444 9.296 ( 0.000 -5.328 -3.992) 6.657 9.296 ( 0.000 -5.328 3.992) 6.657 9.729 ( 0.000 0.600 -6.195) 6.224 9.729 ( 0.000 0.600 6.195) 6.224 9.749 ( 0.000 1.023 -8.916) 8.975 9.749 ( 0.000 1.023 8.916) 8.975 10.730 ( 0.000 3.216 -6.644) 7.381 10.730 ( 0.000 3.216 6.644) 7.381 10.775 ( 0.000 -1.360 -7.570) 7.691 10.775 ( 0.000 -1.360 7.570) 7.691 11.429 ( 0.000 3.986 -16.988) 17.449 11.429 ( 0.000 3.986 16.988) 17.449 11.509 ( 0.000 -3.584 -15.259) 15.674 11.509 ( 0.000 -3.584 15.259) 15.674 12.043 ( 0.000 5.539 -6.679) 8.677 12.043 ( 0.000 5.539 6.679) 8.677 12.158 ( 0.000 -5.657 -2.433) 6.158 12.158 ( 0.000 -5.657 2.433) 6.158 12.815 ( 0.000 7.805 -9.796) 12.525 12.815 ( 0.000 7.805 9.796) 12.525 12.926 ( 0.000 -1.576 -9.737) 9.864 12.926 ( 0.000 -1.576 9.737) 9.864 13.301 ( 0.000 1.036 -21.816) 21.840 13.301 ( 0.000 1.036 21.816) 21.840 13.325 ( 0.000 -1.472 -17.931) 17.992 13.325 ( 0.000 -1.472 17.931) 17.992 14.534 ( 0.000 4.055 -29.064) 29.346 14.534 ( 0.000 4.055 29.064) 29.346 14.629 ( 0.000 -6.302 -27.563) 28.274 14.629 ( 0.000 -6.302 27.563) 28.274 15.637 ( 0.000 3.741 -28.444) 28.689 15.637 ( 0.000 3.741 28.444) 28.689 15.700 ( 0.000 -2.468 -28.742) 28.847 15.700 ( 0.000 -2.468 28.742) 28.847 16.321 ( 0.000 10.346 -29.420) 31.186 16.321 ( 0.000 10.346 29.420) 31.186 16.588 ( 0.000 -14.495 -29.021) 32.439 16.588 ( 0.000 -14.495 29.021) 32.439 18.386 ( 0.000 3.126 -25.095) 25.289 18.386 ( 0.000 3.126 25.095) 25.289 18.462 ( 0.000 -3.838 -25.774) 26.058 18.462 ( 0.000 -3.838 25.774) 26.058 18.713 ( 0.000 6.337 -17.094) 18.231 18.713 ( 0.000 6.337 17.094) 18.231 18.795 ( 0.000 -1.091 -4.996) 5.114 18.795 ( 0.000 -1.091 4.996) 5.114 19.133 ( 0.000 -1.732 -4.469) 4.793 19.133 ( 0.000 -1.732 4.469) 4.793 19.141 ( 0.000 -2.124 -13.958) 14.119 19.141 ( 0.000 -2.124 13.958) 14.119 19.709 ( 0.000 4.636 -1.944) 5.027 19.709 ( 0.000 4.636 1.944) 5.027 19.852 ( 0.000 -9.281 -1.539) 9.408 19.852 ( 0.000 -9.281 1.539) 9.408 20.170 ( 0.000 8.975 -13.802) 16.464 20.170 ( 0.000 8.975 13.802) 16.464 20.324 ( 0.000 -5.654 -9.027) 10.652 20.324 ( 0.000 -5.654 9.027) 10.652 21.111 ( 0.000 4.625 -9.443) 10.514 21.111 ( 0.000 4.625 9.443) 10.514 21.221 ( 0.000 -6.148 -8.999) 10.898 21.221 ( 0.000 -6.148 8.999) 10.898 21.678 ( 0.000 1.843 -5.757) 6.044 21.678 ( 0.000 1.843 5.757) 6.044 21.723 ( 0.000 -1.899 -7.890) 8.115 21.723 ( 0.000 -1.899 7.890) 8.115 22.150 ( 0.000 1.827 -3.187) 3.674 22.150 ( 0.000 1.827 3.187) 3.674 22.181 ( 0.000 -1.449 -2.064) 2.522 22.181 ( 0.000 -1.449 2.064) 2.522 22.489 ( 0.000 5.250 -9.380) 10.750 22.489 ( 0.000 5.250 9.380) 10.750 22.608 ( 0.000 -6.129 -11.643) 13.158 22.608 ( 0.000 -6.129 11.643) 13.158 22.998 ( 0.000 4.015 -6.064) 7.272 22.998 ( 0.000 4.015 6.064) 7.272 23.101 ( 0.000 -5.385 -5.252) 7.522 23.101 ( 0.000 -5.385 5.252) 7.522 23.300 ( 0.000 3.298 -4.573) 5.638 23.300 ( 0.000 3.298 4.573) 5.638 23.341 ( 0.000 -0.731 -4.521) 4.579 23.341 ( 0.000 -0.731 4.521) 4.579 23.561 ( 0.000 12.522 -7.272) 14.481 23.561 ( 0.000 12.522 7.272) 14.481 23.781 ( 0.000 -8.103 -12.067) 14.535 23.781 ( 0.000 -8.103 12.067) 14.535 24.094 ( 0.000 7.724 -13.584) 15.626 24.094 ( 0.000 7.724 13.584) 15.626 24.256 ( 0.000 -8.053 -10.161) 12.965 24.256 ( 0.000 -8.053 10.161) 12.965 24.435 ( 0.000 5.464 -5.710) 7.903 24.435 ( 0.000 5.464 5.710) 7.903 24.487 ( 0.000 -1.199 -1.990) 2.323 24.487 ( 0.000 -1.199 1.990) 2.323 24.618 ( 0.000 0.215 -3.577) 3.584 24.618 ( 0.000 0.215 3.577) 3.584 24.619 ( 0.000 0.019 -1.202) 1.203 24.619 ( 0.000 0.019 1.202) 1.203 24.869 ( 0.000 5.420 -5.300) 7.580 24.869 ( 0.000 5.420 5.300) 7.580 24.931 ( 0.000 -0.646 -3.349) 3.411 24.931 ( 0.000 -0.646 3.349) 3.411 25.376 ( 0.000 8.563 -14.197) 16.579 25.376 ( 0.000 8.563 14.197) 16.579 25.644 ( 0.000 -15.652 -22.267) 27.218 25.644 ( 0.000 -15.652 22.267) 27.218 27.247 ( 0.000 6.108 -6.871) 9.194 27.247 ( 0.000 6.108 6.871) 9.194 27.401 ( 0.000 -9.174 -8.899) 12.781 27.401 ( 0.000 -9.174 8.899) 12.781 29.020 ( 0.000 0.951 -0.981) 1.366 29.020 ( 0.000 0.951 0.981) 1.366 29.041 ( 0.000 -0.984 -1.278) 1.613 29.041 ( 0.000 -0.984 1.278) 1.613 29.771 ( 0.000 3.368 -9.047) 9.654 29.771 ( 0.000 3.368 9.047) 9.654 29.838 ( 0.000 -2.979 -11.085) 11.478 29.838 ( 0.000 -2.979 11.085) 11.478 31.055 ( 0.000 10.224 -10.014) 14.311 31.055 ( 0.000 10.224 10.014) 14.311 31.235 ( 0.000 -7.339 -10.143) 12.520 31.235 ( 0.000 -7.339 10.143) 12.520 35.391 ( 0.000 7.636 -11.977) 14.204 35.391 ( 0.000 7.636 11.977) 14.204 35.512 ( 0.000 -2.817 -9.478) 9.887 35.512 ( 0.000 -2.817 9.478) 9.887 35.711 ( 0.000 12.335 -3.634) 12.860 35.711 ( 0.000 12.335 3.634) 12.860 36.028 ( 0.000 -16.602 -2.838) 16.843 36.028 ( 0.000 -16.602 2.838) 16.843 39.093 ( 0.000 0.774 -6.938) 6.981 39.093 ( 0.000 0.774 6.938) 6.981 39.111 ( 0.000 -0.969 -6.848) 6.916 39.111 ( 0.000 -0.969 6.848) 6.916 39.830 ( 0.000 7.459 -27.775) 28.759 39.830 ( 0.000 7.459 27.775) 28.759 39.911 ( 0.000 1.108 -9.931) 9.993 39.911 ( 0.000 1.108 9.931) 9.993 39.965 ( 0.000 -1.646 -6.453) 6.659 39.965 ( 0.000 -1.646 6.453) 6.659 40.091 ( 0.000 -16.689 -25.927) 30.834 40.091 ( 0.000 -16.689 25.927) 30.834 42.224 ( 0.000 4.084 -25.121) 25.451 42.224 ( 0.000 4.084 25.121) 25.451 42.242 ( 0.000 1.252 -22.116) 22.151 42.242 ( 0.000 1.252 22.116) 22.151 96.812 ( 0.000 0.175 -0.066) 0.187 96.812 ( 0.000 0.175 0.066) 0.187 96.815 ( 0.000 -0.154 -0.120) 0.196 96.815 ( 0.000 -0.154 0.120) 0.196 100.387 ( 0.000 3.749 -4.327) 5.725 100.387 ( 0.000 3.749 4.327) 5.725 100.489 ( 0.000 -6.353 -5.770) 8.582 100.489 ( 0.000 -6.353 5.770) 8.582 ======================= Grid point 156 (50/54) ======================= q-point: ( 0.09 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 26.448 11.762 -26.823) 39.462 2.483 ( 26.448 11.762 26.823) 39.462 2.762 ( 21.956 -15.668 -6.081) 27.650 2.762 ( 21.956 -15.668 6.081) 27.650 3.485 ( 37.634 13.837 -28.939) 49.449 3.485 ( 37.634 13.837 28.939) 49.449 3.768 ( 39.347 -12.153 -18.428) 45.116 3.768 ( 39.347 -12.153 18.428) 45.116 4.189 ( 25.040 19.361 -16.573) 35.728 4.189 ( 25.040 19.361 16.573) 35.728 4.584 ( 18.224 -16.319 -10.852) 26.762 4.584 ( 18.224 -16.319 10.852) 26.762 5.117 ( -8.887 15.783 -11.051) 21.219 5.117 ( -8.887 15.783 11.051) 21.219 5.386 ( -4.460 -9.270 -14.474) 17.758 5.386 ( -4.460 -9.270 14.474) 17.758 5.944 ( 7.773 14.504 -1.716) 16.545 5.944 ( 7.773 14.504 1.716) 16.545 6.263 ( 6.014 -11.176 -11.363) 17.034 6.263 ( 6.014 -11.176 11.363) 17.034 6.735 ( 3.919 3.642 -19.525) 20.245 6.735 ( 3.919 3.642 19.525) 20.245 6.881 ( 8.019 -7.870 -21.216) 24.008 6.881 ( 8.019 -7.870 21.216) 24.008 7.328 ( 13.379 16.290 -15.821) 26.357 7.328 ( 13.379 16.290 15.821) 26.357 7.663 ( 9.667 -12.270 -9.458) 18.261 7.663 ( 9.667 -12.270 9.458) 18.261 7.796 ( 2.177 3.218 -12.065) 12.675 7.796 ( 2.177 3.218 12.065) 12.675 7.964 ( 3.130 -10.768 -7.909) 13.722 7.964 ( 3.130 -10.768 7.909) 13.722 8.316 ( 3.890 5.943 -17.844) 19.206 8.316 ( 3.890 5.943 17.844) 19.206 8.487 ( -0.100 -12.356 -8.357) 14.917 8.487 ( -0.100 -12.356 8.357) 14.917 9.207 ( -1.631 7.072 -2.538) 7.689 9.207 ( -1.631 7.072 2.538) 7.689 9.372 ( 4.950 -6.527 -5.430) 9.828 9.372 ( 4.950 -6.527 5.430) 9.828 9.709 ( 1.060 7.076 -2.413) 7.551 9.709 ( 1.060 7.076 2.413) 7.551 9.857 ( 8.178 -6.569 -4.076) 11.254 9.857 ( 8.178 -6.569 4.076) 11.254 10.695 ( -2.499 6.116 -10.275) 12.216 10.695 ( -2.499 6.116 10.275) 12.216 10.799 ( 1.330 -3.670 -5.858) 7.039 10.799 ( 1.330 -3.670 5.858) 7.039 11.410 ( -1.249 4.179 -15.079) 15.697 11.410 ( -1.249 4.179 15.079) 15.697 11.517 ( 0.919 -5.750 -13.306) 14.525 11.517 ( 0.919 -5.750 13.306) 14.525 12.035 ( -0.285 9.304 -1.333) 9.403 12.035 ( -0.285 9.304 1.333) 9.403 12.218 ( 4.603 -7.790 -4.021) 9.902 12.218 ( 4.603 -7.790 4.021) 9.902 12.804 ( -1.609 7.881 -4.788) 9.361 12.804 ( -1.609 7.881 4.788) 9.361 12.911 ( -1.326 -1.594 -6.294) 6.627 12.911 ( -1.326 -1.594 6.294) 6.627 13.190 ( -9.810 1.225 -15.688) 18.543 13.190 ( -9.810 1.225 15.688) 18.543 13.248 ( -7.346 -3.305 -13.266) 15.520 13.248 ( -7.346 -3.305 13.266) 15.520 14.400 ( -10.291 6.385 -20.025) 23.402 14.400 ( -10.291 6.385 20.025) 23.402 14.521 ( -9.015 -4.698 -14.431) 17.652 14.521 ( -9.015 -4.698 14.431) 17.652 15.695 ( -1.249 1.160 -11.132) 11.261 15.695 ( -1.249 1.160 11.132) 11.261 15.744 ( -3.793 -3.493 -11.285) 12.407 15.744 ( -3.793 -3.493 11.285) 12.407 16.167 ( -7.655 10.977 -26.683) 29.851 16.167 ( -7.655 10.977 26.683) 29.851 16.413 ( -10.954 -11.976 -24.569) 29.446 16.413 ( -10.954 -11.976 24.569) 29.446 18.056 ( -26.667 2.007 -7.330) 27.729 18.056 ( -26.667 2.007 7.330) 27.729 18.095 ( -26.597 -1.702 -8.654) 28.022 18.095 ( -26.597 -1.702 8.654) 28.022 18.853 ( 8.497 5.852 -8.033) 13.076 18.853 ( 8.497 5.852 8.033) 13.076 18.970 ( 7.938 -5.178 -2.554) 9.816 18.970 ( 7.938 -5.178 2.554) 9.816 19.167 ( 4.205 1.593 -5.939) 7.450 19.167 ( 4.205 1.593 5.939) 7.450 19.225 ( 6.649 -3.318 -6.598) 9.938 19.225 ( 6.649 -3.318 6.598) 9.938 19.726 ( 1.355 3.966 -2.145) 4.708 19.726 ( 1.355 3.966 2.145) 4.708 19.854 ( -0.017 -8.518 -1.852) 8.717 19.854 ( -0.017 -8.518 1.852) 8.717 20.190 ( 1.841 9.067 -12.781) 15.779 20.190 ( 1.841 9.067 12.781) 15.779 20.349 ( 2.260 -6.011 -9.170) 11.195 20.349 ( 2.260 -6.011 9.170) 11.195 21.095 ( -1.553 3.219 -6.491) 7.410 21.095 ( -1.553 3.219 6.491) 7.410 21.170 ( -4.223 -3.993 -4.974) 7.650 21.170 ( -4.223 -3.993 4.974) 7.650 21.648 ( -2.443 4.372 -3.090) 5.885 21.648 ( -2.443 4.372 3.090) 5.885 21.735 ( 1.860 -3.615 -3.528) 5.383 21.735 ( 1.860 -3.615 3.528) 5.383 22.060 ( -5.283 2.884 -4.289) 7.391 22.060 ( -5.283 2.884 4.289) 7.391 22.115 ( -5.758 -3.195 -2.921) 7.204 22.115 ( -5.758 -3.195 2.921) 7.204 22.466 ( -2.532 4.108 -7.728) 9.111 22.466 ( -2.532 4.108 7.728) 9.111 22.568 ( -3.139 -5.602 -9.644) 11.587 22.568 ( -3.139 -5.602 9.644) 11.587 23.014 ( -6.962 5.933 -2.258) 9.422 23.014 ( -6.962 5.933 2.258) 9.422 23.119 ( -2.010 -3.685 -1.647) 4.509 23.119 ( -2.010 -3.685 1.647) 4.509 23.353 ( 7.388 5.409 -4.438) 10.176 23.353 ( 7.388 5.409 4.438) 10.176 23.419 ( 9.305 -0.890 -5.378) 10.784 23.419 ( 9.305 -0.890 5.378) 10.784 23.606 ( -0.780 5.685 -3.991) 6.990 23.606 ( -0.780 5.685 3.991) 6.990 23.706 ( -6.219 -3.047 -5.853) 9.068 23.706 ( -6.219 -3.047 5.853) 9.068 24.038 ( -2.952 5.229 -0.538) 6.028 24.038 ( -2.952 5.229 0.538) 6.028 24.160 ( -3.633 -4.910 -2.352) 6.546 24.160 ( -3.633 -4.910 2.352) 6.546 24.367 ( -9.217 6.286 -0.861) 11.189 24.367 ( -9.217 6.286 0.861) 11.189 24.455 ( -4.847 -2.147 -0.060) 5.301 24.455 ( -4.847 -2.147 0.060) 5.301 24.571 ( 1.206 2.112 -0.940) 2.607 24.571 ( 1.206 2.112 0.940) 2.607 24.661 ( 4.489 -5.590 -0.244) 7.173 24.661 ( 4.489 -5.590 0.244) 7.173 24.974 ( 8.679 4.148 -5.176) 10.924 24.974 ( 8.679 4.148 5.176) 10.924 25.039 ( 9.553 -2.127 -4.237) 10.665 25.039 ( 9.553 -2.127 4.237) 10.665 25.504 ( 9.813 6.340 -12.074) 16.800 25.504 ( 9.813 6.340 12.074) 16.800 25.693 ( 4.335 -10.990 -17.430) 21.056 25.693 ( 4.335 -10.990 17.430) 21.056 27.167 ( -6.278 7.502 -5.002) 10.987 27.167 ( -6.278 7.502 5.002) 10.987 27.350 ( -5.122 -10.232 -5.083) 12.521 27.350 ( -5.122 -10.232 5.083) 12.521 28.899 ( -11.117 0.973 -1.358) 11.242 28.899 ( -11.117 0.973 1.358) 11.242 28.920 ( -11.219 -0.969 -0.968) 11.302 28.920 ( -11.219 -0.969 0.968) 11.302 29.860 ( 8.645 3.645 -8.865) 12.908 29.860 ( 8.645 3.645 8.865) 12.908 29.945 ( 10.463 -4.538 -10.381) 15.422 29.945 ( 10.463 -4.538 10.381) 15.422 31.119 ( 5.741 9.214 -9.279) 14.281 31.119 ( 5.741 9.214 9.279) 14.281 31.284 ( 4.453 -6.909 -10.375) 13.237 31.284 ( 4.453 -6.909 10.375) 13.237 35.348 ( -3.575 7.369 -9.959) 12.895 35.348 ( -3.575 7.369 9.959) 12.895 35.471 ( -3.617 -3.358 -8.506) 9.834 35.471 ( -3.617 -3.358 8.506) 9.834 35.661 ( -4.365 11.745 -2.420) 12.761 35.661 ( -4.365 11.745 2.420) 12.761 35.945 ( -6.878 -14.211 -2.109) 15.928 35.945 ( -6.878 -14.211 2.109) 15.928 39.160 ( 6.744 1.885 -7.520) 10.276 39.160 ( 6.744 1.885 7.520) 10.276 39.210 ( 7.299 -2.741 -8.112) 11.252 39.210 ( 7.299 -2.741 8.112) 11.252 39.990 ( 12.717 6.323 -12.360) 18.828 39.990 ( 12.717 6.323 12.360) 18.828 40.065 ( 14.478 1.435 -12.219) 18.999 40.065 ( 14.478 1.435 12.219) 18.999 40.080 ( 12.086 1.839 -9.303) 15.362 40.080 ( 12.086 1.839 9.303) 15.362 40.325 ( 20.310 -17.918 -19.298) 33.256 40.325 ( 20.310 -17.918 19.298) 33.256 42.161 ( -5.967 3.211 -15.533) 16.946 42.161 ( -5.967 3.211 15.533) 16.946 42.185 ( -4.815 0.903 -16.294) 17.015 42.185 ( -4.815 0.903 16.294) 17.015 96.959 ( 13.371 1.125 -0.910) 13.449 96.959 ( 13.371 1.125 0.910) 13.449 96.989 ( 15.944 -1.896 -2.196) 16.206 96.989 ( 15.944 -1.896 2.196) 16.206 100.331 ( -5.310 3.346 -4.008) 7.447 100.331 ( -5.310 3.346 4.008) 7.447 100.420 ( -6.510 -5.276 -5.494) 10.020 100.420 ( -6.510 -5.276 5.494) 10.020 ======================= Grid point 158 (51/54) ======================= q-point: ( 0.18 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( 35.351 7.779 -18.960) 40.862 3.157 ( 35.351 7.779 18.960) 40.862 3.331 ( 30.329 -9.477 -5.349) 32.223 3.331 ( 30.329 -9.477 5.349) 32.223 4.011 ( 18.652 21.523 -26.454) 38.871 4.011 ( 18.652 21.523 26.454) 38.871 4.387 ( 20.605 -11.710 -12.600) 26.841 4.387 ( 20.605 -11.710 12.600) 26.841 4.772 ( 2.602 11.489 -4.653) 12.666 4.772 ( 2.602 11.489 4.653) 12.666 4.972 ( 16.713 -5.410 -3.960) 18.008 4.972 ( 16.713 -5.410 3.960) 18.008 5.412 ( 30.950 -0.522 -6.698) 31.670 5.412 ( 30.950 -0.522 6.698) 31.670 5.512 ( 35.472 -9.140 -5.490) 37.039 5.512 ( 35.472 -9.140 5.490) 37.039 6.151 ( 12.508 11.067 -11.238) 20.130 6.151 ( 12.508 11.067 11.238) 20.130 6.370 ( 4.485 -6.357 -12.402) 14.640 6.370 ( 4.485 -6.357 12.402) 14.640 6.865 ( 8.859 8.085 -8.710) 14.823 6.865 ( 8.859 8.085 8.710) 14.823 7.024 ( 8.231 -9.253 -6.948) 14.200 7.024 ( 8.231 -9.253 6.948) 14.200 7.687 ( 7.091 14.087 -2.667) 15.995 7.687 ( 7.091 14.087 2.667) 15.995 7.853 ( 21.215 0.117 -13.393) 25.089 7.853 ( 21.215 0.117 13.393) 25.089 7.914 ( 3.156 -7.291 -0.461) 7.958 7.914 ( 3.156 -7.291 0.461) 7.958 8.166 ( 18.888 -15.743 -15.215) 28.915 8.166 ( 18.888 -15.743 15.215) 28.915 8.449 ( 10.063 0.981 -13.324) 16.726 8.449 ( 10.063 0.981 13.324) 16.726 8.534 ( 7.517 -8.544 -4.688) 12.308 8.534 ( 7.517 -8.544 4.688) 12.308 9.205 ( 2.506 13.637 -3.909) 14.406 9.205 ( 2.506 13.637 3.909) 14.406 9.461 ( 3.443 -8.385 -7.266) 11.617 9.461 ( 3.443 -8.385 7.266) 11.617 9.813 ( 9.709 12.924 -1.191) 16.209 9.813 ( 9.709 12.924 1.191) 16.209 10.072 ( 12.482 -10.738 -5.070) 17.228 10.072 ( 12.482 -10.738 5.070) 17.228 10.651 ( -0.997 7.394 -15.140) 16.878 10.651 ( -0.997 7.394 15.140) 16.878 10.810 ( -0.387 -7.088 -7.711) 10.481 10.810 ( -0.387 -7.088 7.711) 10.481 11.407 ( 1.314 5.178 -11.911) 13.054 11.407 ( 1.314 5.178 11.911) 13.054 11.551 ( 2.109 -8.220 -11.192) 14.045 11.551 ( 2.109 -8.220 11.192) 14.045 12.032 ( -0.219 13.746 -3.775) 14.257 12.032 ( -0.219 13.746 3.775) 14.257 12.306 ( 3.298 -11.549 -6.237) 13.534 12.306 ( 3.298 -11.549 6.237) 13.534 12.685 ( -11.574 7.508 -7.028) 15.483 12.685 ( -11.574 7.508 7.028) 15.483 12.819 ( -12.205 -5.186 -11.111) 17.301 12.819 ( -12.205 -5.186 11.111) 17.301 13.010 ( -1.807 4.245 -11.679) 12.557 13.010 ( -1.807 4.245 11.679) 12.557 13.088 ( -6.123 -2.627 -8.498) 10.798 13.088 ( -6.123 -2.627 8.498) 10.798 14.202 ( -8.346 8.322 -5.596) 13.046 14.202 ( -8.346 8.322 5.596) 13.046 14.310 ( -11.054 -1.754 -8.678) 14.162 14.310 ( -11.054 -1.754 8.678) 14.162 15.276 ( -32.336 -0.508 -11.421) 34.297 15.276 ( -32.336 -0.508 11.421) 34.297 15.330 ( -32.030 -5.394 -16.485) 36.425 15.330 ( -32.030 -5.394 16.485) 36.425 16.274 ( 12.522 8.055 -7.395) 16.625 16.274 ( 12.522 8.055 7.395) 16.625 16.423 ( 8.790 -5.827 -8.842) 13.762 16.423 ( 8.790 -5.827 8.842) 13.762 17.425 ( -32.409 2.395 -14.178) 35.456 17.425 ( -32.409 2.395 14.178) 35.456 17.476 ( -32.685 -2.435 -11.921) 34.876 17.476 ( -32.685 -2.435 11.921) 34.876 18.963 ( 1.258 2.090 -1.859) 3.067 18.963 ( 1.258 2.090 1.859) 3.067 19.042 ( -0.894 -5.446 -3.009) 6.286 19.042 ( -0.894 -5.446 3.009) 6.286 19.283 ( 5.687 3.525 -6.304) 9.193 19.283 ( 5.687 3.525 6.304) 9.193 19.362 ( 5.512 -3.676 -5.990) 8.932 19.362 ( 5.512 -3.676 5.990) 8.932 19.749 ( 0.614 2.575 -2.338) 3.532 19.749 ( 0.614 2.575 2.338) 3.532 19.844 ( -0.973 -6.804 -1.728) 7.087 19.844 ( -0.973 -6.804 1.728) 7.087 20.230 ( 1.529 9.127 -10.793) 14.217 20.230 ( 1.529 9.127 10.793) 14.217 20.398 ( 1.922 -7.055 -9.663) 12.118 20.398 ( 1.922 -7.055 9.663) 12.118 21.033 ( -4.133 2.394 -0.962) 4.872 21.033 ( -4.133 2.394 0.962) 4.872 21.085 ( -3.587 -2.487 -1.656) 4.669 21.085 ( -3.587 -2.487 1.656) 4.669 21.581 ( -6.149 8.106 -1.005) 10.224 21.581 ( -6.149 8.106 1.005) 10.224 21.733 ( -7.698 -5.994 -3.004) 10.208 21.733 ( -7.698 -5.994 3.004) 10.208 22.022 ( 1.909 -0.075 -2.488) 3.137 22.022 ( 1.909 -0.075 2.488) 3.137 22.034 ( 4.573 -0.933 -2.505) 5.297 22.034 ( 4.573 -0.933 2.505) 5.297 22.404 ( -2.663 3.841 -7.172) 8.561 22.404 ( -2.663 3.841 7.172) 8.561 22.489 ( -3.866 -4.348 -8.665) 10.438 22.489 ( -3.866 -4.348 8.665) 10.438 22.812 ( -8.967 10.409 -2.851) 14.031 22.812 ( -8.967 10.409 2.851) 14.031 23.007 ( -6.654 -7.867 -3.027) 10.739 23.007 ( -6.654 -7.867 3.027) 10.739 23.399 ( -9.170 4.059 -5.265) 11.326 23.399 ( -9.170 4.059 5.265) 11.326 23.462 ( -8.248 1.743 -6.026) 10.362 23.462 ( -8.248 1.743 6.026) 10.362 23.508 ( -1.446 2.946 -4.661) 5.701 23.508 ( -1.446 2.946 4.661) 5.701 23.629 ( 0.344 -4.619 -6.210) 7.747 23.629 ( 0.344 -4.619 6.210) 7.747 23.998 ( -6.406 4.883 -5.139) 9.555 23.998 ( -6.406 4.883 5.139) 9.555 24.087 ( -8.063 -3.001 -3.729) 9.377 24.087 ( -8.063 -3.001 3.729) 9.377 24.276 ( 7.516 9.246 -3.377) 12.384 24.276 ( 7.516 9.246 3.377) 12.384 24.447 ( 6.561 -6.247 -1.278) 9.149 24.447 ( 6.561 -6.247 1.278) 9.149 24.663 ( 6.778 3.013 -2.123) 7.715 24.663 ( 6.778 3.013 2.123) 7.715 24.767 ( 5.803 -6.053 -1.309) 8.487 24.767 ( 5.803 -6.053 1.309) 8.487 25.163 ( 8.518 3.423 -5.562) 10.734 25.163 ( 8.518 3.423 5.562) 10.734 25.251 ( 9.540 -4.689 -5.748) 12.085 25.251 ( 9.540 -4.689 5.748) 12.085 25.694 ( 7.850 4.829 -6.196) 11.106 25.694 ( 7.850 4.829 6.196) 11.106 25.798 ( 5.275 -4.713 -8.348) 10.942 25.798 ( 5.275 -4.713 8.348) 10.942 27.046 ( -4.832 6.503 -3.917) 8.999 27.046 ( -4.832 6.503 3.917) 8.999 27.206 ( -8.006 -8.684 -2.345) 12.042 27.206 ( -8.006 -8.684 2.345) 12.042 28.590 ( -18.514 1.019 -0.978) 18.568 28.590 ( -18.514 1.019 0.978) 18.568 28.611 ( -18.371 -0.971 -1.077) 18.428 28.611 ( -18.371 -0.971 1.077) 18.428 30.117 ( 15.884 5.336 -9.264) 19.147 30.117 ( 15.884 5.336 9.264) 19.147 30.258 ( 19.283 -8.435 -9.709) 23.179 30.258 ( 19.283 -8.435 9.709) 23.179 31.259 ( 7.057 7.334 -7.396) 12.581 31.259 ( 7.057 7.334 7.396) 12.581 31.399 ( 6.236 -6.265 -10.002) 13.349 31.399 ( 6.236 -6.265 10.002) 13.349 35.271 ( -3.466 6.767 -7.210) 10.478 35.271 ( -3.466 6.767 7.210) 10.478 35.388 ( -3.910 -3.180 -6.326) 8.088 35.388 ( -3.910 -3.180 6.326) 8.088 35.555 ( -5.575 9.918 -1.556) 11.483 35.555 ( -5.575 9.918 1.556) 11.483 35.789 ( -7.722 -11.152 -2.557) 13.804 35.789 ( -7.722 -11.152 2.557) 13.804 39.339 ( 10.216 1.403 -7.032) 12.481 39.339 ( 10.216 1.403 7.032) 12.481 39.379 ( 9.179 -2.352 -8.101) 12.466 39.379 ( 9.179 -2.352 8.101) 12.466 40.272 ( 13.636 3.520 -10.631) 17.645 40.272 ( 13.636 3.520 10.631) 17.645 40.340 ( 13.842 -2.926 -8.715) 16.617 40.340 ( 13.842 -2.926 8.715) 16.617 40.516 ( 24.154 10.714 -13.710) 29.768 40.516 ( 24.154 10.714 13.710) 29.768 40.786 ( 22.159 -15.293 -8.823) 28.333 40.786 ( 22.159 -15.293 8.823) 28.333 42.007 ( -7.884 4.227 -14.546) 17.076 42.007 ( -7.884 4.227 14.546) 17.076 42.086 ( -3.886 -3.042 -16.885) 17.592 42.086 ( -3.886 -3.042 16.885) 17.592 97.324 ( 21.181 2.990 -2.088) 21.493 97.324 ( 21.181 2.990 2.088) 21.493 97.399 ( 22.526 -4.222 -4.450) 23.346 97.399 ( 22.526 -4.222 4.450) 23.346 100.174 ( -9.919 2.562 -3.166) 10.723 100.174 ( -9.919 2.562 3.166) 10.723 100.236 ( -11.052 -3.451 -4.471) 12.412 100.236 ( -11.052 -3.451 4.471) 12.412 ======================= Grid point 160 (52/54) ======================= q-point: ( 0.27 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.806 ( 25.957 4.710 -6.494) 27.169 3.806 ( 25.957 4.710 6.494) 27.169 3.905 ( 24.113 -4.575 -2.285) 24.649 3.905 ( 24.113 -4.575 2.285) 24.649 4.405 ( 18.660 19.821 -18.256) 32.777 4.405 ( 18.660 19.821 18.256) 32.777 4.664 ( 5.632 4.084 -8.366) 10.880 4.664 ( 5.632 4.084 8.366) 10.880 4.880 ( 13.803 -1.364 -2.575) 14.107 4.880 ( 13.803 -1.364 2.575) 14.107 5.115 ( 8.667 -12.985 -6.720) 16.997 5.115 ( 8.667 -12.985 6.720) 16.997 5.955 ( 11.636 4.534 -7.461) 14.547 5.955 ( 11.636 4.534 7.461) 14.547 6.049 ( 9.898 -1.589 -5.817) 11.590 6.049 ( 9.898 -1.589 5.817) 11.590 6.476 ( 11.558 3.582 -8.267) 14.655 6.476 ( 11.558 3.582 8.267) 14.655 6.560 ( 18.126 -4.907 -7.067) 20.064 6.560 ( 18.126 -4.907 7.067) 20.064 7.092 ( 14.423 10.655 -3.883) 18.347 7.092 ( 14.423 10.655 3.883) 18.347 7.329 ( 20.071 -10.885 -6.328) 23.693 7.329 ( 20.071 -10.885 6.328) 23.693 7.686 ( -1.526 0.411 -7.010) 7.186 7.686 ( -1.526 0.411 7.010) 7.186 7.881 ( -3.874 -16.463 -6.076) 17.971 7.881 ( -3.874 -16.463 6.076) 17.971 8.302 ( 15.209 7.300 -11.572) 20.458 8.302 ( 15.209 7.300 11.572) 20.458 8.503 ( 11.516 -9.353 -10.349) 18.089 8.503 ( 11.516 -9.353 10.349) 18.089 8.818 ( 23.105 4.319 -6.593) 24.412 8.818 ( 23.105 4.319 6.593) 24.412 8.931 ( 26.775 -5.917 -6.873) 28.269 8.931 ( 26.775 -5.917 6.873) 28.269 9.341 ( 10.091 9.928 -7.585) 16.060 9.341 ( 10.091 9.928 7.585) 16.060 9.513 ( 1.700 -5.196 -5.826) 7.990 9.513 ( 1.700 -5.196 5.826) 7.990 10.138 ( 23.275 15.496 -5.607) 28.518 10.138 ( 23.275 15.496 5.607) 28.518 10.371 ( 16.208 -3.673 -9.188) 18.990 10.371 ( 16.208 -3.673 9.188) 18.990 10.701 ( 6.934 1.100 -15.612) 17.118 10.701 ( 6.934 1.100 15.612) 17.118 10.814 ( 3.803 -9.820 -10.091) 14.585 10.814 ( 3.803 -9.820 10.091) 14.585 11.453 ( 2.177 4.680 -8.508) 9.951 11.453 ( 2.177 4.680 8.508) 9.951 11.573 ( -0.885 -4.844 -9.791) 10.959 11.573 ( -0.886 -4.844 9.791) 10.959 12.012 ( -3.109 12.076 -5.235) 13.524 12.012 ( -3.109 12.076 5.235) 13.524 12.291 ( -10.293 -10.056 -2.949) 14.689 12.291 ( -10.293 -10.056 2.949) 14.689 12.390 ( -10.927 3.277 -6.385) 13.073 12.390 ( -10.927 3.277 6.385) 13.073 12.504 ( -13.004 -6.407 -5.678) 15.568 12.504 ( -13.004 -6.407 5.678) 15.568 13.013 ( -1.883 4.964 -7.040) 8.818 13.013 ( -1.883 4.964 7.040) 8.818 13.071 ( 4.281 -0.242 -6.924) 8.144 13.071 ( 4.281 -0.242 6.924) 8.144 14.005 ( -14.531 7.091 -13.739) 21.218 14.005 ( -14.531 7.091 13.739) 21.218 14.086 ( -8.692 0.544 -4.411) 9.762 14.086 ( -8.692 0.544 4.411) 9.762 14.649 ( -24.960 -0.246 -8.491) 26.366 14.649 ( -24.960 -0.246 8.491) 26.366 14.727 ( -19.320 -6.185 -7.136) 21.504 14.727 ( -19.320 -6.185 7.136) 21.504 16.385 ( -15.417 4.707 -12.213) 20.224 16.385 ( -15.417 4.707 12.213) 20.224 16.465 ( -13.628 -2.900 -11.058) 17.788 16.465 ( -13.628 -2.900 11.058) 17.788 16.879 ( -10.647 5.121 -9.298) 15.035 16.879 ( -10.647 5.121 9.298) 15.035 16.974 ( -5.261 -3.406 -14.399) 15.704 16.974 ( -5.261 -3.406 14.399) 15.704 18.874 ( -10.660 -0.183 -8.519) 13.647 18.874 ( -10.660 -0.183 8.519) 13.647 18.939 ( -7.976 -6.043 -11.087) 14.935 18.939 ( -7.976 -6.043 11.087) 14.935 19.360 ( 0.900 1.867 -4.151) 4.639 19.360 ( 0.900 1.867 4.151) 4.639 19.393 ( -3.703 -1.048 -3.482) 5.190 19.393 ( -3.703 -1.048 3.482) 5.190 19.761 ( 1.287 1.660 -1.754) 2.737 19.761 ( 1.287 1.660 1.754) 2.737 19.827 ( -0.066 -5.094 -0.782) 5.154 19.827 ( -0.066 -5.094 0.782) 5.154 20.233 ( -1.617 8.209 -7.034) 10.931 20.233 ( -1.617 8.209 7.034) 10.931 20.399 ( -2.694 -7.745 -8.008) 11.462 20.399 ( -2.694 -7.745 8.008) 11.462 20.968 ( -1.951 2.745 -1.918) 3.876 20.968 ( -1.951 2.745 1.918) 3.876 21.021 ( -2.608 -2.185 -2.189) 4.046 21.021 ( -2.608 -2.185 2.189) 4.046 21.364 ( -11.578 5.575 -2.328) 13.060 21.364 ( -11.578 5.575 2.328) 13.060 21.464 ( -12.913 -3.696 -2.830) 13.726 21.464 ( -12.913 -3.696 2.830) 13.726 22.130 ( 4.145 3.107 -3.465) 6.232 22.130 ( 4.145 3.107 3.465) 6.232 22.197 ( 3.980 -2.831 -4.349) 6.540 22.197 ( 3.980 -2.831 4.349) 6.540 22.393 ( 2.641 6.087 -3.726) 7.609 22.393 ( 2.641 6.087 3.726) 7.609 22.491 ( 5.836 -3.118 -2.826) 7.195 22.491 ( 5.836 -3.118 2.826) 7.195 22.734 ( 2.668 5.497 -3.769) 7.179 22.734 ( 2.668 5.497 3.769) 7.179 22.885 ( -4.597 -8.303 -2.066) 9.713 22.885 ( -4.597 -8.303 2.066) 9.713 23.208 ( -8.881 2.233 -4.309) 10.121 23.208 ( -8.881 2.233 4.309) 10.121 23.241 ( -9.453 -0.642 -4.618) 10.541 23.241 ( -9.453 -0.642 4.618) 10.541 23.489 ( -1.782 4.355 -2.184) 5.187 23.489 ( -1.782 4.355 2.184) 5.187 23.572 ( -4.382 -4.240 -3.351) 6.958 23.572 ( -4.382 -4.240 3.351) 6.958 23.857 ( -5.305 3.872 -5.848) 8.794 23.857 ( -5.305 3.872 5.848) 8.794 23.919 ( -5.750 -1.045 -5.089) 7.750 23.919 ( -5.750 -1.045 5.089) 7.750 24.472 ( 7.614 8.801 -5.498) 12.872 24.472 ( 7.614 8.801 5.498) 12.872 24.613 ( 7.456 -4.437 -1.340) 8.779 24.613 ( 7.456 -4.437 1.340) 8.779 24.828 ( 8.937 2.266 -1.912) 9.416 24.828 ( 8.937 2.266 1.912) 9.416 24.920 ( 8.785 -5.266 -2.492) 10.541 24.920 ( 8.785 -5.266 2.492) 10.541 25.287 ( 3.381 4.491 -3.757) 6.761 25.287 ( 3.381 4.491 3.757) 6.761 25.402 ( 5.102 -6.257 -3.577) 8.830 25.402 ( 5.102 -6.257 3.577) 8.830 25.824 ( 5.123 4.035 -2.613) 7.025 25.824 ( 5.123 4.035 2.613) 7.025 25.896 ( 4.005 -2.789 -3.425) 5.962 25.896 ( 4.005 -2.789 3.425) 5.962 26.971 ( -2.694 3.200 -4.699) 6.291 26.971 ( -2.694 3.200 4.699) 6.291 27.056 ( -6.085 -4.704 -3.142) 8.308 27.056 ( -6.085 -4.704 3.142) 8.308 28.157 ( -23.148 1.186 -1.629) 23.236 28.157 ( -23.148 1.186 1.629) 23.236 28.181 ( -23.004 -1.139 -1.857) 23.107 28.181 ( -23.004 -1.139 1.857) 23.107 30.483 ( 18.880 8.198 -6.819) 21.684 30.483 ( 18.880 8.198 6.819) 21.684 30.687 ( 21.271 -11.420 -6.571) 25.021 30.687 ( 21.271 -11.420 6.571) 25.021 31.379 ( 4.110 6.609 -5.806) 9.709 31.379 ( 4.110 6.609 5.806) 9.709 31.520 ( 5.068 -6.975 -7.728) 11.579 31.520 ( 5.068 -6.975 7.728) 11.579 35.213 ( -2.197 6.552 -5.235) 8.670 35.213 ( -2.197 6.552 5.235) 8.670 35.321 ( -2.629 -1.441 -4.023) 5.017 35.321 ( -2.629 -1.441 4.023) 5.017 35.448 ( -4.377 6.807 -0.444) 8.104 35.448 ( -4.377 6.807 0.444) 8.104 35.643 ( -6.311 -9.414 -2.743) 11.661 35.643 ( -6.311 -9.414 2.743) 11.661 39.568 ( 11.812 0.707 -4.850) 12.788 39.568 ( 11.812 0.707 4.850) 12.788 39.590 ( 11.395 -1.326 -5.052) 12.535 39.590 ( 11.395 -1.326 5.052) 12.535 40.476 ( 4.850 4.346 -13.803) 15.262 40.476 ( 4.850 4.346 13.803) 15.262 40.565 ( 6.284 -4.096 -12.603) 14.666 40.565 ( 6.284 -4.096 12.603) 14.666 40.991 ( 21.554 9.685 -6.629) 24.542 40.991 ( 21.554 9.685 6.629) 24.542 41.204 ( 18.848 -10.495 -4.658) 22.070 41.204 ( 18.848 -10.495 4.658) 22.070 41.883 ( -3.350 7.584 -9.029) 12.258 41.883 ( -3.350 7.584 9.029) 12.258 42.049 ( 0.187 -8.148 -11.316) 13.946 42.049 ( 0.187 -8.148 11.316) 13.946 97.793 ( 23.999 3.618 -2.318) 24.380 97.793 ( 23.999 3.618 2.318) 24.380 97.878 ( 23.739 -4.430 -4.305) 24.529 97.878 ( 23.739 -4.430 4.305) 24.529 99.929 ( -13.860 1.986 -2.085) 14.156 99.929 ( -13.860 1.986 2.085) 14.156 99.974 ( -14.412 -2.310 -2.922) 14.885 99.974 ( -14.412 -2.310 2.922) 14.885 ======================= Grid point 162 (53/54) ======================= q-point: ( 0.36 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.215 ( 14.852 5.535 -5.743) 16.858 4.215 ( 14.852 5.535 5.743) 16.858 4.308 ( 15.650 -2.693 -5.938) 16.954 4.308 ( 15.650 -2.693 5.938) 16.954 4.631 ( 3.306 9.651 -2.060) 10.408 4.631 ( 3.306 9.651 2.060) 10.408 4.749 ( 2.161 2.214 -2.390) 3.909 4.749 ( 2.161 2.214 2.390) 3.909 5.249 ( 21.224 7.573 -8.304) 24.016 5.249 ( 21.224 7.573 8.304) 24.016 5.450 ( 20.794 -7.662 -2.944) 22.355 5.450 ( 20.794 -7.662 2.944) 22.355 6.016 ( -2.209 5.028 -8.190) 9.861 6.016 ( -2.209 5.028 8.190) 9.861 6.133 ( 2.238 -4.212 -13.412) 14.235 6.133 ( 2.238 -4.212 13.412) 14.235 6.631 ( 4.098 4.605 -4.287) 7.509 6.631 ( 4.098 4.605 4.287) 7.509 6.772 ( 2.911 -1.455 -0.303) 3.269 6.772 ( 2.911 -1.455 0.303) 3.269 7.286 ( -1.861 0.580 -4.664) 5.055 7.286 ( -1.861 0.580 4.664) 5.055 7.563 ( -3.781 -17.251 -1.947) 17.768 7.563 ( -3.781 -17.251 1.947) 17.768 7.840 ( 18.325 -1.276 -10.818) 21.318 7.840 ( 18.325 -1.276 10.818) 21.318 7.964 ( 18.340 -9.097 -8.660) 22.229 7.964 ( 18.340 -9.097 8.660) 22.229 8.619 ( 16.639 4.215 -9.756) 19.743 8.619 ( 16.639 4.215 9.756) 19.743 8.716 ( 10.343 -4.336 -7.457) 13.468 8.716 ( 10.343 -4.336 7.457) 13.468 9.085 ( 3.682 13.342 -5.812) 15.012 9.085 ( 3.682 13.342 5.812) 15.012 9.332 ( 8.076 -9.344 -10.670) 16.321 9.332 ( 8.076 -9.344 10.670) 16.321 9.503 ( 4.473 2.188 -13.873) 14.739 9.503 ( 4.473 2.188 13.873) 14.739 9.558 ( 2.842 -3.166 -11.949) 12.683 9.558 ( 2.842 -3.166 11.949) 12.683 10.577 ( 11.313 7.397 -5.122) 14.454 10.577 ( 11.313 7.397 5.122) 14.454 10.671 ( 11.380 0.023 -2.668) 11.689 10.671 ( 11.380 0.023 2.668) 11.689 10.969 ( 23.919 9.205 -1.980) 25.706 10.969 ( 23.919 9.205 1.980) 25.706 11.137 ( 17.604 -3.112 -1.842) 17.971 11.137 ( 17.604 -3.112 1.842) 17.971 11.431 ( -5.430 -0.913 -6.355) 8.409 11.431 ( -5.431 -0.913 6.355) 8.409 11.500 ( -5.547 -3.626 -4.426) 7.969 11.500 ( -5.547 -3.626 4.426) 7.969 11.821 ( -13.026 9.671 -1.208) 16.268 11.821 ( -13.026 9.671 1.208) 16.268 11.978 ( -11.001 -1.577 -3.206) 11.566 11.978 ( -11.001 -1.577 3.206) 11.566 12.323 ( 2.653 -3.120 -5.646) 6.975 12.323 ( 2.653 -3.120 5.646) 6.975 12.376 ( -0.833 -8.192 -4.073) 9.187 12.376 ( -0.833 -8.192 4.073) 9.187 12.968 ( -4.511 3.632 -2.850) 6.455 12.968 ( -4.511 3.632 2.850) 6.455 13.062 ( -6.625 -4.177 -1.389) 7.954 13.062 ( -6.625 -4.177 1.389) 7.954 13.772 ( -1.727 9.266 -13.782) 16.697 13.772 ( -1.727 9.266 13.782) 16.697 13.938 ( -3.520 -4.891 -9.444) 11.202 13.938 ( -3.520 -4.891 9.444) 11.202 14.384 ( -3.279 8.172 -10.619) 13.795 14.384 ( -3.279 8.172 10.619) 13.795 14.566 ( -1.945 -8.348 -16.200) 18.328 14.566 ( -1.945 -8.348 16.200) 18.328 15.902 ( -19.334 3.038 -14.508) 24.363 15.902 ( -19.334 3.038 14.508) 24.363 15.963 ( -20.108 -2.740 -9.383) 22.358 15.963 ( -20.108 -2.740 9.383) 22.358 16.861 ( -7.584 8.890 -23.185) 25.963 16.861 ( -7.584 8.890 23.185) 25.963 17.015 ( -0.062 -5.415 -23.988) 24.591 17.015 ( -0.062 -5.415 23.988) 24.591 18.579 ( -13.700 6.544 -10.001) 18.180 18.579 ( -13.700 6.544 10.001) 18.180 18.796 ( -3.141 -12.891 -7.700) 15.341 18.796 ( -3.141 -12.891 7.700) 15.341 19.182 ( -14.009 8.150 -3.347) 16.550 19.182 ( -14.009 8.150 3.347) 16.550 19.337 ( -4.454 -6.396 -3.100) 8.388 19.337 ( -4.454 -6.396 3.100) 8.388 19.803 ( 2.379 1.580 -3.366) 4.414 19.803 ( 2.379 1.580 3.366) 4.414 19.861 ( 3.176 -4.155 -2.177) 5.665 19.861 ( 3.176 -4.155 2.177) 5.665 20.162 ( -4.843 4.244 -4.002) 7.582 20.162 ( -4.843 4.244 4.002) 7.582 20.269 ( -9.167 -5.985 -5.495) 12.249 20.269 ( -9.167 -5.985 5.495) 12.249 20.948 ( 0.202 1.568 -2.973) 3.367 20.948 ( 0.202 1.568 2.973) 3.367 20.983 ( -0.766 -1.739 -3.286) 3.796 20.983 ( -0.766 -1.739 3.286) 3.796 21.230 ( -1.393 4.656 -2.000) 5.255 21.230 ( -1.393 4.656 2.000) 5.255 21.309 ( -2.976 -2.838 -1.478) 4.370 21.309 ( -2.976 -2.838 1.478) 4.370 22.149 ( 0.067 2.895 -3.357) 4.434 22.149 ( 0.067 2.895 3.357) 4.434 22.197 ( -0.535 -1.408 -4.242) 4.502 22.197 ( -0.535 -1.408 4.242) 4.502 22.418 ( -1.668 8.219 -1.208) 8.473 22.418 ( -1.668 8.219 1.208) 8.473 22.583 ( -1.503 -7.244 -3.348) 8.121 22.583 ( -1.503 -7.244 3.348) 8.121 22.829 ( 1.617 0.443 -1.145) 2.030 22.829 ( 1.617 0.443 1.145) 2.030 22.852 ( 0.141 -1.986 -1.857) 2.723 22.852 ( 0.141 -1.986 1.857) 2.723 23.047 ( -5.890 2.844 -2.933) 7.168 23.047 ( -5.890 2.844 2.933) 7.168 23.090 ( -6.056 -1.106 -4.298) 7.509 23.090 ( -6.056 -1.106 4.298) 7.509 23.482 ( 4.509 3.909 -5.929) 8.412 23.482 ( 4.509 3.909 5.929) 8.412 23.595 ( 7.368 -7.220 -4.128) 11.111 23.595 ( 7.368 -7.220 4.128) 11.111 23.807 ( 0.717 5.211 -4.940) 7.216 23.807 ( 0.717 5.211 4.940) 7.216 23.871 ( -0.230 -0.503 -7.708) 7.728 23.871 ( -0.230 -0.503 7.708) 7.728 24.586 ( 5.226 9.738 -4.515) 11.939 24.586 ( 5.226 9.738 4.515) 11.939 24.746 ( 6.108 -5.817 -1.524) 8.572 24.746 ( 6.108 -5.817 1.524) 8.572 24.994 ( 5.704 3.004 -1.603) 6.643 24.994 ( 5.704 3.004 1.603) 6.643 25.069 ( 4.297 -3.708 -0.749) 5.725 25.069 ( 4.297 -3.708 0.749) 5.725 25.330 ( 2.255 6.447 -4.745) 8.316 25.330 ( 2.255 6.447 4.745) 8.316 25.482 ( 3.783 -7.576 -3.418) 9.131 25.482 ( 3.783 -7.576 3.418) 9.131 25.894 ( 0.274 1.750 -1.211) 2.145 25.894 ( 0.274 1.750 1.211) 2.145 25.939 ( -0.099 -2.429 -3.101) 3.940 25.939 ( -0.099 -2.429 3.101) 3.940 26.936 ( -0.155 1.523 -4.966) 5.197 26.936 ( -0.155 1.523 4.966) 5.197 26.976 ( -1.218 -2.167 -3.182) 4.038 26.976 ( -1.218 -2.167 3.182) 4.038 27.670 ( -23.278 1.309 -2.743) 23.475 27.670 ( -23.278 1.309 2.743) 23.475 27.697 ( -23.140 -1.242 -2.200) 23.278 27.697 ( -23.140 -1.242 2.200) 23.278 30.856 ( 16.787 10.097 -3.124) 19.837 30.856 ( 16.787 10.097 3.124) 19.837 31.088 ( 16.968 -11.500 -3.129) 20.736 31.088 ( 16.968 -11.500 3.129) 20.736 31.418 ( -0.266 6.721 -5.799) 8.881 31.418 ( -0.266 6.721 5.799) 8.881 31.588 ( 1.120 -8.936 -5.485) 10.545 31.588 ( 1.120 -8.936 5.485) 10.545 35.182 ( -0.743 6.973 -3.508) 7.841 35.182 ( -0.743 6.973 3.508) 7.841 35.271 ( -2.576 3.182 -1.712) 4.438 35.271 ( -2.576 3.182 1.712) 4.438 35.391 ( -0.951 0.631 -1.939) 2.250 35.391 ( -0.951 0.631 1.939) 2.250 35.533 ( -4.494 -8.266 -1.651) 9.552 35.533 ( -4.494 -8.266 1.651) 9.552 39.813 ( 11.952 1.215 -2.053) 12.188 39.813 ( 11.952 1.215 2.053) 12.188 39.843 ( 12.870 -1.613 -1.466) 13.054 39.843 ( 12.870 -1.613 1.466) 13.054 40.468 ( -4.761 4.878 -12.209) 13.983 40.468 ( -4.761 4.878 12.209) 13.983 40.569 ( -5.184 -4.831 -12.969) 14.779 40.569 ( -5.184 -4.831 12.969) 14.779 41.387 ( 16.702 8.158 -2.931) 18.818 41.387 ( 16.702 8.158 2.931) 18.818 41.558 ( 15.011 -7.843 -3.570) 17.309 41.558 ( 15.011 -7.843 3.570) 17.309 41.869 ( 1.101 8.919 -5.406) 10.487 41.869 ( 1.101 8.919 5.406) 10.487 42.064 ( 0.343 -9.476 -6.020) 11.232 42.064 ( 0.343 -9.476 6.020) 11.232 98.291 ( 24.125 3.223 -1.794) 24.405 98.291 ( 24.125 3.223 1.794) 24.405 98.362 ( 23.305 -3.595 -3.049) 23.777 98.362 ( 23.305 -3.595 3.049) 23.777 99.608 ( -17.364 1.803 -1.025) 17.487 99.608 ( -17.364 1.803 1.025) 17.487 99.647 ( -17.393 -1.928 -1.319) 17.549 99.647 ( -17.393 -1.928 1.319) 17.549 ======================= Grid point 164 (54/54) ======================= q-point: ( 0.45 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.455 ( 9.196 7.341 -5.641) 13.049 4.455 ( 9.196 7.341 5.641) 13.049 4.561 ( 6.823 1.353 -4.888) 8.501 4.561 ( 6.823 1.353 4.888) 8.501 4.618 ( -1.285 2.576 -3.388) 4.446 4.618 ( -1.285 2.576 3.388) 4.446 4.729 ( -4.212 -2.724 -3.092) 5.892 4.729 ( -4.212 -2.724 3.092) 5.892 5.636 ( 14.810 12.944 -12.479) 23.294 5.636 ( 14.810 12.944 12.479) 23.294 5.803 ( 4.553 4.768 -11.308) 13.089 5.803 ( 4.553 4.768 11.308) 13.089 5.982 ( 5.873 -0.818 -12.414) 13.758 5.982 ( 5.873 -0.818 12.414) 13.758 6.147 ( -3.007 -9.650 -14.388) 17.583 6.147 ( -3.007 -9.650 14.388) 17.583 6.674 ( 1.649 10.455 -2.020) 10.775 6.674 ( 1.649 10.455 2.020) 10.775 6.746 ( -4.438 11.868 -2.819) 12.980 6.746 ( -4.438 11.868 2.819) 12.980 7.237 ( 1.724 -20.085 -6.311) 21.124 7.237 ( 1.724 -20.085 6.311) 21.124 7.376 ( -10.145 -26.121 -1.940) 28.089 7.376 ( -10.145 -26.121 1.940) 28.089 8.220 ( 14.351 4.249 -9.917) 17.954 8.220 ( 14.351 4.249 9.918) 17.954 8.309 ( 8.454 -3.318 -4.023) 9.933 8.309 ( 8.454 -3.318 4.023) 9.933 8.863 ( 4.505 3.303 -0.598) 5.618 8.863 ( 4.505 3.303 0.598) 5.618 8.905 ( 4.280 -0.841 -3.533) 5.613 8.905 ( 4.280 -0.841 3.533) 5.614 9.182 ( 11.188 8.692 -6.075) 15.415 9.182 ( 11.188 8.692 6.075) 15.415 9.366 ( -1.177 -5.499 -8.331) 10.051 9.366 ( -1.177 -5.499 8.331) 10.051 9.513 ( -2.475 -2.267 -10.555) 11.076 9.513 ( -2.475 -2.267 10.555) 11.076 9.563 ( -3.506 -4.233 -11.382) 12.639 9.563 ( -3.506 -4.233 11.382) 12.639 10.761 ( 9.653 9.491 -3.153) 13.900 10.761 ( 9.653 9.491 3.153) 13.900 10.898 ( 12.268 -2.255 -1.031) 12.516 10.898 ( 12.268 -2.255 1.031) 12.516 11.031 ( -15.194 9.674 -5.466) 18.823 11.031 ( -15.194 9.674 5.466) 18.823 11.197 ( -14.680 -4.631 -6.693) 16.785 11.197 ( -14.680 -4.631 6.693) 16.785 11.366 ( 7.292 9.263 -5.998) 13.227 11.366 ( 7.292 9.263 5.998) 13.227 11.464 ( -2.201 -0.426 -2.243) 3.171 11.464 ( -2.201 -0.426 2.243) 3.171 11.738 ( 5.302 5.026 -6.501) 9.779 11.738 ( 5.302 5.026 6.501) 9.779 11.858 ( -5.391 -4.665 -7.141) 10.090 11.858 ( -5.391 -4.665 7.141) 10.090 12.465 ( 11.539 -0.648 -8.706) 14.469 12.465 ( 11.539 -0.648 8.706) 14.469 12.545 ( 12.945 -8.404 -3.896) 15.918 12.545 ( 12.945 -8.404 3.896) 15.918 12.777 ( -9.710 1.192 -5.808) 11.377 12.777 ( -9.710 1.192 5.808) 11.377 12.893 ( -10.661 -9.291 -4.536) 14.850 12.893 ( -10.660 -9.291 4.536) 14.850 13.922 ( 13.579 7.692 -8.705) 17.870 13.922 ( 13.579 7.692 8.706) 17.870 14.030 ( 11.640 -1.617 -4.790) 12.691 14.030 ( 11.640 -1.617 4.790) 12.691 14.253 ( -12.563 6.666 -4.053) 14.788 14.253 ( -12.563 6.666 4.053) 14.788 14.384 ( -16.605 -5.155 -7.109) 18.784 14.384 ( -16.605 -5.155 7.109) 18.784 15.851 ( 17.163 8.110 -11.587) 22.239 15.851 ( 17.163 8.110 11.587) 22.239 16.024 ( 23.397 -8.015 -8.446) 26.134 16.024 ( 23.397 -8.015 8.446) 26.134 16.446 ( -27.979 11.990 -15.182) 34.016 16.446 ( -27.979 11.990 15.182) 34.016 16.707 ( -29.458 -12.553 -15.714) 35.669 16.707 ( -29.458 -12.553 15.714) 35.669 18.520 ( 8.724 16.457 -5.028) 19.293 18.520 ( 8.724 16.457 5.028) 19.293 18.780 ( -9.611 6.876 -2.964) 12.184 18.780 ( -9.611 6.876 2.964) 12.184 18.966 ( 3.759 -10.399 -3.646) 11.643 18.966 ( 3.759 -10.399 3.646) 11.643 19.178 ( -10.755 -15.650 -5.671) 19.818 19.178 ( -10.755 -15.650 5.671) 19.818 19.864 ( 3.749 2.353 -3.254) 5.493 19.864 ( 3.749 2.353 3.254) 5.493 19.919 ( 0.769 -3.076 -0.110) 3.173 19.919 ( 0.769 -3.076 0.110) 3.173 20.060 ( -3.339 0.940 -2.161) 4.087 20.060 ( -3.339 0.940 2.161) 4.087 20.100 ( -5.773 -2.786 -3.268) 7.195 20.100 ( -5.773 -2.786 3.268) 7.195 20.973 ( 1.531 0.699 -2.106) 2.696 20.973 ( 1.531 0.699 2.106) 2.696 20.986 ( 0.299 -0.498 -1.236) 1.366 20.986 ( 0.299 -0.498 1.236) 1.366 21.243 ( 1.450 2.120 -0.798) 2.690 21.243 ( 1.450 2.120 0.798) 2.690 21.274 ( -1.451 -0.908 -0.844) 1.909 21.274 ( -1.451 -0.908 0.844) 1.909 22.183 ( 3.283 3.506 -2.183) 5.275 22.183 ( 3.283 3.506 2.183) 5.275 22.222 ( 1.528 0.597 -1.906) 2.515 22.222 ( 1.528 0.597 1.906) 2.515 22.368 ( -0.976 3.346 -0.743) 3.564 22.368 ( -0.976 3.346 0.743) 3.564 22.462 ( -7.863 -4.894 -0.391) 9.270 22.462 ( -7.863 -4.894 0.391) 9.270 22.809 ( -1.049 0.229 -0.298) 1.114 22.809 ( -1.049 0.229 0.298) 1.114 22.823 ( -1.968 -1.117 -0.840) 2.413 22.823 ( -1.968 -1.117 0.840) 2.413 22.965 ( -1.893 1.001 -1.516) 2.623 22.965 ( -1.893 1.001 1.516) 2.623 22.984 ( -3.601 -0.765 -1.533) 3.988 22.984 ( -3.601 -0.765 1.533) 3.988 23.669 ( 9.965 4.428 -6.172) 12.530 23.669 ( 9.965 4.428 6.172) 12.530 23.755 ( 4.723 -2.962 -2.427) 6.080 23.755 ( 4.723 -2.962 2.427) 6.080 23.831 ( -0.246 2.179 -4.347) 4.869 23.831 ( -0.246 2.179 4.347) 4.869 23.860 ( -1.285 0.008 -9.034) 9.125 23.860 ( -1.285 0.008 9.034) 9.125 24.746 ( 9.955 6.642 -2.837) 12.299 24.746 ( 9.955 6.642 2.837) 12.299 24.860 ( 2.643 -3.853 -1.615) 4.943 24.860 ( 2.643 -3.853 1.615) 4.943 25.024 ( -0.726 1.014 -2.659) 2.937 25.024 ( -0.726 1.014 2.659) 2.937 25.078 ( -3.014 -3.688 -1.789) 5.088 25.078 ( -3.014 -3.688 1.789) 5.088 25.437 ( 8.313 8.450 -2.285) 12.072 25.437 ( 8.313 8.450 2.285) 12.072 25.562 ( 0.940 -1.373 -2.284) 2.826 25.562 ( 0.940 -1.373 2.284) 2.826 25.819 ( -3.397 -1.747 -1.511) 4.108 25.819 ( -3.397 -1.747 1.511) 4.108 25.885 ( -5.487 -6.032 -2.562) 8.547 25.885 ( -5.487 -6.032 2.562) 8.547 27.003 ( 7.365 1.284 -5.082) 9.040 27.003 ( 7.365 1.284 5.082) 9.040 27.030 ( 7.132 -1.265 -2.885) 7.796 27.030 ( 7.132 -1.265 2.885) 7.796 27.250 ( -16.670 1.448 -3.898) 17.181 27.250 ( -16.670 1.448 3.898) 17.181 27.278 ( -16.758 -1.252 -2.194) 16.948 27.278 ( -16.758 -1.252 2.194) 16.948 31.151 ( 11.630 10.375 -2.543) 15.791 31.151 ( 11.630 10.375 2.543) 15.791 31.311 ( -1.199 5.488 -3.226) 6.478 31.311 ( -1.199 5.488 3.226) 6.478 31.420 ( 6.150 -8.354 -3.550) 10.964 31.420 ( 6.150 -8.354 3.550) 10.964 31.556 ( -4.387 -10.933 -3.861) 12.397 31.556 ( -4.387 -10.933 3.861) 12.397 35.184 ( 0.934 7.290 -2.002) 7.617 35.184 ( 0.934 7.290 2.002) 7.617 35.218 ( -2.281 6.517 -0.433) 6.918 35.218 ( -2.281 6.517 0.433) 6.918 35.403 ( 1.787 -4.403 -1.534) 4.993 35.403 ( 1.787 -4.403 1.534) 4.993 35.455 ( -3.148 -6.874 -0.594) 7.584 35.455 ( -3.148 -6.874 0.594) 7.584 40.049 ( 10.373 1.998 -2.693) 10.902 40.049 ( 10.373 1.998 2.693) 10.902 40.092 ( 9.734 -2.091 -3.317) 10.494 40.092 ( 9.734 -2.091 3.317) 10.494 40.330 ( -6.498 3.312 -6.495) 9.766 40.330 ( -6.498 3.312 6.495) 9.766 40.401 ( -9.779 -3.432 -8.394) 13.336 40.401 ( -9.779 -3.432 8.394) 13.336 41.661 ( 9.605 7.154 -1.904) 12.127 41.661 ( 9.605 7.154 1.904) 12.127 41.757 ( 1.863 1.383 -1.983) 3.052 41.757 ( 1.863 1.383 1.983) 3.052 41.923 ( 5.331 -0.644 -2.236) 5.816 41.923 ( 5.331 -0.644 2.236) 5.816 42.033 ( -3.734 -7.854 -2.155) 8.959 42.033 ( -3.734 -7.854 2.155) 8.959 98.774 ( 22.734 2.544 -1.020) 22.898 98.774 ( 22.734 2.544 1.020) 22.898 98.829 ( 21.972 -2.679 -1.645) 22.196 98.829 ( 21.972 -2.679 1.645) 22.196 99.220 ( -20.353 1.995 -0.385) 20.454 99.220 ( -20.353 1.995 0.385) 20.454 99.263 ( -19.975 -2.096 -0.353) 20.087 99.263 ( -19.975 -2.096 0.353) 20.087 =================== 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 3/42240 10.0 1768.400 3412.929 1944.460 0.000 0.000 0.000 3/42240 20.0 1096.081 765.407 1045.483 0.000 0.000 0.000 3/42240 30.0 553.482 276.621 337.763 0.000 0.000 0.000 3/42240 40.0 332.555 136.496 160.971 0.000 0.000 0.000 3/42240 50.0 215.468 81.151 95.338 0.000 0.000 0.000 3/42240 60.0 150.648 54.656 64.191 0.000 0.000 0.000 3/42240 70.0 112.459 40.154 47.083 0.000 0.000 0.000 3/42240 80.0 88.403 31.382 36.683 0.000 0.000 0.000 3/42240 90.0 72.319 25.651 29.866 0.000 0.000 0.000 3/42240 100.0 61.011 21.670 25.132 0.000 0.000 0.000 3/42240 110.0 52.719 18.764 21.692 0.000 0.000 0.000 3/42240 120.0 46.421 16.557 19.096 0.000 0.000 0.000 3/42240 130.0 41.491 14.825 17.074 0.000 0.000 0.000 3/42240 140.0 37.534 13.427 15.458 0.000 0.000 0.000 3/42240 150.0 34.288 12.274 14.136 0.000 0.000 0.000 3/42240 160.0 31.574 11.305 13.034 0.000 0.000 0.000 3/42240 170.0 29.271 10.479 12.099 0.000 0.000 0.000 3/42240 180.0 27.288 9.764 11.295 0.000 0.000 0.000 3/42240 190.0 25.562 9.140 10.595 0.000 0.000 0.000 3/42240 200.0 24.045 8.590 9.980 0.000 0.000 0.000 3/42240 210.0 22.699 8.102 9.433 0.000 0.000 0.000 3/42240 220.0 21.498 7.665 8.945 0.000 0.000 0.000 3/42240 230.0 20.418 7.272 8.505 0.000 0.000 0.000 3/42240 240.0 19.442 6.917 8.107 0.000 0.000 0.000 3/42240 250.0 18.555 6.595 7.745 0.000 0.000 0.000 3/42240 260.0 17.746 6.301 7.415 0.000 0.000 0.000 3/42240 270.0 17.005 6.032 7.111 0.000 0.000 0.000 3/42240 280.0 16.324 5.785 6.832 0.000 0.000 0.000 3/42240 290.0 15.695 5.557 6.573 0.000 0.000 0.000 3/42240 300.0 15.113 5.346 6.334 0.000 0.000 0.000 3/42240 310.0 14.574 5.151 6.112 0.000 0.000 0.000 3/42240 320.0 14.072 4.970 5.905 0.000 0.000 0.000 3/42240 330.0 13.604 4.801 5.711 0.000 0.000 0.000 3/42240 340.0 13.166 4.643 5.530 0.000 0.000 0.000 3/42240 350.0 12.756 4.496 5.361 0.000 0.000 0.000 3/42240 360.0 12.372 4.358 5.201 0.000 0.000 0.000 3/42240 370.0 12.010 4.228 5.051 0.000 0.000 0.000 3/42240 380.0 11.669 4.106 4.910 0.000 0.000 0.000 3/42240 390.0 11.348 3.990 4.776 0.000 0.000 0.000 3/42240 400.0 11.044 3.882 4.650 0.000 0.000 0.000 3/42240 410.0 10.757 3.779 4.530 0.000 0.000 0.000 3/42240 420.0 10.484 3.682 4.417 0.000 0.000 0.000 3/42240 430.0 10.226 3.589 4.309 0.000 0.000 0.000 3/42240 440.0 9.980 3.502 4.207 0.000 0.000 0.000 3/42240 450.0 9.746 3.418 4.109 0.000 0.000 0.000 3/42240 460.0 9.523 3.339 4.016 0.000 0.000 0.000 3/42240 470.0 9.311 3.263 3.927 0.000 0.000 0.000 3/42240 480.0 9.108 3.191 3.842 0.000 0.000 0.000 3/42240 490.0 8.914 3.122 3.761 0.000 0.000 0.000 3/42240 500.0 8.728 3.056 3.683 0.000 0.000 0.000 3/42240 510.0 8.551 2.993 3.609 0.000 0.000 0.000 3/42240 520.0 8.381 2.932 3.538 0.000 0.000 0.000 3/42240 530.0 8.217 2.874 3.469 0.000 0.000 0.000 3/42240 540.0 8.061 2.818 3.403 0.000 0.000 0.000 3/42240 550.0 7.910 2.765 3.340 0.000 0.000 0.000 3/42240 560.0 7.766 2.714 3.279 0.000 0.000 0.000 3/42240 570.0 7.626 2.664 3.220 0.000 0.000 0.000 3/42240 580.0 7.492 2.616 3.164 0.000 0.000 0.000 3/42240 590.0 7.363 2.570 3.109 0.000 0.000 0.000 3/42240 600.0 7.239 2.526 3.057 0.000 0.000 0.000 3/42240 610.0 7.118 2.483 3.006 0.000 0.000 0.000 3/42240 620.0 7.003 2.442 2.957 0.000 0.000 0.000 3/42240 630.0 6.891 2.402 2.909 0.000 0.000 0.000 3/42240 640.0 6.782 2.363 2.863 0.000 0.000 0.000 3/42240 650.0 6.678 2.326 2.819 0.000 0.000 0.000 3/42240 660.0 6.576 2.290 2.776 0.000 0.000 0.000 3/42240 670.0 6.478 2.255 2.734 0.000 0.000 0.000 3/42240 680.0 6.384 2.221 2.694 0.000 0.000 0.000 3/42240 690.0 6.292 2.188 2.654 0.000 0.000 0.000 3/42240 700.0 6.203 2.156 2.616 0.000 0.000 0.000 3/42240 710.0 6.116 2.125 2.579 0.000 0.000 0.000 3/42240 720.0 6.032 2.095 2.544 0.000 0.000 0.000 3/42240 730.0 5.951 2.066 2.509 0.000 0.000 0.000 3/42240 740.0 5.872 2.038 2.475 0.000 0.000 0.000 3/42240 750.0 5.795 2.010 2.442 0.000 0.000 0.000 3/42240 760.0 5.721 1.983 2.410 0.000 0.000 0.000 3/42240 770.0 5.648 1.957 2.379 0.000 0.000 0.000 3/42240 780.0 5.577 1.932 2.348 0.000 0.000 0.000 3/42240 790.0 5.509 1.907 2.319 0.000 0.000 0.000 3/42240 800.0 5.442 1.883 2.290 0.000 0.000 0.000 3/42240 810.0 5.377 1.860 2.262 0.000 0.000 0.000 3/42240 820.0 5.314 1.837 2.234 0.000 0.000 0.000 3/42240 830.0 5.252 1.815 2.207 0.000 0.000 0.000 3/42240 840.0 5.192 1.793 2.181 0.000 0.000 0.000 3/42240 850.0 5.133 1.772 2.156 0.000 0.000 0.000 3/42240 860.0 5.076 1.751 2.131 0.000 0.000 0.000 3/42240 870.0 5.020 1.731 2.107 0.000 0.000 0.000 3/42240 880.0 4.966 1.711 2.083 0.000 0.000 0.000 3/42240 890.0 4.912 1.692 2.060 0.000 0.000 0.000 3/42240 900.0 4.861 1.673 2.037 0.000 0.000 0.000 3/42240 910.0 4.810 1.654 2.015 0.000 0.000 0.000 3/42240 920.0 4.760 1.636 1.993 0.000 0.000 0.000 3/42240 930.0 4.712 1.619 1.972 0.000 0.000 0.000 3/42240 940.0 4.665 1.601 1.952 0.000 0.000 0.000 3/42240 950.0 4.618 1.585 1.931 0.000 0.000 0.000 3/42240 960.0 4.573 1.568 1.911 0.000 0.000 0.000 3/42240 970.0 4.529 1.552 1.892 0.000 0.000 0.000 3/42240 980.0 4.485 1.536 1.873 0.000 0.000 0.000 3/42240 990.0 4.443 1.521 1.854 0.000 0.000 0.000 3/42240 1000.0 4.401 1.505 1.836 0.000 0.000 0.000 3/42240 Thermal conductivity related properties were written into "kappa-m1154.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:24:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|