----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:32:19]------------------------- 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 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.769292164769711 0.000000000000000 0.000000000000000 b 0.000000000000000 5.454698190000000 0.000000000000000 c -5.536220198038408 0.000000000000000 10.590127069384257 Atomic positions (fractional): *1 F 0.26236895358682 0.07970179650248 0.45768447422672 18.998 2 F 0.73763104641318 0.57970179650248 0.04231552577328 18.998 3 F 0.73763104641318 0.92029820349752 0.54231552577328 18.998 4 F 0.26236895358682 0.42029820349752 0.95768447422672 18.998 *5 F 0.29320764276025 0.93782845788101 0.91289169409928 18.998 6 F 0.70679235723975 0.43782845788101 0.58710830590072 18.998 7 F 0.70679235723975 0.06217154211899 0.08710830590072 18.998 8 F 0.29320764276025 0.56217154211899 0.41289169409928 18.998 *9 F 0.47552794791379 0.29731631045021 0.86769941908961 18.998 10 F 0.52447205208621 0.79731631045021 0.63230058091039 18.998 11 F 0.52447205208621 0.70268368954979 0.13230058091039 18.998 12 F 0.47552794791379 0.20268368954979 0.36769941908961 18.998 *13 F 0.98350006109263 0.25586104004773 0.04930796083985 18.998 14 F 0.01649993890737 0.75586104004773 0.45069203916015 18.998 15 F 0.01649993890737 0.74413895995227 0.95069203916015 18.998 16 F 0.98350006109263 0.24413895995227 0.54930796083985 18.998 *17 F 0.26683372136317 0.95317686421420 0.68379388498731 18.998 18 F 0.73316627863683 0.45317686421420 0.81620611501269 18.998 19 F 0.73316627863683 0.04682313578580 0.31620611501268 18.998 20 F 0.26683372136317 0.54682313578580 0.18379388498731 18.998 *21 F 0.71545622775128 0.96739693479548 0.85585001277712 18.998 22 F 0.28454377224872 0.46739693479548 0.64414998722288 18.998 23 F 0.28454377224872 0.03260306520452 0.14414998722288 18.998 24 F 0.71545622775128 0.53260306520452 0.35585001277712 18.998 *25 F 0.04038142183404 0.89408973415534 0.22960673953364 18.998 26 F 0.95961857816596 0.39408973415534 0.27039326046637 18.998 27 F 0.95961857816596 0.10591026584466 0.77039326046637 18.998 28 F 0.04038142183404 0.60591026584466 0.72960673953363 18.998 *29 Sn 0.27077386600357 0.76145002449087 0.54232372804222 118.710 30 Sn 0.72922613399643 0.26145002449087 0.95767627195778 118.710 31 Sn 0.72922613399643 0.23854997550913 0.45767627195778 118.710 32 Sn 0.27077386600357 0.73854997550913 0.04232372804222 118.710 *33 Tl 0.18492312999137 0.24020943284486 0.26406681069281 204.383 34 Tl 0.81507687000863 0.74020943284486 0.23593318930719 204.383 35 Tl 0.81507687000863 0.75979056715514 0.73593318930719 204.383 36 Tl 0.18492312999137 0.25979056715514 0.76406681069281 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.769292164769711 0.000000000000000 0.000000000000000 b 0.000000000000000 5.454698190000000 0.000000000000000 c -5.536220198038408 0.000000000000000 10.590127069384257 Atomic positions (fractional): *1 F 0.26236895358682 0.07970179650248 0.45768447422672 18.998 > 1 2 F 0.73763104641318 0.57970179650248 0.04231552577328 18.998 > 2 3 F 0.73763104641318 0.92029820349752 0.54231552577328 18.998 > 3 4 F 0.26236895358682 0.42029820349752 0.95768447422672 18.998 > 4 *5 F 0.29320764276025 0.93782845788101 0.91289169409928 18.998 > 5 6 F 0.70679235723975 0.43782845788101 0.58710830590072 18.998 > 6 7 F 0.70679235723975 0.06217154211899 0.08710830590072 18.998 > 7 8 F 0.29320764276025 0.56217154211899 0.41289169409928 18.998 > 8 *9 F 0.47552794791379 0.29731631045021 0.86769941908961 18.998 > 9 10 F 0.52447205208621 0.79731631045021 0.63230058091039 18.998 > 10 11 F 0.52447205208621 0.70268368954979 0.13230058091039 18.998 > 11 12 F 0.47552794791379 0.20268368954979 0.36769941908961 18.998 > 12 *13 F 0.98350006109263 0.25586104004773 0.04930796083985 18.998 > 13 14 F 0.01649993890737 0.75586104004773 0.45069203916015 18.998 > 14 15 F 0.01649993890737 0.74413895995227 0.95069203916015 18.998 > 15 16 F 0.98350006109263 0.24413895995227 0.54930796083985 18.998 > 16 *17 F 0.26683372136317 0.95317686421420 0.68379388498731 18.998 > 17 18 F 0.73316627863683 0.45317686421420 0.81620611501269 18.998 > 18 19 F 0.73316627863683 0.04682313578580 0.31620611501268 18.998 > 19 20 F 0.26683372136317 0.54682313578580 0.18379388498731 18.998 > 20 *21 F 0.71545622775128 0.96739693479548 0.85585001277712 18.998 > 21 22 F 0.28454377224872 0.46739693479548 0.64414998722288 18.998 > 22 23 F 0.28454377224872 0.03260306520452 0.14414998722288 18.998 > 23 24 F 0.71545622775128 0.53260306520452 0.35585001277712 18.998 > 24 *25 F 0.04038142183404 0.89408973415534 0.22960673953364 18.998 > 25 26 F 0.95961857816596 0.39408973415534 0.27039326046637 18.998 > 26 27 F 0.95961857816596 0.10591026584466 0.77039326046637 18.998 > 27 28 F 0.04038142183404 0.60591026584466 0.72960673953363 18.998 > 28 *29 Sn 0.27077386600357 0.76145002449087 0.54232372804222 118.710 > 29 30 Sn 0.72922613399643 0.26145002449087 0.95767627195778 118.710 > 30 31 Sn 0.72922613399643 0.23854997550913 0.45767627195778 118.710 > 31 32 Sn 0.27077386600357 0.73854997550913 0.04232372804222 118.710 > 32 *33 Tl 0.18492312999137 0.24020943284486 0.26406681069281 204.383 > 33 34 Tl 0.81507687000863 0.74020943284486 0.23593318930719 204.383 > 34 35 Tl 0.81507687000863 0.75979056715514 0.73593318930719 204.383 > 35 36 Tl 0.18492312999137 0.25979056715514 0.76406681069281 204.383 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.538584329539422 0.000000000000000 0.000000000000000 b 0.000000000000000 10.909396380000000 0.000000000000000 c -5.536220198038408 0.000000000000000 10.590127069384257 Atomic positions (fractional): *1 F 0.13118447679341 0.03985089825124 0.45768447422672 18.998 > 1 2 F 0.63118447679341 0.03985089825124 0.45768447422672 18.998 > 1 3 F 0.13118447679341 0.53985089825124 0.45768447422672 18.998 > 1 4 F 0.63118447679341 0.53985089825124 0.45768447422672 18.998 > 1 5 F 0.36881552320659 0.28985089825124 0.04231552577328 18.998 > 2 6 F 0.86881552320659 0.28985089825124 0.04231552577328 18.998 > 2 7 F 0.36881552320659 0.78985089825124 0.04231552577328 18.998 > 2 8 F 0.86881552320659 0.78985089825124 0.04231552577328 18.998 > 2 9 F 0.36881552320659 0.46014910174876 0.54231552577328 18.998 > 3 10 F 0.86881552320659 0.46014910174876 0.54231552577328 18.998 > 3 11 F 0.36881552320659 0.96014910174876 0.54231552577328 18.998 > 3 12 F 0.86881552320659 0.96014910174876 0.54231552577328 18.998 > 3 13 F 0.13118447679341 0.21014910174876 0.95768447422672 18.998 > 4 14 F 0.63118447679341 0.21014910174876 0.95768447422672 18.998 > 4 15 F 0.13118447679341 0.71014910174876 0.95768447422672 18.998 > 4 16 F 0.63118447679341 0.71014910174876 0.95768447422672 18.998 > 4 *17 F 0.14660382138013 0.46891422894051 0.91289169409928 18.998 > 5 18 F 0.64660382138013 0.46891422894051 0.91289169409928 18.998 > 5 19 F 0.14660382138013 0.96891422894051 0.91289169409928 18.998 > 5 20 F 0.64660382138013 0.96891422894051 0.91289169409928 18.998 > 5 21 F 0.35339617861987 0.21891422894051 0.58710830590072 18.998 > 6 22 F 0.85339617861987 0.21891422894051 0.58710830590072 18.998 > 6 23 F 0.35339617861987 0.71891422894051 0.58710830590072 18.998 > 6 24 F 0.85339617861987 0.71891422894051 0.58710830590072 18.998 > 6 25 F 0.35339617861987 0.03108577105949 0.08710830590072 18.998 > 7 26 F 0.85339617861987 0.03108577105949 0.08710830590072 18.998 > 7 27 F 0.35339617861987 0.53108577105949 0.08710830590072 18.998 > 7 28 F 0.85339617861987 0.53108577105949 0.08710830590072 18.998 > 7 29 F 0.14660382138013 0.28108577105949 0.41289169409928 18.998 > 8 30 F 0.64660382138013 0.28108577105949 0.41289169409928 18.998 > 8 31 F 0.14660382138013 0.78108577105949 0.41289169409928 18.998 > 8 32 F 0.64660382138013 0.78108577105949 0.41289169409928 18.998 > 8 *33 F 0.23776397395689 0.14865815522511 0.86769941908961 18.998 > 9 34 F 0.73776397395689 0.14865815522511 0.86769941908961 18.998 > 9 35 F 0.23776397395689 0.64865815522511 0.86769941908961 18.998 > 9 36 F 0.73776397395689 0.64865815522511 0.86769941908961 18.998 > 9 37 F 0.26223602604311 0.39865815522511 0.63230058091039 18.998 > 10 38 F 0.76223602604311 0.39865815522511 0.63230058091039 18.998 > 10 39 F 0.26223602604311 0.89865815522511 0.63230058091039 18.998 > 10 40 F 0.76223602604311 0.89865815522511 0.63230058091039 18.998 > 10 41 F 0.26223602604311 0.35134184477489 0.13230058091039 18.998 > 11 42 F 0.76223602604311 0.35134184477489 0.13230058091039 18.998 > 11 43 F 0.26223602604311 0.85134184477489 0.13230058091039 18.998 > 11 44 F 0.76223602604311 0.85134184477489 0.13230058091039 18.998 > 11 45 F 0.23776397395689 0.10134184477489 0.36769941908961 18.998 > 12 46 F 0.73776397395689 0.10134184477489 0.36769941908961 18.998 > 12 47 F 0.23776397395689 0.60134184477489 0.36769941908961 18.998 > 12 48 F 0.73776397395689 0.60134184477489 0.36769941908961 18.998 > 12 *49 F 0.49175003054631 0.12793052002387 0.04930796083985 18.998 > 13 50 F 0.99175003054631 0.12793052002387 0.04930796083985 18.998 > 13 51 F 0.49175003054631 0.62793052002387 0.04930796083985 18.998 > 13 52 F 0.99175003054631 0.62793052002387 0.04930796083985 18.998 > 13 53 F 0.00824996945369 0.37793052002387 0.45069203916015 18.998 > 14 54 F 0.50824996945368 0.37793052002387 0.45069203916015 18.998 > 14 55 F 0.00824996945369 0.87793052002387 0.45069203916015 18.998 > 14 56 F 0.50824996945368 0.87793052002387 0.45069203916015 18.998 > 14 57 F 0.00824996945369 0.37206947997613 0.95069203916015 18.998 > 15 58 F 0.50824996945368 0.37206947997613 0.95069203916015 18.998 > 15 59 F 0.00824996945369 0.87206947997613 0.95069203916015 18.998 > 15 60 F 0.50824996945368 0.87206947997613 0.95069203916015 18.998 > 15 61 F 0.49175003054631 0.12206947997613 0.54930796083985 18.998 > 16 62 F 0.99175003054631 0.12206947997613 0.54930796083985 18.998 > 16 63 F 0.49175003054631 0.62206947997613 0.54930796083985 18.998 > 16 64 F 0.99175003054631 0.62206947997613 0.54930796083985 18.998 > 16 *65 F 0.13341686068159 0.47658843210710 0.68379388498731 18.998 > 17 66 F 0.63341686068159 0.47658843210710 0.68379388498731 18.998 > 17 67 F 0.13341686068159 0.97658843210710 0.68379388498731 18.998 > 17 68 F 0.63341686068159 0.97658843210710 0.68379388498731 18.998 > 17 69 F 0.36658313931841 0.22658843210710 0.81620611501269 18.998 > 18 70 F 0.86658313931841 0.22658843210710 0.81620611501269 18.998 > 18 71 F 0.36658313931841 0.72658843210710 0.81620611501269 18.998 > 18 72 F 0.86658313931841 0.72658843210710 0.81620611501269 18.998 > 18 73 F 0.36658313931841 0.02341156789290 0.31620611501268 18.998 > 19 74 F 0.86658313931841 0.02341156789290 0.31620611501268 18.998 > 19 75 F 0.36658313931841 0.52341156789290 0.31620611501268 18.998 > 19 76 F 0.86658313931841 0.52341156789290 0.31620611501268 18.998 > 19 77 F 0.13341686068159 0.27341156789290 0.18379388498731 18.998 > 20 78 F 0.63341686068159 0.27341156789290 0.18379388498731 18.998 > 20 79 F 0.13341686068159 0.77341156789290 0.18379388498731 18.998 > 20 80 F 0.63341686068159 0.77341156789290 0.18379388498731 18.998 > 20 *81 F 0.35772811387564 0.48369846739774 0.85585001277712 18.998 > 21 82 F 0.85772811387564 0.48369846739774 0.85585001277712 18.998 > 21 83 F 0.35772811387564 0.98369846739774 0.85585001277712 18.998 > 21 84 F 0.85772811387564 0.98369846739774 0.85585001277712 18.998 > 21 85 F 0.14227188612436 0.23369846739774 0.64414998722288 18.998 > 22 86 F 0.64227188612436 0.23369846739774 0.64414998722288 18.998 > 22 87 F 0.14227188612436 0.73369846739774 0.64414998722288 18.998 > 22 88 F 0.64227188612436 0.73369846739774 0.64414998722288 18.998 > 22 89 F 0.14227188612436 0.01630153260226 0.14414998722288 18.998 > 23 90 F 0.64227188612436 0.01630153260226 0.14414998722288 18.998 > 23 91 F 0.14227188612436 0.51630153260226 0.14414998722288 18.998 > 23 92 F 0.64227188612436 0.51630153260226 0.14414998722288 18.998 > 23 93 F 0.35772811387564 0.26630153260226 0.35585001277712 18.998 > 24 94 F 0.85772811387564 0.26630153260226 0.35585001277712 18.998 > 24 95 F 0.35772811387564 0.76630153260226 0.35585001277712 18.998 > 24 96 F 0.85772811387564 0.76630153260226 0.35585001277712 18.998 > 24 *97 F 0.02019071091702 0.44704486707767 0.22960673953364 18.998 > 25 98 F 0.52019071091702 0.44704486707767 0.22960673953364 18.998 > 25 99 F 0.02019071091702 0.94704486707767 0.22960673953364 18.998 > 25 100 F 0.52019071091702 0.94704486707767 0.22960673953364 18.998 > 25 101 F 0.47980928908298 0.19704486707767 0.27039326046637 18.998 > 26 102 F 0.97980928908298 0.19704486707767 0.27039326046637 18.998 > 26 103 F 0.47980928908298 0.69704486707767 0.27039326046637 18.998 > 26 104 F 0.97980928908298 0.69704486707767 0.27039326046637 18.998 > 26 105 F 0.47980928908298 0.05295513292233 0.77039326046637 18.998 > 27 106 F 0.97980928908298 0.05295513292233 0.77039326046637 18.998 > 27 107 F 0.47980928908298 0.55295513292233 0.77039326046637 18.998 > 27 108 F 0.97980928908298 0.55295513292233 0.77039326046637 18.998 > 27 109 F 0.02019071091702 0.30295513292233 0.72960673953363 18.998 > 28 110 F 0.52019071091702 0.30295513292233 0.72960673953363 18.998 > 28 111 F 0.02019071091702 0.80295513292233 0.72960673953363 18.998 > 28 112 F 0.52019071091702 0.80295513292233 0.72960673953363 18.998 > 28 *113 Sn 0.13538693300178 0.38072501224544 0.54232372804222 118.710 > 29 114 Sn 0.63538693300178 0.38072501224544 0.54232372804222 118.710 > 29 115 Sn 0.13538693300178 0.88072501224544 0.54232372804222 118.710 > 29 116 Sn 0.63538693300178 0.88072501224544 0.54232372804222 118.710 > 29 117 Sn 0.36461306699822 0.13072501224544 0.95767627195778 118.710 > 30 118 Sn 0.86461306699822 0.13072501224544 0.95767627195778 118.710 > 30 119 Sn 0.36461306699822 0.63072501224544 0.95767627195778 118.710 > 30 120 Sn 0.86461306699822 0.63072501224544 0.95767627195778 118.710 > 30 121 Sn 0.36461306699822 0.11927498775456 0.45767627195778 118.710 > 31 122 Sn 0.86461306699822 0.11927498775456 0.45767627195778 118.710 > 31 123 Sn 0.36461306699822 0.61927498775456 0.45767627195778 118.710 > 31 124 Sn 0.86461306699822 0.61927498775456 0.45767627195778 118.710 > 31 125 Sn 0.13538693300178 0.36927498775456 0.04232372804222 118.710 > 32 126 Sn 0.63538693300178 0.36927498775456 0.04232372804222 118.710 > 32 127 Sn 0.13538693300178 0.86927498775456 0.04232372804222 118.710 > 32 128 Sn 0.63538693300178 0.86927498775456 0.04232372804222 118.710 > 32 *129 Tl 0.09246156499568 0.12010471642243 0.26406681069281 204.383 > 33 130 Tl 0.59246156499568 0.12010471642243 0.26406681069281 204.383 > 33 131 Tl 0.09246156499568 0.62010471642243 0.26406681069281 204.383 > 33 132 Tl 0.59246156499568 0.62010471642243 0.26406681069281 204.383 > 33 133 Tl 0.40753843500432 0.37010471642243 0.23593318930719 204.383 > 34 134 Tl 0.90753843500432 0.37010471642243 0.23593318930719 204.383 > 34 135 Tl 0.40753843500432 0.87010471642243 0.23593318930719 204.383 > 34 136 Tl 0.90753843500432 0.87010471642243 0.23593318930719 204.383 > 34 137 Tl 0.40753843500432 0.37989528357757 0.73593318930719 204.383 > 35 138 Tl 0.90753843500432 0.37989528357757 0.73593318930719 204.383 > 35 139 Tl 0.40753843500432 0.87989528357757 0.73593318930719 204.383 > 35 140 Tl 0.90753843500432 0.87989528357757 0.73593318930719 204.383 > 35 141 Tl 0.09246156499568 0.12989528357757 0.76406681069281 204.383 > 36 142 Tl 0.59246156499568 0.12989528357757 0.76406681069281 204.383 > 36 143 Tl 0.09246156499568 0.62989528357757 0.76406681069281 204.383 > 36 144 Tl 0.59246156499568 0.62989528357757 0.76406681069281 204.383 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8920666 0.0000000 -0.0014365 0.0000000 2.8905909 0.0000000 -0.0014272 0.0000000 2.8989364 -------------------------- Born effective charges -------------------------- 1 F -0.6888311 -0.1430197 0.0951737 -0.1508927 -1.2892094 0.5520874 0.1471588 0.6317889 -1.3348253 2 F -0.6888311 0.1430197 0.0951737 0.1508927 -1.2892094 -0.5520874 0.1471588 -0.6317889 -1.3348253 3 F -0.6888311 -0.1430197 0.0951737 -0.1508927 -1.2892094 0.5520874 0.1471588 0.6317889 -1.3348253 4 F -0.6888311 0.1430197 0.0951737 0.1508927 -1.2892094 -0.5520874 0.1471588 -0.6317889 -1.3348253 5 F -0.7415347 -0.1396721 0.1649811 -0.2321500 -1.2240024 0.5826759 0.2051803 0.5827842 -1.3149068 6 F -0.7415347 0.1396721 0.1649811 0.2321500 -1.2240024 -0.5826759 0.2051803 -0.5827842 -1.3149068 7 F -0.7415347 -0.1396721 0.1649811 -0.2321500 -1.2240024 0.5826759 0.2051803 0.5827842 -1.3149068 8 F -0.7415347 0.1396721 0.1649811 0.2321500 -1.2240024 -0.5826759 0.2051803 -0.5827842 -1.3149068 9 F -1.9974881 0.0478493 -0.7434062 -0.0086758 -0.6502444 0.0373970 -0.7383040 0.0069289 -1.0605450 10 F -1.9974881 -0.0478493 -0.7434062 0.0086758 -0.6502444 -0.0373970 -0.7383040 -0.0069289 -1.0605450 11 F -1.9974881 0.0478493 -0.7434062 -0.0086758 -0.6502444 0.0373970 -0.7383040 0.0069289 -1.0605450 12 F -1.9974881 -0.0478493 -0.7434062 0.0086758 -0.6502444 -0.0373970 -0.7383040 -0.0069289 -1.0605450 13 F -1.0197157 -0.0069553 -0.3114088 0.0551752 -0.6683928 0.0618754 -0.4647269 0.0021506 -1.3542733 14 F -1.0197157 0.0069553 -0.3114088 -0.0551752 -0.6683928 -0.0618754 -0.4647269 -0.0021506 -1.3542733 15 F -1.0197157 -0.0069553 -0.3114088 0.0551752 -0.6683928 0.0618754 -0.4647269 0.0021506 -1.3542733 16 F -1.0197157 0.0069553 -0.3114088 -0.0551752 -0.6683928 -0.0618754 -0.4647269 -0.0021506 -1.3542733 17 F -1.0114019 0.4733984 0.4658653 0.4374881 -1.2586252 -0.5659495 0.4169687 -0.5361237 -1.2329387 18 F -1.0114019 -0.4733984 0.4658653 -0.4374881 -1.2586252 0.5659495 0.4169687 0.5361237 -1.2329387 19 F -1.0114019 0.4733984 0.4658653 0.4374881 -1.2586252 -0.5659495 0.4169687 -0.5361237 -1.2329387 20 F -1.0114019 -0.4733984 0.4658653 -0.4374881 -1.2586252 0.5659495 0.4169687 0.5361237 -1.2329387 21 F -1.0069224 0.4734355 0.4053262 0.3729820 -1.3071222 -0.4975546 0.3328751 -0.5336820 -1.0990412 22 F -1.0069224 -0.4734355 0.4053262 -0.3729820 -1.3071222 0.4975546 0.3328751 0.5336820 -1.0990412 23 F -1.0069224 0.4734355 0.4053262 0.3729820 -1.3071222 -0.4975546 0.3328751 -0.5336820 -1.0990412 24 F -1.0069224 -0.4734355 0.4053262 -0.3729820 -1.3071222 0.4975546 0.3328751 0.5336820 -1.0990412 25 F -1.2683598 -0.5328219 -0.0751325 -0.7459464 -1.3839994 -0.0638139 -0.0388004 -0.0227789 -0.6789172 26 F -1.2683598 0.5328219 -0.0751325 0.7459464 -1.3839994 0.0638139 -0.0388004 0.0227789 -0.6789172 27 F -1.2683598 -0.5328219 -0.0751325 -0.7459464 -1.3839994 -0.0638139 -0.0388004 -0.0227789 -0.6789172 28 F -1.2683598 0.5328219 -0.0751325 0.7459464 -1.3839994 0.0638139 -0.0388004 0.0227789 -0.6789172 29 Sn 3.9723953 0.2189485 -0.1603264 -0.2089839 4.0061027 0.2636221 0.1813459 -0.2704514 4.2600038 30 Sn 3.9723953 -0.2189485 -0.1603264 0.2089839 4.0061027 -0.2636221 0.1813459 0.2704514 4.2600038 31 Sn 3.9723953 0.2189485 -0.1603264 -0.2089839 4.0061027 0.2636221 0.1813459 -0.2704514 4.2600038 32 Sn 3.9723953 -0.2189485 -0.1603264 0.2089839 4.0061027 -0.2636221 0.1813459 0.2704514 4.2600038 33 Tl 3.7618584 0.2222277 0.1589276 -0.2314350 3.7754931 0.0942933 -0.0416975 0.0210638 3.8154438 34 Tl 3.7618584 -0.2222277 0.1589276 0.2314350 3.7754931 -0.0942933 -0.0416975 -0.0210638 3.8154438 35 Tl 3.7618584 0.2222277 0.1589276 -0.2314350 3.7754931 0.0942933 -0.0416975 0.0210638 3.8154438 36 Tl 3.7618584 -0.2222277 0.1589276 0.2314350 3.7754931 -0.0942933 -0.0416975 -0.0210638 3.8154438 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.001 Solver_block: 200 / 1120 - Time: 1.788 Solver_block: 300 / 1120 - Time: 1.777 Solver_block: 400 / 1120 - Time: 1.784 Solver_block: 500 / 1120 - Time: 1.777 Solver_block: 600 / 1120 - Time: 1.790 Solver_block: 700 / 1120 - Time: 1.786 Solver_block: 800 / 1120 - Time: 1.781 Solver_block: 900 / 1120 - Time: 1.784 Solver_block: 1000 / 1120 - Time: 1.785 Solver_block: 1100 / 1120 - Time: 1.781 Solver_block: 1120 / 1120 - Time: 0.521 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.865 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), 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 03:33:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:33:42]------------------------- 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: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.769292164769711 0.000000000000000 0.000000000000000 b 0.000000000000000 5.454698190000000 0.000000000000000 c -5.536220198038408 0.000000000000000 10.590127069384257 Atomic positions (fractional): 1 F 0.26236895358682 0.07970179650248 0.45768447422672 18.998 2 F 0.73763104641318 0.57970179650248 0.04231552577328 18.998 3 F 0.73763104641318 0.92029820349752 0.54231552577328 18.998 4 F 0.26236895358682 0.42029820349752 0.95768447422672 18.998 5 F 0.29320764276025 0.93782845788101 0.91289169409928 18.998 6 F 0.70679235723975 0.43782845788101 0.58710830590072 18.998 7 F 0.70679235723975 0.06217154211899 0.08710830590072 18.998 8 F 0.29320764276025 0.56217154211899 0.41289169409928 18.998 9 F 0.47552794791379 0.29731631045021 0.86769941908961 18.998 10 F 0.52447205208621 0.79731631045021 0.63230058091039 18.998 11 F 0.52447205208621 0.70268368954979 0.13230058091039 18.998 12 F 0.47552794791379 0.20268368954979 0.36769941908961 18.998 13 F 0.98350006109263 0.25586104004773 0.04930796083985 18.998 14 F 0.01649993890737 0.75586104004773 0.45069203916015 18.998 15 F 0.01649993890737 0.74413895995227 0.95069203916015 18.998 16 F 0.98350006109263 0.24413895995227 0.54930796083985 18.998 17 F 0.26683372136317 0.95317686421420 0.68379388498731 18.998 18 F 0.73316627863683 0.45317686421420 0.81620611501269 18.998 19 F 0.73316627863683 0.04682313578580 0.31620611501268 18.998 20 F 0.26683372136317 0.54682313578580 0.18379388498731 18.998 21 F 0.71545622775128 0.96739693479548 0.85585001277712 18.998 22 F 0.28454377224872 0.46739693479548 0.64414998722288 18.998 23 F 0.28454377224872 0.03260306520452 0.14414998722288 18.998 24 F 0.71545622775128 0.53260306520452 0.35585001277712 18.998 25 F 0.04038142183404 0.89408973415534 0.22960673953364 18.998 26 F 0.95961857816596 0.39408973415534 0.27039326046637 18.998 27 F 0.95961857816596 0.10591026584466 0.77039326046637 18.998 28 F 0.04038142183404 0.60591026584466 0.72960673953363 18.998 29 Sn 0.27077386600357 0.76145002449087 0.54232372804222 118.710 30 Sn 0.72922613399643 0.26145002449087 0.95767627195778 118.710 31 Sn 0.72922613399643 0.23854997550913 0.45767627195778 118.710 32 Sn 0.27077386600357 0.73854997550913 0.04232372804222 118.710 33 Tl 0.18492312999137 0.24020943284486 0.26406681069281 204.383 34 Tl 0.81507687000863 0.74020943284486 0.23593318930719 204.383 35 Tl 0.81507687000863 0.75979056715514 0.73593318930719 204.383 36 Tl 0.18492312999137 0.25979056715514 0.76406681069281 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.538584329539422 0.000000000000000 0.000000000000000 b 0.000000000000000 10.909396380000000 0.000000000000000 c -5.536220198038408 0.000000000000000 10.590127069384257 Atomic positions (fractional): 1 F 0.13118447679341 0.03985089825124 0.45768447422672 18.998 > 1 2 F 0.63118447679341 0.03985089825124 0.45768447422672 18.998 > 1 3 F 0.13118447679341 0.53985089825124 0.45768447422672 18.998 > 1 4 F 0.63118447679341 0.53985089825124 0.45768447422672 18.998 > 1 5 F 0.36881552320659 0.28985089825124 0.04231552577328 18.998 > 5 6 F 0.86881552320659 0.28985089825124 0.04231552577328 18.998 > 5 7 F 0.36881552320659 0.78985089825124 0.04231552577328 18.998 > 5 8 F 0.86881552320659 0.78985089825124 0.04231552577328 18.998 > 5 9 F 0.36881552320659 0.46014910174876 0.54231552577328 18.998 > 9 10 F 0.86881552320659 0.46014910174876 0.54231552577328 18.998 > 9 11 F 0.36881552320659 0.96014910174876 0.54231552577328 18.998 > 9 12 F 0.86881552320659 0.96014910174876 0.54231552577328 18.998 > 9 13 F 0.13118447679341 0.21014910174876 0.95768447422672 18.998 > 13 14 F 0.63118447679341 0.21014910174876 0.95768447422672 18.998 > 13 15 F 0.13118447679341 0.71014910174876 0.95768447422672 18.998 > 13 16 F 0.63118447679341 0.71014910174876 0.95768447422672 18.998 > 13 17 F 0.14660382138013 0.46891422894051 0.91289169409928 18.998 > 17 18 F 0.64660382138013 0.46891422894051 0.91289169409928 18.998 > 17 19 F 0.14660382138013 0.96891422894051 0.91289169409928 18.998 > 17 20 F 0.64660382138013 0.96891422894051 0.91289169409928 18.998 > 17 21 F 0.35339617861987 0.21891422894051 0.58710830590072 18.998 > 21 22 F 0.85339617861987 0.21891422894051 0.58710830590072 18.998 > 21 23 F 0.35339617861987 0.71891422894051 0.58710830590072 18.998 > 21 24 F 0.85339617861987 0.71891422894051 0.58710830590072 18.998 > 21 25 F 0.35339617861987 0.03108577105949 0.08710830590072 18.998 > 25 26 F 0.85339617861987 0.03108577105949 0.08710830590072 18.998 > 25 27 F 0.35339617861987 0.53108577105949 0.08710830590072 18.998 > 25 28 F 0.85339617861987 0.53108577105949 0.08710830590072 18.998 > 25 29 F 0.14660382138013 0.28108577105949 0.41289169409928 18.998 > 29 30 F 0.64660382138013 0.28108577105949 0.41289169409928 18.998 > 29 31 F 0.14660382138013 0.78108577105949 0.41289169409928 18.998 > 29 32 F 0.64660382138013 0.78108577105949 0.41289169409928 18.998 > 29 33 F 0.23776397395689 0.14865815522511 0.86769941908961 18.998 > 33 34 F 0.73776397395689 0.14865815522511 0.86769941908961 18.998 > 33 35 F 0.23776397395689 0.64865815522511 0.86769941908961 18.998 > 33 36 F 0.73776397395689 0.64865815522511 0.86769941908961 18.998 > 33 37 F 0.26223602604311 0.39865815522511 0.63230058091039 18.998 > 37 38 F 0.76223602604311 0.39865815522511 0.63230058091039 18.998 > 37 39 F 0.26223602604311 0.89865815522511 0.63230058091039 18.998 > 37 40 F 0.76223602604311 0.89865815522511 0.63230058091039 18.998 > 37 41 F 0.26223602604311 0.35134184477489 0.13230058091039 18.998 > 41 42 F 0.76223602604311 0.35134184477489 0.13230058091039 18.998 > 41 43 F 0.26223602604311 0.85134184477489 0.13230058091039 18.998 > 41 44 F 0.76223602604311 0.85134184477489 0.13230058091039 18.998 > 41 45 F 0.23776397395689 0.10134184477489 0.36769941908961 18.998 > 45 46 F 0.73776397395689 0.10134184477489 0.36769941908961 18.998 > 45 47 F 0.23776397395689 0.60134184477489 0.36769941908961 18.998 > 45 48 F 0.73776397395689 0.60134184477489 0.36769941908961 18.998 > 45 49 F 0.49175003054631 0.12793052002387 0.04930796083985 18.998 > 49 50 F 0.99175003054631 0.12793052002387 0.04930796083985 18.998 > 49 51 F 0.49175003054631 0.62793052002387 0.04930796083985 18.998 > 49 52 F 0.99175003054631 0.62793052002387 0.04930796083985 18.998 > 49 53 F 0.00824996945369 0.37793052002387 0.45069203916015 18.998 > 53 54 F 0.50824996945368 0.37793052002387 0.45069203916015 18.998 > 53 55 F 0.00824996945369 0.87793052002387 0.45069203916015 18.998 > 53 56 F 0.50824996945368 0.87793052002387 0.45069203916015 18.998 > 53 57 F 0.00824996945369 0.37206947997613 0.95069203916015 18.998 > 57 58 F 0.50824996945368 0.37206947997613 0.95069203916015 18.998 > 57 59 F 0.00824996945369 0.87206947997613 0.95069203916015 18.998 > 57 60 F 0.50824996945368 0.87206947997613 0.95069203916015 18.998 > 57 61 F 0.49175003054631 0.12206947997613 0.54930796083985 18.998 > 61 62 F 0.99175003054631 0.12206947997613 0.54930796083985 18.998 > 61 63 F 0.49175003054631 0.62206947997613 0.54930796083985 18.998 > 61 64 F 0.99175003054631 0.62206947997613 0.54930796083985 18.998 > 61 65 F 0.13341686068159 0.47658843210710 0.68379388498731 18.998 > 65 66 F 0.63341686068159 0.47658843210710 0.68379388498731 18.998 > 65 67 F 0.13341686068159 0.97658843210710 0.68379388498731 18.998 > 65 68 F 0.63341686068159 0.97658843210710 0.68379388498731 18.998 > 65 69 F 0.36658313931841 0.22658843210710 0.81620611501269 18.998 > 69 70 F 0.86658313931841 0.22658843210710 0.81620611501269 18.998 > 69 71 F 0.36658313931841 0.72658843210710 0.81620611501269 18.998 > 69 72 F 0.86658313931841 0.72658843210710 0.81620611501269 18.998 > 69 73 F 0.36658313931841 0.02341156789290 0.31620611501268 18.998 > 73 74 F 0.86658313931841 0.02341156789290 0.31620611501268 18.998 > 73 75 F 0.36658313931841 0.52341156789290 0.31620611501268 18.998 > 73 76 F 0.86658313931841 0.52341156789290 0.31620611501268 18.998 > 73 77 F 0.13341686068159 0.27341156789290 0.18379388498731 18.998 > 77 78 F 0.63341686068159 0.27341156789290 0.18379388498731 18.998 > 77 79 F 0.13341686068159 0.77341156789290 0.18379388498731 18.998 > 77 80 F 0.63341686068159 0.77341156789290 0.18379388498731 18.998 > 77 81 F 0.35772811387564 0.48369846739774 0.85585001277712 18.998 > 81 82 F 0.85772811387564 0.48369846739774 0.85585001277712 18.998 > 81 83 F 0.35772811387564 0.98369846739774 0.85585001277712 18.998 > 81 84 F 0.85772811387564 0.98369846739774 0.85585001277712 18.998 > 81 85 F 0.14227188612436 0.23369846739774 0.64414998722288 18.998 > 85 86 F 0.64227188612436 0.23369846739774 0.64414998722288 18.998 > 85 87 F 0.14227188612436 0.73369846739774 0.64414998722288 18.998 > 85 88 F 0.64227188612436 0.73369846739774 0.64414998722288 18.998 > 85 89 F 0.14227188612436 0.01630153260226 0.14414998722288 18.998 > 89 90 F 0.64227188612436 0.01630153260226 0.14414998722288 18.998 > 89 91 F 0.14227188612436 0.51630153260226 0.14414998722288 18.998 > 89 92 F 0.64227188612436 0.51630153260226 0.14414998722288 18.998 > 89 93 F 0.35772811387564 0.26630153260226 0.35585001277712 18.998 > 93 94 F 0.85772811387564 0.26630153260226 0.35585001277712 18.998 > 93 95 F 0.35772811387564 0.76630153260226 0.35585001277712 18.998 > 93 96 F 0.85772811387564 0.76630153260226 0.35585001277712 18.998 > 93 97 F 0.02019071091702 0.44704486707767 0.22960673953364 18.998 > 97 98 F 0.52019071091702 0.44704486707767 0.22960673953364 18.998 > 97 99 F 0.02019071091702 0.94704486707767 0.22960673953364 18.998 > 97 100 F 0.52019071091702 0.94704486707767 0.22960673953364 18.998 > 97 101 F 0.47980928908298 0.19704486707767 0.27039326046637 18.998 > 101 102 F 0.97980928908298 0.19704486707767 0.27039326046637 18.998 > 101 103 F 0.47980928908298 0.69704486707767 0.27039326046637 18.998 > 101 104 F 0.97980928908298 0.69704486707767 0.27039326046637 18.998 > 101 105 F 0.47980928908298 0.05295513292233 0.77039326046637 18.998 > 105 106 F 0.97980928908298 0.05295513292233 0.77039326046637 18.998 > 105 107 F 0.47980928908298 0.55295513292233 0.77039326046637 18.998 > 105 108 F 0.97980928908298 0.55295513292233 0.77039326046637 18.998 > 105 109 F 0.02019071091702 0.30295513292233 0.72960673953363 18.998 > 109 110 F 0.52019071091702 0.30295513292233 0.72960673953363 18.998 > 109 111 F 0.02019071091702 0.80295513292233 0.72960673953363 18.998 > 109 112 F 0.52019071091702 0.80295513292233 0.72960673953363 18.998 > 109 113 Sn 0.13538693300178 0.38072501224544 0.54232372804222 118.710 > 113 114 Sn 0.63538693300178 0.38072501224544 0.54232372804222 118.710 > 113 115 Sn 0.13538693300178 0.88072501224544 0.54232372804222 118.710 > 113 116 Sn 0.63538693300178 0.88072501224544 0.54232372804222 118.710 > 113 117 Sn 0.36461306699822 0.13072501224544 0.95767627195778 118.710 > 117 118 Sn 0.86461306699822 0.13072501224544 0.95767627195778 118.710 > 117 119 Sn 0.36461306699822 0.63072501224544 0.95767627195778 118.710 > 117 120 Sn 0.86461306699822 0.63072501224544 0.95767627195778 118.710 > 117 121 Sn 0.36461306699822 0.11927498775456 0.45767627195778 118.710 > 121 122 Sn 0.86461306699822 0.11927498775456 0.45767627195778 118.710 > 121 123 Sn 0.36461306699822 0.61927498775456 0.45767627195778 118.710 > 121 124 Sn 0.86461306699822 0.61927498775456 0.45767627195778 118.710 > 121 125 Sn 0.13538693300178 0.36927498775456 0.04232372804222 118.710 > 125 126 Sn 0.63538693300178 0.36927498775456 0.04232372804222 118.710 > 125 127 Sn 0.13538693300178 0.86927498775456 0.04232372804222 118.710 > 125 128 Sn 0.63538693300178 0.86927498775456 0.04232372804222 118.710 > 125 129 Tl 0.09246156499568 0.12010471642243 0.26406681069281 204.383 > 129 130 Tl 0.59246156499568 0.12010471642243 0.26406681069281 204.383 > 129 131 Tl 0.09246156499568 0.62010471642243 0.26406681069281 204.383 > 129 132 Tl 0.59246156499568 0.62010471642243 0.26406681069281 204.383 > 129 133 Tl 0.40753843500432 0.37010471642243 0.23593318930719 204.383 > 133 134 Tl 0.90753843500432 0.37010471642243 0.23593318930719 204.383 > 133 135 Tl 0.40753843500432 0.87010471642243 0.23593318930719 204.383 > 133 136 Tl 0.90753843500432 0.87010471642243 0.23593318930719 204.383 > 133 137 Tl 0.40753843500432 0.37989528357757 0.73593318930719 204.383 > 137 138 Tl 0.90753843500432 0.37989528357757 0.73593318930719 204.383 > 137 139 Tl 0.40753843500432 0.87989528357757 0.73593318930719 204.383 > 137 140 Tl 0.90753843500432 0.87989528357757 0.73593318930719 204.383 > 137 141 Tl 0.09246156499568 0.12989528357757 0.76406681069281 204.383 > 141 142 Tl 0.59246156499568 0.12989528357757 0.76406681069281 204.383 > 141 143 Tl 0.09246156499568 0.62989528357757 0.76406681069281 204.383 > 141 144 Tl 0.59246156499568 0.62989528357757 0.76406681069281 204.383 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8920666 0.0000000 -0.0014365 0.0000000 2.8905909 0.0000000 -0.0014272 0.0000000 2.8989364 -------------------------- Born effective charges -------------------------- 1 F -0.6888311 -0.1430197 0.0951737 -0.1508927 -1.2892094 0.5520874 0.1471588 0.6317889 -1.3348253 2 F -0.6888311 0.1430197 0.0951737 0.1508927 -1.2892094 -0.5520874 0.1471588 -0.6317889 -1.3348253 3 F -0.6888311 -0.1430197 0.0951737 -0.1508927 -1.2892094 0.5520874 0.1471588 0.6317889 -1.3348253 4 F -0.6888311 0.1430197 0.0951737 0.1508927 -1.2892094 -0.5520874 0.1471588 -0.6317889 -1.3348253 5 F -0.7415347 -0.1396721 0.1649811 -0.2321500 -1.2240024 0.5826759 0.2051803 0.5827842 -1.3149068 6 F -0.7415347 0.1396721 0.1649811 0.2321500 -1.2240024 -0.5826759 0.2051803 -0.5827842 -1.3149068 7 F -0.7415347 -0.1396721 0.1649811 -0.2321500 -1.2240024 0.5826759 0.2051803 0.5827842 -1.3149068 8 F -0.7415347 0.1396721 0.1649811 0.2321500 -1.2240024 -0.5826759 0.2051803 -0.5827842 -1.3149068 9 F -1.9974881 0.0478493 -0.7434062 -0.0086758 -0.6502444 0.0373970 -0.7383040 0.0069289 -1.0605450 10 F -1.9974881 -0.0478493 -0.7434062 0.0086758 -0.6502444 -0.0373970 -0.7383040 -0.0069289 -1.0605450 11 F -1.9974881 0.0478493 -0.7434062 -0.0086758 -0.6502444 0.0373970 -0.7383040 0.0069289 -1.0605450 12 F -1.9974881 -0.0478493 -0.7434062 0.0086758 -0.6502444 -0.0373970 -0.7383040 -0.0069289 -1.0605450 13 F -1.0197157 -0.0069553 -0.3114088 0.0551752 -0.6683928 0.0618754 -0.4647269 0.0021506 -1.3542733 14 F -1.0197157 0.0069553 -0.3114088 -0.0551752 -0.6683928 -0.0618754 -0.4647269 -0.0021506 -1.3542733 15 F -1.0197157 -0.0069553 -0.3114088 0.0551752 -0.6683928 0.0618754 -0.4647269 0.0021506 -1.3542733 16 F -1.0197157 0.0069553 -0.3114088 -0.0551752 -0.6683928 -0.0618754 -0.4647269 -0.0021506 -1.3542733 17 F -1.0114019 0.4733984 0.4658653 0.4374881 -1.2586252 -0.5659495 0.4169687 -0.5361237 -1.2329387 18 F -1.0114019 -0.4733984 0.4658653 -0.4374881 -1.2586252 0.5659495 0.4169687 0.5361237 -1.2329387 19 F -1.0114019 0.4733984 0.4658653 0.4374881 -1.2586252 -0.5659495 0.4169687 -0.5361237 -1.2329387 20 F -1.0114019 -0.4733984 0.4658653 -0.4374881 -1.2586252 0.5659495 0.4169687 0.5361237 -1.2329387 21 F -1.0069224 0.4734355 0.4053262 0.3729820 -1.3071222 -0.4975546 0.3328751 -0.5336820 -1.0990412 22 F -1.0069224 -0.4734355 0.4053262 -0.3729820 -1.3071222 0.4975546 0.3328751 0.5336820 -1.0990412 23 F -1.0069224 0.4734355 0.4053262 0.3729820 -1.3071222 -0.4975546 0.3328751 -0.5336820 -1.0990412 24 F -1.0069224 -0.4734355 0.4053262 -0.3729820 -1.3071222 0.4975546 0.3328751 0.5336820 -1.0990412 25 F -1.2683598 -0.5328219 -0.0751325 -0.7459464 -1.3839994 -0.0638139 -0.0388004 -0.0227789 -0.6789172 26 F -1.2683598 0.5328219 -0.0751325 0.7459464 -1.3839994 0.0638139 -0.0388004 0.0227789 -0.6789172 27 F -1.2683598 -0.5328219 -0.0751325 -0.7459464 -1.3839994 -0.0638139 -0.0388004 -0.0227789 -0.6789172 28 F -1.2683598 0.5328219 -0.0751325 0.7459464 -1.3839994 0.0638139 -0.0388004 0.0227789 -0.6789172 29 Sn 3.9723953 0.2189485 -0.1603264 -0.2089839 4.0061027 0.2636221 0.1813459 -0.2704514 4.2600038 30 Sn 3.9723953 -0.2189485 -0.1603264 0.2089839 4.0061027 -0.2636221 0.1813459 0.2704514 4.2600038 31 Sn 3.9723953 0.2189485 -0.1603264 -0.2089839 4.0061027 0.2636221 0.1813459 -0.2704514 4.2600038 32 Sn 3.9723953 -0.2189485 -0.1603264 0.2089839 4.0061027 -0.2636221 0.1813459 0.2704514 4.2600038 33 Tl 3.7618584 0.2222277 0.1589276 -0.2314350 3.7754931 0.0942933 -0.0416975 0.0210638 3.8154438 34 Tl 3.7618584 -0.2222277 0.1589276 0.2314350 3.7754931 -0.0942933 -0.0416975 -0.0210638 3.8154438 35 Tl 3.7618584 0.2222277 0.1589276 -0.2314350 3.7754931 0.0942933 -0.0416975 0.0210638 3.8154438 36 Tl 3.7618584 -0.2222277 0.1589276 0.2314350 3.7754931 -0.0942933 -0.0416975 -0.0210638 3.8154438 ---------------------------------------------------------------------------- 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 97, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 113, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 129, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxz) -0.00000001 (xxz) -0.00000001 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:34:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:34:44]------------------------- 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 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.769292164769711 0.000000000000000 0.000000000000000 b 0.000000000000000 5.454698190000000 0.000000000000000 c -5.536220198038408 0.000000000000000 10.590127069384257 Atomic positions (fractional): 1 F 0.26236895358682 0.07970179650248 0.45768447422672 18.998 2 F 0.73763104641318 0.57970179650248 0.04231552577328 18.998 3 F 0.73763104641318 0.92029820349752 0.54231552577328 18.998 4 F 0.26236895358682 0.42029820349752 0.95768447422672 18.998 5 F 0.29320764276025 0.93782845788101 0.91289169409928 18.998 6 F 0.70679235723975 0.43782845788101 0.58710830590072 18.998 7 F 0.70679235723975 0.06217154211899 0.08710830590072 18.998 8 F 0.29320764276025 0.56217154211899 0.41289169409928 18.998 9 F 0.47552794791379 0.29731631045021 0.86769941908961 18.998 10 F 0.52447205208621 0.79731631045021 0.63230058091039 18.998 11 F 0.52447205208621 0.70268368954979 0.13230058091039 18.998 12 F 0.47552794791379 0.20268368954979 0.36769941908961 18.998 13 F 0.98350006109263 0.25586104004773 0.04930796083985 18.998 14 F 0.01649993890737 0.75586104004773 0.45069203916015 18.998 15 F 0.01649993890737 0.74413895995227 0.95069203916015 18.998 16 F 0.98350006109263 0.24413895995227 0.54930796083985 18.998 17 F 0.26683372136317 0.95317686421420 0.68379388498731 18.998 18 F 0.73316627863683 0.45317686421420 0.81620611501269 18.998 19 F 0.73316627863683 0.04682313578580 0.31620611501268 18.998 20 F 0.26683372136317 0.54682313578580 0.18379388498731 18.998 21 F 0.71545622775128 0.96739693479548 0.85585001277712 18.998 22 F 0.28454377224872 0.46739693479548 0.64414998722288 18.998 23 F 0.28454377224872 0.03260306520452 0.14414998722288 18.998 24 F 0.71545622775128 0.53260306520452 0.35585001277712 18.998 25 F 0.04038142183404 0.89408973415534 0.22960673953364 18.998 26 F 0.95961857816596 0.39408973415534 0.27039326046637 18.998 27 F 0.95961857816596 0.10591026584466 0.77039326046637 18.998 28 F 0.04038142183404 0.60591026584466 0.72960673953363 18.998 29 Sn 0.27077386600357 0.76145002449087 0.54232372804222 118.710 30 Sn 0.72922613399643 0.26145002449087 0.95767627195778 118.710 31 Sn 0.72922613399643 0.23854997550913 0.45767627195778 118.710 32 Sn 0.27077386600357 0.73854997550913 0.04232372804222 118.710 33 Tl 0.18492312999137 0.24020943284486 0.26406681069281 204.383 34 Tl 0.81507687000863 0.74020943284486 0.23593318930719 204.383 35 Tl 0.81507687000863 0.75979056715514 0.73593318930719 204.383 36 Tl 0.18492312999137 0.25979056715514 0.76406681069281 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.538584329539422 0.000000000000000 0.000000000000000 b 0.000000000000000 10.909396380000000 0.000000000000000 c -5.536220198038408 0.000000000000000 10.590127069384257 Atomic positions (fractional): 1 F 0.13118447679341 0.03985089825124 0.45768447422672 18.998 > 1 2 F 0.63118447679341 0.03985089825124 0.45768447422672 18.998 > 1 3 F 0.13118447679341 0.53985089825124 0.45768447422672 18.998 > 1 4 F 0.63118447679341 0.53985089825124 0.45768447422672 18.998 > 1 5 F 0.36881552320659 0.28985089825124 0.04231552577328 18.998 > 5 6 F 0.86881552320659 0.28985089825124 0.04231552577328 18.998 > 5 7 F 0.36881552320659 0.78985089825124 0.04231552577328 18.998 > 5 8 F 0.86881552320659 0.78985089825124 0.04231552577328 18.998 > 5 9 F 0.36881552320659 0.46014910174876 0.54231552577328 18.998 > 9 10 F 0.86881552320659 0.46014910174876 0.54231552577328 18.998 > 9 11 F 0.36881552320659 0.96014910174876 0.54231552577328 18.998 > 9 12 F 0.86881552320659 0.96014910174876 0.54231552577328 18.998 > 9 13 F 0.13118447679341 0.21014910174876 0.95768447422672 18.998 > 13 14 F 0.63118447679341 0.21014910174876 0.95768447422672 18.998 > 13 15 F 0.13118447679341 0.71014910174876 0.95768447422672 18.998 > 13 16 F 0.63118447679341 0.71014910174876 0.95768447422672 18.998 > 13 17 F 0.14660382138013 0.46891422894051 0.91289169409928 18.998 > 17 18 F 0.64660382138013 0.46891422894051 0.91289169409928 18.998 > 17 19 F 0.14660382138013 0.96891422894051 0.91289169409928 18.998 > 17 20 F 0.64660382138013 0.96891422894051 0.91289169409928 18.998 > 17 21 F 0.35339617861987 0.21891422894051 0.58710830590072 18.998 > 21 22 F 0.85339617861987 0.21891422894051 0.58710830590072 18.998 > 21 23 F 0.35339617861987 0.71891422894051 0.58710830590072 18.998 > 21 24 F 0.85339617861987 0.71891422894051 0.58710830590072 18.998 > 21 25 F 0.35339617861987 0.03108577105949 0.08710830590072 18.998 > 25 26 F 0.85339617861987 0.03108577105949 0.08710830590072 18.998 > 25 27 F 0.35339617861987 0.53108577105949 0.08710830590072 18.998 > 25 28 F 0.85339617861987 0.53108577105949 0.08710830590072 18.998 > 25 29 F 0.14660382138013 0.28108577105949 0.41289169409928 18.998 > 29 30 F 0.64660382138013 0.28108577105949 0.41289169409928 18.998 > 29 31 F 0.14660382138013 0.78108577105949 0.41289169409928 18.998 > 29 32 F 0.64660382138013 0.78108577105949 0.41289169409928 18.998 > 29 33 F 0.23776397395689 0.14865815522511 0.86769941908961 18.998 > 33 34 F 0.73776397395689 0.14865815522511 0.86769941908961 18.998 > 33 35 F 0.23776397395689 0.64865815522511 0.86769941908961 18.998 > 33 36 F 0.73776397395689 0.64865815522511 0.86769941908961 18.998 > 33 37 F 0.26223602604311 0.39865815522511 0.63230058091039 18.998 > 37 38 F 0.76223602604311 0.39865815522511 0.63230058091039 18.998 > 37 39 F 0.26223602604311 0.89865815522511 0.63230058091039 18.998 > 37 40 F 0.76223602604311 0.89865815522511 0.63230058091039 18.998 > 37 41 F 0.26223602604311 0.35134184477489 0.13230058091039 18.998 > 41 42 F 0.76223602604311 0.35134184477489 0.13230058091039 18.998 > 41 43 F 0.26223602604311 0.85134184477489 0.13230058091039 18.998 > 41 44 F 0.76223602604311 0.85134184477489 0.13230058091039 18.998 > 41 45 F 0.23776397395689 0.10134184477489 0.36769941908961 18.998 > 45 46 F 0.73776397395689 0.10134184477489 0.36769941908961 18.998 > 45 47 F 0.23776397395689 0.60134184477489 0.36769941908961 18.998 > 45 48 F 0.73776397395689 0.60134184477489 0.36769941908961 18.998 > 45 49 F 0.49175003054631 0.12793052002387 0.04930796083985 18.998 > 49 50 F 0.99175003054631 0.12793052002387 0.04930796083985 18.998 > 49 51 F 0.49175003054631 0.62793052002387 0.04930796083985 18.998 > 49 52 F 0.99175003054631 0.62793052002387 0.04930796083985 18.998 > 49 53 F 0.00824996945369 0.37793052002387 0.45069203916015 18.998 > 53 54 F 0.50824996945368 0.37793052002387 0.45069203916015 18.998 > 53 55 F 0.00824996945369 0.87793052002387 0.45069203916015 18.998 > 53 56 F 0.50824996945368 0.87793052002387 0.45069203916015 18.998 > 53 57 F 0.00824996945369 0.37206947997613 0.95069203916015 18.998 > 57 58 F 0.50824996945368 0.37206947997613 0.95069203916015 18.998 > 57 59 F 0.00824996945369 0.87206947997613 0.95069203916015 18.998 > 57 60 F 0.50824996945368 0.87206947997613 0.95069203916015 18.998 > 57 61 F 0.49175003054631 0.12206947997613 0.54930796083985 18.998 > 61 62 F 0.99175003054631 0.12206947997613 0.54930796083985 18.998 > 61 63 F 0.49175003054631 0.62206947997613 0.54930796083985 18.998 > 61 64 F 0.99175003054631 0.62206947997613 0.54930796083985 18.998 > 61 65 F 0.13341686068159 0.47658843210710 0.68379388498731 18.998 > 65 66 F 0.63341686068159 0.47658843210710 0.68379388498731 18.998 > 65 67 F 0.13341686068159 0.97658843210710 0.68379388498731 18.998 > 65 68 F 0.63341686068159 0.97658843210710 0.68379388498731 18.998 > 65 69 F 0.36658313931841 0.22658843210710 0.81620611501269 18.998 > 69 70 F 0.86658313931841 0.22658843210710 0.81620611501269 18.998 > 69 71 F 0.36658313931841 0.72658843210710 0.81620611501269 18.998 > 69 72 F 0.86658313931841 0.72658843210710 0.81620611501269 18.998 > 69 73 F 0.36658313931841 0.02341156789290 0.31620611501268 18.998 > 73 74 F 0.86658313931841 0.02341156789290 0.31620611501268 18.998 > 73 75 F 0.36658313931841 0.52341156789290 0.31620611501268 18.998 > 73 76 F 0.86658313931841 0.52341156789290 0.31620611501268 18.998 > 73 77 F 0.13341686068159 0.27341156789290 0.18379388498731 18.998 > 77 78 F 0.63341686068159 0.27341156789290 0.18379388498731 18.998 > 77 79 F 0.13341686068159 0.77341156789290 0.18379388498731 18.998 > 77 80 F 0.63341686068159 0.77341156789290 0.18379388498731 18.998 > 77 81 F 0.35772811387564 0.48369846739774 0.85585001277712 18.998 > 81 82 F 0.85772811387564 0.48369846739774 0.85585001277712 18.998 > 81 83 F 0.35772811387564 0.98369846739774 0.85585001277712 18.998 > 81 84 F 0.85772811387564 0.98369846739774 0.85585001277712 18.998 > 81 85 F 0.14227188612436 0.23369846739774 0.64414998722288 18.998 > 85 86 F 0.64227188612436 0.23369846739774 0.64414998722288 18.998 > 85 87 F 0.14227188612436 0.73369846739774 0.64414998722288 18.998 > 85 88 F 0.64227188612436 0.73369846739774 0.64414998722288 18.998 > 85 89 F 0.14227188612436 0.01630153260226 0.14414998722288 18.998 > 89 90 F 0.64227188612436 0.01630153260226 0.14414998722288 18.998 > 89 91 F 0.14227188612436 0.51630153260226 0.14414998722288 18.998 > 89 92 F 0.64227188612436 0.51630153260226 0.14414998722288 18.998 > 89 93 F 0.35772811387564 0.26630153260226 0.35585001277712 18.998 > 93 94 F 0.85772811387564 0.26630153260226 0.35585001277712 18.998 > 93 95 F 0.35772811387564 0.76630153260226 0.35585001277712 18.998 > 93 96 F 0.85772811387564 0.76630153260226 0.35585001277712 18.998 > 93 97 F 0.02019071091702 0.44704486707767 0.22960673953364 18.998 > 97 98 F 0.52019071091702 0.44704486707767 0.22960673953364 18.998 > 97 99 F 0.02019071091702 0.94704486707767 0.22960673953364 18.998 > 97 100 F 0.52019071091702 0.94704486707767 0.22960673953364 18.998 > 97 101 F 0.47980928908298 0.19704486707767 0.27039326046637 18.998 > 101 102 F 0.97980928908298 0.19704486707767 0.27039326046637 18.998 > 101 103 F 0.47980928908298 0.69704486707767 0.27039326046637 18.998 > 101 104 F 0.97980928908298 0.69704486707767 0.27039326046637 18.998 > 101 105 F 0.47980928908298 0.05295513292233 0.77039326046637 18.998 > 105 106 F 0.97980928908298 0.05295513292233 0.77039326046637 18.998 > 105 107 F 0.47980928908298 0.55295513292233 0.77039326046637 18.998 > 105 108 F 0.97980928908298 0.55295513292233 0.77039326046637 18.998 > 105 109 F 0.02019071091702 0.30295513292233 0.72960673953363 18.998 > 109 110 F 0.52019071091702 0.30295513292233 0.72960673953363 18.998 > 109 111 F 0.02019071091702 0.80295513292233 0.72960673953363 18.998 > 109 112 F 0.52019071091702 0.80295513292233 0.72960673953363 18.998 > 109 113 Sn 0.13538693300178 0.38072501224544 0.54232372804222 118.710 > 113 114 Sn 0.63538693300178 0.38072501224544 0.54232372804222 118.710 > 113 115 Sn 0.13538693300178 0.88072501224544 0.54232372804222 118.710 > 113 116 Sn 0.63538693300178 0.88072501224544 0.54232372804222 118.710 > 113 117 Sn 0.36461306699822 0.13072501224544 0.95767627195778 118.710 > 117 118 Sn 0.86461306699822 0.13072501224544 0.95767627195778 118.710 > 117 119 Sn 0.36461306699822 0.63072501224544 0.95767627195778 118.710 > 117 120 Sn 0.86461306699822 0.63072501224544 0.95767627195778 118.710 > 117 121 Sn 0.36461306699822 0.11927498775456 0.45767627195778 118.710 > 121 122 Sn 0.86461306699822 0.11927498775456 0.45767627195778 118.710 > 121 123 Sn 0.36461306699822 0.61927498775456 0.45767627195778 118.710 > 121 124 Sn 0.86461306699822 0.61927498775456 0.45767627195778 118.710 > 121 125 Sn 0.13538693300178 0.36927498775456 0.04232372804222 118.710 > 125 126 Sn 0.63538693300178 0.36927498775456 0.04232372804222 118.710 > 125 127 Sn 0.13538693300178 0.86927498775456 0.04232372804222 118.710 > 125 128 Sn 0.63538693300178 0.86927498775456 0.04232372804222 118.710 > 125 129 Tl 0.09246156499568 0.12010471642243 0.26406681069281 204.383 > 129 130 Tl 0.59246156499568 0.12010471642243 0.26406681069281 204.383 > 129 131 Tl 0.09246156499568 0.62010471642243 0.26406681069281 204.383 > 129 132 Tl 0.59246156499568 0.62010471642243 0.26406681069281 204.383 > 129 133 Tl 0.40753843500432 0.37010471642243 0.23593318930719 204.383 > 133 134 Tl 0.90753843500432 0.37010471642243 0.23593318930719 204.383 > 133 135 Tl 0.40753843500432 0.87010471642243 0.23593318930719 204.383 > 133 136 Tl 0.90753843500432 0.87010471642243 0.23593318930719 204.383 > 133 137 Tl 0.40753843500432 0.37989528357757 0.73593318930719 204.383 > 137 138 Tl 0.90753843500432 0.37989528357757 0.73593318930719 204.383 > 137 139 Tl 0.40753843500432 0.87989528357757 0.73593318930719 204.383 > 137 140 Tl 0.90753843500432 0.87989528357757 0.73593318930719 204.383 > 137 141 Tl 0.09246156499568 0.12989528357757 0.76406681069281 204.383 > 141 142 Tl 0.59246156499568 0.12989528357757 0.76406681069281 204.383 > 141 143 Tl 0.09246156499568 0.62989528357757 0.76406681069281 204.383 > 141 144 Tl 0.59246156499568 0.62989528357757 0.76406681069281 204.383 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8920666 0.0000000 -0.0014365 0.0000000 2.8905909 0.0000000 -0.0014272 0.0000000 2.8989364 -------------------------- Born effective charges -------------------------- 1 F -0.6888311 -0.1430197 0.0951737 -0.1508927 -1.2892094 0.5520874 0.1471588 0.6317889 -1.3348253 2 F -0.6888311 0.1430197 0.0951737 0.1508927 -1.2892094 -0.5520874 0.1471588 -0.6317889 -1.3348253 3 F -0.6888311 -0.1430197 0.0951737 -0.1508927 -1.2892094 0.5520874 0.1471588 0.6317889 -1.3348253 4 F -0.6888311 0.1430197 0.0951737 0.1508927 -1.2892094 -0.5520874 0.1471588 -0.6317889 -1.3348253 5 F -0.7415347 -0.1396721 0.1649811 -0.2321500 -1.2240024 0.5826759 0.2051803 0.5827842 -1.3149068 6 F -0.7415347 0.1396721 0.1649811 0.2321500 -1.2240024 -0.5826759 0.2051803 -0.5827842 -1.3149068 7 F -0.7415347 -0.1396721 0.1649811 -0.2321500 -1.2240024 0.5826759 0.2051803 0.5827842 -1.3149068 8 F -0.7415347 0.1396721 0.1649811 0.2321500 -1.2240024 -0.5826759 0.2051803 -0.5827842 -1.3149068 9 F -1.9974881 0.0478493 -0.7434062 -0.0086758 -0.6502444 0.0373970 -0.7383040 0.0069289 -1.0605450 10 F -1.9974881 -0.0478493 -0.7434062 0.0086758 -0.6502444 -0.0373970 -0.7383040 -0.0069289 -1.0605450 11 F -1.9974881 0.0478493 -0.7434062 -0.0086758 -0.6502444 0.0373970 -0.7383040 0.0069289 -1.0605450 12 F -1.9974881 -0.0478493 -0.7434062 0.0086758 -0.6502444 -0.0373970 -0.7383040 -0.0069289 -1.0605450 13 F -1.0197157 -0.0069553 -0.3114088 0.0551752 -0.6683928 0.0618754 -0.4647269 0.0021506 -1.3542733 14 F -1.0197157 0.0069553 -0.3114088 -0.0551752 -0.6683928 -0.0618754 -0.4647269 -0.0021506 -1.3542733 15 F -1.0197157 -0.0069553 -0.3114088 0.0551752 -0.6683928 0.0618754 -0.4647269 0.0021506 -1.3542733 16 F -1.0197157 0.0069553 -0.3114088 -0.0551752 -0.6683928 -0.0618754 -0.4647269 -0.0021506 -1.3542733 17 F -1.0114019 0.4733984 0.4658653 0.4374881 -1.2586252 -0.5659495 0.4169687 -0.5361237 -1.2329387 18 F -1.0114019 -0.4733984 0.4658653 -0.4374881 -1.2586252 0.5659495 0.4169687 0.5361237 -1.2329387 19 F -1.0114019 0.4733984 0.4658653 0.4374881 -1.2586252 -0.5659495 0.4169687 -0.5361237 -1.2329387 20 F -1.0114019 -0.4733984 0.4658653 -0.4374881 -1.2586252 0.5659495 0.4169687 0.5361237 -1.2329387 21 F -1.0069224 0.4734355 0.4053262 0.3729820 -1.3071222 -0.4975546 0.3328751 -0.5336820 -1.0990412 22 F -1.0069224 -0.4734355 0.4053262 -0.3729820 -1.3071222 0.4975546 0.3328751 0.5336820 -1.0990412 23 F -1.0069224 0.4734355 0.4053262 0.3729820 -1.3071222 -0.4975546 0.3328751 -0.5336820 -1.0990412 24 F -1.0069224 -0.4734355 0.4053262 -0.3729820 -1.3071222 0.4975546 0.3328751 0.5336820 -1.0990412 25 F -1.2683598 -0.5328219 -0.0751325 -0.7459464 -1.3839994 -0.0638139 -0.0388004 -0.0227789 -0.6789172 26 F -1.2683598 0.5328219 -0.0751325 0.7459464 -1.3839994 0.0638139 -0.0388004 0.0227789 -0.6789172 27 F -1.2683598 -0.5328219 -0.0751325 -0.7459464 -1.3839994 -0.0638139 -0.0388004 -0.0227789 -0.6789172 28 F -1.2683598 0.5328219 -0.0751325 0.7459464 -1.3839994 0.0638139 -0.0388004 0.0227789 -0.6789172 29 Sn 3.9723953 0.2189485 -0.1603264 -0.2089839 4.0061027 0.2636221 0.1813459 -0.2704514 4.2600038 30 Sn 3.9723953 -0.2189485 -0.1603264 0.2089839 4.0061027 -0.2636221 0.1813459 0.2704514 4.2600038 31 Sn 3.9723953 0.2189485 -0.1603264 -0.2089839 4.0061027 0.2636221 0.1813459 -0.2704514 4.2600038 32 Sn 3.9723953 -0.2189485 -0.1603264 0.2089839 4.0061027 -0.2636221 0.1813459 0.2704514 4.2600038 33 Tl 3.7618584 0.2222277 0.1589276 -0.2314350 3.7754931 0.0942933 -0.0416975 0.0210638 3.8154438 34 Tl 3.7618584 -0.2222277 0.1589276 0.2314350 3.7754931 -0.0942933 -0.0416975 -0.0210638 3.8154438 35 Tl 3.7618584 0.2222277 0.1589276 -0.2314350 3.7754931 0.0942933 -0.0416975 0.0210638 3.8154438 36 Tl 3.7618584 -0.2222277 0.1589276 0.2314350 3.7754931 -0.0942933 -0.0416975 -0.0210638 3.8154438 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxz) -0.00000001 (xxz) -0.00000001 (xzx) 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 ... [ 6 9 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 307, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 1.744 ( 0.000 0.000 0.000) 0.000 1.760 ( 0.000 0.000 0.000) 0.000 1.880 ( 0.000 0.000 0.000) 0.000 1.907 ( 0.000 0.000 0.000) 0.000 1.951 ( 0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.244 ( 0.000 0.000 0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.334 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 2.778 ( 0.000 0.000 0.000) 0.000 2.954 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.230 ( 0.000 0.000 0.000) 0.000 3.277 ( 0.000 0.000 0.000) 0.000 3.285 ( 0.000 0.000 0.000) 0.000 3.422 ( 0.000 0.000 0.000) 0.000 3.601 ( 0.000 0.000 0.000) 0.000 3.609 ( 0.000 0.000 0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 3.971 ( 0.000 0.000 0.000) 0.000 4.035 ( 0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.158 ( 0.000 0.000 0.000) 0.000 4.164 ( 0.000 0.000 0.000) 0.000 4.317 ( 0.000 0.000 0.000) 0.000 4.380 ( 0.000 0.000 0.000) 0.000 4.429 ( 0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 0.000) 0.000 4.619 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 0.000) 0.000 4.844 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 4.958 ( 0.000 0.000 0.000) 0.000 4.992 ( 0.000 0.000 0.000) 0.000 5.046 ( 0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.336 ( 0.000 0.000 0.000) 0.000 5.511 ( 0.000 0.000 0.000) 0.000 5.604 ( 0.000 0.000 0.000) 0.000 5.632 ( 0.000 0.000 0.000) 0.000 5.776 ( 0.000 0.000 0.000) 0.000 6.032 ( 0.000 0.000 0.000) 0.000 6.038 ( 0.000 0.000 0.000) 0.000 6.099 ( 0.000 0.000 0.000) 0.000 6.190 ( 0.000 0.000 0.000) 0.000 6.342 ( 0.000 0.000 0.000) 0.000 6.465 ( 0.000 0.000 0.000) 0.000 6.644 ( 0.000 0.000 0.000) 0.000 6.712 ( 0.000 0.000 0.000) 0.000 6.912 ( 0.000 0.000 0.000) 0.000 6.961 ( 0.000 0.000 0.000) 0.000 7.027 ( 0.000 0.000 0.000) 0.000 7.123 ( 0.000 0.000 0.000) 0.000 7.130 ( 0.000 0.000 0.000) 0.000 7.172 ( 0.000 0.000 0.000) 0.000 7.266 ( 0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 7.514 ( 0.000 0.000 0.000) 0.000 7.559 ( 0.000 0.000 0.000) 0.000 7.686 ( 0.000 0.000 0.000) 0.000 7.859 ( 0.000 0.000 0.000) 0.000 7.864 ( 0.000 0.000 0.000) 0.000 7.948 ( 0.000 0.000 0.000) 0.000 7.999 ( 0.000 0.000 0.000) 0.000 8.040 ( 0.000 0.000 0.000) 0.000 8.207 ( 0.000 0.000 0.000) 0.000 8.257 ( 0.000 0.000 0.000) 0.000 8.327 ( 0.000 0.000 0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 8.515 ( 0.000 0.000 0.000) 0.000 8.619 ( 0.000 0.000 0.000) 0.000 9.934 ( 0.000 0.000 0.000) 0.000 10.011 ( 0.000 0.000 0.000) 0.000 12.183 ( 0.000 0.000 0.000) 0.000 12.205 ( 0.000 0.000 0.000) 0.000 12.296 ( 0.000 0.000 0.000) 0.000 12.428 ( 0.000 0.000 0.000) 0.000 12.479 ( 0.000 0.000 0.000) 0.000 13.616 ( 0.000 0.000 0.000) 0.000 13.832 ( 0.000 0.000 0.000) 0.000 13.882 ( 0.000 0.000 0.000) 0.000 13.911 ( 0.000 0.000 0.000) 0.000 14.985 ( 0.000 0.000 0.000) 0.000 14.990 ( 0.000 0.000 0.000) 0.000 15.205 ( 0.000 0.000 0.000) 0.000 15.254 ( 0.000 0.000 0.000) 0.000 15.654 ( 0.000 0.000 0.000) 0.000 15.709 ( 0.000 0.000 0.000) 0.000 15.898 ( 0.000 0.000 0.000) 0.000 15.975 ( 0.000 0.000 0.000) 0.000 16.260 ( 0.000 0.000 0.000) 0.000 16.291 ( 0.000 0.000 0.000) 0.000 16.501 ( 0.000 0.000 0.000) 0.000 17.303 ( 0.000 0.000 0.000) 0.000 17.346 ( 0.000 0.000 0.000) 0.000 17.660 ( 0.000 0.000 0.000) 0.000 18.103 ( 0.000 0.000 0.000) 0.000 18.128 ( 0.000 0.000 0.000) 0.000 18.718 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 16.488 0.000 9.724) 19.142 0.424 ( 17.952 0.000 6.929) 19.243 0.848 ( 29.621 0.000 21.823) 36.792 1.695 ( -1.746 0.000 -0.499) 1.816 1.790 ( 2.057 0.000 -7.126) 7.417 1.794 ( 5.305 0.000 0.802) 5.366 1.824 ( -1.964 0.000 -3.679) 4.170 1.916 ( 1.412 0.000 1.345) 1.950 2.027 ( 5.303 0.000 1.978) 5.660 2.140 ( -7.096 0.000 -4.251) 8.272 2.183 ( -9.226 0.000 11.454) 14.708 2.283 ( 7.973 0.000 -9.902) 12.713 2.505 ( 6.756 0.000 1.910) 7.021 2.571 ( 0.664 0.000 0.381) 0.766 2.676 ( -1.556 0.000 -1.387) 2.085 2.745 ( -3.387 0.000 1.223) 3.601 2.966 ( 1.505 0.000 -5.132) 5.349 3.025 ( -13.542 0.000 -2.873) 13.843 3.175 ( 0.125 0.000 1.004) 1.012 3.253 ( 2.143 0.000 -2.946) 3.644 3.270 ( -4.965 0.000 -0.803) 5.030 3.312 ( -3.258 0.000 -0.326) 3.275 3.496 ( -6.969 0.000 2.932) 7.561 3.574 ( 7.776 0.000 -14.045) 16.054 3.595 ( 0.487 0.000 -2.757) 2.799 3.607 ( -1.247 0.000 2.849) 3.110 3.738 ( 3.425 0.000 5.425) 6.416 3.856 ( 6.584 0.000 -2.277) 6.966 4.024 ( 1.701 0.000 4.145) 4.480 4.076 ( -6.188 0.000 -3.615) 7.166 4.109 ( -0.519 0.000 0.659) 0.839 4.168 ( 2.718 0.000 -3.350) 4.314 4.247 ( -5.023 0.000 0.093) 5.024 4.334 ( -12.712 0.000 18.823) 22.714 4.347 ( -1.604 0.000 -2.900) 3.314 4.447 ( -1.304 0.000 -5.103) 5.267 4.612 ( -1.236 0.000 -0.390) 1.296 4.631 ( -2.316 0.000 13.169) 13.371 4.726 ( -2.647 0.000 0.003) 2.647 4.822 ( -1.908 0.000 -0.593) 1.998 4.849 ( -1.727 0.000 -0.064) 1.729 4.994 ( 5.564 0.000 2.961) 6.303 5.162 ( 1.036 0.000 -2.620) 2.817 5.200 ( 7.943 0.000 5.658) 9.752 5.295 ( -3.562 0.000 1.160) 3.746 5.329 ( -14.302 0.000 20.500) 24.996 5.470 ( -5.230 0.000 2.252) 5.694 5.580 ( 0.766 0.000 0.223) 0.798 5.636 ( -4.935 0.000 9.667) 10.853 5.817 ( -7.644 0.000 -4.983) 9.124 5.843 ( 5.242 0.000 -1.349) 5.412 6.019 ( -2.150 0.000 -1.244) 2.484 6.164 ( 4.463 0.000 0.624) 4.506 6.314 ( 7.189 0.000 -1.584) 7.362 6.358 ( 2.295 0.000 -2.195) 3.176 6.569 ( 5.760 0.000 -1.182) 5.880 6.774 ( 6.839 0.000 3.393) 7.634 6.900 ( -2.538 0.000 -3.935) 4.682 6.900 ( -0.766 0.000 -1.800) 1.956 7.008 ( 0.591 0.000 2.971) 3.030 7.036 ( 1.395 0.000 2.791) 3.120 7.091 ( -3.626 0.000 1.310) 3.855 7.179 ( 0.523 0.000 -6.542) 6.563 7.220 ( 4.755 0.000 -0.152) 4.758 7.381 ( 6.886 0.000 -4.278) 8.107 7.495 ( -1.599 0.000 0.772) 1.775 7.515 ( -3.721 0.000 -1.436) 3.988 7.636 ( 5.107 0.000 -9.804) 11.054 7.791 ( -5.220 0.000 3.065) 6.053 7.877 ( 0.939 0.000 -1.144) 1.479 7.925 ( 4.755 0.000 -5.359) 7.164 7.937 ( -3.807 0.000 -0.379) 3.826 7.970 ( 1.382 0.000 1.963) 2.401 8.045 ( 0.965 0.000 -3.467) 3.599 8.178 ( -3.296 0.000 0.227) 3.304 8.270 ( -0.816 0.000 4.138) 4.218 8.325 ( -0.687 0.000 1.561) 1.706 8.466 ( -1.314 0.000 -2.695) 2.999 8.542 ( -4.127 0.000 7.054) 8.172 8.613 ( -2.003 0.000 2.713) 3.372 9.948 ( 1.015 0.000 0.369) 1.080 10.011 ( 0.345 0.000 -0.562) 0.659 12.049 ( -6.445 0.000 -9.402) 11.400 12.203 ( 2.928 0.000 -2.022) 3.559 12.428 ( 0.638 0.000 -1.138) 1.304 12.475 ( -1.551 0.000 2.002) 2.533 12.762 ( 17.046 0.000 16.335) 23.609 13.662 ( 1.570 0.000 -1.329) 2.057 13.683 ( -6.282 0.000 -9.364) 11.276 13.856 ( -9.337 0.000 4.496) 10.363 13.873 ( -1.050 0.000 0.567) 1.193 14.979 ( -1.090 0.000 0.292) 1.128 14.991 ( 0.197 0.000 -0.172) 0.261 15.343 ( 10.801 0.000 7.534) 13.169 15.457 ( 13.664 0.000 5.865) 14.870 15.466 ( -20.895 0.000 -3.385) 21.167 15.866 ( 13.028 0.000 -20.159) 24.002 15.907 ( 1.231 0.000 -0.136) 1.238 15.983 ( 0.869 0.000 0.254) 0.906 16.066 ( 0.616 0.000 -17.165) 17.176 16.726 ( 6.571 0.000 18.215) 19.363 17.331 ( -0.340 0.000 -2.133) 2.160 17.347 ( 2.719 0.000 5.294) 5.952 17.646 ( -3.156 0.000 2.330) 3.923 18.056 ( -1.143 0.000 -6.019) 6.127 18.076 ( -3.657 0.000 -0.766) 3.736 18.275 ( -5.969 0.000 10.402) 11.993 18.637 ( -6.987 0.000 -1.733) 7.199 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 13.735 0.000 5.103) 14.652 0.811 ( 16.007 0.000 9.128) 18.427 1.434 ( 15.492 0.000 2.274) 15.658 1.570 ( -8.414 0.000 -16.999) 18.967 1.581 ( -8.004 0.000 -1.906) 8.228 1.759 ( -4.878 0.000 -1.824) 5.208 1.908 ( 1.129 0.000 0.848) 1.412 2.020 ( 12.701 0.000 11.281) 16.988 2.061 ( 1.097 0.000 -3.538) 3.704 2.109 ( -8.573 0.000 8.386) 11.992 2.202 ( 1.372 0.000 8.068) 8.183 2.330 ( 6.750 0.000 -10.154) 12.193 2.557 ( 2.076 0.000 -5.442) 5.824 2.560 ( -1.128 0.000 -1.031) 1.529 2.682 ( 1.566 0.000 0.965) 1.840 2.700 ( -0.920 0.000 5.211) 5.292 2.880 ( -1.440 0.000 0.953) 1.727 2.916 ( -1.533 0.000 -3.244) 3.588 3.168 ( -2.813 0.000 4.691) 5.470 3.177 ( -4.976 0.000 -5.541) 7.447 3.271 ( 4.420 0.000 1.777) 4.764 3.301 ( 2.675 0.000 1.740) 3.191 3.438 ( -1.981 0.000 1.888) 2.737 3.533 ( -1.364 0.000 -2.317) 2.689 3.559 ( -2.933 0.000 -1.228) 3.179 3.620 ( 2.264 0.000 -7.782) 8.105 3.821 ( -9.567 0.000 1.315) 9.657 3.896 ( 2.025 0.000 0.123) 2.029 3.927 ( 1.979 0.000 -0.291) 2.000 4.063 ( -2.583 0.000 -3.484) 4.337 4.103 ( 1.752 0.000 2.236) 2.840 4.171 ( -2.335 0.000 -2.467) 3.397 4.194 ( 1.910 0.000 -0.669) 2.024 4.226 ( -5.308 0.000 -3.825) 6.542 4.292 ( -2.909 0.000 3.038) 4.206 4.358 ( -2.671 0.000 1.164) 2.913 4.535 ( -3.657 0.000 -3.329) 4.945 4.732 ( 1.907 0.000 5.025) 5.374 4.767 ( 3.626 0.000 2.387) 4.341 4.783 ( -4.568 0.000 3.114) 5.528 4.857 ( 2.792 0.000 4.054) 4.923 5.034 ( -5.269 0.000 -6.821) 8.619 5.156 ( 6.455 0.000 2.661) 6.982 5.229 ( -7.859 0.000 1.233) 7.955 5.264 ( -1.311 0.000 2.385) 2.722 5.343 ( -7.726 0.000 1.229) 7.823 5.428 ( 6.167 0.000 9.756) 11.542 5.471 ( -7.967 0.000 -4.707) 9.254 5.779 ( 10.132 0.000 9.621) 13.972 5.818 ( 1.099 0.000 5.203) 5.317 5.916 ( 4.215 0.000 -1.695) 4.543 5.930 ( -4.182 0.000 -3.805) 5.654 6.253 ( 3.640 0.000 -0.317) 3.654 6.345 ( -1.530 0.000 -4.071) 4.348 6.404 ( 3.694 0.000 -1.373) 3.941 6.619 ( 3.333 0.000 -3.010) 4.491 6.763 ( -4.924 0.000 -3.472) 6.025 6.859 ( -0.093 0.000 -1.198) 1.202 6.993 ( 1.706 0.000 1.607) 2.343 7.036 ( 4.236 0.000 8.500) 9.498 7.050 ( -2.546 0.000 2.638) 3.666 7.125 ( -0.219 0.000 -5.163) 5.168 7.139 ( 4.428 0.000 1.868) 4.806 7.336 ( 6.285 0.000 0.929) 6.354 7.400 ( -5.084 0.000 -3.359) 6.094 7.456 ( 5.557 0.000 -4.758) 7.316 7.488 ( 0.126 0.000 0.575) 0.589 7.635 ( 1.736 0.000 -2.991) 3.459 7.728 ( -4.776 0.000 3.525) 5.936 7.792 ( -5.835 0.000 -2.217) 6.242 7.941 ( 2.436 0.000 -0.959) 2.618 7.951 ( 1.233 0.000 -0.229) 1.254 8.011 ( -0.942 0.000 -1.829) 2.057 8.013 ( 2.295 0.000 -2.197) 3.177 8.106 ( -3.774 0.000 0.886) 3.877 8.296 ( -0.772 0.000 3.163) 3.255 8.333 ( -0.378 0.000 1.721) 1.763 8.406 ( -1.586 0.000 -2.415) 2.890 8.532 ( -1.580 0.000 2.082) 2.614 8.601 ( -1.840 0.000 2.458) 3.070 9.971 ( 0.870 0.000 0.307) 0.923 10.014 ( 0.480 0.000 -0.495) 0.689 11.892 ( -2.753 0.000 -4.850) 5.577 12.240 ( 2.949 0.000 -2.515) 3.876 12.430 ( 0.890 0.000 -1.345) 1.613 12.460 ( -1.998 0.000 1.957) 2.797 13.287 ( 19.514 0.000 15.879) 25.159 13.497 ( -6.473 0.000 -1.426) 6.628 13.683 ( 1.262 0.000 -0.257) 1.288 13.703 ( -6.286 0.000 -2.003) 6.598 13.866 ( -0.280 0.000 1.993) 2.012 14.841 ( -19.085 0.000 -7.446) 20.486 14.993 ( 0.093 0.000 -0.014) 0.094 15.056 ( -5.268 0.000 -5.697) 7.760 15.651 ( 9.621 0.000 7.645) 12.288 15.752 ( 8.487 0.000 4.555) 9.632 15.904 ( 6.075 0.000 -8.628) 10.553 15.961 ( 4.361 0.000 1.261) 4.540 15.973 ( 0.036 0.000 -5.163) 5.163 16.031 ( 4.013 0.000 1.548) 4.301 16.999 ( 8.020 0.000 8.227) 11.489 17.306 ( 0.159 0.000 -0.890) 0.904 17.421 ( -1.640 0.000 4.042) 4.362 17.551 ( -7.988 0.000 -1.356) 8.102 17.990 ( 1.567 0.000 -5.249) 5.478 18.033 ( 1.266 0.000 -0.827) 1.512 18.235 ( -5.166 0.000 2.720) 5.839 18.459 ( -8.258 0.000 -2.296) 8.571 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 0.000 0.000 0.000) 0.000 1.091 ( 0.000 0.000 0.000) 0.000 1.356 ( 0.000 0.000 0.000) 0.000 1.382 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 1.687 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 2.050 ( -0.000 0.000 0.000) 0.000 2.058 ( 0.000 0.000 0.000) 0.000 2.167 ( 0.000 0.000 0.000) 0.000 2.266 ( 0.000 0.000 0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 2.523 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 -0.000) 0.000 2.671 ( 0.000 0.000 0.000) 0.000 2.732 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 0.000 0.000) 0.000 2.927 ( 0.000 0.000 0.000) 0.000 3.085 ( 0.000 0.000 0.000) 0.000 3.169 ( 0.000 0.000 0.000) 0.000 3.352 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 3.480 ( -0.000 0.000 0.000) 0.000 3.516 ( 0.000 0.000 -0.000) 0.000 3.531 ( 0.000 0.000 0.000) 0.000 3.699 ( -0.000 0.000 0.000) 0.000 3.927 ( 0.000 0.000 0.000) 0.000 3.950 ( 0.000 0.000 -0.000) 0.000 4.030 ( 0.000 0.000 -0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.133 ( 0.000 0.000 -0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.212 ( 0.000 0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.755 ( 0.000 0.000 -0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 4.831 ( 0.000 0.000 0.000) 0.000 4.937 ( 0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 -0.000) 0.000 5.109 ( 0.000 0.000 0.000) 0.000 5.232 ( 0.000 0.000 0.000) 0.000 5.265 ( 0.000 0.000 0.000) 0.000 5.286 ( 0.000 0.000 0.000) 0.000 5.330 ( 0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 5.825 ( 0.000 0.000 0.000) 0.000 5.869 ( 0.000 0.000 0.000) 0.000 5.918 ( 0.000 0.000 0.000) 0.000 6.047 ( 0.000 0.000 0.000) 0.000 6.199 ( -0.000 0.000 -0.000) 0.000 6.314 ( 0.000 0.000 0.000) 0.000 6.431 ( 0.000 0.000 0.000) 0.000 6.640 ( 0.000 0.000 0.000) 0.000 6.699 ( 0.000 0.000 0.000) 0.000 6.848 ( 0.000 0.000 0.000) 0.000 6.996 ( 0.000 0.000 0.000) 0.000 7.041 ( 0.000 0.000 0.000) 0.000 7.091 ( 0.000 0.000 0.000) 0.000 7.190 ( 0.000 0.000 0.000) 0.000 7.226 ( -0.000 0.000 -0.000) 0.000 7.241 ( 0.000 0.000 -0.000) 0.000 7.447 ( 0.000 0.000 0.000) 0.000 7.484 ( 0.000 0.000 0.000) 0.000 7.500 ( 0.000 0.000 -0.000) 0.000 7.644 ( -0.000 0.000 0.000) 0.000 7.691 ( 0.000 0.000 0.000) 0.000 7.695 ( 0.000 0.000 0.000) 0.000 7.957 ( 0.000 0.000 0.000) 0.000 7.967 ( 0.000 0.000 -0.000) 0.000 7.997 ( 0.000 0.000 0.000) 0.000 8.008 ( -0.000 0.000 0.000) 0.000 8.081 ( 0.000 0.000 0.000) 0.000 8.299 ( 0.000 0.000 0.000) 0.000 8.338 ( 0.000 0.000 0.000) 0.000 8.380 ( 0.000 0.000 0.000) 0.000 8.527 ( 0.000 0.000 0.000) 0.000 8.595 ( 0.000 0.000 0.000) 0.000 9.981 ( 0.000 0.000 0.000) 0.000 10.017 ( 0.000 0.000 0.000) 0.000 11.843 ( 0.000 0.000 0.000) 0.000 12.256 ( 0.000 0.000 0.000) 0.000 12.435 ( -0.000 0.000 0.000) 0.000 12.447 ( 0.000 0.000 0.000) 0.000 13.428 ( 0.000 0.000 0.000) 0.000 13.615 ( 0.000 0.000 0.000) 0.000 13.626 ( 0.000 0.000 0.000) 0.000 13.696 ( 0.000 0.000 -0.000) 0.000 13.936 ( 0.000 0.000 0.000) 0.000 14.452 ( -0.000 0.000 0.000) 0.000 14.994 ( 0.000 0.000 0.000) 0.000 15.017 ( 0.000 0.000 0.000) 0.000 15.768 ( 0.000 0.000 0.000) 0.000 15.847 ( 0.000 0.000 0.000) 0.000 15.925 ( 0.000 0.000 -0.000) 0.000 15.943 ( -0.000 0.000 0.000) 0.000 16.045 ( 0.000 0.000 0.000) 0.000 16.104 ( 0.000 0.000 0.000) 0.000 17.146 ( 0.000 0.000 0.000) 0.000 17.365 ( 0.000 0.000 0.000) 0.000 17.374 ( -0.000 0.000 -0.000) 0.000 17.391 ( 0.000 0.000 0.000) 0.000 17.996 ( 0.000 0.000 0.000) 0.000 18.079 ( 0.000 0.000 0.000) 0.000 18.168 ( 0.000 0.000 0.000) 0.000 18.349 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 0.000 19.838 0.000) 19.838 0.609 ( 0.000 29.725 0.000) 29.725 0.670 ( 0.000 31.437 0.000) 31.437 1.745 ( 0.000 -1.011 0.000) 1.011 1.773 ( 0.000 6.046 0.000) 6.046 1.819 ( 0.000 6.950 0.000) 6.950 1.907 ( 0.000 2.523 0.000) 2.523 2.029 ( 0.000 7.906 0.000) 7.906 2.037 ( 0.000 3.744 0.000) 3.744 2.200 ( 0.000 -2.476 0.000) 2.476 2.316 ( 0.000 6.287 0.000) 6.287 2.376 ( 0.000 1.803 0.000) 1.803 2.404 ( 0.000 9.704 0.000) 9.704 2.567 ( 0.000 1.259 0.000) 1.259 2.744 ( 0.000 3.593 0.000) 3.593 2.757 ( 0.000 -1.769 0.000) 1.769 2.955 ( 0.000 -0.385 0.000) 0.385 3.064 ( 0.000 -8.055 0.000) 8.055 3.114 ( 0.000 -11.947 0.000) 11.947 3.225 ( 0.000 -2.276 0.000) 2.276 3.275 ( 0.000 -2.174 0.000) 2.174 3.404 ( 0.000 5.119 0.000) 5.119 3.552 ( 0.000 -1.793 0.000) 1.793 3.629 ( 0.000 0.125 0.000) 0.125 3.632 ( 0.000 4.847 0.000) 4.847 3.718 ( 0.000 -3.018 0.000) 3.018 3.746 ( 0.000 6.683 0.000) 6.683 3.788 ( 0.000 -1.435 0.000) 1.435 3.970 ( 0.000 0.168 0.000) 0.168 4.039 ( 0.000 0.439 0.000) 0.439 4.100 ( 0.000 -3.589 0.000) 3.589 4.126 ( 0.000 -1.832 0.000) 1.832 4.237 ( 0.000 2.148 0.000) 2.148 4.377 ( 0.000 3.414 0.000) 3.414 4.406 ( 0.000 -2.190 0.000) 2.190 4.427 ( 0.000 -2.968 0.000) 2.968 4.589 ( 0.000 0.347 0.000) 0.347 4.727 ( 0.000 6.898 0.000) 6.898 4.751 ( 0.000 -6.941 0.000) 6.941 4.832 ( 0.000 -3.512 0.000) 3.512 4.897 ( 0.000 -3.226 0.000) 3.226 4.948 ( 0.000 0.132 0.000) 0.132 5.001 ( 0.000 -2.629 0.000) 2.629 5.101 ( 0.000 5.087 0.000) 5.087 5.124 ( 0.000 5.090 0.000) 5.090 5.433 ( 0.000 3.977 0.000) 3.977 5.483 ( 0.000 -3.281 0.000) 3.281 5.572 ( 0.000 -0.783 0.000) 0.783 5.662 ( 0.000 2.590 0.000) 2.590 5.775 ( 0.000 0.103 0.000) 0.103 5.974 ( 0.000 -5.283 0.000) 5.283 6.047 ( 0.000 -1.882 0.000) 1.882 6.136 ( 0.000 3.472 0.000) 3.472 6.322 ( 0.000 -1.572 0.000) 1.572 6.407 ( 0.000 1.407 0.000) 1.407 6.594 ( 0.000 1.680 0.000) 1.680 6.658 ( 0.000 0.891 0.000) 0.891 6.810 ( 0.000 1.413 0.000) 1.413 6.908 ( 0.000 -9.198 0.000) 9.198 6.972 ( 0.000 0.375 0.000) 0.375 7.061 ( 0.000 -3.751 0.000) 3.751 7.129 ( 0.000 0.494 0.000) 0.494 7.169 ( 0.000 -1.387 0.000) 1.387 7.293 ( 0.000 -1.321 0.000) 1.321 7.360 ( 0.000 5.077 0.000) 5.077 7.386 ( 0.000 -0.913 0.000) 0.913 7.562 ( 0.000 3.143 0.000) 3.143 7.584 ( 0.000 2.598 0.000) 2.598 7.678 ( 0.000 -0.473 0.000) 0.473 7.834 ( 0.000 -1.999 0.000) 1.999 7.928 ( 0.000 -1.476 0.000) 1.476 7.976 ( 0.000 1.004 0.000) 1.004 8.016 ( 0.000 1.072 0.000) 1.072 8.101 ( 0.000 1.440 0.000) 1.440 8.158 ( 0.000 -4.527 0.000) 4.527 8.270 ( 0.000 1.161 0.000) 1.161 8.346 ( 0.000 2.081 0.000) 2.081 8.483 ( 0.000 -0.378 0.000) 0.378 8.547 ( 0.000 2.445 0.000) 2.445 8.638 ( 0.000 -0.231 0.000) 0.231 10.061 ( 0.000 12.009 0.000) 12.009 10.390 ( 0.000 10.351 0.000) 10.351 12.118 ( 0.000 -6.105 0.000) 6.105 12.156 ( 0.000 -2.761 0.000) 2.761 12.280 ( 0.000 0.168 0.000) 0.168 12.595 ( 0.000 13.559 0.000) 13.559 12.660 ( 0.000 13.217 0.000) 13.217 13.650 ( 0.000 0.764 0.000) 0.764 13.710 ( 0.000 -9.724 0.000) 9.724 13.795 ( 0.000 -0.592 0.000) 0.592 14.075 ( 0.000 8.684 0.000) 8.684 15.060 ( 0.000 2.516 0.000) 2.516 15.076 ( 0.000 7.816 0.000) 7.816 15.170 ( 0.000 -8.399 0.000) 8.399 15.412 ( 0.000 3.382 0.000) 3.382 15.527 ( 0.000 -6.435 0.000) 6.435 15.705 ( 0.000 0.050 0.000) 0.050 15.812 ( 0.000 -3.039 0.000) 3.039 16.225 ( 0.000 -3.194 0.000) 3.194 16.272 ( 0.000 -2.579 0.000) 2.579 16.776 ( 0.000 20.367 0.000) 20.367 17.310 ( 0.000 0.776 0.000) 0.776 17.317 ( 0.000 -2.596 0.000) 2.596 17.620 ( 0.000 -3.815 0.000) 3.815 17.820 ( 0.000 -4.800 0.000) 4.800 18.034 ( 0.000 -6.513 0.000) 6.513 18.151 ( 0.000 1.651 0.000) 1.651 18.611 ( 0.000 -10.573 0.000) 10.573 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 1.133 20.837 21.430) 29.912 0.755 ( 17.454 22.348 -5.329) 28.853 0.991 ( 23.765 14.652 15.188) 31.783 1.732 ( 0.023 -0.490 -7.539) 7.555 1.753 ( -1.280 2.840 0.176) 3.120 1.843 ( 2.281 4.313 -0.862) 4.955 1.890 ( -3.345 2.441 -0.701) 4.200 1.996 ( 3.939 8.008 -2.006) 9.147 2.074 ( 1.555 3.096 0.027) 3.465 2.138 ( -2.110 2.506 -1.863) 3.768 2.232 ( -8.896 1.345 1.459) 9.115 2.381 ( 3.582 8.041 -3.689) 9.544 2.495 ( 5.474 1.071 1.834) 5.872 2.570 ( -0.647 0.002 1.499) 1.633 2.718 ( -1.688 3.299 -1.412) 3.966 2.769 ( -1.091 1.525 1.752) 2.566 2.952 ( -2.500 -0.567 -3.179) 4.084 2.992 ( -2.479 -5.423 -3.525) 6.927 3.075 ( -4.781 -4.384 0.800) 6.536 3.133 ( -6.248 -8.300 3.725) 11.036 3.303 ( -0.132 -1.870 -0.064) 1.876 3.364 ( -0.221 5.207 -5.473) 7.558 3.469 ( 1.065 0.605 -7.671) 7.769 3.571 ( -3.246 -1.238 1.037) 3.626 3.652 ( -0.819 4.829 1.265) 5.058 3.696 ( 0.791 2.113 -0.008) 2.256 3.769 ( 2.974 2.805 2.832) 4.974 3.857 ( 4.416 1.655 -2.809) 5.489 4.003 ( -4.754 -3.250 -1.569) 5.969 4.009 ( 2.039 -1.561 2.853) 3.838 4.113 ( 2.504 -3.214 -2.572) 4.819 4.162 ( -0.852 3.618 -0.671) 3.777 4.216 ( -3.536 -2.428 7.652) 8.772 4.308 ( -6.162 -1.479 1.555) 6.525 4.395 ( 0.219 2.837 -3.672) 4.645 4.458 ( -1.631 0.403 -1.291) 2.119 4.589 ( -2.764 -0.374 6.474) 7.049 4.681 ( -2.184 0.426 1.039) 2.456 4.738 ( -0.080 0.327 -0.606) 0.693 4.800 ( -3.198 -1.189 5.136) 6.166 4.840 ( 0.281 0.597 -4.660) 4.706 4.992 ( 2.946 -1.271 2.887) 4.316 5.110 ( 1.505 -5.857 8.069) 10.083 5.162 ( 3.283 -0.179 -1.363) 3.560 5.240 ( 2.724 0.195 1.971) 3.368 5.369 ( -2.774 0.479 -1.662) 3.269 5.463 ( -4.198 -0.249 1.396) 4.431 5.577 ( -1.736 0.757 4.662) 5.032 5.632 ( -3.526 0.031 5.773) 6.765 5.797 ( -1.345 0.124 2.855) 3.158 5.866 ( -0.970 0.389 -2.319) 2.543 6.026 ( -1.432 -0.807 -1.757) 2.406 6.192 ( 3.715 2.464 0.270) 4.466 6.373 ( 4.667 1.938 -1.937) 5.412 6.445 ( -0.619 5.099 -2.876) 5.887 6.559 ( 3.143 -0.114 2.862) 4.253 6.752 ( 4.863 -5.559 -2.798) 7.898 6.797 ( 1.128 0.433 2.054) 2.384 6.897 ( -1.324 -8.191 0.502) 8.313 6.929 ( -5.005 -1.476 -3.148) 6.094 7.051 ( 2.432 1.018 2.940) 3.949 7.121 ( -0.467 0.441 -0.081) 0.648 7.163 ( 1.195 0.671 1.554) 2.072 7.267 ( 0.684 1.376 -2.523) 2.954 7.382 ( 5.436 0.208 -6.035) 8.125 7.482 ( 1.715 -3.633 -0.721) 4.082 7.559 ( -3.269 2.294 -2.117) 4.520 7.579 ( 3.585 1.382 -1.398) 4.089 7.708 ( -1.286 -2.920 5.091) 6.008 7.868 ( 2.410 -2.132 1.660) 3.620 7.914 ( -1.825 -1.050 -1.607) 2.648 7.966 ( 0.729 1.363 -4.096) 4.378 7.982 ( 0.057 3.280 -0.975) 3.422 8.091 ( -0.784 0.961 -1.668) 2.079 8.122 ( -3.154 -4.533 0.845) 5.586 8.277 ( -0.829 0.113 2.544) 2.678 8.350 ( 0.406 3.182 0.995) 3.359 8.479 ( -1.077 0.969 -1.065) 1.798 8.534 ( -1.727 0.359 2.067) 2.717 8.635 ( -1.445 1.233 2.109) 2.838 10.054 ( -0.452 11.395 -0.077) 11.404 10.270 ( -3.851 17.516 -2.647) 18.129 11.996 ( -5.318 -3.569 -5.086) 8.178 12.177 ( 2.994 -3.005 -1.114) 4.385 12.474 ( 4.500 1.968 3.766) 6.189 12.581 ( -0.133 10.405 -4.811) 11.464 12.812 ( 12.422 8.133 15.388) 21.384 13.473 ( -12.434 -10.734 -0.830) 16.447 13.633 ( 0.812 -7.504 -10.222) 12.707 13.918 ( 2.909 7.282 3.141) 8.447 14.064 ( -1.642 14.043 2.353) 14.333 15.047 ( -3.563 1.286 4.735) 6.063 15.081 ( -1.997 8.266 0.550) 8.521 15.232 ( 0.347 -12.193 0.478) 12.207 15.406 ( 2.757 2.973 3.054) 5.076 15.520 ( -0.008 0.695 0.908) 1.143 15.727 ( 7.688 -2.470 -6.605) 10.433 15.820 ( 4.918 -6.122 -8.949) 11.906 16.056 ( -3.471 1.518 -7.163) 8.103 16.148 ( -3.602 1.391 -5.214) 6.488 16.898 ( 5.479 14.503 10.894) 18.948 17.301 ( -0.942 -2.868 -1.536) 3.387 17.365 ( 2.928 1.476 4.491) 5.561 17.600 ( -3.059 -4.376 1.706) 5.605 17.984 ( 0.751 -7.164 0.490) 7.220 17.989 ( -0.070 -6.432 -4.296) 7.735 18.239 ( 1.717 -0.711 7.701) 7.922 18.529 ( -7.044 -10.405 -1.994) 12.722 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 5.250 14.863 18.613) 24.391 1.048 ( 17.548 17.851 -4.628) 25.456 1.470 ( 11.350 2.637 0.089) 11.652 1.565 ( -5.764 1.182 -12.832) 14.117 1.711 ( -7.038 9.972 -6.668) 13.908 1.748 ( -1.906 2.048 2.576) 3.803 1.869 ( -1.009 -2.567 2.509) 3.729 1.969 ( -3.623 -6.057 -2.953) 7.650 2.109 ( 0.667 0.220 1.993) 2.114 2.190 ( 4.581 10.801 6.956) 13.640 2.239 ( 4.459 2.335 5.053) 7.132 2.423 ( 5.828 6.319 -5.395) 10.149 2.543 ( 0.454 -0.056 -4.479) 4.502 2.582 ( -7.024 -1.356 1.103) 7.239 2.630 ( 1.083 -0.340 3.609) 3.783 2.749 ( 2.899 1.095 -1.313) 3.366 2.863 ( -6.911 1.726 4.812) 8.596 2.954 ( 1.013 0.254 -0.960) 1.419 3.023 ( -2.401 -6.527 -2.869) 7.523 3.082 ( -0.783 -6.457 1.009) 6.582 3.307 ( 1.333 1.521 3.984) 4.468 3.389 ( 3.262 2.252 -0.192) 3.968 3.443 ( 1.993 2.614 -4.336) 5.441 3.515 ( -3.992 -0.139 2.619) 4.776 3.612 ( -3.189 3.940 -0.501) 5.094 3.682 ( -2.567 1.223 -8.246) 8.723 3.820 ( -5.042 2.217 1.573) 5.728 3.870 ( 2.994 -0.092 1.107) 3.193 3.945 ( 2.136 2.032 -0.241) 2.958 4.069 ( 1.171 -1.438 -0.691) 1.979 4.113 ( -1.692 2.084 0.336) 2.706 4.137 ( 1.093 -3.529 -0.636) 3.749 4.189 ( -0.756 -0.015 -0.103) 0.763 4.262 ( -6.720 3.637 -4.559) 8.898 4.278 ( -0.835 0.012 0.174) 0.853 4.372 ( -2.928 0.705 -0.617) 3.075 4.595 ( -2.183 4.447 1.849) 5.288 4.732 ( 1.519 -0.667 -0.712) 1.805 4.741 ( 2.663 -1.888 3.261) 4.614 4.772 ( -2.554 -1.372 1.429) 3.232 4.868 ( 2.138 1.216 4.977) 5.552 5.057 ( -2.855 1.782 -5.423) 6.382 5.127 ( 2.486 -3.658 3.498) 5.639 5.147 ( -1.773 -4.057 -0.598) 4.467 5.263 ( -1.957 -1.448 1.620) 2.924 5.328 ( -5.274 -1.502 0.965) 5.568 5.434 ( 4.238 0.560 3.865) 5.763 5.478 ( -8.505 -0.227 -2.474) 8.860 5.741 ( 5.659 -2.457 7.870) 10.000 5.831 ( 1.272 0.313 1.419) 1.931 5.943 ( 2.490 4.114 4.929) 6.886 5.964 ( 1.115 1.323 -3.719) 4.102 6.247 ( 2.029 -0.339 -0.359) 2.088 6.368 ( -3.285 2.766 -4.162) 5.980 6.471 ( 4.907 3.931 -0.336) 6.296 6.580 ( -0.530 -2.743 -1.668) 3.254 6.740 ( -3.496 -1.509 -2.959) 4.823 6.819 ( 1.020 -3.411 -2.457) 4.325 6.891 ( -0.425 -6.843 0.821) 6.905 6.943 ( 4.461 -4.587 5.645) 8.532 7.082 ( -1.160 -2.134 -1.463) 2.835 7.151 ( 2.424 0.800 1.083) 2.773 7.201 ( 1.344 5.587 3.335) 6.644 7.308 ( 3.803 -2.602 0.530) 4.639 7.441 ( 0.973 -1.410 -4.537) 4.849 7.446 ( 1.423 2.008 -3.631) 4.386 7.489 ( -0.419 -0.106 -0.107) 0.445 7.625 ( 2.350 1.019 -1.151) 2.808 7.702 ( -3.353 -1.466 3.951) 5.385 7.808 ( -5.838 0.810 -1.992) 6.222 7.933 ( 1.907 -3.051 0.165) 3.602 7.952 ( 0.123 0.204 0.316) 0.396 7.989 ( 1.817 3.011 -3.374) 4.874 8.035 ( -2.279 -2.003 -2.278) 3.794 8.103 ( -0.046 1.098 2.110) 2.380 8.284 ( -0.899 -1.355 2.112) 2.666 8.372 ( 0.217 4.104 1.191) 4.278 8.427 ( -1.686 1.877 -2.151) 3.316 8.528 ( -1.045 -0.269 1.586) 1.918 8.626 ( -1.520 2.084 1.894) 3.200 10.049 ( 0.047 9.865 -0.069) 9.866 10.224 ( -0.298 16.575 -0.766) 16.595 11.872 ( -2.980 -1.779 -3.053) 4.622 12.226 ( 3.154 -1.875 -1.860) 4.114 12.519 ( 0.108 7.380 0.385) 7.390 12.538 ( -0.935 8.209 -1.329) 8.369 13.253 ( 12.436 -4.014 4.879) 13.949 13.285 ( -8.521 -11.937 9.953) 17.725 13.576 ( 7.485 -6.349 -4.503) 10.798 13.968 ( 0.820 16.614 1.417) 16.694 14.055 ( -1.834 17.152 1.481) 17.313 14.785 ( -21.300 -6.832 -8.276) 23.851 15.077 ( 0.322 7.534 0.405) 7.552 15.152 ( -2.004 9.013 -0.899) 9.277 15.532 ( 4.016 -9.566 -0.668) 10.396 15.607 ( 5.687 -10.123 -0.705) 11.632 15.857 ( 7.404 -2.904 2.476) 8.330 15.919 ( 7.258 -0.612 2.739) 7.782 16.023 ( 3.833 1.036 -2.809) 4.864 16.077 ( -1.053 0.658 -0.506) 1.341 17.104 ( 6.773 8.247 5.440) 11.978 17.267 ( -0.824 -3.418 0.100) 3.518 17.425 ( -2.913 -0.670 2.358) 3.807 17.510 ( -6.108 -3.015 -1.335) 6.941 17.929 ( 2.327 -5.830 -5.324) 8.231 18.021 ( 3.030 -0.890 0.329) 3.175 18.259 ( -4.074 0.742 2.142) 4.662 18.346 ( -8.415 -9.403 -2.058) 12.785 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.000 13.681 -0.000) 13.681 1.231 ( -0.000 11.913 0.000) 11.913 1.384 ( -0.000 3.013 -0.000) 3.013 1.514 ( 0.000 11.717 0.000) 11.717 1.575 ( -0.000 -1.037 -0.000) 1.037 1.755 ( -0.000 4.912 -0.000) 4.912 1.871 ( -0.000 -6.960 -0.000) 6.960 1.997 ( 0.000 -2.553 0.000) 2.553 2.019 ( 0.000 -2.429 0.000) 2.429 2.279 ( 0.000 6.608 0.000) 6.608 2.331 ( -0.000 5.614 -0.000) 5.614 2.467 ( 0.000 7.491 -0.000) 7.491 2.492 ( -0.000 -7.332 0.000) 7.332 2.607 ( 0.000 -1.816 0.000) 1.816 2.707 ( -0.000 4.206 0.000) 4.206 2.717 ( 0.000 -1.868 -0.000) 1.868 2.843 ( -0.000 1.714 -0.000) 1.714 2.951 ( 0.000 2.432 -0.000) 2.432 3.001 ( -0.000 -4.696 0.000) 4.696 3.069 ( 0.000 -8.408 -0.000) 8.408 3.401 ( 0.000 1.382 0.000) 1.382 3.404 ( -0.000 3.089 -0.000) 3.089 3.450 ( 0.000 0.956 0.000) 0.956 3.502 ( 0.000 -0.365 -0.000) 0.365 3.516 ( -0.000 1.313 0.000) 1.313 3.554 ( -0.000 4.348 0.000) 4.348 3.805 ( -0.000 7.761 0.000) 7.761 3.900 ( 0.000 -1.505 -0.000) 1.505 3.959 ( 0.000 3.260 0.000) 3.260 4.075 ( -0.000 1.066 -0.000) 1.066 4.082 ( 0.000 0.756 0.000) 0.756 4.146 ( -0.000 -5.627 0.000) 5.627 4.159 ( 0.000 3.428 -0.000) 3.428 4.218 ( 0.000 1.094 0.000) 1.094 4.255 ( 0.000 -0.237 0.000) 0.237 4.357 ( -0.000 1.437 0.000) 1.437 4.564 ( 0.000 6.153 -0.000) 6.153 4.740 ( -0.000 -1.419 0.000) 1.419 4.745 ( 0.000 -1.824 -0.000) 1.824 4.817 ( 0.000 -1.463 0.000) 1.463 4.954 ( -0.000 0.305 0.000) 0.305 4.981 ( -0.000 1.359 -0.000) 1.359 5.069 ( 0.000 -1.683 0.000) 1.683 5.196 ( -0.000 -2.613 0.000) 2.613 5.249 ( 0.000 -1.702 0.000) 1.702 5.311 ( 0.000 1.518 0.000) 1.518 5.323 ( -0.000 -1.876 -0.000) 1.876 5.536 ( 0.000 -4.198 -0.000) 4.198 5.810 ( -0.000 -0.276 0.000) 0.276 5.856 ( 0.000 -0.888 0.000) 0.888 5.927 ( -0.000 -0.405 -0.000) 0.405 6.105 ( 0.000 5.247 0.000) 5.247 6.242 ( -0.000 4.257 -0.000) 4.257 6.265 ( -0.000 -2.915 0.000) 2.915 6.522 ( 0.000 5.684 -0.000) 5.684 6.564 ( 0.000 -5.179 -0.000) 5.179 6.682 ( 0.000 -0.769 -0.000) 0.769 6.824 ( 0.000 -2.740 0.000) 2.740 6.888 ( -0.000 -6.932 0.000) 6.932 7.031 ( 0.000 -5.466 0.000) 5.466 7.042 ( 0.000 -1.582 -0.000) 1.582 7.186 ( 0.000 -0.080 0.000) 0.080 7.286 ( -0.000 4.362 -0.000) 4.362 7.286 ( 0.000 1.202 0.000) 1.202 7.406 ( 0.000 -3.501 0.000) 3.501 7.473 ( -0.000 -0.364 0.000) 0.364 7.518 ( 0.000 1.077 -0.000) 1.077 7.646 ( 0.000 0.743 -0.000) 0.743 7.675 ( -0.000 -1.334 0.000) 1.334 7.719 ( 0.000 2.248 0.000) 2.248 7.935 ( 0.000 -2.665 -0.000) 2.665 7.976 ( -0.000 -2.566 -0.000) 2.566 7.978 ( 0.000 1.228 0.000) 1.228 8.003 ( 0.000 1.115 0.000) 1.115 8.123 ( -0.000 3.380 0.000) 3.380 8.285 ( 0.000 -1.613 -0.000) 1.613 8.369 ( 0.000 3.808 0.000) 3.808 8.406 ( -0.000 1.996 0.000) 1.996 8.525 ( -0.000 -0.093 0.000) 0.093 8.620 ( 0.000 2.216 -0.000) 2.216 10.050 ( 0.000 9.259 0.000) 9.259 10.220 ( 0.000 16.125 0.000) 16.125 11.828 ( 0.000 -1.369 -0.000) 1.369 12.247 ( 0.000 -1.241 0.000) 1.241 12.520 ( -0.000 8.091 0.000) 8.091 12.521 ( 0.000 6.698 -0.000) 6.698 13.224 ( -0.000 -11.832 0.000) 11.832 13.342 ( 0.000 -13.718 -0.000) 13.718 13.890 ( 0.000 1.122 0.000) 1.122 13.950 ( -0.000 19.122 -0.000) 19.122 14.017 ( 0.000 18.439 0.000) 18.439 14.399 ( -0.000 -5.027 -0.000) 5.027 15.083 ( -0.000 7.971 0.000) 7.971 15.133 ( 0.000 10.087 -0.000) 10.087 15.561 ( 0.000 -13.388 -0.000) 13.388 15.648 ( -0.000 -13.504 0.000) 13.504 15.964 ( 0.000 -2.145 -0.000) 2.145 15.993 ( -0.000 1.298 0.000) 1.298 16.063 ( -0.000 1.822 0.000) 1.822 16.106 ( -0.000 0.026 -0.000) 0.026 17.216 ( 0.000 1.760 0.000) 1.760 17.304 ( -0.000 -2.227 -0.000) 2.227 17.324 ( 0.000 -3.542 0.000) 3.542 17.426 ( -0.000 1.641 0.000) 1.641 17.948 ( -0.000 -4.638 0.000) 4.638 18.084 ( 0.000 0.761 0.000) 0.761 18.190 ( -0.000 -5.088 0.000) 5.088 18.242 ( -0.000 -3.342 0.000) 3.342 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 0.000 20.505 0.000) 20.505 1.204 ( 0.000 28.350 0.000) 28.350 1.253 ( 0.000 25.096 0.000) 25.096 1.730 ( 0.000 -0.572 0.000) 0.572 1.854 ( 0.000 -0.254 0.000) 0.254 1.974 ( 0.000 3.815 0.000) 3.815 1.999 ( 0.000 8.736 0.000) 8.736 2.105 ( 0.000 2.762 0.000) 2.762 2.181 ( 0.000 1.283 0.000) 1.283 2.241 ( 0.000 11.887 0.000) 11.887 2.394 ( 0.000 1.541 0.000) 1.541 2.420 ( 0.000 5.112 0.000) 5.112 2.632 ( 0.000 4.629 0.000) 4.629 2.670 ( 0.000 12.411 0.000) 12.411 2.688 ( 0.000 -8.140 0.000) 8.140 2.798 ( 0.000 -1.560 0.000) 1.560 2.798 ( 0.000 -10.525 0.000) 10.525 2.934 ( 0.000 -2.046 0.000) 2.046 2.990 ( 0.000 0.898 0.000) 0.898 3.155 ( 0.000 -3.747 0.000) 3.747 3.203 ( 0.000 -4.068 0.000) 4.068 3.438 ( 0.000 -7.610 0.000) 7.610 3.548 ( 0.000 2.330 0.000) 2.330 3.650 ( 0.000 6.719 0.000) 6.719 3.657 ( 0.000 -2.157 0.000) 2.157 3.728 ( 0.000 -1.829 0.000) 1.829 3.782 ( 0.000 4.311 0.000) 4.311 3.850 ( 0.000 2.981 0.000) 2.981 4.008 ( 0.000 4.703 0.000) 4.703 4.030 ( 0.000 -1.209 0.000) 1.209 4.111 ( 0.000 4.949 0.000) 4.949 4.115 ( 0.000 0.879 0.000) 0.879 4.306 ( 0.000 4.093 0.000) 4.093 4.347 ( 0.000 -3.181 0.000) 3.181 4.379 ( 0.000 -1.660 0.000) 1.660 4.387 ( 0.000 -3.369 0.000) 3.369 4.572 ( 0.000 -1.414 0.000) 1.414 4.643 ( 0.000 -2.058 0.000) 2.058 4.777 ( 0.000 -1.134 0.000) 1.134 4.828 ( 0.000 1.523 0.000) 1.523 4.848 ( 0.000 -1.069 0.000) 1.069 4.962 ( 0.000 -2.009 0.000) 2.009 4.988 ( 0.000 4.560 0.000) 4.560 5.204 ( 0.000 2.146 0.000) 2.146 5.229 ( 0.000 6.736 0.000) 6.736 5.371 ( 0.000 -7.126 0.000) 7.126 5.396 ( 0.000 -4.376 0.000) 4.376 5.596 ( 0.000 0.608 0.000) 0.608 5.762 ( 0.000 6.674 0.000) 6.674 5.777 ( 0.000 -0.377 0.000) 0.377 5.854 ( 0.000 -6.293 0.000) 6.293 6.015 ( 0.000 -1.404 0.000) 1.404 6.231 ( 0.000 5.339 0.000) 5.339 6.263 ( 0.000 -3.806 0.000) 3.806 6.427 ( 0.000 1.084 0.000) 1.084 6.635 ( 0.000 1.583 0.000) 1.583 6.653 ( 0.000 -3.675 0.000) 3.675 6.723 ( 0.000 -5.973 0.000) 5.973 6.829 ( 0.000 0.037 0.000) 0.037 6.943 ( 0.000 -2.318 0.000) 2.318 7.016 ( 0.000 -2.257 0.000) 2.257 7.132 ( 0.000 -1.062 0.000) 1.062 7.144 ( 0.000 0.969 0.000) 0.969 7.250 ( 0.000 -2.377 0.000) 2.377 7.403 ( 0.000 -0.426 0.000) 0.426 7.416 ( 0.000 2.988 0.000) 2.988 7.616 ( 0.000 1.957 0.000) 1.957 7.662 ( 0.000 3.480 0.000) 3.480 7.684 ( 0.000 1.929 0.000) 1.929 7.790 ( 0.000 -1.860 0.000) 1.860 7.895 ( 0.000 -1.692 0.000) 1.692 7.952 ( 0.000 -2.885 0.000) 2.885 8.031 ( 0.000 0.291 0.000) 0.291 8.047 ( 0.000 -5.270 0.000) 5.270 8.170 ( 0.000 4.229 0.000) 4.229 8.296 ( 0.000 1.200 0.000) 1.200 8.413 ( 0.000 4.367 0.000) 4.367 8.482 ( 0.000 0.260 0.000) 0.260 8.606 ( 0.000 3.204 0.000) 3.204 8.632 ( 0.000 -0.352 0.000) 0.352 10.396 ( 0.000 20.039 0.000) 20.039 10.673 ( 0.000 16.547 0.000) 16.547 11.984 ( 0.000 -7.082 0.000) 7.082 12.067 ( 0.000 -6.057 0.000) 6.057 12.336 ( 0.000 5.612 0.000) 5.612 12.924 ( 0.000 17.519 0.000) 17.519 13.002 ( 0.000 19.640 0.000) 19.640 13.517 ( 0.000 -8.551 0.000) 8.551 13.557 ( 0.000 -7.045 0.000) 7.045 13.915 ( 0.000 9.735 0.000) 9.735 14.241 ( 0.000 7.043 0.000) 7.043 14.691 ( 0.000 -25.778 0.000) 25.778 15.279 ( 0.000 9.361 0.000) 9.361 15.285 ( 0.000 12.490 0.000) 12.490 15.430 ( 0.000 -3.597 0.000) 3.597 15.464 ( 0.000 -3.936 0.000) 3.936 15.759 ( 0.000 6.139 0.000) 6.139 15.815 ( 0.000 4.157 0.000) 4.157 16.147 ( 0.000 -3.936 0.000) 3.936 16.204 ( 0.000 -3.560 0.000) 3.560 17.168 ( 0.000 15.182 0.000) 15.182 17.244 ( 0.000 -4.442 0.000) 4.442 17.350 ( 0.000 4.322 0.000) 4.322 17.520 ( 0.000 -5.114 0.000) 5.114 17.703 ( 0.000 -6.251 0.000) 6.251 17.855 ( 0.000 -10.375 0.000) 10.375 18.170 ( 0.000 -0.420 0.000) 0.420 18.324 ( 0.000 -16.406 0.000) 16.406 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 9.325 16.610 13.138) 23.140 1.258 ( 2.106 25.841 8.877) 27.404 1.369 ( 11.436 17.978 -0.696) 21.319 1.710 ( 2.908 -1.120 -11.893) 12.294 1.803 ( -2.730 1.626 6.340) 7.092 1.922 ( -8.516 3.820 -2.341) 9.623 2.014 ( 2.312 5.533 -6.375) 8.752 2.096 ( -3.309 0.783 2.124) 4.009 2.136 ( 6.684 4.925 1.271) 8.399 2.203 ( -11.072 1.740 -6.064) 12.743 2.311 ( -1.339 7.001 0.932) 7.188 2.437 ( 0.201 0.426 -0.417) 0.629 2.572 ( -2.655 0.990 1.885) 3.404 2.634 ( -2.743 5.642 0.215) 6.278 2.748 ( -0.164 -2.372 0.622) 2.458 2.792 ( 3.235 -8.054 -6.000) 10.551 2.828 ( -2.408 5.764 2.478) 6.721 2.945 ( 1.640 -3.574 4.018) 5.623 2.987 ( -3.119 0.813 -2.114) 3.855 3.112 ( 0.189 2.739 -1.749) 3.255 3.220 ( 1.644 -6.001 0.810) 6.275 3.396 ( -4.941 -2.580 0.264) 5.580 3.524 ( -0.490 0.766 -4.778) 4.863 3.572 ( 1.271 4.599 -0.215) 4.776 3.643 ( -2.654 -2.692 2.668) 4.627 3.731 ( 1.293 1.558 -1.508) 2.525 3.842 ( -1.173 1.808 8.612) 8.877 3.910 ( 0.470 1.879 2.244) 2.964 4.001 ( 3.402 3.999 -4.278) 6.772 4.025 ( 1.281 4.476 -5.322) 7.071 4.089 ( 1.084 0.894 1.536) 2.081 4.185 ( -1.233 -0.256 3.659) 3.869 4.242 ( -1.437 3.626 -0.252) 3.909 4.278 ( -1.769 -1.076 -4.790) 5.218 4.414 ( 1.650 -1.089 -1.867) 2.719 4.460 ( 0.113 -0.576 2.529) 2.596 4.582 ( -1.585 0.110 4.996) 5.243 4.654 ( 1.409 -4.442 -0.391) 4.676 4.684 ( -3.741 1.195 0.124) 3.929 4.810 ( -0.039 -0.400 -4.024) 4.044 4.897 ( 0.377 2.144 3.542) 4.157 4.930 ( 0.107 -1.696 4.099) 4.437 5.107 ( 2.751 2.077 0.258) 3.457 5.165 ( 2.703 0.924 -5.019) 5.775 5.236 ( -1.485 -1.540 -2.618) 3.381 5.300 ( 0.249 -5.231 -5.948) 7.925 5.433 ( -1.926 -2.186 4.725) 5.552 5.594 ( -3.678 -0.147 2.778) 4.612 5.652 ( -4.910 0.594 3.269) 5.929 5.828 ( -0.894 2.866 5.472) 6.242 5.888 ( 4.048 2.075 1.520) 4.796 5.997 ( -0.708 -2.130 -2.801) 3.589 6.246 ( 1.740 1.840 -0.902) 2.688 6.368 ( 6.538 -2.047 0.741) 6.891 6.462 ( 1.739 -0.535 -1.447) 2.325 6.584 ( -2.223 -0.839 2.260) 3.279 6.668 ( 2.651 -1.067 -0.782) 2.962 6.744 ( 1.675 -5.469 -0.679) 5.760 6.818 ( -2.259 0.278 1.284) 2.613 6.893 ( -4.168 -1.121 -2.630) 5.055 7.033 ( 1.123 -2.571 1.734) 3.298 7.113 ( -0.145 -1.128 1.679) 2.028 7.186 ( 1.117 0.883 2.782) 3.125 7.268 ( 0.767 -0.974 -1.702) 2.105 7.373 ( 2.097 -2.172 -4.709) 5.594 7.416 ( 1.901 -0.522 -4.390) 4.812 7.605 ( -3.301 2.870 -0.886) 4.463 7.665 ( -0.100 2.005 3.198) 3.775 7.677 ( -0.144 1.305 0.965) 1.630 7.823 ( 2.112 -1.906 0.559) 2.899 7.890 ( -0.410 -1.058 -0.220) 1.156 7.977 ( 0.337 -0.265 -1.371) 1.436 8.014 ( -2.915 -4.933 0.981) 5.814 8.045 ( 2.157 1.014 1.888) 3.041 8.121 ( -1.739 3.113 -4.182) 5.495 8.284 ( -1.488 0.563 0.429) 1.648 8.431 ( 1.221 4.091 0.538) 4.303 8.497 ( 0.046 0.864 1.739) 1.942 8.564 ( -1.781 2.328 -1.754) 3.415 8.661 ( 0.441 1.432 1.732) 2.290 10.379 ( -1.300 19.717 -0.357) 19.763 10.643 ( -1.337 18.931 -1.543) 19.041 11.918 ( -5.033 -4.450 -1.059) 6.801 12.085 ( 2.557 -5.906 1.086) 6.526 12.512 ( 9.849 2.690 4.960) 11.350 12.865 ( -1.403 15.658 -6.330) 16.947 13.080 ( 1.876 15.930 10.204) 19.011 13.276 ( -14.122 -7.318 -1.434) 15.970 13.458 ( -0.338 -7.775 -13.424) 15.516 14.134 ( 12.043 12.407 2.815) 17.518 14.361 ( 5.548 13.792 7.120) 16.483 14.710 ( -0.673 -23.346 1.561) 23.408 15.259 ( -1.176 8.973 -0.675) 9.075 15.311 ( -2.422 9.393 8.118) 12.649 15.416 ( -0.624 -2.678 0.184) 2.756 15.472 ( 0.030 -5.495 -1.435) 5.680 15.766 ( 4.579 5.403 -4.267) 8.269 15.795 ( 1.587 3.261 -8.008) 8.791 16.024 ( -4.977 -2.699 -2.383) 6.142 16.122 ( -4.950 -2.653 -1.340) 5.773 17.171 ( -0.320 5.607 0.724) 5.663 17.234 ( -0.543 0.199 1.065) 1.212 17.414 ( 1.809 3.813 4.640) 6.272 17.481 ( -2.379 -6.934 -0.119) 7.331 17.807 ( -0.424 -10.360 -6.107) 12.034 17.863 ( 7.386 -4.230 3.405) 9.168 18.203 ( -2.641 -9.536 0.202) 9.897 18.276 ( -1.069 -7.314 2.376) 7.764 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 1.910 16.437 17.238) 23.895 1.438 ( 12.091 18.909 -2.469) 22.579 1.490 ( 1.007 -0.639 -5.246) 5.380 1.611 ( -2.356 2.832 -12.002) 12.555 1.798 ( -7.777 -3.725 5.996) 10.503 1.835 ( 0.104 -2.932 -5.715) 6.424 1.883 ( -0.181 7.778 -5.044) 9.272 1.974 ( -6.086 10.118 1.716) 11.932 2.096 ( -0.416 1.306 -5.855) 6.013 2.249 ( 1.545 -1.984 2.540) 3.574 2.371 ( 0.356 -0.511 5.567) 5.602 2.474 ( -0.353 2.667 7.456) 7.926 2.482 ( -2.005 -0.460 -1.994) 2.865 2.555 ( 0.808 -0.325 -0.392) 0.955 2.688 ( -0.895 -0.986 -8.459) 8.563 2.822 ( -0.084 -1.631 4.035) 4.353 2.851 ( -0.952 7.038 2.739) 7.612 2.936 ( 0.539 -0.430 -0.697) 0.981 2.939 ( -1.372 1.303 3.484) 3.965 3.094 ( -0.286 3.159 -5.143) 6.042 3.314 ( 3.380 -1.596 3.753) 5.297 3.384 ( 1.984 -0.522 4.405) 4.859 3.491 ( -2.659 2.580 1.607) 4.038 3.568 ( 0.556 4.033 -3.372) 5.287 3.626 ( -2.627 -2.166 1.878) 3.888 3.718 ( -1.004 4.334 -5.024) 6.710 3.869 ( -2.231 -0.582 6.173) 6.590 3.926 ( 0.906 4.986 -0.172) 5.070 3.995 ( 0.629 0.000 -1.825) 1.930 4.061 ( 5.588 4.903 -5.786) 9.421 4.126 ( 0.350 2.145 1.212) 2.488 4.150 ( -2.120 0.428 1.109) 2.431 4.186 ( -0.318 1.297 -2.444) 2.785 4.297 ( 2.864 1.767 -4.601) 5.700 4.343 ( -5.788 3.605 2.032) 7.116 4.400 ( -3.285 2.099 -1.743) 4.271 4.654 ( 0.178 0.737 7.600) 7.638 4.682 ( 0.115 -2.933 0.959) 3.088 4.694 ( 3.382 -2.699 0.229) 4.333 4.747 ( -1.863 -1.290 -3.498) 4.167 4.908 ( 0.481 2.094 0.047) 2.149 5.022 ( 1.385 -4.165 5.041) 6.684 5.105 ( -0.618 2.314 -4.665) 5.244 5.128 ( 1.041 0.531 -3.189) 3.396 5.191 ( 0.013 -4.644 1.800) 4.981 5.263 ( -4.411 -5.203 -1.398) 6.963 5.423 ( 0.834 -0.507 -1.356) 1.671 5.487 ( -7.233 0.596 0.032) 7.257 5.713 ( 3.023 -0.262 7.607) 8.190 5.847 ( 1.429 1.260 -0.383) 1.943 5.934 ( -1.605 -2.748 -3.965) 5.085 6.062 ( 6.536 4.214 7.592) 10.868 6.237 ( -1.386 -0.454 -1.385) 2.011 6.414 ( -2.921 0.595 -1.421) 3.303 6.490 ( 4.899 -0.361 0.686) 4.960 6.570 ( -1.316 0.396 -1.309) 1.899 6.728 ( 1.919 -2.220 -1.654) 3.369 6.757 ( -3.205 2.154 0.480) 3.891 6.795 ( 1.429 -3.481 -2.834) 4.711 6.843 ( 1.787 -4.510 5.641) 7.440 7.021 ( -3.168 -2.982 -0.514) 4.381 7.147 ( 1.137 -1.686 1.685) 2.641 7.235 ( 2.176 -2.899 1.105) 3.790 7.271 ( 1.700 -0.594 -1.590) 2.402 7.378 ( -0.767 -3.817 -3.411) 5.176 7.430 ( 5.306 -2.615 -1.233) 6.043 7.533 ( -1.615 4.019 -1.914) 4.735 7.676 ( 0.195 1.737 -1.004) 2.016 7.688 ( -2.415 0.129 4.035) 4.704 7.823 ( -2.442 1.085 -0.842) 2.802 7.883 ( 0.391 -1.354 -0.749) 1.596 7.952 ( -2.920 -0.795 2.772) 4.104 7.981 ( 0.657 -1.555 -0.855) 1.892 8.054 ( -0.939 1.995 -3.112) 3.814 8.139 ( 3.991 2.366 1.874) 5.004 8.261 ( -0.886 -0.689 -0.004) 1.122 8.450 ( 0.424 2.393 -0.425) 2.468 8.498 ( -1.130 5.253 -0.003) 5.374 8.527 ( -0.699 0.612 0.290) 0.973 8.674 ( -0.418 2.487 1.164) 2.777 10.353 ( -0.863 19.079 -0.252) 19.100 10.616 ( -0.245 20.681 -0.818) 20.698 11.824 ( -3.402 -2.972 -0.573) 4.554 12.159 ( 3.339 -4.740 0.839) 5.859 12.631 ( -0.128 1.002 -0.354) 1.070 12.773 ( -2.253 11.632 -4.319) 12.611 13.081 ( -8.224 -5.974 11.228) 15.146 13.192 ( 1.736 0.997 -9.855) 10.057 13.509 ( 15.614 1.000 5.671) 16.642 14.327 ( 6.409 14.922 0.622) 16.252 14.484 ( 1.369 21.932 2.577) 22.125 14.574 ( -13.198 -8.177 -5.609) 16.508 15.231 ( -0.155 3.564 -1.073) 3.726 15.330 ( -1.836 3.137 4.188) 5.546 15.390 ( -0.758 -2.271 -3.504) 4.244 15.434 ( -0.641 -1.632 -3.293) 3.730 15.796 ( 3.434 -3.799 5.394) 7.438 15.893 ( 3.948 -2.484 3.888) 6.072 16.033 ( 5.964 0.537 -0.713) 6.030 16.062 ( 0.784 0.148 -0.225) 0.829 17.104 ( -5.517 -8.655 -0.322) 10.269 17.297 ( 3.612 3.247 0.511) 4.884 17.346 ( -5.256 -4.570 -3.083) 7.617 17.491 ( -1.757 0.505 2.397) 3.015 17.763 ( 3.964 -10.250 -6.414) 12.725 18.007 ( 0.499 -5.647 1.053) 5.766 18.050 ( -3.481 -8.763 -0.619) 9.450 18.322 ( -1.027 1.511 2.909) 3.436 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -0.000 1.744 -0.000) 1.744 1.443 ( 0.000 14.860 0.000) 14.860 1.530 ( -0.000 3.671 -0.000) 3.671 1.629 ( 0.001 -5.179 -0.000) 5.179 1.630 ( -0.001 12.996 0.000) 12.996 1.865 ( 0.000 5.742 -0.000) 5.742 1.894 ( -0.000 8.516 0.000) 8.516 1.949 ( -0.000 1.972 -0.000) 1.972 1.955 ( 0.000 -3.795 0.000) 3.795 2.243 ( 0.000 -14.063 -0.000) 14.063 2.375 ( 0.000 1.927 0.000) 1.927 2.441 ( -0.000 3.217 -0.000) 3.217 2.555 ( -0.000 -3.896 -0.000) 3.896 2.566 ( 0.000 2.616 0.000) 2.616 2.723 ( -0.000 3.096 -0.000) 3.096 2.804 ( 0.000 -1.415 0.000) 1.415 2.902 ( -0.000 3.682 -0.000) 3.682 2.933 ( 0.000 0.544 -0.000) 0.544 2.996 ( -0.000 5.933 -0.000) 5.933 3.008 ( 0.000 2.048 0.000) 2.048 3.377 ( 0.000 -3.063 0.000) 3.063 3.471 ( 0.000 -1.612 -0.000) 1.612 3.473 ( -0.000 2.827 0.000) 2.827 3.490 ( -0.000 4.405 -0.000) 4.405 3.605 ( -0.000 5.976 0.000) 5.976 3.669 ( 0.000 5.665 -0.000) 5.665 3.896 ( 0.000 0.361 0.000) 0.361 3.929 ( 0.000 3.910 -0.000) 3.910 3.984 ( 0.000 -3.689 0.000) 3.689 4.085 ( 0.000 1.872 -0.000) 1.872 4.119 ( 0.000 3.529 -0.000) 3.529 4.132 ( -0.000 4.373 0.000) 4.373 4.210 ( -0.000 1.398 0.000) 1.398 4.261 ( -0.000 4.262 0.000) 4.262 4.294 ( 0.000 3.671 -0.000) 3.671 4.394 ( -0.000 1.549 -0.000) 1.549 4.637 ( -0.000 -0.356 0.000) 0.356 4.706 ( -0.000 -1.681 0.000) 1.681 4.710 ( 0.000 -0.992 -0.000) 0.992 4.768 ( 0.000 -2.908 0.000) 2.908 4.920 ( 0.000 -2.224 0.000) 2.224 5.006 ( 0.000 0.386 -0.000) 0.386 5.095 ( -0.000 2.755 0.000) 2.755 5.161 ( -0.000 -0.934 0.000) 0.934 5.180 ( -0.000 -5.490 0.000) 5.490 5.252 ( 0.000 -3.250 -0.000) 3.250 5.323 ( -0.000 0.280 -0.000) 0.280 5.464 ( 0.000 -2.151 -0.000) 2.151 5.829 ( 0.000 1.536 0.000) 1.536 5.836 ( -0.000 -1.250 -0.000) 1.250 5.890 ( 0.000 -2.653 -0.000) 2.653 6.176 ( 0.000 -5.145 0.000) 5.145 6.242 ( 0.000 5.899 0.000) 5.899 6.342 ( -0.000 4.206 -0.000) 4.206 6.508 ( 0.000 0.438 0.000) 0.438 6.580 ( 0.000 0.684 0.000) 0.684 6.724 ( 0.000 3.892 -0.000) 3.892 6.728 ( -0.000 -4.084 0.000) 4.084 6.804 ( 0.000 -2.711 0.000) 2.711 6.896 ( -0.000 -7.119 0.000) 7.119 6.983 ( 0.000 -2.586 0.000) 2.586 7.169 ( -0.000 -1.783 0.000) 1.783 7.251 ( -0.000 -4.237 -0.000) 4.237 7.316 ( 0.000 -2.115 -0.000) 2.115 7.318 ( -0.000 -4.838 0.000) 4.838 7.509 ( 0.000 3.796 0.000) 3.796 7.514 ( -0.000 -1.734 -0.000) 1.734 7.651 ( 0.000 -0.632 0.000) 0.632 7.675 ( -0.000 1.290 0.000) 1.290 7.788 ( 0.000 4.492 0.000) 4.492 7.883 ( -0.000 -2.183 0.000) 2.183 7.931 ( 0.000 -1.454 -0.000) 1.454 7.992 ( -0.000 0.442 0.000) 0.442 8.033 ( 0.000 1.268 -0.000) 1.268 8.194 ( -0.000 3.011 0.000) 3.011 8.253 ( 0.000 -1.275 -0.000) 1.275 8.444 ( -0.000 2.078 0.000) 2.078 8.485 ( -0.000 6.547 0.000) 6.547 8.526 ( -0.000 0.218 0.000) 0.218 8.675 ( 0.000 2.915 0.000) 2.915 10.344 ( 0.000 18.760 0.000) 18.760 10.611 ( 0.000 21.022 0.000) 21.022 11.788 ( 0.000 -2.612 -0.000) 2.612 12.199 ( 0.000 -3.660 0.000) 3.660 12.610 ( -0.000 -2.342 0.000) 2.342 12.721 ( -0.000 8.334 0.000) 8.334 13.100 ( -0.000 -6.825 0.000) 6.825 13.113 ( 0.000 4.946 -0.000) 4.946 13.857 ( 0.000 -2.440 0.000) 2.440 14.242 ( -0.000 -7.034 -0.000) 7.034 14.411 ( -0.000 22.456 0.000) 22.456 14.500 ( 0.000 26.444 -0.000) 26.444 15.230 ( 0.000 -0.949 0.000) 0.949 15.340 ( 0.000 2.778 0.000) 2.778 15.353 ( 0.000 -0.411 -0.000) 0.411 15.411 ( 0.000 -2.843 -0.000) 2.843 15.867 ( -0.000 -6.377 -0.000) 6.377 15.943 ( 0.000 -5.444 0.000) 5.444 16.115 ( -0.000 3.411 0.000) 3.411 16.117 ( 0.000 1.415 -0.000) 1.415 17.033 ( 0.000 -13.901 -0.000) 13.901 17.222 ( 0.000 -7.120 -0.000) 7.120 17.398 ( 0.000 4.897 0.000) 4.897 17.445 ( -0.000 0.253 0.000) 0.253 17.818 ( -0.000 -7.688 0.000) 7.688 17.877 ( 0.000 -18.726 0.000) 18.726 18.124 ( 0.000 3.285 0.000) 3.285 18.306 ( -0.000 3.638 -0.000) 3.638 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 0.000 19.927 0.000) 19.927 1.647 ( 0.000 10.486 0.000) 10.486 1.689 ( 0.000 5.094 0.000) 5.094 1.774 ( 0.000 18.487 0.000) 18.487 1.831 ( 0.000 2.815 0.000) 2.815 2.019 ( 0.000 -5.088 0.000) 5.088 2.052 ( 0.000 3.448 0.000) 3.448 2.117 ( 0.000 -1.884 0.000) 1.884 2.311 ( 0.000 7.310 0.000) 7.310 2.346 ( 0.000 -15.651 0.000) 15.651 2.438 ( 0.000 1.556 0.000) 1.556 2.473 ( 0.000 8.969 0.000) 8.969 2.555 ( 0.000 4.898 0.000) 4.898 2.683 ( 0.000 -0.007 0.000) 0.007 2.705 ( 0.000 -2.844 0.000) 2.844 2.807 ( 0.000 6.119 0.000) 6.119 2.854 ( 0.000 4.887 0.000) 4.887 2.921 ( 0.000 -0.553 0.000) 0.553 3.049 ( 0.000 2.893 0.000) 2.893 3.088 ( 0.000 -4.324 0.000) 4.324 3.147 ( 0.000 0.821 0.000) 0.821 3.288 ( 0.000 -5.724 0.000) 5.724 3.491 ( 0.000 -4.722 0.000) 4.722 3.595 ( 0.000 -4.940 0.000) 4.940 3.675 ( 0.000 -1.838 0.000) 1.838 3.843 ( 0.000 1.719 0.000) 1.719 3.872 ( 0.000 6.784 0.000) 6.784 3.882 ( 0.000 4.662 0.000) 4.662 3.984 ( 0.000 -3.683 0.000) 3.683 4.151 ( 0.000 3.634 0.000) 3.634 4.175 ( 0.000 9.151 0.000) 9.151 4.202 ( 0.000 0.152 0.000) 0.152 4.307 ( 0.000 -0.938 0.000) 0.938 4.343 ( 0.000 -0.936 0.000) 0.936 4.348 ( 0.000 5.453 0.000) 5.453 4.383 ( 0.000 1.340 0.000) 1.340 4.576 ( 0.000 2.301 0.000) 2.301 4.636 ( 0.000 -0.493 0.000) 0.493 4.779 ( 0.000 1.337 0.000) 1.337 4.815 ( 0.000 -1.635 0.000) 1.635 4.856 ( 0.000 1.465 0.000) 1.465 4.895 ( 0.000 -4.310 0.000) 4.310 5.111 ( 0.000 6.225 0.000) 6.225 5.196 ( 0.000 -3.219 0.000) 3.219 5.202 ( 0.000 -6.684 0.000) 6.684 5.350 ( 0.000 0.940 0.000) 0.940 5.376 ( 0.000 5.816 0.000) 5.816 5.576 ( 0.000 -2.766 0.000) 2.766 5.713 ( 0.000 -7.317 0.000) 7.317 5.740 ( 0.000 -3.885 0.000) 3.885 5.887 ( 0.000 4.790 0.000) 4.790 5.969 ( 0.000 -2.721 0.000) 2.721 6.217 ( 0.000 0.030 0.000) 0.030 6.327 ( 0.000 3.707 0.000) 3.707 6.454 ( 0.000 1.180 0.000) 1.180 6.494 ( 0.000 -8.324 0.000) 8.324 6.643 ( 0.000 -0.494 0.000) 0.494 6.706 ( 0.000 1.195 0.000) 1.195 6.822 ( 0.000 -0.237 0.000) 0.237 6.922 ( 0.000 -4.549 0.000) 4.549 6.939 ( 0.000 0.827 0.000) 0.827 7.135 ( 0.000 0.394 0.000) 0.394 7.154 ( 0.000 -0.582 0.000) 0.582 7.205 ( 0.000 -2.023 0.000) 2.023 7.383 ( 0.000 -0.742 0.000) 0.742 7.457 ( 0.000 0.022 0.000) 0.022 7.642 ( 0.000 0.901 0.000) 0.901 7.687 ( 0.000 0.598 0.000) 0.598 7.754 ( 0.000 2.638 0.000) 2.638 7.781 ( 0.000 1.203 0.000) 1.203 7.865 ( 0.000 -0.903 0.000) 0.903 7.892 ( 0.000 -2.254 0.000) 2.254 7.960 ( 0.000 -3.168 0.000) 3.168 8.025 ( 0.000 -0.991 0.000) 0.991 8.247 ( 0.000 3.120 0.000) 3.120 8.313 ( 0.000 0.463 0.000) 0.463 8.493 ( 0.000 0.774 0.000) 0.774 8.503 ( 0.000 3.596 0.000) 3.596 8.631 ( 0.000 0.610 0.000) 0.610 8.666 ( 0.000 2.427 0.000) 2.427 10.840 ( 0.000 22.543 0.000) 22.543 11.028 ( 0.000 17.506 0.000) 17.506 11.823 ( 0.000 -9.007 0.000) 9.007 11.905 ( 0.000 -9.886 0.000) 9.886 12.511 ( 0.000 11.475 0.000) 11.475 13.174 ( 0.000 1.043 0.000) 1.043 13.369 ( 0.000 -0.156 0.000) 0.156 13.445 ( 0.000 17.619 0.000) 17.619 13.510 ( 0.000 7.052 0.000) 7.052 14.112 ( 0.000 5.979 0.000) 5.979 14.178 ( 0.000 -20.067 0.000) 20.067 14.341 ( 0.000 2.585 0.000) 2.585 15.269 ( 0.000 -10.980 0.000) 10.980 15.279 ( 0.000 -11.376 0.000) 11.376 15.506 ( 0.000 10.953 0.000) 10.953 15.569 ( 0.000 14.447 0.000) 14.447 15.904 ( 0.000 6.050 0.000) 6.050 15.948 ( 0.000 6.751 0.000) 6.751 16.086 ( 0.000 -1.511 0.000) 1.511 16.143 ( 0.000 -2.219 0.000) 2.219 17.149 ( 0.000 -4.349 0.000) 4.349 17.300 ( 0.000 -1.186 0.000) 1.186 17.357 ( 0.000 -2.913 0.000) 2.913 17.576 ( 0.000 -6.010 0.000) 6.010 17.603 ( 0.000 5.171 0.000) 5.171 17.671 ( 0.000 -0.121 0.000) 0.121 17.955 ( 0.000 -16.728 0.000) 16.728 18.156 ( 0.000 -3.023 0.000) 3.023 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 7.305 16.746 10.365) 21.006 1.555 ( -2.356 0.102 -7.461) 7.824 1.707 ( -3.443 11.540 4.628) 12.901 1.767 ( -3.235 5.374 0.797) 6.323 1.850 ( 3.100 8.408 -4.474) 10.016 1.958 ( -6.359 -0.749 5.481) 8.429 2.049 ( -0.225 -0.650 -1.811) 1.937 2.108 ( -10.763 1.436 -4.866) 11.899 2.205 ( 4.995 -0.470 6.825) 8.470 2.235 ( -6.106 2.003 -0.136) 6.428 2.413 ( -2.276 2.756 -7.522) 8.328 2.423 ( -1.839 -3.058 -0.932) 3.688 2.590 ( -0.375 4.376 -4.626) 6.379 2.648 ( -3.127 -3.893 -5.391) 7.348 2.733 ( -2.903 5.330 6.605) 8.970 2.783 ( 4.014 4.345 1.151) 6.027 2.883 ( 4.122 -1.354 -6.160) 7.534 2.983 ( -1.166 -2.384 -2.212) 3.455 3.046 ( 1.735 8.955 1.270) 9.209 3.063 ( -2.694 -3.562 6.687) 8.042 3.152 ( 2.593 -1.488 -0.079) 2.991 3.346 ( 2.474 -2.020 6.390) 7.144 3.485 ( -0.549 -2.908 2.765) 4.050 3.594 ( -1.528 -1.418 1.665) 2.668 3.667 ( 0.493 1.166 -2.458) 2.765 3.783 ( -0.082 3.073 -2.947) 4.259 3.881 ( -3.637 4.311 4.500) 7.215 3.922 ( 3.262 0.160 -0.096) 3.267 4.039 ( 4.340 -3.972 -0.019) 5.883 4.125 ( -1.995 3.386 -1.611) 4.247 4.177 ( 1.393 0.746 -4.820) 5.072 4.189 ( -0.140 7.517 -1.369) 7.642 4.277 ( -1.032 0.747 -0.666) 1.437 4.319 ( 1.778 4.270 -1.038) 4.740 4.406 ( 1.689 2.706 0.382) 3.213 4.441 ( 1.480 -0.875 4.055) 4.405 4.601 ( -0.125 1.723 2.687) 3.195 4.635 ( -0.498 0.739 0.181) 0.909 4.727 ( -2.610 2.560 -0.383) 3.676 4.783 ( -0.763 -2.171 -3.694) 4.352 4.862 ( -0.802 -1.052 4.794) 4.973 4.917 ( 1.058 -3.347 -1.270) 3.733 5.140 ( 1.513 2.312 0.076) 2.764 5.165 ( -1.437 -4.631 -2.343) 5.385 5.200 ( 0.953 -2.475 -3.405) 4.316 5.245 ( -1.212 4.285 -8.543) 9.634 5.421 ( -0.279 0.917 2.655) 2.823 5.552 ( -3.083 -3.874 -1.078) 5.067 5.641 ( -0.737 -1.230 4.636) 4.853 5.843 ( 2.549 -3.722 0.409) 4.530 5.934 ( -2.957 -2.207 -0.785) 3.772 5.952 ( 3.676 3.008 5.295) 7.113 6.245 ( 1.288 0.095 -0.736) 1.487 6.368 ( 3.492 1.495 3.169) 4.947 6.447 ( -1.695 -1.753 -1.370) 2.797 6.500 ( 1.224 -4.538 2.969) 5.559 6.678 ( 4.065 -1.259 -3.057) 5.240 6.708 ( 1.204 2.848 1.930) 3.645 6.795 ( -3.728 -2.274 0.669) 4.418 6.905 ( -2.173 1.622 -1.033) 2.902 6.976 ( 2.629 -1.687 2.775) 4.179 7.090 ( -3.216 -0.952 1.360) 3.619 7.181 ( 0.314 -1.362 0.794) 1.608 7.229 ( 1.346 -2.829 -0.549) 3.181 7.333 ( 0.288 -1.230 -5.079) 5.234 7.407 ( -2.298 -1.318 -4.816) 5.496 7.661 ( -1.879 1.393 -0.263) 2.354 7.672 ( 1.111 1.020 0.621) 1.631 7.719 ( -1.866 1.442 0.498) 2.411 7.810 ( 1.864 0.655 -0.377) 2.011 7.879 ( 1.842 0.205 0.678) 1.973 7.932 ( -1.900 -2.536 2.747) 4.194 7.964 ( 0.567 -1.169 1.398) 1.908 8.035 ( 1.295 -1.379 1.775) 2.594 8.199 ( -1.448 3.579 -3.993) 5.554 8.292 ( -1.752 0.117 -0.627) 1.865 8.491 ( 0.677 1.718 -0.986) 2.093 8.522 ( -0.017 1.341 1.741) 2.198 8.622 ( 0.267 3.302 -0.869) 3.425 8.694 ( 1.289 1.622 1.102) 2.347 10.820 ( -1.666 22.632 -0.116) 22.694 11.026 ( 0.215 18.255 -0.418) 18.261 11.797 ( -3.537 -7.686 1.351) 8.568 11.931 ( 1.826 -9.590 2.827) 10.163 12.598 ( 4.775 5.699 1.175) 7.527 13.044 ( -6.841 -3.164 -9.832) 12.388 13.153 ( -12.517 0.300 0.393) 12.527 13.443 ( -1.128 13.221 -2.455) 13.494 13.493 ( 5.011 15.880 -4.012) 17.128 14.165 ( 0.927 -18.354 0.879) 18.398 14.444 ( 20.675 8.223 4.343) 22.670 14.600 ( 15.558 7.408 11.980) 20.987 15.259 ( -1.052 -9.508 -1.670) 9.711 15.269 ( 0.468 -10.901 -2.600) 11.217 15.482 ( -4.883 8.963 3.853) 10.910 15.540 ( -4.783 11.174 4.367) 12.916 15.858 ( -5.592 2.020 -3.920) 7.122 15.905 ( -2.809 6.161 -4.116) 7.924 16.007 ( -0.377 1.200 -1.094) 1.667 16.087 ( -3.178 0.034 0.527) 3.221 17.086 ( -6.100 -5.871 -1.396) 8.581 17.281 ( -1.534 -6.043 -2.970) 6.906 17.360 ( -0.194 -0.092 -0.115) 0.243 17.486 ( -1.632 0.634 1.643) 2.401 17.604 ( -0.303 -8.238 -6.100) 10.255 17.847 ( 4.381 -2.805 2.024) 5.582 17.903 ( 0.821 -7.939 1.181) 8.068 18.227 ( 4.079 -2.380 4.402) 6.456 ======================= Grid point 23 (15/80) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -1.344 -2.629 -6.547) 7.182 1.570 ( -4.385 6.311 9.847) 12.491 1.636 ( -3.535 1.137 3.609) 5.178 1.656 ( -3.856 0.475 -8.833) 9.650 1.773 ( -3.437 -0.931 -7.212) 8.043 1.880 ( -0.086 12.642 3.196) 13.040 1.928 ( -3.030 -5.198 0.957) 6.092 2.069 ( 0.053 4.118 -3.295) 5.274 2.154 ( -10.346 -1.745 -0.181) 10.494 2.269 ( -3.592 5.235 -0.876) 6.410 2.342 ( -0.302 1.165 0.495) 1.301 2.447 ( 4.255 -4.178 1.791) 6.227 2.532 ( 0.487 6.798 -1.671) 7.018 2.588 ( 2.586 -4.722 -5.984) 8.049 2.686 ( -1.376 7.018 6.235) 9.487 2.794 ( -0.758 1.437 1.412) 2.152 2.880 ( 2.771 -2.731 -6.898) 7.919 3.016 ( -1.163 6.242 3.692) 7.345 3.088 ( -0.897 -0.181 0.370) 0.987 3.114 ( 4.045 7.828 5.229) 10.246 3.247 ( 3.450 -3.705 5.185) 7.246 3.415 ( -0.440 2.738 5.216) 5.907 3.546 ( -1.286 -3.746 1.239) 4.150 3.582 ( 1.492 4.430 2.399) 5.254 3.645 ( 0.814 1.637 -1.591) 2.424 3.798 ( 2.723 2.604 -3.215) 4.953 3.864 ( -2.623 1.807 5.439) 6.303 3.971 ( 2.777 -0.313 -3.559) 4.525 4.042 ( -1.041 2.611 -2.474) 3.745 4.128 ( -0.852 -1.130 -1.417) 2.002 4.145 ( 2.343 1.744 0.874) 3.049 4.179 ( 1.042 2.941 -4.294) 5.308 4.253 ( -0.345 3.527 -1.896) 4.019 4.354 ( 2.888 4.072 -0.774) 5.052 4.408 ( -3.586 3.163 3.157) 5.730 4.440 ( -0.705 1.162 -3.499) 3.753 4.632 ( -0.198 -0.588 -0.712) 0.944 4.653 ( 2.196 0.524 5.205) 5.673 4.680 ( -3.680 -2.371 -0.834) 4.457 4.723 ( -0.154 1.479 -0.302) 1.517 4.888 ( -0.241 -4.768 -3.357) 5.837 4.953 ( 2.066 -1.667 4.281) 5.037 5.088 ( -2.949 -5.142 -2.921) 6.608 5.154 ( -0.573 1.265 1.155) 1.806 5.162 ( -0.237 -0.210 -3.729) 3.743 5.196 ( 2.710 3.824 -3.486) 5.841 5.436 ( 0.380 1.022 -0.077) 1.093 5.480 ( -5.043 -1.281 -0.520) 5.229 5.708 ( 2.211 -0.787 4.889) 5.424 5.840 ( -0.416 -5.051 -3.503) 6.161 5.887 ( -0.943 1.347 0.847) 1.849 6.060 ( 1.439 -3.231 1.549) 3.862 6.267 ( 1.126 2.795 3.383) 4.530 6.395 ( -1.787 -1.800 0.291) 2.553 6.498 ( 6.041 0.316 3.206) 6.846 6.559 ( 2.108 -0.598 -0.918) 2.375 6.695 ( 0.385 -2.185 -0.351) 2.247 6.747 ( -0.136 -1.434 -0.549) 1.542 6.787 ( -0.490 0.636 0.604) 1.005 6.835 ( -2.146 3.975 1.207) 4.676 6.990 ( -3.433 0.231 1.070) 3.603 7.080 ( 0.639 -4.684 3.336) 5.786 7.172 ( -0.694 -3.322 -1.581) 3.744 7.232 ( 1.508 -1.895 -2.384) 3.399 7.301 ( -2.825 -3.667 -4.828) 6.689 7.373 ( 5.893 -2.816 -1.444) 6.689 7.617 ( -2.184 3.050 -0.343) 3.767 7.678 ( -0.440 -0.882 -0.508) 1.109 7.693 ( -1.711 1.017 0.570) 2.070 7.841 ( 0.957 0.020 0.438) 1.052 7.898 ( -0.636 2.648 -0.288) 2.739 7.922 ( -1.778 -1.020 2.825) 3.490 7.974 ( 0.739 -0.093 1.418) 1.602 8.062 ( -0.962 -0.934 -0.216) 1.358 8.190 ( 2.910 2.187 0.112) 3.641 8.253 ( -0.828 -0.319 -1.560) 1.795 8.489 ( 0.071 1.645 -0.945) 1.899 8.531 ( -0.156 0.472 0.773) 0.920 8.622 ( 0.213 5.471 -0.528) 5.500 8.721 ( 0.541 1.921 0.683) 2.110 10.789 ( -1.286 22.808 0.106) 22.844 11.030 ( 0.474 19.429 -0.181) 19.435 11.739 ( -3.208 -5.826 1.058) 6.734 12.017 ( 2.833 -9.897 3.954) 11.027 12.556 ( -5.039 -4.918 -4.811) 8.528 12.793 ( -6.926 -8.162 -8.619) 13.743 13.151 ( 1.182 11.206 11.971) 16.440 13.396 ( 2.726 15.617 -8.802) 18.133 13.620 ( 9.318 8.896 2.406) 13.106 14.164 ( -2.617 -16.146 -0.504) 16.365 14.809 ( 13.852 18.296 -4.169) 23.324 14.954 ( 8.922 19.606 4.753) 22.059 15.160 ( -4.612 -5.758 -5.945) 9.475 15.225 ( -3.915 -7.013 0.832) 8.075 15.446 ( 0.513 2.718 1.441) 3.119 15.518 ( -1.440 1.744 4.516) 5.050 15.732 ( -3.253 0.087 5.347) 6.259 15.851 ( -5.222 0.353 6.552) 8.386 16.050 ( 5.188 1.478 -0.491) 5.417 16.118 ( 4.633 3.401 2.396) 6.226 16.888 ( -10.632 -11.140 -4.747) 16.115 17.137 ( -6.538 -12.996 -8.723) 16.963 17.385 ( 2.461 2.133 0.653) 3.321 17.487 ( -1.267 -1.515 1.300) 2.364 17.548 ( 1.956 -8.604 -6.816) 11.150 17.730 ( -6.826 -12.278 -0.594) 14.061 18.104 ( 7.677 5.263 4.105) 10.173 18.333 ( 1.794 -0.548 3.236) 3.740 ======================= Grid point 24 (16/80) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -0.000 -2.612 0.000) 2.612 1.479 ( 0.000 -6.024 0.000) 6.024 1.551 ( 0.000 1.232 0.000) 1.232 1.714 ( 0.000 6.374 0.000) 6.374 1.828 ( -0.000 -6.243 -0.000) 6.243 1.834 ( 0.000 -3.927 0.000) 3.927 1.924 ( 0.000 -9.647 0.000) 9.647 1.952 ( -0.000 14.458 0.000) 14.458 2.030 ( -0.000 8.508 -0.000) 8.508 2.249 ( -0.000 9.964 0.000) 9.964 2.379 ( 0.000 -1.528 0.000) 1.528 2.404 ( -0.000 -6.645 -0.000) 6.645 2.535 ( -0.000 4.914 0.000) 4.914 2.577 ( -0.000 -0.938 0.000) 0.938 2.760 ( -0.000 -1.809 0.000) 1.809 2.817 ( 0.000 6.706 -0.000) 6.706 2.958 ( -0.000 2.956 -0.000) 2.956 2.973 ( 0.000 0.262 -0.000) 0.262 3.072 ( -0.000 4.362 0.000) 4.362 3.181 ( -0.000 8.883 -0.000) 8.883 3.311 ( 0.000 -3.046 0.000) 3.046 3.460 ( 0.000 0.942 0.000) 0.942 3.523 ( 0.000 -0.071 0.000) 0.071 3.574 ( -0.000 4.564 -0.000) 4.564 3.712 ( 0.000 2.657 0.000) 2.657 3.764 ( -0.000 3.379 0.000) 3.379 3.894 ( 0.000 0.969 -0.000) 0.969 3.947 ( 0.000 1.335 0.000) 1.335 4.023 ( 0.000 5.072 0.000) 5.072 4.088 ( 0.000 -1.613 0.000) 1.613 4.186 ( -0.000 1.677 0.000) 1.677 4.190 ( 0.000 1.484 -0.000) 1.484 4.230 ( 0.000 0.067 0.000) 0.067 4.376 ( 0.000 3.380 0.000) 3.380 4.386 ( -0.000 6.119 -0.000) 6.119 4.421 ( -0.000 1.986 0.000) 1.986 4.582 ( -0.000 -3.628 0.000) 3.628 4.658 ( 0.000 -2.050 -0.000) 2.050 4.726 ( -0.000 2.609 -0.000) 2.609 4.732 ( 0.000 -0.814 0.000) 0.814 4.854 ( 0.000 -4.984 0.000) 4.984 4.978 ( 0.000 -3.090 -0.000) 3.090 5.044 ( 0.000 -6.374 -0.000) 6.374 5.123 ( -0.000 0.403 0.000) 0.403 5.167 ( -0.000 2.523 0.000) 2.523 5.272 ( 0.000 4.411 -0.000) 4.411 5.357 ( 0.000 2.283 0.000) 2.283 5.440 ( 0.000 -0.110 -0.000) 0.110 5.788 ( -0.000 -3.870 0.000) 3.870 5.808 ( 0.000 -3.622 -0.000) 3.622 5.879 ( 0.000 1.502 0.000) 1.502 6.053 ( 0.000 -5.548 0.000) 5.548 6.330 ( 0.000 2.101 0.000) 2.101 6.377 ( -0.000 -0.404 -0.000) 0.404 6.559 ( 0.000 3.368 0.000) 3.368 6.613 ( 0.000 2.854 -0.000) 2.854 6.699 ( 0.000 -1.487 0.000) 1.487 6.752 ( 0.001 -0.783 -0.000) 0.783 6.752 ( -0.001 -1.065 0.000) 1.065 6.776 ( 0.000 -3.105 -0.000) 3.105 7.000 ( 0.000 3.898 0.000) 3.898 7.122 ( 0.000 -2.753 0.000) 2.753 7.136 ( -0.000 -6.462 -0.000) 6.462 7.222 ( 0.000 -4.433 -0.000) 4.433 7.248 ( -0.000 -2.868 0.000) 2.868 7.454 ( 0.000 -3.890 0.000) 3.890 7.577 ( -0.000 2.057 0.000) 2.057 7.668 ( -0.000 2.788 -0.000) 2.788 7.674 ( 0.000 -1.347 -0.000) 1.347 7.847 ( -0.000 -1.456 0.000) 1.456 7.888 ( 0.000 4.672 0.000) 4.672 7.920 ( 0.000 0.419 -0.000) 0.419 7.997 ( 0.000 -0.213 0.000) 0.213 8.044 ( -0.000 -0.177 -0.000) 0.177 8.232 ( -0.000 0.720 0.000) 0.720 8.235 ( 0.000 -0.455 -0.000) 0.455 8.483 ( 0.000 1.774 0.000) 1.774 8.534 ( 0.000 0.413 0.000) 0.413 8.620 ( -0.000 6.141 0.000) 6.141 8.729 ( 0.000 2.175 0.000) 2.175 10.778 ( 0.000 22.863 0.000) 22.863 11.035 ( 0.000 19.984 0.000) 19.984 11.712 ( -0.000 -5.282 -0.000) 5.282 12.074 ( 0.000 -9.809 0.000) 9.809 12.468 ( -0.000 -7.107 0.000) 7.107 12.673 ( 0.000 -9.155 -0.000) 9.155 13.236 ( 0.000 15.598 0.000) 15.598 13.377 ( 0.000 16.752 0.000) 16.752 13.807 ( 0.000 -2.332 0.000) 2.332 14.071 ( -0.000 -8.253 0.000) 8.253 14.878 ( -0.000 20.453 0.000) 20.453 15.034 ( 0.000 19.061 -0.000) 19.061 15.088 ( -0.000 -2.102 -0.000) 2.102 15.193 ( -0.000 -7.815 0.000) 7.815 15.470 ( 0.000 5.716 0.000) 5.716 15.545 ( 0.000 6.202 -0.000) 6.202 15.762 ( -0.000 -2.303 -0.000) 2.303 15.832 ( 0.000 -3.431 0.000) 3.431 16.154 ( -0.000 1.515 -0.000) 1.515 16.201 ( 0.000 4.577 0.000) 4.577 16.716 ( 0.000 -16.335 -0.000) 16.335 16.983 ( 0.000 -17.731 0.000) 17.731 17.443 ( 0.000 -0.246 0.000) 0.246 17.451 ( -0.000 0.610 0.000) 0.610 17.543 ( -0.000 -11.412 0.000) 11.412 17.651 ( 0.000 -8.284 -0.000) 8.284 18.211 ( 0.000 4.772 0.000) 4.772 18.357 ( -0.000 1.179 -0.000) 1.179 ======================= Grid point 28 (17/80) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 0.000 17.565 0.000) 17.565 1.708 ( 0.000 1.546 0.000) 1.546 1.720 ( 0.000 1.858 0.000) 1.858 1.852 ( 0.000 -3.935 0.000) 3.935 1.938 ( 0.000 -9.491 0.000) 9.491 1.968 ( 0.000 -9.206 0.000) 9.206 2.074 ( 0.000 4.338 0.000) 4.338 2.106 ( 0.000 1.916 0.000) 1.916 2.283 ( 0.000 15.371 0.000) 15.371 2.392 ( 0.000 3.405 0.000) 3.405 2.502 ( 0.000 3.492 0.000) 3.492 2.532 ( 0.000 -4.637 0.000) 4.637 2.571 ( 0.000 -1.545 0.000) 1.545 2.609 ( 0.000 -8.670 0.000) 8.670 2.772 ( 0.000 8.592 0.000) 8.592 2.921 ( 0.000 2.261 0.000) 2.261 2.926 ( 0.000 0.678 0.000) 0.678 2.941 ( 0.000 -4.895 0.000) 4.895 2.991 ( 0.000 5.368 0.000) 5.368 3.061 ( 0.000 -0.229 0.000) 0.229 3.216 ( 0.000 1.931 0.000) 1.931 3.227 ( 0.000 -1.083 0.000) 1.083 3.408 ( 0.000 -1.739 0.000) 1.739 3.466 ( 0.000 -6.296 0.000) 6.296 3.686 ( 0.000 3.474 0.000) 3.474 3.812 ( 0.000 -7.910 0.000) 7.910 3.872 ( 0.000 1.133 0.000) 1.133 3.886 ( 0.000 -0.298 0.000) 0.298 4.117 ( 0.000 7.701 0.000) 7.701 4.182 ( 0.000 -0.764 0.000) 0.764 4.195 ( 0.000 2.547 0.000) 2.547 4.305 ( 0.000 -3.884 0.000) 3.884 4.331 ( 0.000 2.061 0.000) 2.061 4.356 ( 0.000 1.888 0.000) 1.888 4.384 ( 0.000 4.933 0.000) 4.933 4.474 ( 0.000 1.554 0.000) 1.554 4.622 ( 0.000 1.842 0.000) 1.842 4.657 ( 0.000 5.151 0.000) 5.151 4.721 ( 0.000 -5.215 0.000) 5.215 4.773 ( 0.000 -6.029 0.000) 6.029 4.892 ( 0.000 6.505 0.000) 6.505 4.923 ( 0.000 3.287 0.000) 3.287 5.056 ( 0.000 -4.620 0.000) 4.620 5.088 ( 0.000 -6.520 0.000) 6.520 5.284 ( 0.000 8.470 0.000) 8.470 5.423 ( 0.000 5.269 0.000) 5.269 5.462 ( 0.000 -8.159 0.000) 8.159 5.470 ( 0.000 2.764 0.000) 2.764 5.593 ( 0.000 -3.644 0.000) 3.644 5.617 ( 0.000 -6.620 0.000) 6.620 5.945 ( 0.000 0.267 0.000) 0.267 5.946 ( 0.000 1.034 0.000) 1.034 6.254 ( 0.000 3.276 0.000) 3.276 6.347 ( 0.000 -5.887 0.000) 5.887 6.390 ( 0.000 2.848 0.000) 2.848 6.447 ( 0.000 -2.159 0.000) 2.159 6.658 ( 0.000 2.658 0.000) 2.658 6.720 ( 0.000 -1.471 0.000) 1.471 6.820 ( 0.000 -0.148 0.000) 0.148 6.827 ( 0.000 -2.260 0.000) 2.260 7.017 ( 0.000 5.185 0.000) 5.185 7.112 ( 0.000 -3.419 0.000) 3.419 7.137 ( 0.000 0.225 0.000) 0.225 7.162 ( 0.000 -2.199 0.000) 2.199 7.387 ( 0.000 1.070 0.000) 1.070 7.423 ( 0.000 -2.332 0.000) 2.332 7.664 ( 0.000 1.280 0.000) 1.280 7.688 ( 0.000 -0.732 0.000) 0.732 7.784 ( 0.000 1.069 0.000) 1.069 7.804 ( 0.000 -0.183 0.000) 0.183 7.864 ( 0.000 0.408 0.000) 0.408 7.871 ( 0.000 -0.274 0.000) 0.274 7.935 ( 0.000 1.388 0.000) 1.388 7.987 ( 0.000 -2.632 0.000) 2.632 8.295 ( 0.000 1.564 0.000) 1.564 8.314 ( 0.000 -0.420 0.000) 0.420 8.513 ( 0.000 1.143 0.000) 1.143 8.532 ( 0.000 -0.390 0.000) 0.390 8.667 ( 0.000 2.282 0.000) 2.282 8.693 ( 0.000 0.001 0.000) 0.001 11.276 ( 0.000 19.418 0.000) 19.418 11.366 ( 0.000 15.538 0.000) 15.538 11.605 ( 0.000 -12.853 0.000) 12.853 11.664 ( 0.000 -13.637 0.000) 13.637 12.782 ( 0.000 14.141 0.000) 14.141 13.040 ( 0.000 -10.494 0.000) 10.494 13.378 ( 0.000 4.794 0.000) 4.794 13.568 ( 0.000 -10.058 0.000) 10.058 13.815 ( 0.000 13.295 0.000) 13.295 13.907 ( 0.000 0.735 0.000) 0.735 14.275 ( 0.000 5.638 0.000) 5.638 14.349 ( 0.000 -1.676 0.000) 1.676 15.049 ( 0.000 -8.188 0.000) 8.188 15.050 ( 0.000 -8.017 0.000) 8.017 15.727 ( 0.000 9.268 0.000) 9.268 15.800 ( 0.000 4.903 0.000) 4.903 15.975 ( 0.000 2.830 0.000) 2.830 16.026 ( 0.000 0.271 0.000) 0.271 16.089 ( 0.000 0.978 0.000) 0.978 16.112 ( 0.000 -1.272 0.000) 1.272 17.096 ( 0.000 -0.004 0.000) 0.004 17.168 ( 0.000 -6.720 0.000) 6.720 17.394 ( 0.000 3.082 0.000) 3.082 17.467 ( 0.000 -4.485 0.000) 4.485 17.548 ( 0.000 0.486 0.000) 0.486 17.666 ( 0.000 -10.661 0.000) 10.661 17.888 ( 0.000 10.589 0.000) 10.589 18.061 ( 0.000 -6.486 0.000) 6.486 ======================= Grid point 29 (18/80) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -6.703 2.485 -4.138) 8.260 1.669 ( -10.437 -7.351 2.941) 13.101 1.718 ( 3.881 14.184 8.329) 16.900 1.841 ( -4.809 4.186 -0.423) 6.390 1.922 ( -8.621 -0.907 1.416) 8.784 1.988 ( -2.312 -5.329 -0.912) 5.881 2.012 ( 1.502 -1.966 -4.969) 5.551 2.069 ( -0.673 -7.466 4.987) 9.004 2.294 ( 0.152 16.129 -3.771) 16.565 2.367 ( 3.624 5.598 -4.146) 7.852 2.419 ( -4.539 6.163 0.453) 7.668 2.449 ( -4.505 -2.060 -4.016) 6.378 2.571 ( -3.756 -2.609 -4.329) 6.297 2.619 ( 1.512 -8.022 -1.262) 8.260 2.736 ( 4.460 -0.673 0.056) 4.511 2.804 ( -8.811 -5.364 -1.512) 10.425 2.915 ( -4.173 7.445 3.424) 9.195 3.015 ( -0.608 -1.789 3.238) 3.749 3.022 ( 4.332 5.555 1.694) 7.246 3.121 ( 5.386 -1.521 1.391) 5.767 3.221 ( 0.857 5.644 2.281) 6.147 3.295 ( 3.141 -2.644 6.282) 7.504 3.443 ( 1.625 0.187 2.977) 3.397 3.519 ( 2.727 -5.537 2.252) 6.570 3.722 ( 4.027 4.876 -2.703) 6.878 3.812 ( 2.185 -0.448 -6.794) 7.151 3.883 ( 1.704 -3.803 2.606) 4.915 3.898 ( 1.151 -3.380 -1.383) 3.830 4.047 ( -4.517 5.693 -0.228) 7.271 4.137 ( -4.261 -2.224 0.116) 4.808 4.198 ( 1.375 4.024 -1.531) 4.520 4.272 ( -0.968 -1.196 1.057) 1.867 4.366 ( 2.556 3.505 -5.235) 6.799 4.390 ( 3.249 3.302 -0.953) 4.729 4.423 ( 0.256 1.395 4.584) 4.799 4.507 ( 1.558 2.150 0.799) 2.773 4.580 ( -3.621 -0.430 2.015) 4.166 4.682 ( -1.290 -2.224 0.031) 2.571 4.688 ( 0.429 0.146 -1.582) 1.646 4.758 ( -0.623 -2.624 -1.392) 3.035 4.877 ( -1.587 4.250 0.067) 4.537 4.934 ( 0.955 2.948 -0.087) 3.100 5.037 ( -1.190 -3.513 -0.444) 3.735 5.107 ( 1.445 -5.453 -0.152) 5.643 5.266 ( 0.289 5.740 -3.616) 6.791 5.336 ( -2.716 2.225 -6.742) 7.601 5.428 ( 0.648 -0.265 -2.911) 2.994 5.476 ( -0.647 -2.454 -2.282) 3.413 5.618 ( 1.488 -0.072 5.134) 5.346 5.693 ( 2.521 -7.567 3.403) 8.671 5.946 ( -0.711 1.837 0.859) 2.149 5.976 ( 0.942 -0.596 2.392) 2.639 6.287 ( 0.901 3.519 1.229) 3.835 6.370 ( -0.109 -4.392 1.355) 4.598 6.403 ( 1.652 1.855 2.691) 3.662 6.446 ( 0.852 -2.054 1.653) 2.771 6.667 ( 1.962 0.768 -1.932) 2.859 6.712 ( -0.717 -3.030 -0.672) 3.186 6.810 ( 0.589 4.226 2.182) 4.793 6.887 ( 2.245 -2.858 2.898) 4.648 7.024 ( -1.215 4.707 0.995) 4.962 7.077 ( -4.347 -0.332 -0.000) 4.359 7.139 ( 0.102 -2.069 -0.476) 2.126 7.158 ( 0.975 -3.829 0.125) 3.953 7.331 ( -1.412 0.978 -5.168) 5.446 7.365 ( -2.707 -2.241 -4.454) 5.673 7.668 ( -0.011 0.165 -0.585) 0.608 7.676 ( -0.389 -0.553 -1.352) 1.511 7.768 ( -0.615 2.880 -0.131) 2.947 7.816 ( 0.954 -1.255 -0.524) 1.662 7.891 ( 1.478 1.447 2.369) 3.144 7.932 ( 1.450 -0.996 -0.170) 1.767 7.934 ( -0.666 1.497 5.368) 5.612 7.992 ( 0.312 -2.725 1.739) 3.248 8.256 ( -1.714 2.042 -2.464) 3.631 8.285 ( -1.857 -0.884 -1.390) 2.483 8.518 ( 0.603 1.077 -0.557) 1.355 8.533 ( 0.034 -0.249 0.052) 0.256 8.686 ( 1.517 2.532 0.108) 2.954 8.713 ( 1.474 -0.048 0.456) 1.543 11.263 ( -1.660 19.783 0.928) 19.874 11.372 ( 0.497 15.495 0.480) 15.511 11.598 ( -2.103 -12.089 2.228) 12.471 11.686 ( 0.962 -14.169 2.682) 14.453 12.731 ( -4.528 7.112 -6.443) 10.611 12.891 ( -8.559 -8.557 -10.500) 16.022 13.272 ( -3.323 11.036 3.391) 12.014 13.537 ( -1.508 -10.102 4.631) 11.215 13.820 ( 3.212 12.491 -6.673) 14.521 13.923 ( 4.014 -0.891 -6.496) 7.688 14.609 ( 22.937 5.936 8.663) 25.227 14.673 ( 21.092 -0.087 12.744) 24.644 15.055 ( 1.461 -7.332 -0.156) 7.478 15.059 ( -0.020 -7.499 2.499) 7.905 15.654 ( -8.846 6.461 -0.637) 10.973 15.703 ( -8.920 2.517 -4.083) 10.128 15.922 ( -5.069 5.335 -1.085) 7.438 16.009 ( -4.246 3.671 -0.333) 5.623 16.013 ( -1.383 -0.544 2.797) 3.167 16.093 ( -1.640 -1.475 2.972) 3.701 17.008 ( -6.997 -0.481 -5.130) 8.690 17.096 ( -4.838 -8.574 -6.514) 11.805 17.403 ( 0.389 2.482 0.544) 2.570 17.455 ( -0.911 -2.460 0.759) 2.731 17.512 ( -0.803 0.074 -4.345) 4.419 17.616 ( -3.146 -9.377 -2.529) 10.209 18.018 ( 8.222 7.630 5.195) 12.361 18.151 ( 5.698 -5.158 4.459) 8.886 ======================= Grid point 30 (19/80) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -4.703 0.374 -3.688) 5.988 1.474 ( -10.342 -6.123 0.818) 12.047 1.658 ( -6.206 0.967 -3.455) 7.168 1.711 ( -9.180 -3.790 2.804) 10.320 1.813 ( -6.446 5.118 -5.480) 9.888 1.906 ( -1.956 4.217 2.300) 5.187 1.944 ( -4.699 -0.537 -1.970) 5.124 2.122 ( -0.728 -7.115 3.321) 7.885 2.230 ( 0.230 9.569 -2.043) 9.788 2.297 ( -1.863 0.431 -1.892) 2.690 2.347 ( -2.568 0.556 -2.366) 3.536 2.406 ( -3.851 -2.605 -5.773) 7.412 2.527 ( 5.046 2.692 -0.832) 5.780 2.644 ( 0.946 -5.079 0.919) 5.247 2.784 ( 2.144 6.514 -0.951) 6.924 2.812 ( 4.994 3.219 0.254) 5.947 2.949 ( 2.005 4.449 6.184) 7.877 3.019 ( -3.870 -3.955 8.034) 9.755 3.113 ( 2.228 2.044 1.137) 3.230 3.156 ( 1.106 -1.737 2.959) 3.605 3.306 ( 2.763 6.399 3.210) 7.674 3.418 ( 3.538 -4.396 2.881) 6.336 3.495 ( -0.587 2.866 4.281) 5.186 3.600 ( 1.495 -4.990 4.694) 7.012 3.716 ( 1.869 6.771 -7.308) 10.137 3.819 ( 4.055 -0.778 -7.168) 8.272 3.903 ( -0.536 -0.640 2.857) 2.976 3.931 ( 1.192 -2.053 1.355) 2.733 4.039 ( 3.101 0.321 0.832) 3.226 4.095 ( -0.735 -2.655 3.364) 4.348 4.218 ( 1.735 5.474 -2.672) 6.333 4.265 ( -2.487 4.071 -0.980) 4.870 4.296 ( -1.307 1.136 -7.094) 7.302 4.389 ( -1.060 -4.285 -3.078) 5.381 4.452 ( 0.444 4.958 2.034) 5.378 4.512 ( -0.728 5.158 -0.987) 5.302 4.574 ( -0.483 -5.461 2.869) 6.187 4.610 ( -3.695 -4.651 -2.217) 6.340 4.694 ( 1.037 2.983 -0.387) 3.181 4.743 ( -0.081 -1.063 0.655) 1.251 4.848 ( -1.760 2.306 -0.106) 2.903 4.927 ( -1.964 -3.915 -1.401) 4.598 5.019 ( -0.191 2.814 -0.340) 2.841 5.112 ( -0.164 -3.799 -1.724) 4.175 5.248 ( 0.884 4.692 -1.223) 4.929 5.282 ( 2.608 2.934 -1.690) 4.274 5.423 ( 0.890 -1.144 -3.187) 3.501 5.454 ( 1.005 -2.009 -1.002) 2.460 5.687 ( 0.450 -0.179 2.599) 2.644 5.731 ( -1.517 -4.311 3.145) 5.547 5.931 ( -1.022 2.643 -0.342) 2.854 5.991 ( -0.835 -3.196 -0.549) 3.349 6.317 ( 1.012 2.104 2.513) 3.430 6.357 ( -0.523 -1.857 0.507) 1.995 6.502 ( 4.769 0.659 3.597) 6.010 6.532 ( 4.247 -2.057 2.810) 5.492 6.681 ( 0.472 0.671 -0.977) 1.276 6.706 ( 0.945 -1.802 0.004) 2.035 6.849 ( -0.734 4.671 -0.289) 4.738 6.920 ( -6.812 3.780 -0.360) 7.799 6.967 ( 1.199 -5.129 2.925) 6.025 6.997 ( -2.974 -1.787 2.599) 4.335 7.127 ( -0.520 0.500 -1.885) 2.018 7.183 ( -0.445 -3.651 0.330) 3.693 7.269 ( 0.473 1.314 -6.399) 6.549 7.317 ( 3.733 -2.720 -2.602) 5.301 7.637 ( -2.146 0.277 -0.606) 2.247 7.653 ( -1.242 -1.304 -0.359) 1.836 7.756 ( -0.555 3.870 -0.254) 3.918 7.820 ( -0.256 -2.177 -0.191) 2.200 7.922 ( -0.373 1.375 2.403) 2.793 7.957 ( 1.465 -1.086 0.066) 1.824 7.967 ( -0.437 2.789 3.149) 4.229 8.025 ( 0.070 -2.464 1.439) 2.854 8.223 ( 0.577 1.211 -0.936) 1.636 8.243 ( -0.549 -0.715 -1.577) 1.816 8.519 ( 0.175 1.191 -0.718) 1.402 8.534 ( 0.110 -0.286 -0.077) 0.316 8.711 ( 0.948 3.049 -0.157) 3.197 8.742 ( 0.990 -0.076 0.245) 1.023 11.241 ( -1.498 20.251 1.140) 20.339 11.396 ( 1.092 16.350 0.927) 16.413 11.571 ( -2.553 -10.830 1.859) 11.281 11.745 ( 1.359 -16.196 3.691) 16.667 12.520 ( -6.510 1.825 -8.032) 10.499 12.620 ( -7.172 -7.418 -9.069) 13.737 13.397 ( 4.300 12.489 12.888) 18.454 13.605 ( 1.115 -2.736 6.650) 7.277 13.804 ( 4.381 9.034 -10.952) 14.857 13.926 ( 3.938 -4.691 -8.136) 10.184 14.963 ( 5.168 -1.614 -3.376) 6.381 15.016 ( 2.606 -6.748 -0.303) 7.240 15.209 ( 9.568 10.442 2.824) 14.441 15.308 ( 20.066 6.581 9.502) 23.157 15.422 ( -8.218 -2.244 -2.989) 9.028 15.481 ( -2.044 -3.816 0.870) 4.416 15.852 ( -4.272 9.595 4.198) 11.311 15.955 ( -5.272 7.777 5.841) 11.063 16.037 ( -2.100 -3.101 9.197) 9.930 16.133 ( 0.159 -3.492 9.014) 9.668 16.725 ( -11.693 -2.544 -14.161) 18.540 16.839 ( -10.139 -12.993 -15.397) 22.554 17.418 ( 0.791 1.219 0.234) 1.472 17.449 ( -0.270 -0.413 -0.203) 0.533 17.462 ( -0.530 -1.186 -2.324) 2.662 17.535 ( -2.526 -6.824 -1.393) 7.409 18.214 ( 6.228 5.064 4.016) 8.975 18.298 ( 4.079 -2.964 3.570) 6.177 ======================= Grid point 31 (20/80) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 0.000 -0.558 -0.000) 0.558 1.370 ( 0.000 -4.538 -0.000) 4.538 1.592 ( -0.000 2.299 0.000) 2.299 1.645 ( 0.000 -4.472 0.000) 4.472 1.718 ( -0.000 -3.154 -0.000) 3.154 1.738 ( 0.000 -4.411 0.000) 4.411 1.991 ( 0.000 8.640 0.000) 8.640 2.131 ( -0.000 -0.289 -0.000) 0.289 2.213 ( 0.000 7.004 -0.000) 7.004 2.269 ( -0.000 -0.361 -0.000) 0.361 2.307 ( 0.000 -3.434 0.000) 3.434 2.341 ( 0.000 -1.385 0.000) 1.385 2.591 ( 0.000 2.047 -0.000) 2.047 2.660 ( 0.000 -4.264 0.000) 4.264 2.747 ( -0.000 10.115 0.000) 10.115 2.902 ( 0.000 -3.965 0.000) 3.965 2.994 ( -0.000 5.556 0.000) 5.556 3.037 ( 0.000 2.757 -0.000) 2.757 3.135 ( -0.000 2.212 0.000) 2.212 3.218 ( 0.000 -4.805 0.000) 4.805 3.355 ( -0.000 6.752 0.000) 6.752 3.467 ( 0.000 -4.438 0.000) 4.438 3.513 ( 0.000 4.612 0.000) 4.612 3.637 ( 0.000 -4.545 -0.000) 4.545 3.709 ( 0.000 4.273 -0.000) 4.273 3.800 ( 0.000 -1.200 0.000) 1.200 3.941 ( -0.000 2.200 -0.000) 2.200 3.959 ( 0.000 -1.025 0.000) 1.025 4.084 ( -0.000 1.771 0.000) 1.771 4.109 ( 0.000 0.005 -0.000) 0.005 4.186 ( -0.000 1.731 0.000) 1.731 4.190 ( 0.000 0.111 -0.000) 0.111 4.270 ( -0.000 3.450 0.000) 3.450 4.374 ( 0.000 -4.305 -0.000) 4.305 4.472 ( 0.000 4.502 0.000) 4.502 4.494 ( -0.000 3.326 0.000) 3.326 4.529 ( -0.000 -1.181 -0.000) 1.181 4.598 ( 0.000 -6.223 -0.000) 6.223 4.716 ( 0.000 1.455 0.000) 1.455 4.762 ( -0.000 -0.949 -0.000) 0.949 4.813 ( 0.000 1.577 0.000) 1.577 4.879 ( -0.000 -4.893 -0.000) 4.893 5.012 ( 0.000 3.166 -0.000) 3.166 5.097 ( -0.000 -3.471 0.000) 3.471 5.255 ( 0.000 5.288 0.000) 5.288 5.346 ( 0.000 -3.152 -0.000) 3.152 5.389 ( -0.000 6.261 -0.000) 6.261 5.467 ( 0.000 0.280 0.000) 0.280 5.700 ( -0.000 -2.831 0.000) 2.831 5.725 ( 0.000 -3.916 -0.000) 3.916 5.915 ( 0.000 2.076 0.000) 2.076 5.967 ( 0.000 -3.121 0.000) 3.121 6.349 ( 0.000 0.451 0.000) 0.451 6.360 ( -0.000 -0.764 -0.000) 0.764 6.596 ( 0.000 0.543 -0.000) 0.543 6.627 ( -0.000 -3.059 0.000) 3.059 6.678 ( -0.000 2.597 0.000) 2.597 6.719 ( 0.000 -1.871 0.000) 1.871 6.773 ( 0.000 3.341 -0.000) 3.341 6.808 ( -0.000 1.732 0.000) 1.732 7.019 ( 0.000 -3.626 -0.000) 3.626 7.029 ( -0.000 -2.775 0.000) 2.775 7.095 ( 0.000 1.645 0.000) 1.645 7.143 ( -0.000 -3.119 -0.000) 3.119 7.259 ( 0.000 3.976 0.000) 3.976 7.361 ( 0.000 -5.145 0.000) 5.145 7.603 ( 0.000 1.138 0.000) 1.138 7.636 ( -0.000 -2.025 -0.000) 2.025 7.748 ( 0.000 4.128 -0.000) 4.128 7.813 ( 0.000 -2.218 0.000) 2.218 7.932 ( 0.000 1.547 -0.000) 1.547 7.973 ( -0.000 -2.054 0.000) 2.054 7.979 ( 0.000 3.370 -0.000) 3.370 8.028 ( -0.000 -1.482 0.000) 1.482 8.231 ( -0.000 -0.011 0.000) 0.011 8.234 ( 0.000 -0.196 -0.000) 0.196 8.515 ( 0.000 1.383 -0.000) 1.383 8.535 ( 0.000 -0.436 0.000) 0.436 8.719 ( 0.000 3.339 0.000) 3.339 8.753 ( 0.000 -0.080 0.000) 0.080 11.232 ( 0.000 20.368 0.000) 20.368 11.416 ( 0.000 17.765 0.000) 17.765 11.552 ( -0.000 -11.018 0.000) 11.018 11.783 ( 0.000 -17.651 0.000) 17.651 12.409 ( 0.000 1.246 0.000) 1.246 12.498 ( 0.000 -7.009 -0.000) 7.009 13.542 ( 0.000 12.164 0.000) 12.164 13.655 ( 0.000 5.272 0.000) 5.272 13.781 ( 0.000 2.795 -0.000) 2.795 13.918 ( -0.000 -7.030 0.000) 7.030 14.971 ( 0.000 -1.746 -0.000) 1.746 15.026 ( 0.000 -6.078 0.000) 6.078 15.185 ( -0.000 7.881 0.000) 7.881 15.288 ( 0.000 -1.400 0.000) 1.400 15.644 ( 0.000 7.737 -0.000) 7.737 15.672 ( -0.000 3.968 0.000) 3.968 15.821 ( -0.000 10.130 -0.000) 10.130 15.914 ( 0.000 13.525 -0.000) 13.525 16.115 ( 0.000 -6.469 0.000) 6.469 16.255 ( 0.000 -2.407 0.000) 2.407 16.446 ( 0.000 -6.930 -0.000) 6.930 16.546 ( 0.000 -20.192 0.000) 20.192 17.430 ( 0.000 -0.611 0.000) 0.611 17.444 ( 0.000 -0.842 -0.000) 0.842 17.446 ( -0.000 0.502 0.000) 0.502 17.503 ( 0.000 -5.604 -0.000) 5.604 18.300 ( 0.000 3.687 0.000) 3.687 18.353 ( -0.000 -1.457 -0.000) 1.457 ======================= Grid point 63 (21/80) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 10.601 0.000 26.153) 28.220 0.517 ( -8.301 0.000 27.179) 28.418 0.791 ( -5.425 0.000 39.500) 39.871 1.669 ( 1.422 0.000 -12.022) 12.106 1.704 ( 1.540 0.000 -2.981) 3.355 1.798 ( -0.059 0.000 -1.733) 1.734 1.838 ( -4.830 0.000 10.944) 11.963 1.962 ( -4.317 0.000 3.882) 5.806 2.016 ( 7.686 0.000 -11.744) 14.035 2.031 ( -1.009 0.000 6.226) 6.308 2.272 ( -10.071 0.000 -3.186) 10.563 2.385 ( -2.378 0.000 4.705) 5.272 2.385 ( 7.651 0.000 0.744) 7.687 2.570 ( -1.448 0.000 -2.767) 3.123 2.633 ( 3.454 0.000 -3.825) 5.154 2.809 ( 0.117 0.000 3.966) 3.967 2.906 ( -0.496 0.000 -4.707) 4.733 3.098 ( 2.149 0.000 -4.461) 4.951 3.107 ( 3.757 0.000 -12.081) 12.651 3.211 ( 4.669 0.000 -1.111) 4.799 3.251 ( -8.454 0.000 -1.036) 8.517 3.327 ( 2.324 0.000 1.136) 2.587 3.466 ( -1.027 0.000 2.333) 2.549 3.482 ( 3.583 0.000 -7.219) 8.059 3.638 ( 2.232 0.000 3.386) 4.055 3.643 ( -6.680 0.000 -2.344) 7.079 3.751 ( 5.307 0.000 1.758) 5.590 3.763 ( -2.260 0.000 7.332) 7.673 3.948 ( 4.979 0.000 -12.100) 13.085 4.032 ( 4.517 0.000 -8.393) 9.532 4.086 ( -0.022 0.000 7.210) 7.210 4.185 ( -3.531 0.000 -1.255) 3.748 4.261 ( 2.413 0.000 -1.661) 2.930 4.325 ( -5.322 0.000 -3.956) 6.631 4.490 ( 0.778 0.000 2.670) 2.781 4.540 ( -2.156 0.000 -3.078) 3.758 4.666 ( -5.329 0.000 2.668) 5.959 4.726 ( 5.078 0.000 -4.989) 7.119 4.783 ( 1.424 0.000 1.685) 2.206 4.830 ( -3.022 0.000 -0.722) 3.107 4.922 ( -2.942 0.000 -6.115) 6.786 5.004 ( -4.292 0.000 1.565) 4.568 5.089 ( 9.487 0.000 6.883) 11.721 5.142 ( 3.979 0.000 8.795) 9.653 5.399 ( -2.007 0.000 4.626) 5.042 5.455 ( 8.247 0.000 4.914) 9.600 5.536 ( 8.653 0.000 4.723) 9.858 5.724 ( 6.385 0.000 11.304) 12.983 5.739 ( -5.193 0.000 -2.785) 5.893 5.944 ( -6.287 0.000 -6.847) 9.296 6.003 ( 9.469 0.000 -0.078) 9.470 6.049 ( -3.557 0.000 -0.644) 3.614 6.172 ( 2.674 0.000 -3.175) 4.151 6.298 ( 3.803 0.000 -2.986) 4.835 6.406 ( -10.716 0.000 0.332) 10.721 6.437 ( 5.009 0.000 -2.744) 5.711 6.684 ( 3.421 0.000 -0.412) 3.446 6.686 ( -17.142 0.000 2.331) 17.300 6.877 ( -0.324 0.000 -2.260) 2.283 7.043 ( 5.279 0.000 -4.966) 7.248 7.044 ( 0.090 0.000 5.684) 5.685 7.087 ( -1.589 0.000 5.668) 5.887 7.166 ( -0.008 0.000 -0.580) 0.580 7.178 ( -0.291 0.000 0.788) 0.840 7.215 ( -2.703 0.000 -5.570) 6.191 7.365 ( 5.898 0.000 -0.433) 5.914 7.534 ( -0.786 0.000 1.383) 1.590 7.571 ( -2.023 0.000 1.094) 2.300 7.808 ( 1.567 0.000 1.395) 2.098 7.841 ( 0.482 0.000 -2.323) 2.372 7.850 ( 2.459 0.000 -1.102) 2.695 7.968 ( 1.644 0.000 -2.840) 3.281 7.997 ( -1.634 0.000 -2.412) 2.914 8.013 ( -2.303 0.000 -2.009) 3.057 8.253 ( -2.057 0.000 3.697) 4.231 8.290 ( 2.152 0.000 2.578) 3.358 8.342 ( -0.172 0.000 1.471) 1.481 8.471 ( -1.377 0.000 -2.026) 2.450 8.651 ( 1.013 0.000 2.843) 3.018 8.816 ( -6.371 0.000 -1.644) 6.580 9.940 ( 0.199 0.000 0.554) 0.589 10.001 ( -0.126 0.000 -0.986) 0.994 12.062 ( -5.296 0.000 -7.625) 9.284 12.115 ( 2.153 0.000 -5.993) 6.368 12.478 ( -3.731 0.000 7.333) 8.228 12.556 ( 14.894 0.000 16.420) 22.169 12.623 ( -5.790 0.000 12.367) 13.655 13.467 ( 7.376 0.000 -13.734) 15.589 13.670 ( -7.448 0.000 -12.503) 14.554 13.693 ( 7.860 0.000 -17.513) 19.196 14.132 ( -1.927 0.000 18.453) 18.554 15.109 ( -5.111 0.000 10.678) 11.839 15.156 ( -5.915 0.000 10.285) 11.865 15.256 ( 3.293 0.000 4.942) 5.938 15.302 ( 5.733 0.000 4.635) 7.372 15.612 ( 13.609 0.000 -11.785) 18.002 15.699 ( -14.984 0.000 -1.905) 15.105 15.846 ( 2.700 0.000 -5.307) 5.954 15.877 ( -19.634 0.000 -19.764) 27.859 15.928 ( 2.820 0.000 -4.860) 5.618 16.872 ( -0.380 0.000 21.595) 21.598 17.315 ( -0.399 0.000 -2.867) 2.894 17.333 ( 3.789 0.000 3.939) 5.466 17.707 ( 0.319 0.000 4.378) 4.390 18.027 ( -2.636 0.000 -7.824) 8.257 18.059 ( 3.526 0.000 -5.752) 6.747 18.415 ( 8.986 0.000 5.801) 10.696 18.696 ( -0.653 0.000 -2.374) 2.463 ======================= Grid point 64 (22/80) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 3.341 0.000 21.759) 22.014 0.836 ( 1.711 0.000 26.440) 26.496 1.245 ( 11.289 0.000 18.094) 21.326 1.493 ( -3.453 0.000 -20.350) 20.641 1.771 ( -1.119 0.000 4.678) 4.810 1.790 ( 0.926 0.000 -2.623) 2.781 1.848 ( 3.882 0.000 1.947) 4.343 1.936 ( -2.787 0.000 2.953) 4.061 2.070 ( 8.152 0.000 -4.589) 9.355 2.074 ( -5.899 0.000 -1.828) 6.176 2.190 ( 7.512 0.000 11.373) 13.630 2.368 ( -5.196 0.000 7.051) 8.758 2.463 ( 2.921 0.000 -6.005) 6.678 2.509 ( 1.792 0.000 -7.174) 7.395 2.616 ( 0.266 0.000 -4.961) 4.968 2.820 ( -5.903 0.000 3.549) 6.888 2.884 ( 0.755 0.000 -2.118) 2.249 3.006 ( -7.119 0.000 2.858) 7.671 3.081 ( 3.191 0.000 -14.556) 14.902 3.179 ( 8.158 0.000 1.335) 8.266 3.267 ( 1.187 0.000 -1.199) 1.687 3.318 ( -2.069 0.000 0.659) 2.172 3.442 ( 0.367 0.000 -7.595) 7.604 3.445 ( -1.811 0.000 0.826) 1.991 3.561 ( -0.764 0.000 -0.340) 0.836 3.660 ( -4.996 0.000 0.919) 5.080 3.802 ( 2.838 0.000 -5.184) 5.910 3.882 ( 4.110 0.000 2.746) 4.943 3.901 ( 0.822 0.000 -4.036) 4.118 4.061 ( 4.525 0.000 -4.385) 6.301 4.135 ( -1.766 0.000 5.009) 5.311 4.140 ( -5.075 0.000 -7.523) 9.075 4.173 ( 2.080 0.000 3.275) 3.880 4.230 ( -2.812 0.000 -6.268) 6.870 4.416 ( -6.321 0.000 0.189) 6.324 4.476 ( -5.063 0.000 3.156) 5.966 4.591 ( -4.185 0.000 -1.272) 4.375 4.723 ( -0.506 0.000 -2.775) 2.821 4.791 ( -1.833 0.000 5.539) 5.834 4.826 ( 3.660 0.000 2.130) 4.235 4.975 ( -6.390 0.000 3.301) 7.193 4.987 ( 10.172 0.000 -1.789) 10.328 5.129 ( -5.933 0.000 0.953) 6.009 5.343 ( 4.261 0.000 6.003) 7.362 5.356 ( -0.245 0.000 5.108) 5.114 5.416 ( -8.759 0.000 1.156) 8.835 5.611 ( -11.051 0.000 -0.410) 11.058 5.653 ( -12.813 0.000 -6.099) 14.190 5.737 ( 1.372 0.000 13.305) 13.376 5.876 ( -7.355 0.000 5.264) 9.045 5.899 ( -1.568 0.000 9.015) 9.150 5.969 ( -3.531 0.000 -2.523) 4.340 6.163 ( 4.955 0.000 -1.609) 5.210 6.239 ( 9.424 0.000 -5.684) 11.005 6.320 ( 0.715 0.000 -1.471) 1.636 6.509 ( 4.601 0.000 -2.545) 5.258 6.765 ( 1.633 0.000 -7.157) 7.341 6.837 ( 2.382 0.000 0.710) 2.486 6.916 ( 9.505 0.000 4.404) 10.476 7.045 ( 2.231 0.000 -6.628) 6.994 7.072 ( -2.501 0.000 2.190) 3.325 7.109 ( 1.451 0.000 4.152) 4.398 7.138 ( -3.474 0.000 1.791) 3.908 7.228 ( 4.590 0.000 1.935) 4.981 7.257 ( 8.452 0.000 -5.065) 9.853 7.450 ( 4.130 0.000 -5.393) 6.793 7.502 ( -5.572 0.000 -0.057) 5.572 7.566 ( 2.494 0.000 1.638) 2.984 7.819 ( -2.150 0.000 1.050) 2.393 7.835 ( 0.441 0.000 -2.756) 2.791 7.893 ( 3.212 0.000 -0.912) 3.339 7.908 ( -2.422 0.000 -3.030) 3.880 7.959 ( 0.316 0.000 -1.462) 1.495 7.997 ( 0.794 0.000 -1.012) 1.286 8.213 ( -5.041 0.000 2.643) 5.692 8.337 ( 0.003 0.000 2.505) 2.505 8.368 ( 0.089 0.000 2.826) 2.828 8.412 ( -1.964 0.000 -2.829) 3.444 8.652 ( -7.958 0.000 2.702) 8.405 8.673 ( -2.003 0.000 3.422) 3.965 9.959 ( 0.878 0.000 0.802) 1.189 9.993 ( 0.577 0.000 -1.235) 1.363 11.916 ( -3.724 0.000 -3.702) 5.251 12.131 ( 4.680 0.000 -4.011) 6.163 12.486 ( -3.299 0.000 7.646) 8.328 12.620 ( -7.375 0.000 11.892) 13.994 13.036 ( 18.868 0.000 11.549) 22.122 13.398 ( -4.129 0.000 -18.113) 18.578 13.517 ( 9.643 0.000 -10.386) 14.172 13.670 ( 9.198 0.000 -18.068) 20.275 14.121 ( -16.398 0.000 20.343) 26.129 15.079 ( -10.514 0.000 -0.088) 10.514 15.142 ( -7.401 0.000 12.969) 14.932 15.275 ( -19.120 0.000 -10.027) 21.590 15.500 ( 12.400 0.000 7.931) 14.720 15.577 ( 13.601 0.000 5.769) 14.774 15.660 ( 7.378 0.000 -5.493) 9.199 15.754 ( 12.039 0.000 -12.582) 17.414 15.869 ( 4.926 0.000 -2.902) 5.717 15.949 ( 4.302 0.000 -3.338) 5.445 17.028 ( 0.323 0.000 12.779) 12.783 17.287 ( 0.384 0.000 -2.152) 2.186 17.482 ( 2.489 0.000 9.344) 9.670 17.699 ( -7.097 0.000 1.666) 7.289 17.890 ( 0.965 0.000 -10.264) 10.309 18.017 ( -0.632 0.000 -4.408) 4.453 18.427 ( -8.175 0.000 6.397) 10.380 18.581 ( -7.023 0.000 -4.221) 8.194 ======================= Grid point 65 (23/80) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 2.917 0.000 14.193) 14.490 1.146 ( 4.576 0.000 21.853) 22.327 1.240 ( 2.016 0.000 -16.018) 16.145 1.462 ( 0.887 0.000 3.112) 3.236 1.655 ( -10.024 0.000 7.428) 12.476 1.755 ( -3.607 0.000 0.648) 3.665 1.958 ( -0.215 0.000 3.229) 3.236 1.973 ( 9.468 0.000 -14.915) 17.667 1.993 ( 1.392 0.000 -1.995) 2.433 2.216 ( 4.206 0.000 3.913) 5.745 2.312 ( -7.329 0.000 -0.031) 7.329 2.358 ( -5.015 0.000 8.331) 9.725 2.486 ( 1.462 0.000 -6.844) 6.998 2.527 ( 8.689 0.000 4.837) 9.945 2.674 ( 8.766 0.000 0.897) 8.812 2.733 ( 1.378 0.000 0.069) 1.380 2.881 ( 0.978 0.000 -0.158) 0.991 2.917 ( -4.923 0.000 -7.887) 9.298 3.073 ( 1.097 0.000 3.915) 4.066 3.234 ( -5.007 0.000 1.827) 5.330 3.325 ( 2.500 0.000 0.992) 2.690 3.355 ( 6.039 0.000 1.337) 6.186 3.387 ( 1.754 0.000 -6.858) 7.078 3.400 ( -1.284 0.000 -5.145) 5.302 3.520 ( -3.843 0.000 -2.191) 4.424 3.553 ( -2.389 0.000 0.870) 2.542 3.715 ( -0.423 0.000 -8.773) 8.783 3.891 ( 0.636 0.000 -7.453) 7.480 3.925 ( 0.039 0.000 0.360) 0.363 4.040 ( 0.713 0.000 1.677) 1.823 4.087 ( -2.415 0.000 -4.768) 5.344 4.160 ( -1.792 0.000 5.090) 5.396 4.169 ( 2.217 0.000 3.077) 3.792 4.227 ( 0.440 0.000 0.906) 1.007 4.362 ( -2.262 0.000 5.641) 6.078 4.362 ( -5.093 0.000 -3.895) 6.412 4.507 ( -2.904 0.000 0.889) 3.037 4.730 ( 1.833 0.000 -1.118) 2.147 4.821 ( -6.839 0.000 -0.247) 6.844 4.838 ( 0.748 0.000 3.869) 3.941 4.910 ( 2.520 0.000 1.453) 2.909 5.033 ( -5.443 0.000 -1.799) 5.733 5.160 ( 7.497 0.000 -1.028) 7.567 5.233 ( -10.116 0.000 3.204) 10.611 5.311 ( -0.549 0.000 -1.993) 2.067 5.372 ( -9.563 0.000 2.414) 9.863 5.375 ( -8.908 0.000 -2.161) 9.166 5.568 ( 4.363 0.000 3.157) 5.385 5.817 ( -2.193 0.000 -4.459) 4.969 5.889 ( 1.424 0.000 -0.015) 1.424 5.943 ( -4.272 0.000 4.743) 6.383 5.996 ( 8.397 0.000 10.133) 13.160 6.171 ( -0.123 0.000 -6.260) 6.261 6.331 ( 0.235 0.000 1.588) 1.605 6.359 ( 6.203 0.000 -2.904) 6.849 6.574 ( 4.141 0.000 -1.442) 4.385 6.694 ( -0.762 0.000 -3.197) 3.286 6.864 ( 1.165 0.000 1.341) 1.776 7.004 ( -1.612 0.000 -0.616) 1.726 7.028 ( 0.930 0.000 -3.416) 3.540 7.100 ( -1.347 0.000 0.940) 1.643 7.120 ( 2.642 0.000 -0.871) 2.782 7.215 ( 3.199 0.000 6.849) 7.559 7.367 ( -2.178 0.000 0.485) 2.231 7.377 ( 2.297 0.000 3.330) 4.045 7.382 ( 8.582 0.000 -2.636) 8.978 7.452 ( 1.768 0.000 -4.130) 4.492 7.616 ( 1.353 0.000 0.685) 1.517 7.745 ( -5.138 0.000 -2.672) 5.791 7.764 ( -3.933 0.000 0.375) 3.951 7.904 ( 3.503 0.000 -2.231) 4.153 7.949 ( 2.987 0.000 -3.312) 4.460 7.963 ( 1.222 0.000 1.572) 1.992 8.001 ( -0.071 0.000 0.237) 0.247 8.138 ( -4.540 0.000 1.548) 4.796 8.335 ( -2.249 0.000 1.020) 2.469 8.360 ( 0.025 0.000 -2.513) 2.513 8.384 ( -1.802 0.000 3.356) 3.809 8.562 ( -3.622 0.000 0.591) 3.670 8.645 ( -3.479 0.000 1.997) 4.012 9.980 ( 0.438 0.000 0.629) 0.767 10.000 ( 1.130 0.000 -0.986) 1.500 11.860 ( -1.099 0.000 1.625) 1.961 12.204 ( 4.646 0.000 -0.203) 4.651 12.506 ( -3.008 0.000 8.676) 9.183 12.582 ( -7.986 0.000 10.420) 13.128 13.183 ( 2.255 0.000 -19.912) 20.039 13.387 ( 14.306 0.000 -10.355) 17.660 13.581 ( 6.243 0.000 -11.959) 13.490 13.795 ( 14.658 0.000 1.661) 14.752 14.015 ( -16.082 0.000 22.897) 27.980 14.534 ( -18.612 0.000 -21.289) 28.278 15.146 ( -6.367 0.000 13.323) 14.766 15.159 ( -6.843 0.000 11.728) 13.578 15.707 ( 4.766 0.000 -3.079) 5.674 15.759 ( 8.805 0.000 -6.240) 10.792 15.788 ( 5.489 0.000 -1.448) 5.677 15.847 ( 8.493 0.000 -7.327) 11.217 15.996 ( 6.559 0.000 3.353) 7.366 16.064 ( 5.670 0.000 2.685) 6.273 17.155 ( 1.898 0.000 7.568) 7.803 17.305 ( 2.998 0.000 0.798) 3.103 17.470 ( -9.515 0.000 -7.980) 12.418 17.514 ( -7.221 0.000 4.939) 8.748 17.912 ( 5.798 0.000 -2.154) 6.185 18.020 ( 3.569 0.000 0.082) 3.570 18.310 ( -9.418 0.000 4.718) 10.533 18.402 ( -5.915 0.000 -3.521) 6.883 ======================= Grid point 66 (24/80) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -9.646 0.000 8.459) 12.830 1.202 ( -20.219 0.000 10.929) 22.984 1.390 ( 18.856 0.000 3.154) 19.118 1.507 ( 6.287 0.000 7.730) 9.964 1.679 ( -2.415 0.000 10.139) 10.423 1.727 ( 0.111 0.000 4.248) 4.249 1.917 ( 0.023 0.000 -11.068) 11.068 1.926 ( 0.406 0.000 -3.055) 3.082 2.130 ( 1.423 0.000 5.813) 5.985 2.153 ( -12.358 0.000 -9.887) 15.827 2.165 ( -3.484 0.000 1.841) 3.940 2.400 ( 10.930 0.000 -1.004) 10.976 2.460 ( 0.859 0.000 -3.216) 3.329 2.601 ( 0.974 0.000 -3.370) 3.508 2.698 ( -7.266 0.000 -7.191) 10.223 2.729 ( -4.614 0.000 4.708) 6.592 2.898 ( -0.568 0.000 -3.595) 3.639 2.901 ( 5.227 0.000 7.136) 8.845 3.122 ( 0.414 0.000 3.722) 3.745 3.173 ( -1.507 0.000 -0.296) 1.535 3.335 ( -2.370 0.000 -4.262) 4.877 3.351 ( -3.387 0.000 0.122) 3.389 3.368 ( -1.350 0.000 -8.634) 8.739 3.421 ( 6.902 0.000 -4.934) 8.484 3.449 ( 6.982 0.000 -0.433) 6.995 3.616 ( 4.815 0.000 0.105) 4.816 3.687 ( 3.396 0.000 0.007) 3.396 3.904 ( -1.307 0.000 0.032) 1.307 3.907 ( 5.072 0.000 -0.914) 5.154 4.030 ( 2.603 0.000 -1.697) 3.108 4.123 ( 2.814 0.000 -2.643) 3.861 4.154 ( -3.007 0.000 3.459) 4.584 4.193 ( -1.461 0.000 7.168) 7.316 4.220 ( -1.475 0.000 -0.436) 1.538 4.315 ( 1.825 0.000 0.433) 1.876 4.358 ( -5.369 0.000 5.551) 7.722 4.508 ( 1.741 0.000 1.131) 2.076 4.702 ( -0.351 0.000 -4.797) 4.810 4.788 ( -4.343 0.000 -0.133) 4.345 4.837 ( 0.169 0.000 -5.978) 5.980 4.844 ( -3.370 0.000 0.482) 3.404 5.036 ( 3.559 0.000 9.081) 9.754 5.169 ( -2.583 0.000 -7.983) 8.391 5.182 ( -0.397 0.000 2.633) 2.663 5.235 ( 2.136 0.000 -0.411) 2.175 5.281 ( -3.163 0.000 2.157) 3.829 5.368 ( 1.303 0.000 -2.110) 2.480 5.507 ( -4.494 0.000 -4.374) 6.271 5.855 ( -4.136 0.000 -5.449) 6.841 5.864 ( -3.919 0.000 0.461) 3.946 5.874 ( 2.995 0.000 2.815) 4.110 5.998 ( -3.990 0.000 -1.185) 4.162 6.305 ( 6.227 0.000 6.395) 8.926 6.325 ( -1.606 0.000 1.755) 2.379 6.411 ( 2.212 0.000 -1.951) 2.949 6.622 ( 2.497 0.000 -2.039) 3.223 6.700 ( 2.768 0.000 0.324) 2.787 6.907 ( -0.598 0.000 4.890) 4.926 6.962 ( 0.517 0.000 -5.300) 5.325 7.006 ( -0.131 0.000 -1.941) 1.946 7.081 ( -4.721 0.000 -2.759) 5.468 7.131 ( 2.648 0.000 2.645) 3.743 7.214 ( -4.985 0.000 -0.590) 5.020 7.344 ( 1.551 0.000 4.729) 4.977 7.441 ( 1.598 0.000 -4.281) 4.569 7.475 ( -3.537 0.000 2.790) 4.505 7.517 ( 6.051 0.000 0.194) 6.054 7.630 ( -0.175 0.000 -1.962) 1.970 7.695 ( -2.960 0.000 1.667) 3.398 7.700 ( 4.221 0.000 0.584) 4.262 7.938 ( 0.562 0.000 -2.470) 2.533 7.968 ( 3.794 0.000 0.874) 3.894 7.988 ( -1.201 0.000 -0.829) 1.459 8.038 ( 2.632 0.000 3.216) 4.156 8.077 ( -2.196 0.000 -0.869) 2.361 8.287 ( -2.354 0.000 -1.756) 2.937 8.365 ( -3.030 0.000 2.371) 3.848 8.371 ( 2.913 0.000 -0.261) 2.925 8.522 ( -0.808 0.000 -0.212) 0.835 8.594 ( -2.438 0.000 -0.361) 2.465 9.984 ( -0.494 0.000 0.283) 0.569 10.012 ( 0.797 0.000 -0.519) 0.951 11.902 ( 1.340 0.000 6.123) 6.268 12.270 ( 0.895 0.000 0.858) 1.240 12.525 ( -5.769 0.000 8.662) 10.407 12.554 ( -4.786 0.000 11.428) 12.390 13.136 ( 12.656 0.000 -15.138) 19.731 13.404 ( -1.653 0.000 -17.119) 17.199 13.553 ( 6.376 0.000 -15.551) 16.808 13.734 ( -6.721 0.000 -19.463) 20.590 13.976 ( -11.798 0.000 22.082) 25.036 14.502 ( 20.482 0.000 5.318) 21.161 15.145 ( -6.412 0.000 11.553) 13.213 15.170 ( -5.567 0.000 13.643) 14.735 15.689 ( -1.054 0.000 -7.566) 7.639 15.792 ( -0.438 0.000 -5.553) 5.570 15.875 ( 8.478 0.000 -2.719) 8.903 15.941 ( 5.890 0.000 -0.804) 5.945 16.028 ( -4.445 0.000 -2.099) 4.916 16.092 ( -3.767 0.000 -1.683) 4.126 17.167 ( -9.044 0.000 1.967) 9.255 17.305 ( -0.613 0.000 -3.186) 3.245 17.412 ( -3.314 0.000 1.872) 3.806 17.426 ( 6.900 0.000 2.334) 7.284 18.006 ( 3.588 0.000 0.945) 3.711 18.072 ( -0.681 0.000 -0.676) 0.959 18.211 ( -3.279 0.000 4.037) 5.200 18.349 ( 3.124 0.000 -0.110) 3.126 ======================= Grid point 67 (25/80) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -19.817 0.000 9.087) 21.801 0.887 ( -23.614 0.000 13.524) 27.212 1.295 ( -29.233 0.000 -8.805) 30.530 1.752 ( -1.150 0.000 11.189) 11.248 1.804 ( 5.163 0.000 4.258) 6.692 1.842 ( 10.916 0.000 7.042) 12.991 1.891 ( 6.883 0.000 -12.583) 14.342 1.910 ( -3.436 0.000 1.583) 3.783 1.913 ( -1.462 0.000 2.220) 2.659 2.015 ( -2.698 0.000 -5.052) 5.728 2.212 ( -4.791 0.000 5.968) 7.653 2.420 ( -1.780 0.000 -2.581) 3.135 2.566 ( -1.614 0.000 -4.824) 5.087 2.591 ( 7.289 0.000 -2.329) 7.652 2.632 ( -5.091 0.000 1.782) 5.394 2.678 ( 7.328 0.000 4.680) 8.695 2.916 ( -4.297 0.000 2.676) 5.063 2.945 ( 7.380 0.000 -0.921) 7.437 3.116 ( -3.177 0.000 -0.013) 3.177 3.206 ( 5.843 0.000 -2.741) 6.454 3.262 ( 1.655 0.000 -1.394) 2.164 3.292 ( -2.130 0.000 1.676) 2.710 3.335 ( 4.400 0.000 -7.023) 8.287 3.486 ( 4.161 0.000 -7.347) 8.444 3.568 ( 4.225 0.000 0.455) 4.250 3.651 ( 4.783 0.000 -8.496) 9.750 3.737 ( -1.272 0.000 0.282) 1.303 3.954 ( 3.991 0.000 2.839) 4.898 3.969 ( -0.076 0.000 -0.244) 0.255 4.051 ( 2.253 0.000 -5.788) 6.211 4.113 ( -5.333 0.000 4.179) 6.775 4.151 ( -3.902 0.000 -5.043) 6.376 4.159 ( 1.877 0.000 4.161) 4.565 4.293 ( -3.800 0.000 3.207) 4.972 4.311 ( 4.052 0.000 5.139) 6.544 4.421 ( 6.746 0.000 4.631) 8.182 4.563 ( 3.273 0.000 -1.266) 3.510 4.600 ( -1.352 0.000 -2.067) 2.470 4.754 ( -3.968 0.000 -0.150) 3.970 4.765 ( 1.827 0.000 0.425) 1.876 4.874 ( 0.619 0.000 2.515) 2.590 5.031 ( -3.852 0.000 -8.640) 9.459 5.120 ( -0.598 0.000 -4.940) 4.976 5.221 ( -0.743 0.000 6.935) 6.975 5.268 ( -4.304 0.000 -6.063) 7.436 5.283 ( 1.459 0.000 3.919) 4.182 5.337 ( 7.713 0.000 2.138) 8.003 5.466 ( 2.498 0.000 -6.500) 6.963 5.696 ( -6.830 0.000 1.649) 7.026 5.793 ( -0.801 0.000 3.631) 3.718 5.941 ( -3.315 0.000 0.314) 3.330 5.974 ( 3.277 0.000 0.847) 3.385 6.248 ( -5.074 0.000 0.404) 5.090 6.404 ( -1.658 0.000 -1.300) 2.107 6.429 ( -0.812 0.000 4.129) 4.208 6.616 ( -0.309 0.000 -5.232) 5.241 6.797 ( 6.244 0.000 -0.068) 6.244 6.841 ( -4.491 0.000 -6.589) 7.974 6.956 ( -3.029 0.000 5.319) 6.121 6.995 ( -0.644 0.000 1.197) 1.359 7.015 ( 3.114 0.000 -0.429) 3.143 7.101 ( -5.837 0.000 -1.490) 6.024 7.220 ( 1.996 0.000 4.101) 4.561 7.327 ( -5.670 0.000 0.001) 5.670 7.425 ( 1.217 0.000 -5.030) 5.175 7.480 ( 1.942 0.000 4.604) 4.996 7.528 ( -4.574 0.000 1.038) 4.690 7.636 ( 5.099 0.000 -4.664) 6.910 7.702 ( 0.397 0.000 2.176) 2.212 7.823 ( 5.813 0.000 0.920) 5.886 7.937 ( -2.445 0.000 -1.093) 2.678 7.938 ( 2.016 0.000 -3.355) 3.913 8.008 ( -3.017 0.000 -1.235) 3.260 8.062 ( 3.126 0.000 3.031) 4.354 8.138 ( 3.075 0.000 4.258) 5.252 8.216 ( -0.890 0.000 -5.197) 5.272 8.333 ( -1.656 0.000 1.192) 2.040 8.453 ( 3.554 0.000 2.630) 4.421 8.526 ( 0.155 0.000 2.704) 2.708 8.557 ( 0.175 0.000 -2.267) 2.273 9.968 ( -1.242 0.000 -0.041) 1.243 10.017 ( 0.129 0.000 -0.207) 0.244 12.030 ( 3.950 0.000 9.235) 10.045 12.244 ( -1.793 0.000 -3.384) 3.830 12.498 ( -5.170 0.000 7.639) 9.224 12.580 ( -5.178 0.000 12.150) 13.208 12.943 ( -19.265 0.000 -18.983) 27.046 13.377 ( 20.100 0.000 -1.509) 20.156 13.534 ( 6.856 0.000 -14.816) 16.326 13.625 ( 10.865 0.000 -20.018) 22.777 13.978 ( -8.500 0.000 15.288) 17.492 14.930 ( 15.453 0.000 2.650) 15.678 15.141 ( -5.479 0.000 10.567) 11.903 15.230 ( 0.361 0.000 10.980) 10.986 15.486 ( -10.379 0.000 -8.544) 13.444 15.648 ( -9.636 0.000 -5.535) 11.112 15.912 ( -2.461 0.000 -4.435) 5.072 15.974 ( -1.693 0.000 -4.856) 5.142 16.041 ( 8.898 0.000 2.723) 9.306 16.073 ( 4.914 0.000 8.237) 9.592 16.891 ( -17.997 0.000 -1.448) 18.055 17.330 ( 1.834 0.000 1.180) 2.181 17.376 ( -3.089 0.000 -0.985) 3.242 17.555 ( 5.116 0.000 -0.170) 5.118 18.028 ( -0.380 0.000 -1.685) 1.727 18.075 ( 1.742 0.000 3.051) 3.513 18.220 ( -1.026 0.000 1.049) 1.467 18.484 ( 9.181 0.000 0.185) 9.183 ======================= Grid point 68 (26/80) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( -27.478 0.000 -4.282) 27.809 0.570 ( -20.448 0.000 18.681) 27.697 0.761 ( -25.069 0.000 27.786) 37.423 1.740 ( -2.998 0.000 -0.097) 3.000 1.754 ( -2.226 0.000 -6.929) 7.278 1.848 ( -3.917 0.000 -0.761) 3.990 1.849 ( -6.194 0.000 7.550) 9.766 1.962 ( 0.486 0.000 5.264) 5.286 1.967 ( 8.523 0.000 -9.675) 12.894 2.093 ( -6.053 0.000 4.610) 7.608 2.205 ( 6.859 0.000 1.655) 7.056 2.380 ( -2.122 0.000 2.201) 3.057 2.472 ( -8.009 0.000 -0.107) 8.010 2.567 ( -0.106 0.000 0.120) 0.160 2.666 ( 0.826 0.000 -3.761) 3.851 2.755 ( 2.128 0.000 1.128) 2.409 2.987 ( -1.489 0.000 -4.234) 4.489 3.068 ( 11.219 0.000 -0.566) 11.233 3.107 ( 2.589 0.000 -3.092) 4.033 3.229 ( 3.688 0.000 -3.850) 5.331 3.283 ( -0.977 0.000 -11.022) 11.065 3.317 ( 1.419 0.000 0.145) 1.426 3.420 ( 7.956 0.000 -2.652) 8.387 3.432 ( 0.585 0.000 -2.989) 3.046 3.626 ( 2.306 0.000 1.295) 2.644 3.630 ( 0.421 0.000 -4.171) 4.192 3.735 ( -2.347 0.000 5.393) 5.881 3.872 ( -7.959 0.000 -3.690) 8.773 3.977 ( 1.927 0.000 -9.802) 9.990 4.034 ( -0.602 0.000 4.104) 4.147 4.038 ( 3.581 0.000 -7.437) 8.255 4.191 ( 5.290 0.000 14.188) 15.142 4.216 ( 1.699 0.000 1.018) 1.981 4.301 ( 2.876 0.000 8.907) 9.360 4.411 ( 1.602 0.000 1.408) 2.133 4.461 ( -2.668 0.000 -1.499) 3.060 4.653 ( 3.251 0.000 7.873) 8.518 4.676 ( 2.434 0.000 5.767) 6.259 4.748 ( 3.256 0.000 -1.462) 3.569 4.806 ( -1.502 0.000 2.749) 3.133 4.860 ( 2.155 0.000 -4.261) 4.775 4.918 ( 0.206 0.000 -0.008) 0.206 5.095 ( -0.924 0.000 8.445) 8.496 5.114 ( -7.054 0.000 -5.990) 9.254 5.193 ( -3.789 0.000 -3.914) 5.448 5.346 ( 1.009 0.000 4.166) 4.287 5.489 ( 3.641 0.000 2.144) 4.226 5.504 ( 8.476 0.000 -0.413) 8.486 5.720 ( 2.939 0.000 11.615) 11.981 5.866 ( -4.948 0.000 1.480) 5.165 5.931 ( 8.034 0.000 5.225) 9.584 6.013 ( 1.222 0.000 -1.115) 1.654 6.168 ( -2.591 0.000 1.742) 3.122 6.306 ( -7.334 0.000 -2.440) 7.729 6.406 ( -3.920 0.000 3.010) 4.943 6.484 ( -4.074 0.000 -7.750) 8.755 6.725 ( -2.333 0.000 -4.321) 4.910 6.899 ( 5.926 0.000 -2.831) 6.568 6.919 ( -3.174 0.000 0.741) 3.259 7.014 ( -2.619 0.000 3.487) 4.361 7.038 ( 0.754 0.000 3.833) 3.907 7.108 ( 4.533 0.000 1.603) 4.808 7.223 ( -4.805 0.000 0.288) 4.814 7.248 ( -1.065 0.000 -2.360) 2.589 7.351 ( -3.857 0.000 -2.342) 4.513 7.491 ( -1.155 0.000 -6.703) 6.802 7.556 ( 1.396 0.000 2.759) 3.092 7.579 ( -6.072 0.000 -8.492) 10.439 7.752 ( 3.054 0.000 0.458) 3.088 7.864 ( -2.120 0.000 -5.561) 5.952 7.871 ( -1.136 0.000 -1.719) 2.061 7.930 ( 3.796 0.000 -1.184) 3.976 8.011 ( 2.149 0.000 -0.447) 2.195 8.082 ( -2.548 0.000 -0.821) 2.677 8.214 ( 3.998 0.000 -0.474) 4.026 8.223 ( 1.106 0.000 3.804) 3.962 8.336 ( 0.010 0.000 1.462) 1.462 8.501 ( -0.634 0.000 0.294) 0.699 8.585 ( 3.681 0.000 0.374) 3.700 8.641 ( 7.021 0.000 13.036) 14.806 9.944 ( -0.978 0.000 0.022) 0.978 10.013 ( -0.230 0.000 -0.422) 0.481 12.165 ( -0.801 0.000 -5.983) 6.036 12.222 ( 5.433 0.000 7.986) 9.659 12.426 ( -15.973 0.000 -13.804) 21.111 12.482 ( -4.334 0.000 7.332) 8.517 12.603 ( -5.110 0.000 12.189) 13.217 13.509 ( 6.367 0.000 -16.312) 17.511 13.664 ( 12.012 0.000 -16.714) 20.583 13.777 ( 14.012 0.000 5.675) 15.118 13.927 ( -5.663 0.000 6.283) 8.459 15.087 ( -2.246 0.000 9.177) 9.448 15.149 ( -4.305 0.000 9.753) 10.660 15.252 ( -6.064 0.000 -1.391) 6.221 15.380 ( -11.643 0.000 -1.989) 11.811 15.419 ( 14.379 0.000 -5.526) 15.404 15.859 ( 1.341 0.000 -5.212) 5.382 15.933 ( 1.756 0.000 -5.038) 5.335 16.189 ( 0.862 0.000 -6.823) 6.877 16.248 ( -0.473 0.000 -7.566) 7.581 16.581 ( -10.890 0.000 25.323) 27.565 17.296 ( -2.595 0.000 -0.223) 2.605 17.346 ( -0.343 0.000 -1.009) 1.065 17.639 ( 3.233 0.000 1.793) 3.697 18.004 ( 0.913 0.000 -5.043) 5.125 18.103 ( -0.491 0.000 -1.118) 1.220 18.191 ( -1.875 0.000 4.827) 5.178 18.646 ( 6.975 0.000 -0.777) 7.018 ======================= Grid point 69 (27/80) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 5.027 13.795 10.399) 17.992 0.673 ( 14.286 11.658 22.704) 29.249 1.162 ( -10.884 24.134 28.689) 39.038 1.596 ( 3.932 -4.408 -13.072) 14.345 1.782 ( -3.431 6.133 -5.833) 9.133 1.836 ( -1.854 3.318 2.841) 4.746 1.871 ( 4.222 3.788 -0.706) 5.716 2.045 ( -6.056 5.873 7.460) 11.262 2.092 ( -3.291 5.625 0.532) 6.538 2.148 ( 2.154 8.202 -8.688) 12.140 2.224 ( -3.529 -0.459 1.765) 3.973 2.382 ( 6.121 0.412 -0.762) 6.182 2.504 ( -5.166 8.512 4.387) 10.881 2.584 ( 0.294 1.938 -1.403) 2.411 2.675 ( 2.415 3.165 -4.527) 6.029 2.793 ( 0.810 -0.906 3.661) 3.857 2.899 ( 1.020 -1.856 -5.141) 5.560 2.976 ( -0.260 -7.669 -2.396) 8.039 3.154 ( 5.075 -0.317 -4.181) 6.583 3.207 ( -2.591 -2.368 -4.737) 5.895 3.301 ( -1.261 1.998 2.794) 3.659 3.319 ( -2.883 -1.617 -3.967) 5.164 3.403 ( -1.198 2.009 -0.473) 2.387 3.602 ( 0.671 5.091 -7.675) 9.234 3.616 ( 2.269 2.852 -2.517) 4.429 3.690 ( 1.120 -2.847 -2.275) 3.813 3.771 ( 1.997 3.954 4.432) 6.266 3.782 ( -2.253 3.779 4.779) 6.496 3.946 ( 4.541 0.169 -8.571) 9.701 4.035 ( 1.102 -2.342 2.010) 3.277 4.090 ( 1.516 2.646 -4.208) 5.197 4.152 ( -2.808 -2.948 2.802) 4.943 4.287 ( -4.712 -2.765 -3.395) 6.432 4.305 ( 2.069 2.479 -2.972) 4.388 4.456 ( 1.968 -5.177 5.416) 7.747 4.491 ( -0.976 -1.333 1.303) 2.104 4.671 ( 0.241 -3.601 3.925) 5.332 4.711 ( 1.548 -1.815 -0.412) 2.421 4.726 ( -0.515 1.477 -0.428) 1.622 4.839 ( -3.778 1.046 -4.219) 5.759 4.946 ( -1.510 -1.503 -1.582) 2.654 4.954 ( -2.613 -2.272 2.037) 4.017 5.079 ( 7.843 -4.464 7.961) 12.034 5.114 ( 3.093 -2.964 3.559) 5.569 5.207 ( 7.117 -6.036 9.609) 13.395 5.414 ( -4.863 -4.581 -3.762) 7.667 5.542 ( -0.658 4.440 5.750) 7.294 5.659 ( 3.078 -2.987 8.142) 9.202 5.741 ( -2.742 2.470 5.791) 6.867 5.848 ( 2.489 -2.603 5.117) 6.258 5.948 ( -3.612 -4.676 -0.711) 5.951 6.037 ( -1.350 -1.345 -1.047) 2.175 6.133 ( -0.259 3.270 -0.513) 3.320 6.306 ( 0.011 -2.095 -2.633) 3.365 6.389 ( -0.679 2.982 -1.551) 3.429 6.523 ( 7.025 1.642 -5.732) 9.214 6.671 ( -1.456 0.128 0.779) 1.656 6.790 ( -1.055 3.516 -0.392) 3.692 6.899 ( 0.132 -7.054 -1.754) 7.270 6.983 ( -4.474 -2.013 -4.380) 6.577 7.073 ( 0.177 0.166 5.234) 5.239 7.125 ( 0.471 0.669 -1.708) 1.894 7.172 ( 1.928 -1.188 -0.455) 2.310 7.190 ( -1.388 5.345 -2.365) 6.007 7.280 ( -2.195 2.719 -3.135) 4.694 7.370 ( 3.696 0.423 -2.263) 4.355 7.575 ( -0.637 4.061 1.161) 4.272 7.603 ( -1.987 2.370 0.872) 3.213 7.746 ( 1.503 -3.304 3.768) 5.232 7.822 ( 2.206 -2.103 -1.389) 3.349 7.879 ( 0.132 1.752 -3.033) 3.505 7.929 ( 0.365 -0.965 -2.123) 2.360 8.029 ( -2.387 1.267 -2.013) 3.370 8.050 ( 1.008 1.861 -4.113) 4.625 8.193 ( -1.333 -4.424 4.756) 6.631 8.297 ( 0.898 0.588 1.913) 2.194 8.362 ( 0.080 2.162 1.960) 2.919 8.487 ( -1.052 1.406 -1.601) 2.377 8.641 ( -0.997 -1.671 4.316) 4.734 8.670 ( -1.420 -4.630 3.745) 6.122 10.066 ( -0.331 12.194 0.637) 12.216 10.262 ( 0.568 16.185 -8.087) 18.102 12.047 ( -4.492 -1.269 -4.895) 6.764 12.100 ( 0.731 -1.707 -5.250) 5.568 12.425 ( 7.955 -4.650 12.514) 15.540 12.609 ( -3.365 10.608 6.078) 12.680 12.856 ( -2.095 16.103 15.166) 22.220 13.485 ( -0.313 -6.197 -15.294) 16.505 13.541 ( 2.245 3.774 -14.560) 15.208 13.874 ( 4.499 4.942 -3.416) 7.505 14.039 ( -0.487 -3.350 6.927) 7.710 15.069 ( 9.238 -17.215 -6.711) 20.658 15.176 ( -1.879 0.868 8.680) 8.924 15.245 ( -0.796 6.804 8.774) 11.131 15.430 ( 0.476 9.688 3.990) 10.489 15.539 ( 2.385 1.872 3.600) 4.707 15.666 ( -10.361 -1.669 -3.364) 11.021 15.752 ( -8.765 -2.134 -5.892) 10.775 16.067 ( -6.763 6.932 -11.782) 15.252 16.131 ( -1.522 8.386 -9.675) 12.893 16.967 ( 0.413 9.164 14.454) 17.120 17.295 ( -0.249 -1.914 -2.178) 2.910 17.339 ( 3.973 0.735 3.807) 5.552 17.657 ( 0.182 -4.780 3.458) 5.902 17.895 ( 8.803 -12.994 0.483) 15.703 17.967 ( -3.207 -5.793 -6.934) 9.588 18.247 ( 4.943 -5.121 8.755) 11.283 18.586 ( -0.969 -10.408 -2.583) 10.767 ======================= Grid point 70 (28/80) ======================= q-point: ( 0.17 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 11.415 10.632 9.825) 18.435 1.109 ( 3.654 15.948 21.597) 27.094 1.355 ( 3.798 10.177 16.167) 19.477 1.482 ( -1.295 -1.284 -18.545) 18.635 1.697 ( 3.583 -1.375 -3.829) 5.421 1.802 ( -3.441 0.815 -2.093) 4.110 1.906 ( -2.574 1.059 -1.872) 3.354 1.991 ( -2.170 2.945 -1.466) 3.941 2.067 ( 3.900 7.803 2.025) 8.956 2.186 ( 2.852 0.639 11.025) 11.406 2.256 ( 0.912 9.642 4.526) 10.691 2.396 ( -3.336 -1.799 -2.347) 4.458 2.474 ( 0.573 6.238 -1.165) 6.371 2.586 ( 4.807 4.782 -2.236) 7.139 2.623 ( -1.572 1.237 -6.091) 6.411 2.810 ( -6.030 -0.658 1.565) 6.265 2.893 ( 0.194 0.006 -1.827) 1.837 2.966 ( 1.583 -5.941 -0.057) 6.149 3.050 ( -4.548 1.393 -1.263) 4.921 3.211 ( 3.398 -1.234 -5.249) 6.373 3.261 ( -1.198 -1.300 4.777) 5.094 3.321 ( 1.158 0.305 0.757) 1.417 3.364 ( 0.352 1.989 -1.434) 2.477 3.565 ( 1.282 3.031 -4.320) 5.431 3.595 ( 0.026 5.641 -4.796) 7.404 3.693 ( -4.714 1.264 -0.746) 4.938 3.784 ( 2.966 0.041 -5.634) 6.367 3.847 ( 1.065 -0.433 2.574) 2.819 3.944 ( 1.591 1.962 -1.408) 2.892 4.063 ( 1.180 -4.389 -1.544) 4.800 4.095 ( 0.810 1.932 -3.305) 3.913 4.133 ( -1.295 -0.019 5.005) 5.170 4.175 ( -0.536 -0.991 -2.441) 2.688 4.259 ( -3.439 1.410 -4.998) 6.229 4.404 ( -4.966 -0.196 -0.788) 5.032 4.480 ( -5.125 0.436 4.648) 6.932 4.643 ( -2.423 4.092 -2.956) 5.600 4.719 ( -1.695 -1.099 -1.923) 2.789 4.749 ( 0.155 -3.121 6.147) 6.895 4.803 ( 3.343 -2.342 2.538) 4.806 4.935 ( -0.993 -1.912 -0.132) 2.159 4.984 ( 3.799 -0.658 2.483) 4.585 5.139 ( -3.688 0.149 -1.116) 3.856 5.261 ( -3.548 -11.795 4.771) 13.209 5.316 ( -1.268 -8.692 -1.789) 8.964 5.326 ( 5.249 -2.776 5.100) 7.827 5.472 ( -7.452 1.602 -0.232) 7.626 5.690 ( -10.789 -0.606 1.570) 10.920 5.750 ( -0.171 0.017 8.605) 8.607 5.838 ( -1.470 -1.191 1.902) 2.682 5.941 ( 0.123 2.358 5.082) 5.603 5.997 ( -2.571 1.105 2.054) 3.471 6.186 ( 3.963 2.121 -1.057) 4.618 6.308 ( 7.276 3.128 -4.933) 9.330 6.368 ( -0.376 4.071 -3.684) 5.504 6.554 ( 1.855 2.112 -3.281) 4.320 6.709 ( 2.492 -2.530 -0.725) 3.625 6.825 ( -2.878 -1.820 -4.365) 5.536 6.854 ( 5.830 -4.654 0.690) 7.491 6.920 ( 0.980 -4.274 1.927) 4.790 7.116 ( 0.333 0.837 2.350) 2.516 7.128 ( -1.990 -0.455 1.670) 2.638 7.196 ( 2.308 0.968 0.468) 2.546 7.234 ( 4.239 0.847 -0.452) 4.347 7.276 ( 4.714 2.201 -2.536) 5.787 7.428 ( 4.302 -2.057 -4.179) 6.340 7.524 ( -5.483 1.566 -1.056) 5.799 7.600 ( 0.874 3.622 2.166) 4.309 7.777 ( -1.602 -2.397 2.109) 3.572 7.858 ( 3.665 -2.060 -2.728) 5.011 7.867 ( -0.796 1.108 -2.241) 2.624 7.917 ( 0.998 0.912 -1.627) 2.115 7.958 ( -1.402 1.407 -0.620) 2.081 8.029 ( 0.221 0.639 -3.216) 3.286 8.185 ( -4.054 -1.981 4.100) 6.097 8.320 ( -0.133 -1.540 2.081) 2.592 8.390 ( 0.046 2.375 2.278) 3.292 8.438 ( -1.744 2.437 -2.364) 3.817 8.607 ( -4.770 -2.672 3.133) 6.301 8.679 ( -1.288 0.222 2.338) 2.679 10.062 ( -0.789 11.262 0.987) 11.333 10.202 ( 0.419 16.267 -3.708) 16.689 11.916 ( -4.179 -0.097 -2.813) 5.038 12.123 ( 4.810 -1.029 -3.088) 5.808 12.580 ( -2.866 8.402 7.996) 11.948 12.642 ( -3.248 2.153 10.348) 11.057 13.090 ( 9.512 5.085 8.710) 13.863 13.262 ( 0.690 -7.607 -14.325) 16.234 13.533 ( 5.221 -0.270 -5.306) 7.449 13.892 ( 7.208 15.643 -14.434) 22.472 14.031 ( -7.765 -3.566 9.946) 13.112 15.014 ( -9.628 -14.946 -17.442) 24.906 15.225 ( -5.101 6.097 12.863) 15.121 15.318 ( -6.813 11.637 12.474) 18.369 15.458 ( -0.247 -3.247 -0.324) 3.273 15.484 ( 0.250 -3.043 -2.388) 3.876 15.668 ( 10.877 -0.559 0.770) 10.918 15.746 ( 13.395 2.016 4.668) 14.328 15.949 ( 1.371 4.317 -5.445) 7.083 16.064 ( 0.912 5.356 -4.893) 7.312 17.089 ( 1.484 5.468 8.238) 9.998 17.271 ( -0.073 -1.481 -1.369) 2.018 17.485 ( 2.174 0.302 8.062) 8.355 17.634 ( -7.071 -6.118 0.706) 9.377 17.825 ( 0.694 -6.207 -9.946) 11.744 17.965 ( 2.559 -4.350 -2.899) 5.820 18.367 ( -2.439 -4.616 5.187) 7.359 18.469 ( -6.650 -10.021 -4.092) 12.704 ======================= Grid point 71 (29/80) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 7.800 8.399 5.704) 12.803 1.256 ( 1.752 3.247 -12.563) 13.094 1.350 ( 2.055 11.003 14.217) 18.095 1.456 ( -0.178 1.685 2.513) 3.031 1.700 ( -3.481 2.583 0.834) 4.414 1.803 ( 7.680 -4.966 -7.456) 11.800 1.843 ( -7.713 6.899 3.895) 11.057 1.937 ( 0.563 -1.609 5.085) 5.363 2.137 ( -6.218 0.667 -2.343) 6.678 2.190 ( 2.733 1.233 -3.474) 4.589 2.343 ( -0.485 4.492 3.515) 5.724 2.471 ( 2.099 0.758 1.919) 2.943 2.487 ( -1.040 4.582 -0.983) 4.800 2.521 ( 3.768 1.593 -0.345) 4.106 2.703 ( -1.230 0.307 2.433) 2.743 2.739 ( 8.914 3.795 1.878) 9.869 2.881 ( -1.341 0.026 -2.181) 2.560 2.951 ( -2.834 2.110 -2.199) 4.162 3.034 ( -1.026 -3.213 5.747) 6.664 3.146 ( -5.468 -5.427 3.265) 8.367 3.330 ( 5.523 2.553 -2.548) 6.597 3.371 ( 1.598 3.112 -2.604) 4.361 3.416 ( 2.322 0.139 4.770) 5.307 3.492 ( -4.053 3.057 -9.037) 10.365 3.535 ( -2.525 0.931 -0.332) 2.712 3.582 ( -0.837 5.141 -2.557) 5.803 3.729 ( 1.837 2.766 -8.881) 9.482 3.877 ( 2.450 -0.747 -2.410) 3.517 3.952 ( -0.227 2.175 -1.803) 2.834 4.053 ( 0.436 -0.631 2.714) 2.820 4.094 ( -0.207 -0.226 -4.606) 4.616 4.108 ( -2.929 -0.861 -2.248) 3.792 4.194 ( 0.524 0.105 4.980) 5.008 4.224 ( 0.974 0.471 3.658) 3.815 4.312 ( -3.495 -0.607 -2.500) 4.340 4.426 ( -3.977 2.756 6.501) 8.104 4.568 ( -1.297 4.774 -2.648) 5.611 4.718 ( 1.390 -1.153 -0.687) 1.932 4.795 ( -3.493 -2.493 1.028) 4.413 4.829 ( -1.352 -0.718 4.046) 4.326 4.917 ( 3.211 0.513 1.650) 3.646 5.022 ( -5.405 -2.027 -6.466) 8.668 5.125 ( 5.441 -2.516 1.445) 6.166 5.178 ( -5.464 -5.082 4.897) 8.925 5.259 ( -1.215 -2.334 -2.112) 3.375 5.349 ( -2.969 -1.351 -0.965) 3.401 5.412 ( -9.370 0.614 -2.336) 9.676 5.532 ( 1.721 -2.651 4.518) 5.514 5.809 ( -2.366 -0.322 -1.383) 2.759 5.868 ( 0.045 -2.666 -1.018) 2.854 5.914 ( 2.718 -0.884 4.134) 5.027 6.087 ( 2.545 6.550 6.337) 9.462 6.208 ( 0.329 2.740 -3.669) 4.591 6.308 ( -1.825 0.517 -0.648) 2.004 6.436 ( 6.971 3.988 -2.622) 8.449 6.555 ( 0.633 -1.670 -1.036) 2.065 6.686 ( -1.311 -0.011 -2.214) 2.573 6.806 ( 2.441 -4.536 0.630) 5.189 6.890 ( 0.051 -5.483 0.002) 5.483 7.007 ( 2.130 -4.777 1.398) 5.414 7.091 ( -3.043 -0.752 1.606) 3.522 7.142 ( 1.408 0.286 -3.082) 3.401 7.251 ( 3.500 1.365 2.396) 4.456 7.326 ( 1.563 -2.622 1.046) 3.227 7.391 ( 7.349 -0.177 -0.634) 7.378 7.405 ( -1.752 2.587 -1.299) 3.384 7.455 ( 1.597 -0.633 -1.767) 2.464 7.631 ( 0.284 2.018 1.462) 2.508 7.739 ( -2.721 0.185 -0.902) 2.873 7.774 ( -5.287 0.381 -0.469) 5.322 7.897 ( 2.898 -2.251 -2.686) 4.548 7.941 ( 2.207 1.937 -1.794) 3.441 7.972 ( 1.497 0.849 0.903) 1.943 8.006 ( -0.474 -0.360 0.067) 0.600 8.144 ( -2.773 0.747 1.822) 3.401 8.323 ( -1.580 -1.496 1.215) 2.492 8.386 ( -1.103 2.916 -1.488) 3.455 8.405 ( -0.708 2.211 2.026) 3.081 8.554 ( -2.717 -0.588 0.684) 2.863 8.658 ( -2.663 1.123 1.311) 3.173 10.060 ( -0.495 10.093 1.243) 10.181 10.194 ( 1.380 15.512 -2.141) 15.720 11.850 ( -1.720 -0.995 0.997) 2.223 12.202 ( 4.437 -0.525 0.351) 4.482 12.596 ( -3.365 8.543 8.359) 12.416 12.639 ( -6.704 4.804 10.094) 13.035 13.004 ( 1.868 -10.484 -18.823) 21.626 13.433 ( 7.529 0.654 -2.679) 8.018 13.733 ( 12.292 -1.240 11.497) 16.876 13.871 ( 7.387 18.208 -17.795) 26.510 13.992 ( -4.744 2.074 8.042) 9.565 14.490 ( -18.066 -4.797 -19.573) 27.065 15.239 ( -6.266 7.794 12.088) 15.688 15.287 ( -7.240 10.847 11.425) 17.338 15.488 ( 4.016 -11.123 -1.901) 11.978 15.554 ( 5.890 -11.973 -3.728) 13.854 15.899 ( 4.860 4.272 -3.197) 7.217 15.964 ( 6.236 1.640 4.055) 7.617 16.021 ( 4.604 3.038 1.005) 5.607 16.075 ( 4.459 0.555 2.278) 5.037 17.193 ( 2.643 2.383 4.020) 5.369 17.285 ( 1.930 -1.625 1.535) 2.953 17.386 ( -8.879 -7.082 -7.550) 13.638 17.520 ( -5.950 0.015 2.337) 6.392 17.850 ( 6.580 -6.143 -2.381) 9.311 18.023 ( 4.763 0.534 0.457) 4.814 18.269 ( -6.419 -9.587 -1.962) 11.703 18.327 ( -6.826 -0.970 1.031) 6.971 ======================= Grid point 72 (30/80) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -11.603 3.754 -0.948) 12.232 1.400 ( 9.950 5.590 7.332) 13.565 1.445 ( -2.525 9.789 4.422) 11.035 1.516 ( 5.846 2.113 3.770) 7.270 1.701 ( 0.812 1.850 3.507) 4.047 1.775 ( -4.362 -5.244 -4.555) 8.202 1.794 ( -0.533 6.150 8.165) 10.236 2.011 ( -2.863 -1.297 0.331) 3.161 2.103 ( 5.073 -1.363 4.369) 6.832 2.183 ( -2.060 4.858 -8.035) 9.613 2.269 ( -4.219 7.565 -2.452) 9.002 2.369 ( 3.684 -2.243 -4.162) 5.994 2.543 ( 1.169 6.442 -1.263) 6.668 2.648 ( 2.218 -4.466 0.370) 5.000 2.676 ( -2.328 5.267 1.127) 5.867 2.723 ( -7.294 -1.804 -0.050) 7.514 2.810 ( -4.148 0.693 -3.320) 5.358 2.981 ( 3.641 0.147 4.455) 5.755 3.017 ( -3.582 -5.348 0.653) 6.470 3.146 ( -0.829 -1.910 4.456) 4.918 3.317 ( -1.007 -0.044 -5.624) 5.714 3.374 ( -1.049 3.818 -3.219) 5.103 3.422 ( 2.324 -1.285 -2.649) 3.751 3.474 ( 5.481 2.852 -0.670) 6.215 3.510 ( -0.644 6.230 -4.307) 7.601 3.614 ( 6.676 1.747 5.547) 8.853 3.724 ( 3.322 3.663 -5.997) 7.773 3.886 ( 0.129 -0.113 -2.667) 2.673 3.963 ( 2.059 3.460 1.402) 4.263 4.045 ( 2.582 1.244 -2.142) 3.578 4.075 ( 2.478 -2.462 -3.648) 5.050 4.128 ( -0.843 -2.556 5.494) 6.118 4.207 ( -3.294 0.223 2.019) 3.870 4.229 ( -0.191 1.542 0.869) 1.780 4.309 ( 2.005 2.061 4.303) 5.175 4.398 ( -4.729 1.585 4.389) 6.644 4.573 ( 0.180 4.514 -0.866) 4.600 4.690 ( 0.856 -1.341 -3.623) 3.957 4.784 ( -1.692 -0.466 2.777) 3.285 4.822 ( -2.965 -1.353 -1.571) 3.618 4.840 ( -1.600 -0.043 -6.696) 6.884 5.056 ( 4.979 1.494 8.877) 10.287 5.135 ( -3.361 -3.856 0.750) 5.170 5.166 ( -3.560 -0.106 -5.559) 6.602 5.213 ( 2.920 -1.957 -1.353) 3.766 5.271 ( -0.612 -1.469 1.756) 2.370 5.371 ( 2.166 0.331 -0.372) 2.222 5.514 ( -3.876 -0.208 -1.370) 4.116 5.777 ( -2.589 -3.719 -1.971) 4.941 5.857 ( -0.659 -0.629 -0.194) 0.932 5.930 ( -1.382 2.367 -2.054) 3.425 6.048 ( -4.042 4.163 -1.427) 5.975 6.282 ( 0.904 -2.330 3.401) 4.221 6.325 ( 3.881 1.839 4.257) 6.047 6.482 ( 1.521 4.215 -3.533) 5.707 6.562 ( 1.187 -4.073 -0.366) 4.258 6.684 ( 2.411 -1.126 0.042) 2.662 6.860 ( 0.757 -5.083 -0.812) 5.203 6.880 ( -0.841 -2.630 0.814) 2.878 7.013 ( -4.723 -5.285 0.954) 7.151 7.058 ( 1.252 -3.197 0.298) 3.446 7.128 ( 1.887 2.919 -2.467) 4.263 7.249 ( -4.761 1.888 -1.336) 5.293 7.356 ( 1.398 -0.137 3.222) 3.515 7.431 ( 0.360 -1.487 -1.246) 1.973 7.445 ( 2.121 -1.184 0.340) 2.453 7.524 ( 3.374 0.045 -0.377) 3.395 7.627 ( -1.346 0.014 -1.601) 2.092 7.697 ( -3.595 0.566 2.123) 4.213 7.720 ( 3.774 1.876 0.176) 4.219 7.919 ( 1.272 -1.538 -1.861) 2.729 7.939 ( 0.391 -2.880 -1.194) 3.142 8.013 ( 0.598 2.546 1.364) 2.950 8.028 ( 1.783 -0.282 3.139) 3.621 8.113 ( -1.527 2.411 -1.038) 3.037 8.283 ( -2.281 -0.288 -1.303) 2.643 8.388 ( 0.517 3.050 1.690) 3.525 8.406 ( 0.001 2.405 0.686) 2.501 8.523 ( -0.750 0.075 -0.071) 0.757 8.615 ( -1.790 1.951 -0.645) 2.725 10.064 ( -0.660 9.794 1.403) 9.916 10.202 ( 1.416 15.410 -1.833) 15.583 11.870 ( 0.785 -2.778 4.538) 5.379 12.261 ( 0.225 -1.641 0.265) 1.677 12.609 ( -5.891 7.104 9.174) 13.013 12.629 ( -3.402 7.398 10.608) 13.373 12.954 ( 11.016 -10.816 -12.977) 20.168 13.424 ( -7.358 -1.019 -8.579) 11.348 13.753 ( -3.532 3.137 -15.481) 16.185 13.831 ( 6.073 19.612 -15.945) 25.996 13.965 ( -6.177 2.908 8.864) 11.188 14.443 ( 19.518 -5.597 4.577) 20.814 15.224 ( -6.770 7.067 9.936) 13.946 15.278 ( -6.417 9.068 12.477) 16.706 15.540 ( 2.618 -10.288 -1.409) 10.709 15.617 ( 3.464 -10.978 -2.870) 11.864 15.891 ( -0.635 -1.330 -3.177) 3.502 15.994 ( -1.065 0.995 -1.484) 2.080 16.069 ( -1.740 2.828 -0.881) 3.435 16.115 ( -2.871 1.645 0.372) 3.330 17.201 ( -3.150 -2.246 -1.261) 4.069 17.251 ( -1.339 -0.370 -2.844) 3.165 17.381 ( 2.470 -2.810 3.056) 4.831 17.435 ( 0.455 0.649 0.793) 1.121 17.962 ( 3.705 -4.250 1.450) 5.822 18.074 ( -1.715 0.269 -1.121) 2.067 18.204 ( 0.945 -6.744 1.233) 6.921 18.244 ( 0.425 -3.699 0.185) 3.728 ======================= Grid point 73 (31/80) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -16.685 3.603 -0.943) 17.096 1.166 ( -21.789 12.276 0.658) 25.018 1.423 ( -22.226 12.709 3.116) 25.793 1.695 ( 6.697 0.198 1.441) 6.853 1.752 ( 2.896 -4.499 -6.964) 8.783 1.831 ( 1.592 -1.146 9.530) 9.730 1.909 ( 9.975 1.180 0.737) 10.071 1.991 ( 1.412 6.806 5.982) 9.170 2.037 ( 0.161 5.060 -2.116) 5.487 2.106 ( -2.355 6.432 -3.582) 7.730 2.231 ( -4.759 4.767 5.006) 8.392 2.492 ( -2.807 4.558 -4.469) 6.973 2.502 ( 3.468 -2.765 -1.932) 4.838 2.625 ( -2.970 1.102 4.423) 5.441 2.635 ( 2.768 0.826 2.826) 4.041 2.737 ( 2.733 -0.385 -1.856) 3.326 2.783 ( 6.815 -1.734 -2.639) 7.511 2.951 ( -1.051 -2.879 0.755) 3.156 3.102 ( 2.632 -3.657 3.641) 5.793 3.119 ( -3.183 -1.780 1.055) 3.796 3.247 ( -1.639 2.665 -0.977) 3.277 3.384 ( 4.572 1.030 0.051) 4.687 3.429 ( 0.334 4.754 -3.269) 5.779 3.505 ( 5.207 0.925 -1.614) 5.529 3.556 ( 4.298 2.969 -7.070) 8.790 3.698 ( 3.303 1.691 -5.014) 6.238 3.764 ( -1.604 3.353 -3.279) 4.957 3.861 ( 2.147 -4.640 3.033) 5.944 3.999 ( 1.140 1.006 -1.100) 1.877 4.054 ( -0.894 0.162 -5.497) 5.572 4.122 ( -0.240 -1.286 4.401) 4.592 4.128 ( -0.732 1.637 4.296) 4.655 4.191 ( -3.483 0.982 -0.599) 3.668 4.239 ( 1.306 -0.231 0.937) 1.624 4.402 ( 2.509 1.950 1.942) 3.724 4.418 ( 3.461 1.388 3.385) 5.036 4.525 ( 1.519 -0.591 0.249) 1.649 4.690 ( -1.262 2.481 -2.845) 3.980 4.738 ( -1.265 -0.203 -2.695) 2.985 4.756 ( -0.102 0.457 1.766) 1.827 4.867 ( 1.896 -0.707 2.838) 3.486 4.987 ( -3.380 -4.601 -7.459) 9.393 5.099 ( -2.431 0.604 -2.021) 3.218 5.225 ( -0.074 0.246 5.472) 5.478 5.275 ( 1.249 -0.527 3.912) 4.141 5.325 ( 4.041 1.515 -0.435) 4.337 5.365 ( 1.734 3.445 -1.813) 4.262 5.471 ( 1.931 0.141 -4.599) 4.990 5.661 ( -5.892 -3.061 0.381) 6.650 5.783 ( -1.400 -0.227 0.609) 1.544 5.912 ( -2.205 -0.614 -0.257) 2.303 6.027 ( 0.534 2.568 1.586) 3.065 6.262 ( -3.868 1.309 1.949) 4.525 6.423 ( 1.944 1.488 0.439) 2.487 6.455 ( -1.978 1.936 -0.099) 2.769 6.584 ( 0.638 -2.696 -2.972) 4.063 6.760 ( 2.249 -3.021 -2.959) 4.789 6.804 ( 2.616 -2.898 -3.165) 5.026 6.867 ( -2.334 -6.041 1.110) 6.571 6.947 ( -4.720 -2.075 5.850) 7.798 7.077 ( 0.835 -0.327 -2.135) 2.316 7.142 ( -3.699 3.450 -1.924) 5.411 7.177 ( 0.170 -2.491 3.040) 3.933 7.311 ( -3.281 -1.138 0.997) 3.613 7.446 ( 1.862 1.225 -4.319) 4.860 7.498 ( -1.167 0.124 1.068) 1.587 7.535 ( -0.354 0.297 3.742) 3.770 7.608 ( 3.324 -1.585 -3.372) 4.993 7.673 ( -1.795 -0.477 1.744) 2.548 7.829 ( 5.393 0.049 0.081) 5.394 7.880 ( -1.278 -2.109 -4.042) 4.735 7.962 ( 1.921 -1.046 0.427) 2.229 8.045 ( -3.042 3.499 -0.691) 4.688 8.073 ( 2.559 -1.400 1.335) 3.208 8.099 ( 0.664 -0.507 5.057) 5.126 8.231 ( 0.138 0.953 -4.080) 4.192 8.372 ( -1.802 3.563 0.724) 4.058 8.468 ( 2.673 1.248 2.292) 3.736 8.526 ( 0.257 0.279 2.010) 2.045 8.590 ( 0.678 2.563 -1.659) 3.127 10.062 ( -0.803 10.594 1.260) 10.699 10.215 ( 2.138 16.036 -1.773) 16.274 11.966 ( 3.093 -4.847 7.177) 9.196 12.211 ( -2.145 -3.731 -4.693) 6.367 12.580 ( -6.290 6.237 7.014) 11.299 12.685 ( -2.783 9.711 11.896) 15.607 12.974 ( -18.034 3.889 -15.466) 24.074 13.168 ( 16.508 -10.781 -1.262) 19.757 13.697 ( 5.189 4.958 -9.923) 12.247 13.822 ( 9.401 17.764 -13.325) 24.114 13.936 ( -5.009 -0.062 4.537) 6.759 14.837 ( 16.749 -9.962 -2.030) 19.594 15.189 ( -5.350 3.994 6.606) 9.392 15.265 ( -6.955 3.808 8.121) 11.350 15.492 ( -5.799 0.036 -2.422) 6.284 15.607 ( -3.037 -3.143 0.230) 4.377 15.871 ( -2.749 -0.962 1.894) 3.474 15.905 ( -1.950 -3.308 1.285) 4.049 16.070 ( 1.326 -0.661 1.502) 2.109 16.106 ( 4.027 0.570 3.766) 5.543 17.003 ( -12.001 9.663 -4.269) 15.988 17.279 ( 2.894 -4.753 1.023) 5.658 17.383 ( -2.159 0.426 -1.662) 2.757 17.523 ( 4.305 -2.990 0.194) 5.245 17.990 ( -2.794 -3.301 -2.891) 5.202 18.023 ( 0.597 -4.741 3.608) 5.988 18.212 ( -0.702 -0.409 -2.444) 2.575 18.376 ( 9.493 -10.033 0.939) 13.844 ======================= Grid point 74 (32/80) ======================= q-point: (-0.17 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( -11.531 8.594 4.845) 15.175 0.627 ( -22.017 13.293 -5.804) 26.366 1.180 ( -17.624 24.620 22.584) 37.773 1.663 ( 0.477 -3.786 -10.453) 11.128 1.787 ( 0.668 3.608 3.324) 4.951 1.837 ( -0.569 -0.062 0.530) 0.780 1.943 ( -6.787 7.288 -1.387) 10.055 2.043 ( 7.037 3.827 -4.658) 9.267 2.093 ( -0.125 6.847 5.584) 8.837 2.149 ( -0.931 6.053 3.559) 7.083 2.240 ( 3.218 3.875 1.693) 5.314 2.381 ( -5.383 0.137 -2.865) 6.100 2.519 ( 0.699 4.712 2.265) 5.275 2.596 ( -3.706 2.311 4.986) 6.629 2.672 ( 1.625 1.303 -5.490) 5.872 2.762 ( 0.038 0.898 0.398) 0.983 2.920 ( 7.649 -7.330 -7.667) 13.077 3.021 ( 1.907 -4.957 0.402) 5.327 3.055 ( 0.015 -0.122 2.155) 2.158 3.207 ( 2.604 -0.795 6.161) 6.736 3.248 ( 3.512 -3.580 -3.470) 6.098 3.390 ( -0.914 1.491 -0.161) 1.756 3.468 ( 1.679 7.111 -15.067) 16.745 3.576 ( 8.725 5.645 -0.216) 10.394 3.625 ( 4.974 -1.326 -0.357) 5.160 3.662 ( -1.213 4.218 -3.972) 5.920 3.722 ( -0.890 -1.121 4.581) 4.800 3.868 ( -5.867 1.233 -1.439) 6.165 3.951 ( 1.527 -1.179 -8.293) 8.515 4.009 ( 0.695 -1.263 -0.411) 1.499 4.087 ( 1.263 1.263 -1.158) 2.129 4.162 ( -2.431 -4.673 5.063) 7.307 4.221 ( 4.714 2.532 8.104) 9.711 4.282 ( 2.698 2.208 -0.983) 3.622 4.417 ( -2.415 -2.775 -3.822) 5.305 4.456 ( -0.209 1.456 3.979) 4.242 4.630 ( 1.401 -4.239 3.562) 5.711 4.673 ( 3.797 0.194 -1.946) 4.271 4.747 ( 2.709 -1.582 -1.919) 3.677 4.801 ( 1.689 0.816 8.309) 8.518 4.869 ( -0.182 1.167 -1.149) 1.648 4.937 ( 0.802 0.447 -0.503) 1.047 5.048 ( -2.260 -1.992 5.389) 6.174 5.161 ( -7.045 3.178 -5.195) 9.312 5.195 ( -5.605 1.904 -4.204) 7.261 5.425 ( 4.581 4.731 5.762) 8.750 5.457 ( 4.241 -3.103 1.744) 5.536 5.494 ( 4.560 -0.879 -2.289) 5.177 5.682 ( 2.619 -2.431 9.145) 9.818 5.806 ( -3.292 -0.994 2.081) 4.019 5.904 ( 4.815 -2.810 0.993) 5.663 6.047 ( 0.255 0.606 0.287) 0.717 6.195 ( -4.527 3.052 1.113) 5.572 6.392 ( -4.659 0.002 -1.242) 4.822 6.449 ( 1.385 5.868 -1.630) 6.246 6.468 ( -3.803 -0.720 -4.447) 5.896 6.737 ( -0.944 0.267 -4.041) 4.158 6.805 ( -0.872 -4.250 1.035) 4.460 6.904 ( -0.051 -5.271 1.265) 5.421 6.972 ( 4.287 -1.674 1.561) 4.860 7.024 ( -2.027 0.740 1.735) 2.769 7.128 ( 1.014 -0.197 -0.122) 1.041 7.152 ( -2.187 -3.796 0.489) 4.409 7.315 ( -0.061 0.697 1.777) 1.909 7.378 ( -4.344 4.108 -5.615) 8.203 7.437 ( -2.344 -3.525 -5.701) 7.101 7.597 ( -2.616 2.102 -0.318) 3.371 7.604 ( 0.442 3.200 1.452) 3.542 7.673 ( 1.268 -4.202 3.049) 5.344 7.812 ( 0.416 -1.677 -3.274) 3.702 7.915 ( 2.488 -1.567 -1.129) 3.150 7.949 ( -2.784 3.464 -3.481) 5.645 8.014 ( 3.140 -0.394 -0.976) 3.312 8.110 ( -2.266 2.312 -0.416) 3.264 8.151 ( 1.400 -4.308 3.633) 5.807 8.239 ( 2.908 1.292 0.370) 3.203 8.357 ( -0.599 2.273 0.805) 2.485 8.504 ( -0.530 0.256 1.351) 1.473 8.584 ( 2.161 0.232 3.454) 4.081 8.620 ( 1.740 -0.464 3.134) 3.615 10.062 ( -0.243 11.928 0.823) 11.959 10.258 ( 5.137 16.659 -3.921) 17.869 12.118 ( 3.635 -6.643 7.912) 10.952 12.125 ( -0.383 -3.732 -6.050) 7.119 12.398 ( -12.920 -0.827 -6.412) 14.448 12.640 ( -5.454 12.597 2.265) 13.912 12.778 ( -3.271 14.224 13.577) 19.934 13.454 ( 12.098 -4.935 -3.976) 13.658 13.679 ( 5.032 5.392 -13.865) 15.705 13.852 ( -6.417 -6.188 4.086) 9.807 13.923 ( 10.299 10.139 -5.965) 15.635 15.001 ( 5.306 -13.610 -4.693) 15.343 15.174 ( -1.949 -4.587 -1.275) 5.144 15.186 ( -1.319 3.362 4.633) 5.874 15.409 ( -3.656 8.043 4.725) 10.019 15.530 ( -5.181 6.250 4.640) 9.350 15.825 ( -2.842 -1.100 0.788) 3.148 15.893 ( -3.740 -1.858 -0.859) 4.263 16.198 ( 3.987 -2.365 2.135) 5.104 16.250 ( 2.703 -1.468 0.533) 3.122 16.799 ( -3.172 17.115 6.543) 18.595 17.309 ( -1.837 0.963 -1.680) 2.669 17.313 ( 0.200 -3.078 -0.609) 3.144 17.593 ( 2.800 -4.290 1.310) 5.288 17.860 ( -5.468 -9.165 -7.104) 12.820 18.045 ( -1.076 -5.503 -0.188) 5.611 18.165 ( -0.895 -0.839 0.699) 1.412 18.544 ( 6.547 -9.743 -0.294) 11.742 ======================= Grid point 75 (33/80) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 7.855 22.806 -3.404) 24.360 0.982 ( 15.168 19.170 10.154) 26.470 1.526 ( 2.589 -2.186 -14.991) 15.370 1.612 ( -8.911 18.487 16.793) 26.517 1.918 ( -1.760 5.162 -4.826) 7.282 1.942 ( 0.786 6.710 -3.300) 7.518 1.980 ( 1.150 7.267 2.003) 7.626 2.062 ( -2.869 -2.795 -0.319) 4.018 2.199 ( -4.200 4.709 4.159) 7.558 2.271 ( -3.531 4.895 -2.793) 6.651 2.354 ( 1.614 8.278 2.052) 8.680 2.411 ( 0.239 3.840 -2.338) 4.502 2.646 ( 0.884 -8.964 -4.724) 10.171 2.656 ( 2.757 5.904 1.537) 6.695 2.711 ( -6.093 8.695 1.753) 10.761 2.784 ( 0.479 -1.699 2.450) 3.020 2.801 ( 6.383 -2.473 0.866) 6.900 2.914 ( -3.119 1.312 -2.292) 4.087 3.041 ( -1.285 -9.284 4.852) 10.554 3.142 ( -0.317 -1.785 -1.804) 2.557 3.249 ( -3.048 -1.370 0.190) 3.348 3.410 ( 1.501 2.369 1.789) 3.326 3.476 ( -2.825 3.997 -3.567) 6.056 3.613 ( 0.780 -2.371 -2.860) 3.796 3.661 ( 1.807 1.598 0.145) 2.416 3.712 ( -0.442 4.014 -2.458) 4.727 3.848 ( 1.061 4.605 5.670) 7.381 3.906 ( 1.763 4.311 -5.501) 7.208 3.966 ( 0.969 3.154 -4.969) 5.965 3.997 ( -0.528 -0.501 5.653) 5.700 4.088 ( 0.125 -1.108 2.819) 3.032 4.148 ( 3.550 1.958 -5.695) 6.991 4.225 ( -3.866 -3.313 -4.388) 6.721 4.311 ( -0.960 -0.353 0.404) 1.100 4.423 ( 2.853 1.303 2.935) 4.295 4.474 ( 0.037 -0.904 4.204) 4.300 4.580 ( 1.529 -4.957 3.939) 6.513 4.637 ( 1.168 -2.034 -0.347) 2.371 4.770 ( -0.952 0.866 -3.011) 3.274 4.826 ( -5.851 -2.832 0.932) 6.567 4.901 ( 2.113 1.951 -0.637) 2.946 4.948 ( 0.402 -1.865 4.859) 5.221 5.030 ( 4.568 -0.775 1.005) 4.741 5.081 ( -1.109 1.956 -8.326) 8.624 5.204 ( 1.900 0.627 -2.001) 2.830 5.318 ( -5.235 -5.326 -3.136) 8.100 5.521 ( -0.206 -4.553 8.019) 9.224 5.638 ( 3.127 -0.362 3.778) 4.917 5.769 ( -5.093 -3.066 -1.961) 6.260 5.813 ( 5.108 -0.912 1.977) 5.553 5.904 ( 0.605 2.387 8.368) 8.723 6.018 ( -2.032 -0.639 0.197) 2.139 6.220 ( -1.295 2.729 -0.915) 3.156 6.277 ( 2.529 1.102 0.877) 2.895 6.420 ( -0.551 1.106 -0.837) 1.492 6.580 ( 2.594 3.080 -4.646) 6.148 6.636 ( 0.105 -4.705 -0.857) 4.784 6.754 ( -3.237 -3.718 2.049) 5.339 6.854 ( 0.875 0.785 2.018) 2.336 6.921 ( -1.599 -2.807 -3.078) 4.462 7.035 ( 1.278 -3.887 2.168) 4.631 7.130 ( -0.340 0.440 0.322) 0.643 7.152 ( 4.475 -0.215 -0.611) 4.522 7.244 ( -1.839 -0.791 -0.296) 2.023 7.299 ( -0.832 0.284 -4.835) 4.915 7.397 ( -1.359 1.973 -3.309) 4.085 7.635 ( -1.156 0.849 -0.334) 1.473 7.682 ( 0.352 5.319 1.001) 5.424 7.703 ( 1.213 -1.332 2.865) 3.385 7.779 ( 0.813 -1.551 -1.230) 2.139 7.878 ( 0.393 -1.211 0.185) 1.287 7.933 ( 0.960 0.253 -2.000) 2.233 8.012 ( 0.579 -2.395 -2.094) 3.233 8.105 ( -2.168 1.962 -0.122) 2.927 8.129 ( -1.224 0.059 1.701) 2.096 8.310 ( -0.269 0.582 0.933) 1.132 8.425 ( 0.411 3.600 1.543) 3.939 8.517 ( -0.390 1.380 0.676) 1.586 8.600 ( -2.357 -0.666 1.360) 2.802 8.652 ( 1.810 0.359 1.151) 2.175 10.404 ( -0.823 20.157 0.931) 20.195 10.610 ( 1.259 18.269 -5.472) 19.113 11.992 ( -0.620 -4.531 -0.276) 4.582 12.042 ( -1.330 -4.365 -2.325) 5.122 12.392 ( 7.737 2.053 7.221) 10.780 12.904 ( -4.641 16.957 3.748) 17.976 13.225 ( -3.593 18.952 16.487) 25.375 13.335 ( -6.213 -6.491 -15.818) 18.192 13.596 ( -10.519 -4.311 -2.272) 11.593 13.850 ( 13.127 4.504 -0.584) 13.891 14.186 ( 9.371 10.589 -6.680) 15.639 14.591 ( 7.208 -25.081 -10.028) 27.956 15.267 ( 4.891 6.089 3.408) 8.521 15.381 ( 5.576 6.165 3.762) 9.125 15.517 ( -3.875 -4.101 7.092) 9.063 15.575 ( -8.866 -1.834 9.706) 13.273 15.719 ( -5.389 7.996 -2.402) 9.937 15.796 ( -6.593 7.907 -0.844) 10.330 16.114 ( -5.869 -1.188 -3.723) 7.051 16.192 ( -3.314 -0.761 -2.009) 3.950 17.186 ( -0.696 8.819 1.561) 8.983 17.244 ( 0.307 -2.278 -0.140) 2.303 17.381 ( 4.909 4.081 3.545) 7.302 17.529 ( -0.831 -6.769 0.886) 6.877 17.682 ( 11.643 -7.625 -1.879) 14.043 17.810 ( -5.163 -8.918 -4.544) 11.262 18.187 ( 4.082 -2.646 1.664) 5.141 18.310 ( -1.780 -15.410 -1.411) 15.576 ======================= Grid point 76 (34/80) ======================= q-point: ( 0.17 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 12.791 19.597 -1.889) 23.479 1.384 ( 6.944 6.370 2.966) 9.879 1.441 ( 5.580 4.079 -6.438) 9.445 1.582 ( -4.932 8.880 1.836) 10.322 1.789 ( -6.086 7.025 -5.497) 10.798 1.827 ( -2.590 6.456 -3.941) 7.995 1.927 ( -3.090 0.788 0.790) 3.285 2.114 ( -5.700 2.890 2.750) 6.958 2.163 ( 6.089 4.495 3.539) 8.355 2.226 ( -6.037 3.062 2.609) 7.255 2.379 ( 0.124 1.765 -1.089) 2.078 2.427 ( 2.886 3.863 6.478) 8.076 2.582 ( -1.565 0.086 -9.282) 9.413 2.601 ( -3.136 2.157 1.193) 3.989 2.722 ( -5.056 0.948 5.006) 7.178 2.794 ( 0.790 -0.091 -0.260) 0.837 2.860 ( 1.415 -1.075 -2.689) 3.223 2.904 ( 1.192 3.747 2.469) 4.643 3.062 ( -4.717 -8.431 5.014) 10.884 3.118 ( 1.558 4.251 0.963) 4.629 3.230 ( 5.636 -2.904 0.389) 6.352 3.424 ( -2.951 5.517 3.904) 7.375 3.457 ( 1.604 7.851 -0.493) 8.028 3.613 ( 2.021 -3.187 -4.805) 6.109 3.643 ( -3.922 2.835 -0.265) 4.847 3.701 ( 0.148 1.404 -1.238) 1.878 3.882 ( 3.528 7.063 -6.145) 10.004 3.901 ( -0.433 4.746 -2.429) 5.348 3.963 ( 0.854 0.504 -0.572) 1.144 3.973 ( -1.569 -2.051 2.651) 3.701 4.122 ( -0.224 -1.279 -0.435) 1.370 4.136 ( 1.110 -1.574 -1.286) 2.316 4.177 ( 2.839 4.415 -2.161) 5.677 4.262 ( -4.694 -0.522 0.149) 4.725 4.431 ( -2.476 2.272 -4.776) 5.840 4.490 ( -3.256 0.148 6.198) 7.002 4.641 ( 0.978 -4.712 1.574) 5.063 4.684 ( 1.353 -2.557 3.269) 4.365 4.720 ( -0.795 1.661 -2.427) 3.047 4.764 ( -0.330 -1.019 4.399) 4.528 4.910 ( -1.112 -0.860 0.510) 1.496 4.992 ( 3.995 2.496 -3.973) 6.163 5.064 ( -0.810 -5.317 0.122) 5.379 5.117 ( 2.414 -3.293 -2.590) 4.835 5.177 ( -1.383 -5.113 -3.783) 6.509 5.253 ( 2.798 -4.228 2.012) 5.455 5.494 ( -6.247 -0.306 2.428) 6.710 5.638 ( -5.705 -3.452 2.652) 7.176 5.744 ( -0.048 -1.380 4.015) 4.246 5.829 ( -1.786 -0.178 -2.354) 2.960 5.960 ( -3.122 0.047 0.018) 3.122 6.047 ( 3.226 2.871 8.775) 9.780 6.228 ( 2.375 1.485 0.163) 2.806 6.359 ( 6.253 2.890 -1.224) 6.996 6.425 ( 0.381 1.120 -2.194) 2.492 6.555 ( 0.761 -0.501 -3.451) 3.569 6.679 ( 2.827 -2.323 0.735) 3.732 6.776 ( 1.648 -0.410 2.633) 3.134 6.808 ( -4.481 -1.002 -4.750) 6.606 6.865 ( -0.312 -1.729 2.553) 3.099 7.077 ( -1.064 -3.373 1.721) 3.934 7.129 ( 0.744 0.413 -0.346) 0.919 7.193 ( 2.771 -1.262 -4.144) 5.143 7.223 ( 0.261 -1.789 1.490) 2.343 7.301 ( 2.759 -0.760 -0.767) 2.963 7.379 ( 1.880 -2.020 -1.889) 3.344 7.560 ( -3.973 2.356 -2.463) 5.235 7.687 ( -0.942 3.166 1.052) 3.467 7.746 ( -0.333 -0.699 3.514) 3.599 7.800 ( 2.873 -2.196 -2.071) 4.167 7.883 ( -0.920 -0.010 -1.026) 1.378 7.966 ( 2.499 2.767 -0.159) 3.732 7.982 ( 0.463 0.061 -1.452) 1.525 8.035 ( -1.883 2.026 -3.592) 4.534 8.152 ( -1.887 -1.316 5.560) 6.017 8.294 ( -1.388 -0.879 0.942) 1.894 8.443 ( -0.033 2.381 0.323) 2.403 8.509 ( -0.253 4.248 -0.943) 4.358 8.570 ( -2.551 -1.002 2.175) 3.499 8.686 ( 0.514 0.579 0.921) 1.203 10.386 ( -1.867 19.730 1.190) 19.854 10.580 ( 1.222 20.035 -4.262) 20.520 11.902 ( -5.026 -1.781 -1.239) 5.475 12.082 ( 4.708 -3.209 -0.468) 5.717 12.637 ( 3.898 -0.496 8.445) 9.314 12.852 ( -5.475 14.025 5.193) 15.926 13.070 ( -1.072 -4.840 -16.883) 17.596 13.303 ( -3.130 6.479 9.964) 12.290 13.458 ( -3.633 -2.097 10.845) 11.628 14.056 ( 11.633 8.912 -7.302) 16.373 14.294 ( 10.500 18.650 -12.579) 24.826 14.604 ( 2.692 -20.816 -12.216) 24.286 15.347 ( -5.775 -1.841 1.867) 6.342 15.408 ( -6.327 2.059 -0.946) 6.721 15.446 ( -5.479 1.730 4.604) 7.363 15.553 ( 0.087 4.930 10.384) 11.495 15.725 ( 2.238 7.849 7.325) 10.967 15.817 ( 10.223 4.968 7.739) 13.751 15.978 ( -2.904 -0.680 -3.229) 4.395 16.104 ( -3.368 -0.651 -1.307) 3.671 17.181 ( -1.729 -0.344 0.760) 1.920 17.253 ( 1.205 2.002 0.715) 2.444 17.445 ( -7.595 -8.430 -2.399) 11.598 17.515 ( 2.195 -1.085 3.750) 4.478 17.654 ( -0.980 -9.740 -9.184) 13.423 17.891 ( 9.271 -1.663 0.152) 9.420 18.173 ( -6.962 -14.484 -2.348) 16.241 18.320 ( 3.400 -3.321 1.282) 4.922 ======================= Grid point 77 (35/80) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 7.069 3.821 -10.836) 13.490 1.345 ( 4.904 12.727 -4.247) 14.285 1.417 ( 1.011 2.380 -9.127) 9.486 1.613 ( 4.826 -0.134 -8.672) 9.925 1.707 ( -2.196 8.957 14.751) 17.397 1.840 ( 1.442 5.598 1.131) 5.890 1.901 ( -2.680 -1.664 5.444) 6.291 1.999 ( -7.654 -5.821 -2.648) 9.974 2.072 ( -8.582 10.314 2.536) 13.655 2.279 ( 3.047 1.801 1.692) 3.923 2.393 ( 0.916 2.558 -4.589) 5.333 2.471 ( -3.367 -1.782 -2.222) 4.410 2.527 ( -3.076 -4.112 3.253) 6.080 2.573 ( -1.073 4.974 0.247) 5.094 2.678 ( 3.863 -1.507 6.251) 7.501 2.842 ( 0.070 -4.923 -0.420) 4.941 2.913 ( 4.019 8.285 1.574) 9.342 2.965 ( 1.078 3.554 3.716) 5.254 3.026 ( -4.256 3.180 4.977) 7.280 3.108 ( -4.672 1.707 7.012) 8.597 3.347 ( 1.156 -2.802 -0.555) 3.082 3.420 ( 0.203 1.106 -4.505) 4.643 3.462 ( 1.623 4.415 -1.535) 4.948 3.538 ( -4.037 3.914 -1.752) 5.890 3.600 ( -0.657 5.186 -0.631) 5.265 3.663 ( 0.745 2.520 -2.597) 3.694 3.850 ( 2.379 5.105 -6.693) 8.747 3.906 ( 2.356 3.884 -2.088) 4.999 3.979 ( -0.156 0.228 0.093) 0.291 4.009 ( 3.427 1.011 1.566) 3.901 4.090 ( -1.044 0.433 -2.522) 2.763 4.128 ( -1.085 1.002 -5.352) 5.552 4.188 ( 0.910 -0.765 1.999) 2.326 4.273 ( 2.201 4.233 6.379) 7.966 4.334 ( -2.795 2.043 -4.065) 5.340 4.479 ( -3.489 2.086 7.294) 8.350 4.617 ( -0.884 -1.654 -6.083) 6.365 4.701 ( 0.243 -0.540 -0.090) 0.598 4.737 ( -0.072 -1.736 3.984) 4.347 4.804 ( -2.544 -2.058 3.790) 5.007 4.912 ( 1.805 -2.011 1.683) 3.184 4.973 ( -0.395 0.122 -6.907) 6.919 5.072 ( 3.007 -2.847 1.078) 4.279 5.119 ( 1.595 -0.889 0.132) 1.831 5.179 ( 1.761 -4.565 -2.758) 5.616 5.292 ( -2.712 -5.159 2.734) 6.438 5.413 ( -6.132 1.235 -0.125) 6.257 5.504 ( -4.970 -0.583 1.539) 5.236 5.792 ( 0.392 -2.394 -3.087) 3.926 5.815 ( 2.748 -1.690 1.657) 3.627 5.900 ( -0.527 -0.184 0.521) 0.764 6.165 ( 2.145 -1.987 1.405) 3.244 6.266 ( -1.372 5.079 3.812) 6.497 6.376 ( -2.845 4.469 -2.117) 5.705 6.477 ( 4.913 0.932 -1.510) 5.224 6.536 ( 1.312 0.473 -1.721) 2.215 6.702 ( -0.702 -0.244 -1.546) 1.715 6.718 ( 1.295 -2.877 -0.350) 3.175 6.834 ( 0.353 -0.028 2.782) 2.804 6.906 ( -0.226 -4.284 1.957) 4.716 7.019 ( -3.818 -4.250 -0.977) 5.796 7.144 ( 2.325 -0.918 -2.448) 3.499 7.221 ( 3.150 -3.173 0.035) 4.471 7.258 ( -0.064 -4.493 1.225) 4.658 7.365 ( 2.651 -2.916 -0.319) 3.954 7.408 ( 4.652 -2.775 -1.983) 5.768 7.489 ( -1.018 4.807 -0.809) 4.980 7.673 ( -1.237 1.042 0.405) 1.667 7.753 ( -2.402 -0.346 2.470) 3.462 7.793 ( -1.975 3.055 -2.095) 4.198 7.854 ( 1.517 -1.380 -1.630) 2.620 7.957 ( -2.936 -1.000 -1.742) 3.557 7.997 ( 0.848 0.679 1.673) 1.995 8.033 ( 2.006 3.854 1.207) 4.509 8.159 ( -0.122 0.451 0.129) 0.485 8.293 ( -0.901 -1.178 2.613) 3.004 8.439 ( 0.081 2.240 -0.416) 2.280 8.490 ( -0.781 5.286 -0.332) 5.354 8.548 ( -1.552 0.211 1.010) 1.864 8.687 ( -0.872 1.630 0.128) 1.853 10.367 ( -1.519 19.173 1.780) 19.316 10.574 ( 1.865 20.639 -3.240) 20.975 11.818 ( -2.811 -2.304 0.036) 3.635 12.169 ( 3.444 -3.054 0.856) 4.682 12.628 ( -2.481 -8.084 -4.334) 9.503 12.811 ( -5.145 9.176 8.247) 13.367 12.969 ( -0.609 9.535 -4.498) 10.560 13.345 ( -4.480 -5.411 13.792) 15.478 13.701 ( 14.178 -0.401 8.898) 16.744 14.152 ( 9.846 8.845 -15.795) 20.607 14.306 ( 1.091 13.220 -14.470) 19.630 14.394 ( -3.773 8.292 -12.733) 15.656 15.260 ( 1.451 -8.004 -2.252) 8.441 15.329 ( 1.531 -4.420 -3.478) 5.829 15.452 ( -6.055 5.746 12.097) 14.698 15.553 ( -9.430 10.376 12.829) 19.005 15.892 ( -2.450 -4.232 -1.012) 4.993 15.982 ( 3.574 0.473 7.531) 8.349 16.050 ( 3.157 -0.615 1.757) 3.665 16.103 ( 5.859 3.805 5.876) 9.129 17.095 ( -7.499 -12.287 -2.500) 14.610 17.231 ( -2.671 -5.843 -3.365) 7.252 17.325 ( 3.661 2.925 -0.496) 4.712 17.510 ( -3.462 -1.014 -0.796) 3.694 17.663 ( 7.443 -11.684 -3.435) 14.273 18.007 ( -6.261 -12.434 0.132) 13.922 18.057 ( 5.640 1.806 0.173) 5.925 18.329 ( -2.102 0.110 -1.807) 2.774 ======================= Grid point 78 (36/80) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -7.288 11.934 -11.102) 17.855 1.423 ( 16.259 -2.681 -2.820) 16.718 1.509 ( 11.310 1.670 -1.035) 11.480 1.659 ( 2.179 4.202 -1.101) 4.860 1.687 ( -9.256 -0.666 2.405) 9.587 1.859 ( -6.608 10.322 3.460) 12.735 1.922 ( 0.223 -2.596 -0.362) 2.631 1.948 ( 1.360 5.661 6.318) 8.591 2.067 ( 9.623 -2.824 4.293) 10.909 2.271 ( -5.885 2.667 -1.037) 6.544 2.349 ( -2.356 1.905 -0.404) 3.057 2.393 ( 1.698 -1.209 1.506) 2.571 2.552 ( -1.007 2.727 0.305) 2.923 2.599 ( 3.492 -3.367 -2.085) 5.280 2.721 ( -7.848 1.906 -0.575) 8.097 2.796 ( -2.807 2.665 2.319) 4.512 2.847 ( -1.970 0.302 -1.637) 2.579 2.953 ( -3.242 2.922 1.278) 4.547 3.030 ( -3.358 6.817 6.377) 9.920 3.159 ( -0.382 1.755 3.570) 3.996 3.293 ( -0.644 -2.889 -8.696) 9.186 3.339 ( 1.042 -4.545 -3.099) 5.598 3.473 ( -1.184 3.482 0.328) 3.692 3.531 ( 2.972 3.859 -1.968) 5.253 3.617 ( 0.345 5.170 2.459) 5.736 3.710 ( 4.119 4.592 3.094) 6.901 3.802 ( -0.030 3.298 -6.554) 7.337 3.919 ( 0.394 3.513 -2.775) 4.494 4.026 ( 1.834 1.934 4.890) 5.569 4.053 ( 1.226 1.250 -4.578) 4.901 4.084 ( 1.858 2.338 -2.514) 3.904 4.109 ( 4.378 2.668 0.682) 5.172 4.228 ( -2.371 0.421 -0.229) 2.419 4.255 ( 2.341 1.975 0.167) 3.068 4.380 ( 0.187 3.655 8.082) 8.872 4.432 ( -5.171 1.940 1.542) 5.734 4.612 ( 0.355 -0.890 -3.860) 3.977 4.650 ( 0.598 -2.146 -2.763) 3.549 4.761 ( -2.675 -3.501 -0.716) 4.464 4.770 ( -1.020 -1.004 3.916) 4.169 4.892 ( 0.616 4.094 -4.408) 6.047 5.037 ( -1.516 -4.649 0.178) 4.893 5.088 ( 2.928 0.905 3.462) 4.624 5.159 ( 1.467 -2.952 0.363) 3.316 5.187 ( -0.310 0.304 -0.023) 0.435 5.214 ( -2.449 -2.259 0.786) 3.424 5.371 ( 4.338 -0.453 1.969) 4.785 5.490 ( -1.903 -1.280 0.829) 2.439 5.728 ( -3.708 -1.344 -3.637) 5.365 5.847 ( 1.031 -0.242 -1.858) 2.138 5.943 ( 0.641 -1.520 1.193) 2.036 6.133 ( -4.458 2.013 -3.697) 6.131 6.239 ( -0.409 -0.601 2.904) 2.994 6.371 ( 1.831 1.769 1.686) 3.054 6.500 ( 0.990 0.574 -2.353) 2.616 6.558 ( 0.716 1.704 -0.004) 1.848 6.688 ( 1.618 1.654 -1.508) 2.762 6.780 ( 0.253 -2.394 3.486) 4.237 6.810 ( -1.552 -4.555 -7.157) 8.625 6.899 ( -2.811 -4.352 5.778) 7.761 6.973 ( 0.891 -4.284 0.485) 4.402 7.146 ( 0.035 -1.194 -1.513) 1.928 7.246 ( -0.565 -2.457 -1.646) 3.011 7.299 ( 1.264 -4.954 -0.636) 5.152 7.372 ( 0.773 -3.334 3.663) 5.013 7.482 ( 1.489 3.452 -1.958) 4.239 7.507 ( 3.241 -1.734 -0.669) 3.736 7.639 ( -1.759 1.382 -0.658) 2.332 7.713 ( -2.399 0.434 2.177) 3.268 7.776 ( 1.688 3.460 -1.148) 4.017 7.883 ( 2.277 -1.749 -0.185) 2.877 7.892 ( -1.613 -1.438 -1.973) 2.926 8.013 ( -0.958 -0.289 1.482) 1.788 8.074 ( -0.003 1.927 3.765) 4.230 8.153 ( 0.612 1.573 -2.597) 3.097 8.287 ( -2.016 0.568 1.021) 2.330 8.450 ( 1.001 2.380 0.864) 2.723 8.484 ( -0.043 4.979 0.201) 4.983 8.533 ( -0.635 1.468 0.803) 1.790 8.664 ( -0.700 2.615 -1.197) 2.960 10.364 ( -0.893 18.815 2.100) 18.952 10.581 ( 2.084 20.631 -3.015) 20.954 11.802 ( 0.102 -3.867 1.959) 4.336 12.186 ( -1.286 -5.886 -2.973) 6.718 12.614 ( 4.652 -7.480 0.515) 8.824 12.837 ( -2.369 11.106 9.256) 14.650 12.928 ( -0.799 7.142 0.719) 7.223 13.354 ( -7.342 -1.753 5.716) 9.468 13.775 ( -11.846 1.309 -1.868) 12.064 14.154 ( 10.923 1.081 -15.025) 18.607 14.241 ( 9.899 18.970 -13.779) 25.450 14.409 ( 9.625 15.171 -2.839) 18.190 15.326 ( 4.539 -5.529 1.160) 7.247 15.374 ( -0.437 -1.867 6.010) 6.308 15.439 ( -4.189 -0.575 7.069) 8.237 15.487 ( -7.747 8.279 7.627) 13.664 15.815 ( -3.551 -5.993 -1.653) 7.160 15.944 ( -3.914 -5.836 0.082) 7.027 16.118 ( -4.041 2.113 -0.694) 4.613 16.150 ( -3.334 1.911 1.791) 4.239 17.012 ( 3.433 -12.024 -0.222) 12.507 17.276 ( 4.334 -4.135 2.900) 6.656 17.357 ( -1.741 2.913 -3.166) 4.641 17.440 ( 0.050 -0.274 -0.586) 0.649 17.829 ( 8.574 -9.827 1.989) 13.193 17.919 ( -2.507 -14.250 3.816) 14.963 18.096 ( -2.608 1.922 -2.812) 4.290 18.262 ( 0.350 1.459 -4.591) 4.830 ======================= Grid point 79 (37/80) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -4.681 16.260 -13.527) 21.663 1.391 ( -16.611 11.140 -7.389) 21.322 1.619 ( 0.208 0.707 1.858) 1.999 1.663 ( 7.497 -1.147 -2.677) 8.043 1.817 ( 2.028 3.003 5.450) 6.545 1.841 ( -6.172 7.492 -3.244) 10.234 1.948 ( 16.265 3.533 6.812) 17.985 2.023 ( 2.164 -1.256 0.479) 2.548 2.108 ( -4.474 2.023 -1.705) 5.198 2.212 ( -0.188 2.225 -2.978) 3.722 2.382 ( 1.442 -1.359 6.116) 6.429 2.430 ( -4.542 4.702 4.399) 7.879 2.535 ( 0.352 2.893 -2.438) 3.799 2.576 ( 4.977 -2.772 7.140) 9.135 2.724 ( 3.873 3.224 -3.973) 6.417 2.794 ( -0.928 10.354 1.194) 10.464 2.864 ( -0.142 -4.695 4.351) 6.403 2.883 ( -0.475 4.765 -2.474) 5.390 2.991 ( -3.328 -2.562 3.304) 5.344 3.163 ( 2.421 0.183 -4.603) 5.204 3.262 ( -2.554 -3.759 3.997) 6.052 3.339 ( 0.185 -0.952 0.192) 0.989 3.462 ( 2.054 1.857 0.382) 2.795 3.553 ( 2.055 -0.781 -2.947) 3.676 3.643 ( 1.249 5.263 0.209) 5.413 3.719 ( 0.970 2.339 -6.759) 7.217 3.801 ( -3.827 0.248 1.728) 4.206 3.901 ( 3.396 6.898 0.176) 7.691 4.021 ( 0.959 1.455 -6.238) 6.476 4.080 ( -1.954 2.250 -0.630) 3.046 4.118 ( -2.832 1.676 4.443) 5.529 4.152 ( 4.164 0.709 0.746) 4.290 4.213 ( -1.032 1.708 0.967) 2.218 4.283 ( -1.163 3.568 -2.464) 4.489 4.395 ( 4.760 -0.467 -0.639) 4.825 4.462 ( 0.655 1.537 2.977) 3.414 4.531 ( -1.231 0.071 -0.934) 1.547 4.673 ( -2.048 -2.988 -1.627) 3.972 4.688 ( -0.862 -0.260 0.047) 0.901 4.837 ( -1.474 0.691 -2.402) 2.902 4.844 ( 2.696 -1.344 1.079) 3.200 4.923 ( -1.544 1.386 -0.834) 2.236 5.133 ( -2.029 0.673 -2.538) 3.318 5.210 ( 2.312 -1.001 4.135) 4.842 5.253 ( 1.507 -1.438 7.643) 7.922 5.300 ( 5.282 -3.755 2.262) 6.864 5.423 ( -3.701 0.505 -3.049) 4.822 5.481 ( 5.235 1.915 -2.180) 5.985 5.608 ( -3.922 -1.377 -1.253) 4.341 5.795 ( -1.083 1.314 -3.532) 3.921 5.931 ( -2.403 1.735 -1.500) 3.322 6.049 ( -1.834 -0.514 2.635) 3.251 6.287 ( -0.982 0.368 3.944) 4.081 6.431 ( 3.744 -1.871 -0.198) 4.190 6.453 ( -2.974 -1.093 -1.945) 3.718 6.566 ( -1.670 0.693 -2.759) 3.299 6.695 ( 1.972 -2.808 -4.240) 5.455 6.753 ( -0.682 -2.360 -0.024) 2.457 6.773 ( 1.844 -1.023 0.287) 2.128 6.898 ( -3.469 -2.540 6.709) 7.969 7.030 ( 2.668 -3.182 -0.630) 4.201 7.114 ( -2.370 -3.911 -0.798) 4.643 7.191 ( -2.533 0.655 -3.329) 4.234 7.287 ( 0.109 -1.574 1.200) 1.982 7.417 ( -1.801 -2.594 -1.506) 3.499 7.492 ( 1.811 -3.203 4.727) 5.991 7.553 ( 1.109 3.865 0.362) 4.038 7.610 ( 1.469 1.459 -4.044) 4.544 7.697 ( -1.304 1.359 0.657) 1.994 7.816 ( 1.757 -0.913 -1.082) 2.257 7.857 ( 0.713 -0.240 -2.385) 2.501 7.931 ( 2.526 -1.809 0.112) 3.109 8.014 ( -0.399 -2.364 2.422) 3.408 8.086 ( -2.025 0.325 -0.020) 2.051 8.151 ( 0.118 3.728 4.055) 5.509 8.256 ( -0.121 1.473 -1.930) 2.431 8.453 ( -1.347 3.741 -0.225) 3.982 8.498 ( 0.457 1.490 1.217) 1.978 8.550 ( 1.041 2.605 2.041) 3.470 8.644 ( 0.237 2.611 -1.892) 3.233 10.376 ( -0.082 19.186 2.047) 19.295 10.595 ( 2.616 20.107 -3.047) 20.504 11.861 ( 2.884 -5.458 4.155) 7.441 12.096 ( -1.931 -7.371 -6.302) 9.888 12.666 ( -8.292 1.503 0.335) 8.434 12.882 ( 5.597 4.876 3.822) 8.349 13.044 ( 6.301 2.208 10.486) 12.431 13.157 ( -8.418 12.999 -3.557) 15.890 13.672 ( -6.768 -2.210 14.731) 16.361 14.100 ( 2.734 11.377 -19.100) 22.400 14.232 ( 6.171 19.880 -19.305) 28.390 14.587 ( 7.666 -9.469 -4.924) 13.140 15.283 ( -5.505 4.964 -0.741) 7.449 15.345 ( -8.454 3.162 0.296) 9.031 15.463 ( 0.588 -3.060 7.266) 7.906 15.542 ( 1.496 -4.162 8.049) 9.184 15.828 ( 3.975 -3.864 8.076) 9.796 15.892 ( -3.538 -0.467 5.268) 6.363 16.045 ( -3.460 -0.453 -0.136) 3.492 16.074 ( -0.756 -1.540 1.096) 2.036 17.130 ( 4.518 -5.742 2.221) 7.636 17.228 ( -2.676 7.144 -6.138) 9.792 17.376 ( 1.349 -1.987 -0.627) 2.482 17.452 ( 1.151 -2.960 -0.956) 3.316 17.882 ( -2.363 -7.781 5.119) 9.608 17.944 ( -5.905 -1.493 -4.941) 7.843 18.097 ( 9.033 -14.621 3.764) 17.594 18.218 ( 0.411 -0.584 -7.327) 7.362 ======================= Grid point 80 (38/80) ======================= q-point: (-0.17 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 2.409 20.885 -8.647) 22.732 0.982 ( -11.087 21.012 -9.219) 25.484 1.617 ( 1.784 -0.071 -9.720) 9.882 1.628 ( -10.043 16.868 14.160) 24.206 1.845 ( 4.850 1.213 -1.005) 5.100 1.917 ( 4.137 7.757 -1.074) 8.856 2.022 ( 3.147 -4.036 -0.928) 5.202 2.096 ( -5.227 6.185 -1.289) 8.200 2.132 ( 3.805 -0.178 4.247) 5.706 2.296 ( 8.242 2.117 1.683) 8.674 2.393 ( -5.498 9.032 3.588) 11.166 2.408 ( -0.893 4.472 -2.111) 5.025 2.558 ( 2.788 1.154 3.608) 4.703 2.699 ( 0.997 0.036 -0.912) 1.352 2.709 ( -1.756 3.747 0.988) 4.254 2.765 ( 0.604 -3.661 -0.755) 3.786 2.828 ( -3.043 6.770 -2.311) 7.774 2.944 ( 2.229 -2.690 2.134) 4.094 3.028 ( -1.802 -4.043 3.984) 5.955 3.160 ( 2.109 -3.335 -4.627) 6.081 3.213 ( -2.493 1.416 6.576) 7.174 3.378 ( 1.252 -3.846 1.244) 4.231 3.560 ( 1.774 -2.074 -3.131) 4.153 3.600 ( 3.249 0.116 0.668) 3.319 3.632 ( 6.536 3.046 -7.677) 10.533 3.731 ( -2.664 4.427 4.543) 6.880 3.753 ( 1.885 3.716 2.363) 4.791 3.919 ( -4.723 1.507 3.712) 6.193 3.977 ( 0.944 1.953 -7.192) 7.512 4.001 ( 2.347 2.743 -5.881) 6.901 4.091 ( -3.293 1.730 0.609) 3.769 4.138 ( -1.051 2.134 0.448) 2.421 4.261 ( 3.588 0.901 1.950) 4.182 4.342 ( 4.799 2.270 0.459) 5.328 4.374 ( -4.325 -0.871 -4.841) 6.549 4.461 ( -3.021 -0.897 2.297) 3.900 4.528 ( 0.824 -4.159 0.928) 4.340 4.646 ( 0.250 -2.126 -3.738) 4.308 4.719 ( 5.209 0.343 3.162) 6.103 4.827 ( 0.579 -0.129 3.066) 3.123 4.883 ( -1.597 -0.676 0.914) 1.960 4.942 ( 2.487 2.005 1.158) 3.398 5.041 ( -5.341 0.064 -2.408) 5.859 5.224 ( -2.812 2.327 -0.678) 3.713 5.258 ( -5.401 3.631 -8.474) 10.685 5.375 ( 2.456 -3.858 4.755) 6.598 5.390 ( 2.362 -6.452 3.203) 7.580 5.531 ( 4.948 2.115 -1.470) 5.579 5.657 ( 6.400 -0.381 3.236) 7.182 5.815 ( 1.324 0.517 4.839) 5.043 5.867 ( -2.254 0.542 -1.817) 2.945 6.048 ( -1.637 -0.679 1.553) 2.356 6.270 ( -3.173 3.384 2.075) 5.082 6.323 ( -6.116 -4.400 -3.551) 8.329 6.472 ( -3.461 0.642 -0.244) 3.528 6.521 ( 5.750 -0.295 -2.692) 6.356 6.687 ( -3.420 -2.804 -0.540) 4.455 6.761 ( 2.849 -1.110 1.909) 3.605 6.830 ( -0.191 -1.986 1.226) 2.342 6.927 ( 1.546 -2.404 1.346) 3.159 7.021 ( -1.997 -2.286 0.149) 3.039 7.083 ( 2.101 -2.089 -1.366) 3.262 7.134 ( -0.343 1.175 -1.402) 1.861 7.287 ( -1.951 -2.435 0.338) 3.138 7.375 ( -1.096 -1.329 -2.279) 2.857 7.476 ( -2.560 2.536 -4.185) 5.523 7.604 ( 2.435 -1.014 2.535) 3.658 7.647 ( 2.565 1.596 1.571) 3.405 7.675 ( -0.906 3.021 -0.144) 3.157 7.791 ( -0.620 -0.200 -1.923) 2.030 7.875 ( 1.400 -1.962 -1.368) 2.772 7.975 ( -1.370 -2.240 -0.956) 2.794 7.990 ( 1.006 -1.393 -0.942) 1.960 8.083 ( -0.496 -0.924 4.590) 4.708 8.180 ( -1.091 3.838 -0.565) 4.030 8.268 ( 2.725 1.321 0.512) 3.072 8.424 ( -1.064 4.000 -0.043) 4.139 8.511 ( -0.871 0.454 2.641) 2.818 8.601 ( 2.186 1.011 1.116) 2.655 8.628 ( -0.781 1.405 -0.588) 1.712 10.397 ( 0.232 19.965 1.427) 20.017 10.617 ( 3.043 18.535 -4.092) 19.223 11.976 ( 2.417 -7.312 4.226) 8.785 12.030 ( 1.842 -5.866 -2.888) 6.793 12.413 ( -9.587 2.835 -5.774) 11.545 12.954 ( -3.541 16.761 2.769) 17.353 13.115 ( -1.546 17.427 14.053) 22.440 13.349 ( 12.598 -4.730 5.376) 14.490 13.689 ( -5.905 -4.997 9.445) 12.208 13.886 ( -2.888 10.227 -21.007) 23.542 14.146 ( 3.441 10.794 -11.821) 16.374 14.591 ( 3.139 -21.809 -9.631) 24.047 15.208 ( 0.925 5.488 -3.664) 6.664 15.276 ( 2.636 5.640 -1.028) 6.310 15.505 ( -3.970 -0.758 9.336) 10.173 15.598 ( -5.222 -1.498 11.214) 12.460 15.855 ( -5.526 3.439 3.025) 7.177 15.907 ( -5.947 4.461 1.725) 7.632 16.111 ( 6.234 -4.790 6.321) 10.088 16.181 ( 4.254 -4.568 4.632) 7.773 17.142 ( 2.467 14.488 -1.451) 14.768 17.228 ( 1.631 -4.653 0.376) 4.945 17.334 ( -0.520 1.814 -3.504) 3.980 17.480 ( 2.146 -6.362 -0.229) 6.718 17.721 ( -6.388 -4.391 -9.691) 12.410 17.897 ( -2.878 -8.386 2.429) 9.193 18.148 ( 0.614 -1.283 -3.287) 3.582 18.280 ( 4.993 -15.094 1.556) 15.974 ======================= Grid point 81 (39/80) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 6.549 18.332 7.860) 20.993 1.443 ( 11.775 21.547 -9.287) 26.252 1.533 ( -0.307 4.304 -10.862) 11.688 1.858 ( -1.214 4.436 2.773) 5.370 1.928 ( 1.828 -3.144 -0.744) 3.712 2.008 ( -1.824 1.589 0.895) 2.580 2.090 ( 3.497 3.908 -0.789) 5.303 2.177 ( -2.635 9.295 8.345) 12.766 2.281 ( -2.928 -3.273 -3.683) 5.731 2.302 ( -6.098 6.032 -2.298) 8.880 2.385 ( -3.989 -11.852 1.061) 12.550 2.521 ( -2.904 2.801 -1.987) 4.498 2.525 ( 3.213 6.231 -3.195) 7.704 2.680 ( -2.447 -4.781 -0.706) 5.417 2.716 ( 1.510 -0.837 3.069) 3.521 2.797 ( 6.595 1.488 0.207) 6.764 2.843 ( -2.031 -0.482 -3.893) 4.417 2.906 ( -2.405 3.534 3.675) 5.637 3.044 ( 0.849 7.810 1.575) 8.013 3.117 ( -0.973 -1.782 1.383) 2.456 3.222 ( -5.142 -1.364 4.157) 6.751 3.388 ( 0.931 -2.019 6.747) 7.104 3.526 ( -0.200 -0.507 4.196) 4.231 3.592 ( 0.168 -1.525 0.514) 1.618 3.654 ( 0.913 -1.004 -0.552) 1.465 3.774 ( -0.472 1.061 -1.764) 2.112 3.871 ( 0.521 -2.021 -3.127) 3.759 3.954 ( 1.457 -0.155 -1.148) 1.861 4.033 ( -0.889 4.451 9.513) 10.541 4.074 ( 0.543 4.884 -5.653) 7.490 4.116 ( 2.087 3.157 -5.675) 6.821 4.188 ( -1.715 1.924 -3.046) 3.990 4.199 ( 0.833 3.880 -4.192) 5.772 4.344 ( -1.803 2.084 -0.971) 2.922 4.432 ( -0.395 1.202 5.847) 5.982 4.464 ( 1.473 0.030 4.061) 4.320 4.558 ( 3.329 2.282 1.744) 4.396 4.643 ( 0.375 1.419 -1.585) 2.160 4.756 ( -0.164 -2.173 -3.272) 3.931 4.805 ( -3.398 1.248 0.524) 3.657 4.886 ( -0.602 -3.631 1.527) 3.985 4.893 ( 2.847 -2.180 0.504) 3.621 5.070 ( 2.751 3.510 -3.249) 5.518 5.137 ( -1.425 -0.159 -6.485) 6.641 5.201 ( -2.237 -2.913 -5.726) 6.803 5.205 ( -1.965 -0.085 -2.623) 3.279 5.462 ( 0.076 -1.023 3.621) 3.763 5.584 ( 0.493 -5.312 -0.075) 5.335 5.675 ( -1.468 -4.392 -1.004) 4.739 5.771 ( 3.916 -3.366 1.662) 5.424 5.977 ( 1.215 2.928 7.397) 8.048 5.998 ( -2.120 -1.137 2.508) 3.475 6.228 ( -0.005 1.066 1.312) 1.690 6.366 ( 0.749 4.413 3.410) 5.627 6.442 ( -0.194 -0.109 -0.911) 0.938 6.510 ( 0.917 -4.771 1.880) 5.209 6.632 ( -2.396 1.141 -1.812) 3.213 6.716 ( -0.355 -0.386 1.624) 1.706 6.848 ( -0.145 -1.014 1.854) 2.118 6.895 ( 1.243 -1.336 -2.448) 3.053 6.948 ( 1.631 -1.826 0.716) 2.551 7.138 ( 1.214 -0.722 -1.796) 2.285 7.146 ( 1.367 -0.429 0.674) 1.583 7.204 ( 0.238 -2.181 -0.034) 2.195 7.300 ( -2.947 0.027 -5.520) 6.257 7.414 ( -1.194 -1.095 -4.552) 4.832 7.640 ( 1.799 -0.179 -0.837) 1.992 7.676 ( -0.276 -1.141 -0.891) 1.473 7.765 ( 0.770 2.548 -0.607) 2.730 7.777 ( -1.477 1.122 0.932) 2.076 7.865 ( -0.501 -0.039 2.275) 2.329 7.921 ( 3.455 -0.716 1.573) 3.863 7.972 ( -0.456 -0.820 1.185) 1.511 8.098 ( -1.821 -0.823 5.827) 6.160 8.197 ( -1.790 3.733 -4.719) 6.277 8.315 ( -0.574 -0.243 -0.125) 0.636 8.487 ( -0.460 2.153 0.570) 2.274 8.545 ( -0.224 1.120 2.754) 2.981 8.605 ( -0.008 1.211 -1.988) 2.328 8.670 ( 1.337 1.118 -0.154) 1.749 10.850 ( -0.814 22.698 1.063) 22.738 10.994 ( 1.289 18.833 -3.069) 19.125 11.861 ( 0.283 -8.451 2.941) 8.953 11.906 ( 0.870 -9.065 0.287) 9.111 12.512 ( 5.468 9.374 1.429) 10.945 13.136 ( -8.684 -2.722 -3.815) 9.868 13.245 ( -4.981 2.254 -9.671) 11.109 13.487 ( -5.441 1.876 1.653) 5.988 13.657 ( -9.328 18.800 13.958) 25.204 14.009 ( 10.486 2.353 -7.604) 13.165 14.155 ( 6.903 -9.930 -2.352) 12.320 14.353 ( 13.237 4.860 -0.766) 14.121 15.336 ( -5.095 -8.037 5.050) 10.773 15.363 ( -2.551 -7.417 6.379) 10.110 15.477 ( 4.115 7.123 -0.387) 8.235 15.592 ( 1.942 7.303 1.272) 7.663 15.871 ( -2.173 5.387 -1.109) 5.914 15.958 ( -4.113 5.659 0.427) 7.009 16.073 ( -4.534 -1.942 -1.011) 5.035 16.157 ( -2.403 -1.850 0.123) 3.035 17.166 ( -1.568 -3.389 1.745) 4.122 17.291 ( -1.139 -0.607 -1.011) 1.639 17.352 ( 0.629 -4.101 -0.285) 4.159 17.511 ( -1.007 -2.328 -4.870) 5.491 17.623 ( 1.905 -1.412 0.440) 2.412 17.662 ( 4.899 3.247 -0.747) 5.925 17.979 ( -4.192 -14.764 2.306) 15.520 18.136 ( 5.853 -3.993 -1.982) 7.357 ======================= Grid point 82 (40/80) ======================= q-point: ( 0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -1.322 2.469 -10.825) 11.181 1.507 ( 9.981 16.959 -1.947) 19.775 1.646 ( -2.789 8.603 -0.846) 9.083 1.764 ( -0.133 8.422 -1.909) 8.636 1.885 ( -11.006 -2.071 -2.289) 11.430 1.932 ( -0.206 8.498 -1.879) 8.706 2.022 ( -5.073 2.137 -1.183) 5.631 2.105 ( -9.597 1.178 3.900) 10.426 2.220 ( 1.393 4.511 -1.073) 4.842 2.339 ( 1.123 0.226 4.080) 4.237 2.345 ( 3.057 -6.035 2.349) 7.161 2.436 ( -2.543 -2.152 0.748) 3.414 2.520 ( 0.003 2.874 -3.277) 4.359 2.571 ( -10.328 -8.242 -1.164) 13.265 2.715 ( 3.821 1.842 -4.438) 6.139 2.843 ( -6.595 1.821 0.854) 6.895 2.882 ( 0.549 -2.476 8.731) 9.092 2.964 ( 4.455 7.146 -0.234) 8.424 3.084 ( 5.729 8.332 0.941) 10.155 3.153 ( 4.542 -0.421 4.918) 6.708 3.205 ( -2.004 0.915 4.608) 5.107 3.462 ( 1.145 -3.117 1.293) 3.563 3.554 ( -1.709 0.856 2.001) 2.767 3.626 ( 1.005 4.613 4.638) 6.618 3.650 ( -2.328 -1.751 1.251) 3.170 3.737 ( -0.705 -0.296 -2.592) 2.702 3.877 ( 3.027 -0.913 -3.933) 5.046 3.952 ( 0.955 2.687 -0.736) 2.945 4.035 ( -1.299 -2.858 2.178) 3.821 4.083 ( 1.054 6.786 -2.754) 7.399 4.095 ( 0.424 3.557 0.013) 3.582 4.139 ( 1.182 3.645 -4.784) 6.129 4.228 ( 1.459 0.561 -2.525) 2.970 4.298 ( 0.393 4.040 -0.647) 4.110 4.457 ( -3.286 0.423 -0.970) 3.452 4.486 ( -0.334 0.374 3.455) 3.491 4.604 ( -0.397 1.244 -1.828) 2.246 4.670 ( 2.348 0.067 4.462) 5.043 4.718 ( -1.131 -1.737 -1.913) 2.820 4.768 ( -1.854 2.345 3.305) 4.456 4.858 ( -0.447 -4.868 -3.337) 5.919 4.979 ( 1.485 -3.184 2.809) 4.498 5.075 ( 0.060 3.232 -7.938) 8.571 5.086 ( 3.101 1.994 -3.841) 5.325 5.103 ( 0.302 -2.504 -1.439) 2.904 5.171 ( 0.071 -2.724 -1.479) 3.101 5.463 ( -1.699 -2.513 2.211) 3.754 5.546 ( -1.585 -6.015 -0.063) 6.220 5.704 ( 0.595 -1.742 1.613) 2.447 5.817 ( -0.106 -1.268 -2.527) 2.829 5.961 ( -4.256 0.210 3.057) 5.245 6.059 ( 0.957 -1.519 3.464) 3.902 6.264 ( 2.617 2.667 3.726) 5.277 6.416 ( -0.041 0.168 -2.372) 2.378 6.445 ( 1.998 2.461 4.584) 5.574 6.532 ( 0.139 -1.860 1.020) 2.126 6.638 ( 3.305 -0.924 -0.888) 3.545 6.769 ( 0.875 -0.366 3.699) 3.819 6.815 ( -1.556 -2.494 -0.038) 2.940 6.858 ( -0.937 5.043 -3.170) 6.030 7.022 ( 1.769 -1.770 1.348) 2.842 7.120 ( -1.065 -2.833 -1.456) 3.359 7.153 ( 0.333 -2.162 -2.309) 3.180 7.181 ( -1.668 -0.528 -2.004) 2.660 7.255 ( 2.483 -3.086 -0.643) 4.012 7.337 ( -1.912 -2.877 -3.122) 4.656 7.615 ( -0.731 2.260 -3.146) 3.942 7.697 ( 0.738 -1.813 0.750) 2.096 7.732 ( -2.379 0.710 0.896) 2.639 7.803 ( 2.624 1.253 0.540) 2.957 7.893 ( 0.489 0.935 0.503) 1.168 7.959 ( -1.294 -0.766 1.001) 1.806 8.004 ( 1.126 0.697 1.553) 2.041 8.115 ( -2.149 2.901 -1.037) 3.756 8.130 ( 0.502 0.565 3.012) 3.105 8.279 ( -1.879 -0.859 -0.386) 2.102 8.484 ( -0.338 1.749 0.130) 1.787 8.557 ( -1.233 -0.330 1.857) 2.253 8.599 ( 1.236 4.104 -1.447) 4.524 8.701 ( 1.757 0.681 -0.413) 1.929 10.831 ( -2.068 23.093 1.239) 23.219 10.992 ( 1.628 19.827 -2.828) 20.094 11.824 ( -4.494 -6.285 0.484) 7.741 11.975 ( 4.174 -7.997 1.890) 9.217 12.606 ( -3.398 -1.798 -0.891) 3.946 12.921 ( -8.002 -6.585 -2.185) 10.591 13.107 ( 6.091 4.483 -4.427) 8.764 13.386 ( -6.436 12.081 6.233) 15.040 13.667 ( -5.234 14.364 11.839) 19.336 14.049 ( 6.492 -15.831 -11.660) 20.706 14.430 ( 18.056 10.313 -4.958) 21.376 14.645 ( 17.281 12.817 -6.814) 22.569 15.247 ( -6.195 -5.766 0.649) 8.488 15.354 ( -6.527 -5.247 5.096) 9.803 15.549 ( -5.071 3.726 3.297) 7.104 15.596 ( 3.955 1.677 2.085) 4.775 15.825 ( -5.096 1.167 4.643) 6.992 15.922 ( 3.457 2.090 1.452) 4.292 16.022 ( -0.937 6.505 4.602) 8.023 16.098 ( -1.565 1.383 0.651) 2.188 17.078 ( -10.262 -7.898 0.317) 12.953 17.211 ( -6.696 -9.831 -3.717) 12.462 17.343 ( 1.084 1.861 -1.632) 2.702 17.469 ( -1.815 -3.885 -3.146) 5.318 17.510 ( -0.129 -3.120 -3.309) 4.550 17.863 ( -4.691 -11.279 1.576) 12.317 17.943 ( 10.078 2.708 0.956) 10.480 18.258 ( 6.850 -3.274 -1.055) 7.665 ======================= Grid point 83 (41/80) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 2.733 -0.366 -10.837) 11.183 1.502 ( -0.604 5.570 -6.247) 8.392 1.575 ( -5.209 -0.554 -5.885) 7.879 1.697 ( 8.666 15.383 -1.535) 17.722 1.742 ( -10.082 -5.114 4.452) 12.150 1.880 ( -4.606 -4.398 -0.816) 6.420 1.972 ( -3.733 7.631 -3.595) 9.225 2.012 ( 1.982 10.176 4.984) 11.503 2.175 ( -8.763 -7.196 3.708) 11.930 2.322 ( -3.914 3.217 0.954) 5.155 2.367 ( -4.371 -3.364 4.438) 7.080 2.446 ( -3.391 -3.460 -2.773) 5.582 2.479 ( 2.399 2.913 -1.583) 4.092 2.527 ( 6.966 -2.754 0.287) 7.496 2.730 ( -0.300 0.612 -1.954) 2.070 2.800 ( 4.054 1.879 1.176) 4.621 2.960 ( -2.250 2.636 6.141) 7.051 3.058 ( 2.704 4.071 6.580) 8.197 3.150 ( -6.131 0.998 2.968) 6.884 3.209 ( 3.395 9.210 2.884) 10.231 3.288 ( 0.644 -1.728 1.086) 2.140 3.413 ( -2.308 0.002 -6.735) 7.120 3.519 ( -0.960 0.352 -1.932) 2.186 3.649 ( -1.585 3.974 6.907) 8.125 3.676 ( -0.073 0.571 -6.343) 6.369 3.712 ( 3.658 3.192 1.658) 5.130 3.891 ( 1.259 2.616 -3.165) 4.295 3.977 ( -0.254 3.675 3.389) 5.005 4.024 ( -1.422 4.439 -0.896) 4.747 4.071 ( 4.276 -3.097 -3.108) 6.126 4.119 ( -0.583 3.981 1.566) 4.317 4.152 ( 4.091 0.606 -1.272) 4.327 4.212 ( 0.717 4.826 -1.148) 5.012 4.358 ( 3.231 3.767 1.309) 5.132 4.367 ( -2.578 1.446 -3.712) 4.745 4.499 ( -1.287 -0.063 4.089) 4.287 4.558 ( -0.820 -1.895 -4.578) 5.022 4.662 ( -2.003 -2.036 -1.046) 3.042 4.744 ( -0.678 -2.783 3.467) 4.497 4.768 ( -1.472 2.030 2.271) 3.383 4.841 ( 1.095 -4.102 0.140) 4.248 4.999 ( 0.337 -0.759 1.164) 1.430 5.016 ( 1.478 -2.406 -5.103) 5.833 5.101 ( 0.125 -1.358 -1.432) 1.978 5.135 ( 2.334 0.759 -2.118) 3.242 5.215 ( 4.146 0.823 4.685) 6.310 5.460 ( -3.738 2.143 0.774) 4.378 5.473 ( -4.866 -2.817 -0.241) 5.627 5.719 ( 2.346 -3.888 -2.253) 5.069 5.785 ( 2.223 -1.412 -2.015) 3.316 5.909 ( -3.165 0.881 0.961) 3.424 6.084 ( -0.806 -4.513 1.648) 4.872 6.343 ( -0.810 1.791 1.577) 2.520 6.410 ( 0.012 -0.743 1.645) 1.806 6.541 ( 3.091 4.475 2.178) 5.859 6.559 ( 3.084 0.752 0.886) 3.296 6.672 ( 1.189 -2.061 -1.438) 2.781 6.696 ( -1.825 1.761 -4.787) 5.417 6.805 ( -1.265 -2.915 2.262) 3.901 6.882 ( -3.846 0.351 2.930) 4.848 6.980 ( -0.941 0.989 -4.687) 4.882 7.102 ( 3.423 -3.612 -3.273) 5.956 7.153 ( 0.302 -3.864 1.746) 4.251 7.168 ( -1.555 -2.234 0.707) 2.812 7.275 ( 0.252 -4.961 -0.362) 4.980 7.355 ( 5.840 -2.585 -0.240) 6.391 7.577 ( -0.301 3.105 -2.584) 4.051 7.688 ( -1.219 1.045 0.888) 1.835 7.725 ( -1.561 -1.481 2.132) 3.030 7.838 ( 0.276 -0.491 -0.573) 0.804 7.878 ( 0.050 4.242 -1.759) 4.593 7.936 ( -2.620 -0.751 -0.540) 2.779 8.003 ( 0.251 0.024 0.843) 0.880 8.093 ( -2.705 0.917 3.666) 4.648 8.171 ( 2.566 1.346 -2.300) 3.699 8.273 ( -0.138 -1.007 2.887) 3.061 8.483 ( 0.038 2.092 0.466) 2.144 8.546 ( -0.941 0.466 0.720) 1.273 8.608 ( 0.813 4.977 -0.809) 5.107 8.719 ( 0.750 1.268 -0.910) 1.732 10.805 ( -1.957 22.881 1.532) 23.015 10.998 ( 1.935 20.306 -3.003) 20.618 11.744 ( -3.289 -5.399 -0.530) 6.344 12.052 ( 1.935 -9.412 -0.540) 9.624 12.461 ( -2.766 -5.582 -5.214) 8.124 12.787 ( -6.960 -9.547 8.143) 14.349 13.272 ( -0.423 16.964 -1.890) 17.074 13.412 ( 2.532 10.722 15.026) 18.632 13.715 ( 4.199 1.762 3.790) 5.924 14.033 ( 2.759 -11.439 -10.805) 15.975 14.630 ( 12.037 19.787 -12.377) 26.260 14.811 ( 11.361 18.871 -12.340) 25.248 15.151 ( -2.579 -1.764 -0.702) 3.202 15.256 ( -2.771 -1.414 0.409) 3.138 15.517 ( -3.478 -1.700 7.394) 8.346 15.643 ( -4.180 -2.735 8.460) 9.825 15.817 ( -3.036 -1.083 -0.228) 3.231 15.943 ( -4.523 -1.900 0.322) 4.917 16.121 ( 4.660 6.186 9.222) 12.043 16.192 ( 3.127 4.060 3.201) 6.043 16.802 ( -11.909 -14.565 -3.554) 19.147 17.043 ( -5.323 -13.637 1.328) 14.699 17.375 ( 3.320 1.736 -1.644) 4.091 17.453 ( 3.281 -5.102 -2.941) 6.742 17.486 ( -0.767 -2.352 -0.873) 2.623 17.764 ( -6.159 -10.744 3.671) 12.917 18.130 ( 7.403 4.373 -1.377) 8.708 18.321 ( 2.123 -0.974 -4.287) 4.882 ======================= Grid point 84 (42/80) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 10.209 -3.177 -6.221) 12.370 1.463 ( 0.889 4.772 -12.053) 12.994 1.542 ( -0.850 1.592 3.682) 4.101 1.622 ( 3.325 -0.711 4.050) 5.288 1.776 ( 2.683 2.516 -3.060) 4.784 1.917 ( 1.616 -0.665 1.961) 2.627 1.944 ( 3.854 4.378 0.647) 5.868 1.998 ( -9.965 -3.255 4.959) 11.597 2.108 ( 1.937 7.042 4.301) 8.476 2.277 ( -0.494 -1.630 3.621) 4.001 2.348 ( -3.147 1.160 -4.306) 5.458 2.399 ( 4.858 -3.321 0.468) 5.903 2.521 ( 1.290 1.621 0.586) 2.153 2.640 ( 2.295 2.469 5.510) 6.460 2.734 ( -1.333 -1.335 -0.072) 1.888 2.854 ( -9.469 3.575 -4.379) 11.028 2.883 ( 2.245 4.164 -0.950) 4.825 3.003 ( -2.374 0.624 4.662) 5.268 3.151 ( -3.258 -1.430 -0.272) 3.568 3.203 ( -2.684 -3.091 -8.412) 9.356 3.233 ( -6.504 7.533 3.652) 10.601 3.337 ( 2.996 4.164 -4.242) 6.657 3.504 ( 0.828 0.506 -0.581) 1.131 3.616 ( -1.389 1.240 -3.011) 3.540 3.682 ( -0.723 3.460 4.319) 5.581 3.786 ( 1.638 3.694 -0.897) 4.139 3.874 ( -0.968 2.896 0.949) 3.198 4.010 ( 0.801 3.977 0.646) 4.108 4.054 ( 1.376 1.733 2.954) 3.690 4.096 ( 1.964 1.345 -4.163) 4.795 4.130 ( 1.038 3.183 0.899) 3.467 4.194 ( 0.606 -1.609 -2.263) 2.842 4.241 ( 2.069 5.593 1.443) 6.135 4.313 ( 2.187 3.420 -2.297) 4.664 4.430 ( -0.879 0.894 4.720) 4.883 4.477 ( -1.654 3.293 1.006) 3.820 4.570 ( 3.704 -2.290 -1.789) 4.708 4.621 ( -0.549 -0.452 -2.190) 2.303 4.689 ( -2.222 -3.107 -2.592) 4.616 4.776 ( -2.140 0.889 4.707) 5.246 4.887 ( 1.020 -4.564 1.130) 4.812 5.005 ( -0.766 1.084 -0.630) 1.469 5.044 ( 1.330 -7.067 2.191) 7.517 5.101 ( 2.124 -0.782 0.728) 2.378 5.162 ( 1.952 2.172 0.661) 2.995 5.275 ( -5.579 4.540 -1.096) 7.275 5.376 ( 5.826 1.289 2.510) 6.473 5.474 ( -0.300 -0.665 0.703) 1.013 5.699 ( -1.508 -2.029 -3.845) 4.601 5.850 ( 2.065 0.553 -3.332) 3.959 5.870 ( -0.507 -4.997 3.336) 6.030 6.082 ( -0.603 -4.392 1.543) 4.694 6.293 ( -3.914 3.444 -2.111) 5.625 6.382 ( -1.060 -0.167 0.769) 1.320 6.541 ( -1.660 1.518 -4.972) 5.457 6.604 ( 0.494 3.683 3.412) 5.045 6.678 ( -1.180 -5.765 -5.574) 8.105 6.739 ( 0.354 2.432 -0.700) 2.556 6.760 ( 3.921 -0.956 2.855) 4.944 6.856 ( -2.987 -1.928 5.855) 6.850 6.918 ( 0.683 0.240 -4.723) 4.778 7.097 ( -2.870 -3.665 -1.419) 4.866 7.165 ( 0.962 -4.613 0.206) 4.717 7.195 ( 3.785 -4.582 -2.705) 6.530 7.315 ( 1.550 -1.642 5.347) 5.805 7.454 ( 1.508 -3.221 0.077) 3.557 7.551 ( 1.214 2.963 -1.471) 3.524 7.681 ( -0.103 1.725 0.004) 1.728 7.704 ( -2.221 -0.305 2.728) 3.531 7.829 ( 0.551 0.549 -2.013) 2.158 7.865 ( 0.407 -0.040 -2.947) 2.976 7.888 ( -0.496 1.733 -0.728) 1.944 8.009 ( -1.354 -0.211 1.220) 1.834 8.081 ( -1.383 -0.974 2.310) 2.864 8.189 ( 1.242 2.025 -0.770) 2.498 8.289 ( -1.184 -0.628 1.840) 2.276 8.496 ( 0.268 2.125 1.530) 2.632 8.538 ( -0.725 1.183 0.422) 1.450 8.618 ( 0.728 5.316 -0.057) 5.366 8.713 ( 0.126 1.995 -1.658) 2.597 10.792 ( -0.945 22.198 1.554) 22.273 11.002 ( 1.763 19.921 -3.383) 20.283 11.704 ( -0.312 -6.084 -0.112) 6.093 12.010 ( -1.614 -11.553 -6.686) 13.446 12.491 ( 5.806 -3.083 4.838) 8.162 12.839 ( -0.265 -9.189 14.531) 17.195 13.136 ( -6.652 12.112 -7.578) 15.760 13.503 ( -3.985 12.354 5.742) 14.194 13.851 ( -4.848 5.137 8.689) 11.198 14.001 ( 7.904 -6.565 -6.013) 11.905 14.699 ( 10.879 22.953 -16.492) 30.285 14.873 ( 7.153 22.755 -13.124) 27.225 15.195 ( 3.941 -5.870 7.802) 10.529 15.264 ( -0.096 -4.273 5.087) 6.644 15.521 ( -4.598 2.408 5.447) 7.524 15.626 ( -10.202 4.992 2.334) 11.595 15.679 ( -3.691 -5.842 -1.579) 7.088 15.789 ( -6.236 -7.655 -3.746) 10.560 16.121 ( -3.614 -3.461 -5.148) 7.180 16.178 ( -3.363 -0.743 -3.138) 4.659 16.785 ( 5.698 -8.100 9.161) 13.490 17.121 ( 4.239 -10.970 10.443) 15.728 17.404 ( 0.280 1.028 -4.837) 4.953 17.427 ( 0.850 -0.795 -1.639) 2.010 17.578 ( 6.059 -9.658 5.058) 12.472 17.718 ( -3.610 -7.905 6.271) 10.716 18.155 ( -1.981 3.480 -5.764) 7.018 18.282 ( 1.235 0.309 -7.767) 7.870 ======================= Grid point 85 (43/80) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 1.384 15.293 -14.211) 20.923 1.510 ( 8.769 -3.049 -3.773) 10.021 1.559 ( 5.572 -1.003 -2.000) 6.005 1.754 ( -8.052 7.429 -1.425) 11.048 1.866 ( 3.611 -2.778 1.091) 4.685 1.896 ( 4.915 5.236 5.678) 9.155 1.959 ( 7.207 -0.061 4.564) 8.531 2.072 ( 2.093 -2.606 -2.258) 4.034 2.122 ( -1.578 4.070 0.405) 4.384 2.234 ( -0.883 2.836 -5.784) 6.502 2.388 ( 1.286 1.529 1.395) 2.437 2.460 ( 0.633 -0.130 5.623) 5.660 2.578 ( 6.773 3.938 2.551) 8.239 2.677 ( -0.644 -3.412 7.233) 8.024 2.712 ( -2.143 4.641 4.751) 6.979 2.792 ( 0.527 -2.874 0.339) 2.942 2.915 ( 2.784 0.952 -4.822) 5.649 2.986 ( -2.454 2.481 -1.666) 3.867 3.003 ( -2.278 1.548 -4.465) 5.246 3.113 ( -0.226 -3.112 -6.627) 7.324 3.177 ( -4.605 1.120 9.033) 10.201 3.376 ( 0.629 2.805 1.840) 3.413 3.489 ( -3.908 -2.185 -2.345) 5.055 3.554 ( -0.625 3.836 1.668) 4.229 3.701 ( 0.113 1.706 -0.234) 1.726 3.805 ( 1.699 5.348 0.327) 5.621 3.831 ( -3.438 1.987 0.971) 4.088 4.004 ( -2.488 1.166 0.899) 2.891 4.043 ( 0.594 -0.634 -5.868) 5.932 4.116 ( -0.091 1.614 -2.130) 2.674 4.171 ( 2.505 1.706 0.113) 3.033 4.185 ( 1.411 2.375 2.582) 3.781 4.273 ( -0.030 5.450 0.278) 5.457 4.362 ( -0.627 3.615 -2.701) 4.556 4.401 ( -0.066 1.720 0.610) 1.826 4.494 ( -2.068 0.981 1.388) 2.677 4.523 ( 0.960 0.889 -3.188) 3.446 4.634 ( 1.215 0.626 -1.547) 2.064 4.712 ( 1.548 -1.030 3.021) 3.547 4.809 ( -0.685 -1.700 3.964) 4.368 4.820 ( -2.485 0.955 -3.062) 4.057 4.971 ( -1.881 -0.206 2.078) 2.810 5.082 ( 2.540 -3.242 -3.408) 5.345 5.167 ( 1.654 -4.834 2.708) 5.783 5.250 ( 1.497 1.352 4.910) 5.308 5.257 ( 2.833 1.770 2.480) 4.160 5.423 ( -2.013 -0.050 -2.189) 2.974 5.504 ( 3.876 -0.555 -1.612) 4.234 5.604 ( -3.408 0.623 -1.862) 3.933 5.835 ( 0.989 2.482 -4.176) 4.957 5.911 ( 1.036 -4.966 3.996) 6.457 6.027 ( -4.984 -0.782 -1.147) 5.173 6.274 ( -0.059 -0.469 3.182) 3.217 6.390 ( 1.053 -1.201 -0.699) 1.743 6.442 ( -3.782 -0.852 -1.941) 4.336 6.534 ( -3.775 -3.113 -3.532) 6.035 6.679 ( 3.355 1.094 0.248) 3.538 6.748 ( -3.192 1.196 -1.127) 3.590 6.792 ( 0.941 1.007 0.652) 1.525 6.861 ( -0.060 0.123 3.882) 3.884 6.975 ( 4.602 -1.751 -0.702) 4.973 7.020 ( -2.257 -4.884 -2.616) 5.983 7.173 ( 0.403 -2.109 -1.751) 2.771 7.236 ( 2.106 -3.493 -0.271) 4.088 7.377 ( -2.189 -1.220 0.513) 2.558 7.423 ( 0.257 -3.309 3.610) 4.904 7.615 ( 3.585 2.553 0.884) 4.490 7.664 ( -0.159 2.131 -3.602) 4.188 7.711 ( -0.264 1.186 1.801) 2.173 7.809 ( 0.547 0.372 -1.858) 1.973 7.857 ( 1.028 -0.496 -2.263) 2.534 7.897 ( 0.984 -0.990 -0.675) 1.550 7.986 ( -2.008 -0.587 2.029) 2.914 8.075 ( -1.522 -1.258 1.423) 2.434 8.214 ( 0.868 2.310 2.563) 3.557 8.278 ( -0.403 0.416 -0.033) 0.581 8.513 ( -0.274 2.219 0.953) 2.431 8.525 ( -1.005 1.287 0.968) 1.898 8.628 ( 0.046 4.211 0.030) 4.211 8.694 ( -0.178 2.079 -2.087) 2.951 10.804 ( 0.503 21.892 1.701) 21.963 11.000 ( 1.647 19.041 -3.270) 19.390 11.733 ( 2.564 -7.406 1.530) 7.985 11.913 ( -0.779 -10.668 -6.516) 12.525 12.673 ( -0.371 0.487 5.283) 5.319 12.934 ( 5.065 3.036 -4.650) 7.516 13.061 ( 3.161 -3.439 13.792) 14.561 13.441 ( -3.166 10.789 -1.714) 11.374 13.803 ( -11.139 14.555 17.845) 25.581 14.072 ( 4.041 -7.401 -7.120) 11.037 14.610 ( -1.376 17.239 -24.236) 29.774 14.710 ( -11.401 14.544 -13.988) 23.177 15.333 ( -1.782 -6.970 10.675) 12.873 15.388 ( -0.686 -3.149 2.510) 4.085 15.403 ( -1.854 2.697 -6.752) 7.503 15.426 ( -2.024 -0.756 9.263) 9.512 15.717 ( 7.864 -5.373 3.234) 10.059 15.844 ( 7.192 -2.778 6.181) 9.882 16.038 ( -1.156 -0.933 -2.356) 2.785 16.084 ( -2.488 -0.345 -2.510) 3.551 17.002 ( 5.956 -4.441 7.350) 10.451 17.278 ( 3.047 -7.061 4.897) 9.117 17.342 ( -0.277 3.133 -4.382) 5.394 17.426 ( 1.027 -0.575 -4.652) 4.799 17.705 ( -2.393 -8.756 9.503) 13.142 17.807 ( 5.776 -10.947 7.447) 14.445 17.978 ( -7.305 3.433 -9.111) 12.172 18.203 ( -0.417 -1.358 -9.888) 9.989 ======================= Grid point 86 (44/80) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 1.834 18.505 -6.206) 19.604 1.431 ( -0.129 20.631 -12.733) 24.244 1.647 ( 1.027 3.053 -7.095) 7.792 1.742 ( 7.922 -1.210 0.246) 8.017 1.861 ( 2.184 -4.922 2.350) 5.875 2.032 ( 2.044 4.005 -4.617) 6.445 2.049 ( -1.832 2.667 0.103) 3.237 2.109 ( 3.806 4.284 10.299) 11.785 2.231 ( 2.587 4.478 5.424) 7.494 2.270 ( 11.021 -1.612 0.109) 11.139 2.400 ( -0.063 -1.999 -1.387) 2.434 2.559 ( 1.482 -0.204 0.518) 1.583 2.601 ( -7.238 2.888 0.686) 7.823 2.689 ( 2.337 -0.979 -1.362) 2.877 2.721 ( -1.391 3.214 -2.188) 4.130 2.757 ( -3.508 -1.480 4.493) 5.889 2.912 ( -0.611 2.137 -0.923) 2.406 2.969 ( -1.745 -0.876 -3.290) 3.826 3.001 ( 1.884 4.167 -0.312) 4.584 3.085 ( 0.381 -1.339 3.505) 3.771 3.217 ( -0.875 -2.912 7.877) 8.443 3.319 ( -2.654 0.924 4.191) 5.046 3.505 ( 1.406 -2.815 3.908) 5.017 3.574 ( 0.056 -1.598 1.504) 2.195 3.672 ( -0.572 0.849 -3.697) 3.836 3.800 ( 0.194 2.229 -1.832) 2.892 3.866 ( 2.157 4.803 2.311) 5.750 3.952 ( -2.234 0.226 2.183) 3.131 3.977 ( -2.033 1.241 -2.821) 3.692 4.088 ( 2.333 3.890 -4.176) 6.165 4.181 ( -1.478 4.376 -5.421) 7.122 4.210 ( -1.105 3.758 -1.938) 4.371 4.276 ( 2.539 2.067 -0.354) 3.293 4.354 ( -0.156 -1.115 0.610) 1.281 4.375 ( -1.808 1.719 3.460) 4.266 4.451 ( -3.478 1.573 1.704) 4.180 4.512 ( 1.303 2.096 -2.848) 3.769 4.643 ( 1.030 1.750 -1.327) 2.426 4.747 ( 2.366 0.667 -0.085) 2.459 4.806 ( 2.914 -1.161 1.312) 3.400 4.852 ( -1.754 -0.894 1.478) 2.462 4.943 ( -3.405 -2.805 1.399) 4.628 5.070 ( 1.578 2.396 -5.131) 5.878 5.201 ( -0.453 -8.000 0.224) 8.016 5.251 ( -3.736 0.605 -0.040) 3.785 5.313 ( 0.067 0.396 -4.634) 4.651 5.387 ( 1.716 3.656 2.821) 4.926 5.534 ( 3.136 -1.758 -2.157) 4.193 5.625 ( 4.832 -2.672 2.281) 5.974 5.805 ( -2.646 -1.833 -1.689) 3.635 5.921 ( -2.480 3.183 1.792) 4.415 5.988 ( 0.045 -4.506 3.478) 5.692 6.256 ( -3.200 -0.327 0.298) 3.230 6.342 ( -1.411 2.600 1.179) 3.185 6.444 ( 0.959 -4.681 -1.756) 5.091 6.490 ( -0.646 -0.241 2.746) 2.831 6.685 ( -0.905 1.897 -1.043) 2.347 6.739 ( -1.969 -1.469 2.961) 3.848 6.790 ( 1.234 -1.947 0.078) 2.307 6.904 ( 1.477 -0.113 -1.127) 1.861 6.943 ( -1.515 -2.985 -0.459) 3.379 7.070 ( 5.052 -0.041 -1.169) 5.185 7.151 ( -0.362 -0.164 -1.485) 1.538 7.231 ( -1.998 -3.085 -0.178) 3.679 7.361 ( 0.616 -0.317 -1.147) 1.340 7.459 ( 0.485 -3.128 -1.991) 3.740 7.619 ( 0.748 1.826 -3.018) 3.606 7.679 ( 1.245 1.076 0.543) 1.733 7.728 ( 1.048 2.450 2.294) 3.516 7.808 ( -1.051 1.864 -1.686) 2.724 7.844 ( 1.207 -1.011 -0.718) 1.730 7.906 ( -0.398 -3.363 0.660) 3.450 7.968 ( -1.599 -0.549 1.340) 2.157 8.075 ( -1.221 -0.805 4.364) 4.602 8.250 ( -0.467 2.645 -0.549) 2.741 8.288 ( 2.316 0.560 0.337) 2.406 8.499 ( -0.818 2.626 -0.408) 2.780 8.528 ( -0.974 1.335 2.786) 3.239 8.622 ( 0.145 1.513 -1.301) 2.001 8.669 ( -0.536 1.965 -1.031) 2.283 10.836 ( 0.781 22.180 1.520) 22.246 10.999 ( 1.501 18.429 -3.122) 18.751 11.811 ( 2.166 -9.118 2.705) 9.755 11.876 ( 1.956 -9.449 -2.026) 9.860 12.532 ( -4.922 9.094 -5.753) 11.833 13.183 ( 6.890 3.256 6.036) 9.722 13.256 ( 4.797 -6.211 7.514) 10.865 13.415 ( 2.483 10.530 2.389) 11.079 13.761 ( -11.848 13.898 14.611) 23.388 14.019 ( 1.174 -0.918 -13.184) 13.268 14.277 ( -11.576 -2.486 -11.137) 16.255 14.323 ( -5.663 5.470 -12.559) 14.822 15.343 ( 1.439 1.603 -3.475) 4.088 15.359 ( -2.508 -7.499 5.949) 9.896 15.420 ( 1.326 2.638 2.607) 3.939 15.527 ( 0.217 2.871 6.633) 7.231 15.899 ( 2.325 -0.759 0.669) 2.535 16.010 ( -2.528 3.274 1.377) 4.360 16.055 ( 4.756 -0.293 4.469) 6.533 16.096 ( 6.285 -3.268 3.487) 7.895 17.133 ( 2.371 -3.450 3.338) 5.354 17.311 ( -0.548 1.204 -0.028) 1.323 17.350 ( 1.189 -5.117 -0.875) 5.326 17.409 ( 7.081 3.124 -6.403) 10.044 17.695 ( -6.675 -0.260 -2.899) 7.282 17.747 ( -6.021 -2.147 -0.535) 6.415 17.964 ( 1.830 -14.117 5.805) 15.373 18.112 ( 1.076 -3.124 -6.779) 7.542 ======================= Grid point 87 (45/80) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -5.659 11.422 -0.343) 12.751 1.679 ( 3.992 15.469 5.664) 16.950 1.788 ( 8.703 6.506 -1.912) 11.033 1.836 ( 2.607 -3.562 0.616) 4.457 1.905 ( 1.454 0.363 0.263) 1.521 1.996 ( 6.105 -11.632 4.664) 13.940 2.058 ( -1.787 -2.025 -2.540) 3.707 2.082 ( -3.972 -3.639 0.105) 5.388 2.256 ( -4.911 2.657 -2.521) 6.126 2.378 ( 1.818 -5.456 -6.128) 8.404 2.435 ( -1.509 6.284 -5.092) 8.227 2.487 ( -1.818 5.206 -0.007) 5.515 2.559 ( -2.302 -3.199 -2.032) 4.434 2.613 ( -1.992 -6.194 -2.101) 6.837 2.736 ( -1.877 7.314 -4.964) 9.036 2.852 ( -3.302 3.563 -4.788) 6.820 2.896 ( 8.945 0.846 -0.969) 9.037 2.976 ( 5.612 0.123 2.735) 6.244 3.043 ( -1.291 -1.153 3.535) 3.936 3.102 ( -0.489 -3.318 9.431) 10.010 3.275 ( -3.978 6.366 5.708) 9.430 3.369 ( -3.226 -1.283 6.108) 7.026 3.495 ( -1.764 -1.145 8.105) 8.373 3.522 ( 0.507 -3.052 5.190) 6.042 3.652 ( 0.464 1.140 -2.274) 2.585 3.722 ( -0.282 -5.197 -6.481) 8.312 3.860 ( 0.870 0.652 -1.638) 1.966 3.893 ( 0.056 -2.691 1.038) 2.885 4.139 ( -1.273 2.741 -3.333) 4.499 4.167 ( 0.432 1.866 -0.334) 1.944 4.182 ( -1.695 6.731 1.994) 7.222 4.258 ( 1.243 2.198 -3.576) 4.378 4.287 ( 0.908 2.816 -4.310) 5.228 4.333 ( -0.294 -3.564 0.886) 3.684 4.473 ( -0.239 2.367 5.281) 5.792 4.508 ( 0.036 3.082 2.126) 3.744 4.589 ( 3.296 1.137 -2.063) 4.051 4.681 ( 0.423 -4.277 -2.366) 4.906 4.695 ( -1.454 3.279 1.769) 3.999 4.788 ( -1.871 -4.889 0.275) 5.242 4.880 ( -0.522 4.762 -1.466) 5.010 4.895 ( 2.705 1.867 -1.712) 3.705 5.035 ( 0.414 -4.658 -2.010) 5.089 5.056 ( 1.582 -4.467 -2.991) 5.604 5.242 ( -1.445 6.324 -3.954) 7.597 5.311 ( -2.283 6.888 -6.921) 10.028 5.398 ( -0.906 -6.731 -3.591) 7.682 5.458 ( -0.396 -5.971 -4.017) 7.208 5.632 ( 1.080 0.807 4.447) 4.647 5.689 ( 1.781 -3.994 4.261) 6.106 5.992 ( -0.838 0.652 3.842) 3.986 6.005 ( 0.043 -0.088 4.765) 4.766 6.276 ( 0.857 3.361 2.239) 4.129 6.361 ( 1.683 -4.791 1.042) 5.184 6.437 ( -0.877 2.495 4.976) 5.635 6.480 ( -1.671 -1.226 3.147) 3.769 6.653 ( -2.398 2.198 -0.640) 3.315 6.713 ( -0.026 -1.976 -0.795) 2.130 6.818 ( 0.165 0.012 -0.182) 0.246 6.849 ( 4.134 -1.826 2.595) 5.211 7.011 ( 1.654 5.309 -1.217) 5.693 7.099 ( 1.943 -2.630 -2.102) 3.887 7.133 ( -0.800 -0.621 -0.099) 1.018 7.154 ( -0.158 -2.730 -0.573) 2.794 7.316 ( -2.335 1.595 -5.622) 6.293 7.363 ( -1.164 -2.945 -5.507) 6.353 7.640 ( 1.475 0.417 -1.895) 2.437 7.656 ( 0.091 -0.961 -2.586) 2.760 7.795 ( -1.350 1.185 0.623) 1.901 7.807 ( -0.580 0.656 0.807) 1.191 7.865 ( 0.992 0.556 1.780) 2.112 7.895 ( 2.826 -1.882 1.863) 3.873 8.005 ( -1.158 3.270 5.257) 6.298 8.067 ( -1.771 -2.383 5.989) 6.684 8.261 ( -1.141 2.502 -3.267) 4.270 8.299 ( -0.680 -1.294 -1.549) 2.130 8.520 ( -0.794 1.350 0.894) 1.803 8.544 ( -0.690 -0.912 1.333) 1.756 8.650 ( 1.269 2.389 -1.726) 3.209 8.680 ( 1.221 -0.417 -1.410) 1.912 11.291 ( 0.008 19.736 1.444) 19.789 11.357 ( 0.857 16.262 -0.697) 16.300 11.642 ( 0.501 -13.132 3.148) 13.513 11.674 ( 1.491 -13.508 1.020) 13.628 12.748 ( 0.489 12.729 -2.355) 12.955 12.984 ( -7.171 -9.850 -4.744) 13.075 13.271 ( -3.420 3.566 -9.517) 10.724 13.436 ( 4.939 -10.399 -10.746) 15.748 13.970 ( -11.092 9.406 11.586) 18.595 13.998 ( -10.885 6.078 9.104) 15.437 14.259 ( 16.146 7.434 -0.728) 17.790 14.372 ( 15.187 -2.887 1.482) 15.530 15.146 ( -4.994 -5.954 9.649) 12.389 15.179 ( -4.705 -8.132 11.090) 14.534 15.673 ( 4.110 9.150 -5.539) 11.458 15.747 ( 0.361 4.085 -5.330) 6.725 15.933 ( 3.220 2.315 -2.617) 4.752 16.001 ( 2.641 -2.098 -2.512) 4.206 16.049 ( -4.682 1.128 -3.205) 5.785 16.111 ( -0.110 -3.306 -1.668) 3.704 17.124 ( -4.681 0.145 2.920) 5.519 17.185 ( -5.250 -5.409 1.722) 7.732 17.370 ( 2.409 2.472 -2.336) 4.168 17.433 ( 2.842 -3.760 -3.542) 5.896 17.584 ( -7.646 2.336 3.769) 8.838 17.716 ( -6.143 -9.888 4.758) 12.575 17.864 ( 8.405 9.494 -2.485) 12.921 18.030 ( 6.962 -6.609 -3.224) 10.127 ======================= Grid point 88 (46/80) ======================= q-point: ( 0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -8.147 9.732 -2.932) 13.026 1.707 ( -11.761 -8.520 0.130) 14.523 1.806 ( -7.204 7.279 -2.010) 10.437 1.860 ( 2.586 11.992 3.479) 12.751 1.896 ( -4.172 5.327 -1.152) 6.864 1.948 ( -8.141 -4.848 -0.495) 9.488 2.030 ( -1.194 -6.066 3.762) 7.236 2.142 ( 1.785 -10.403 -0.387) 10.562 2.211 ( -1.373 8.486 -2.737) 9.022 2.325 ( 8.096 4.575 2.860) 9.729 2.333 ( -8.357 -0.845 -9.003) 12.313 2.394 ( -1.462 -2.225 -1.054) 2.863 2.484 ( -5.990 2.306 -3.019) 7.093 2.613 ( 8.735 -6.661 -2.373) 11.238 2.656 ( -0.553 3.400 -2.623) 4.330 2.762 ( -0.209 -3.444 -3.561) 4.958 3.026 ( 3.079 7.755 2.397) 8.681 3.091 ( -1.915 4.539 10.630) 11.716 3.124 ( 4.706 -0.955 -0.134) 4.804 3.193 ( -4.019 -2.341 8.505) 9.694 3.271 ( 3.800 6.813 3.038) 8.371 3.377 ( 2.508 -3.956 0.743) 4.743 3.566 ( 0.283 -0.245 6.397) 6.408 3.590 ( 0.067 -2.445 -1.691) 2.973 3.644 ( 0.974 -0.001 3.535) 3.666 3.686 ( 2.705 -3.786 -4.728) 6.634 3.893 ( 2.548 0.637 1.126) 2.858 3.928 ( 1.900 -3.096 1.098) 3.794 4.077 ( -3.777 5.505 2.485) 7.123 4.149 ( 0.543 4.070 -2.218) 4.667 4.156 ( -1.529 -0.401 1.379) 2.098 4.226 ( 0.605 0.830 -6.613) 6.693 4.269 ( -0.030 3.598 -2.477) 4.369 4.344 ( 2.163 -1.090 -2.602) 3.555 4.484 ( -2.374 3.289 1.458) 4.310 4.528 ( -0.368 2.471 0.993) 2.688 4.618 ( -0.648 -2.760 0.949) 2.990 4.648 ( -1.142 -1.305 -1.758) 2.470 4.685 ( -1.039 1.389 -0.057) 1.736 4.760 ( -0.809 -3.036 -0.144) 3.145 4.865 ( -0.383 4.167 -0.691) 4.241 4.930 ( 0.866 -2.145 -0.274) 2.330 5.018 ( 0.273 -1.309 -1.681) 2.148 5.061 ( 1.803 -3.496 -3.937) 5.565 5.205 ( 0.202 6.270 -4.115) 7.502 5.219 ( 1.850 5.305 -1.598) 5.841 5.383 ( 1.340 -5.036 -0.969) 5.301 5.401 ( 0.627 -7.225 -3.909) 8.238 5.707 ( 1.011 2.161 3.286) 4.061 5.769 ( 1.283 -3.256 1.630) 3.861 5.978 ( -3.516 1.547 2.863) 4.791 6.018 ( -1.809 -2.180 1.665) 3.286 6.326 ( 1.155 3.097 2.383) 4.075 6.384 ( -0.826 -2.492 -0.212) 2.633 6.480 ( 0.770 0.824 5.312) 5.431 6.498 ( 1.082 -1.227 3.386) 3.761 6.650 ( 1.934 1.925 0.200) 2.736 6.710 ( 0.565 -3.844 0.673) 3.943 6.850 ( 1.060 4.773 1.377) 5.080 6.950 ( 2.604 -2.125 3.337) 4.736 7.000 ( -0.940 3.589 -4.811) 6.075 7.060 ( -3.288 -1.264 -3.104) 4.695 7.110 ( -0.307 -1.276 -1.544) 2.026 7.161 ( 1.228 -4.766 -0.254) 4.929 7.220 ( -1.239 1.986 -3.564) 4.264 7.272 ( -1.541 -2.912 -3.695) 4.951 7.637 ( 0.351 0.514 -2.383) 2.463 7.657 ( 1.140 -1.596 -0.756) 2.102 7.777 ( -1.391 2.770 1.174) 3.314 7.814 ( 0.521 -0.532 0.783) 1.080 7.910 ( 1.725 1.019 0.801) 2.158 7.940 ( 0.470 -1.498 0.403) 1.621 8.034 ( -1.648 2.553 4.112) 5.113 8.088 ( -2.431 -2.335 5.656) 6.584 8.203 ( -0.429 3.196 -2.522) 4.094 8.253 ( -1.448 -1.764 -1.466) 2.713 8.518 ( -0.338 1.576 0.724) 1.767 8.545 ( -0.636 -0.969 1.243) 1.700 8.670 ( 2.274 2.676 -1.719) 3.910 8.704 ( 2.352 -0.622 -1.435) 2.825 11.288 ( -1.814 20.471 1.337) 20.595 11.371 ( 1.333 16.960 -0.555) 17.022 11.639 ( -2.748 -11.619 1.181) 11.998 11.734 ( 2.469 -15.342 2.055) 15.674 12.616 ( -9.835 3.507 -4.711) 11.455 12.745 ( -11.239 -8.599 -3.370) 14.548 13.269 ( 13.220 11.721 -2.742) 17.879 13.524 ( 11.185 -8.347 -2.796) 14.234 13.840 ( -8.596 3.461 1.013) 9.322 13.886 ( -9.464 4.369 5.462) 11.768 14.662 ( 21.774 9.520 -1.332) 23.802 14.775 ( 21.005 -0.448 -0.457) 21.015 15.164 ( -2.082 -0.983 8.346) 8.658 15.225 ( -1.390 -6.094 11.746) 13.305 15.596 ( -10.297 1.716 -4.854) 11.512 15.620 ( -5.971 -0.197 -3.631) 6.991 15.874 ( -1.127 4.087 -2.538) 4.941 15.935 ( -0.122 -0.671 -5.704) 5.745 16.113 ( 6.702 2.078 3.473) 7.829 16.136 ( 3.491 0.573 1.699) 3.924 16.948 ( -16.043 -2.441 -0.165) 16.229 17.012 ( -13.607 -7.894 -0.860) 15.755 17.389 ( 1.657 2.447 -1.748) 3.434 17.446 ( 1.465 -3.085 -2.167) 4.044 17.477 ( -4.492 4.459 1.026) 6.412 17.628 ( -6.166 -9.955 3.289) 12.163 18.061 ( 11.310 6.350 -0.762) 12.993 18.177 ( 9.182 -4.859 -1.799) 10.543 ======================= Grid point 89 (47/80) ======================= q-point: ( 0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -4.406 6.226 -3.943) 8.586 1.481 ( -10.246 -7.880 0.112) 12.926 1.623 ( -3.804 6.283 -0.469) 7.360 1.724 ( -9.960 0.640 -2.298) 10.241 1.783 ( -4.933 -0.897 4.429) 6.690 1.941 ( -12.605 -11.951 5.037) 18.085 1.989 ( 2.596 11.115 0.191) 11.416 2.107 ( 0.124 2.919 -3.381) 4.468 2.174 ( 1.789 4.513 -1.462) 5.070 2.292 ( 1.418 -4.132 -2.141) 4.865 2.310 ( -3.347 -2.594 -1.621) 4.534 2.343 ( -2.108 -2.311 1.788) 3.603 2.518 ( 4.689 3.196 -0.858) 5.739 2.635 ( 1.153 -5.826 -2.328) 6.379 2.680 ( 3.932 9.187 -2.934) 10.415 2.824 ( 4.538 -2.551 -2.716) 5.872 3.065 ( -3.060 5.319 3.032) 6.844 3.114 ( 2.391 0.850 -0.619) 2.612 3.161 ( -6.431 0.914 5.701) 8.642 3.204 ( 1.266 -3.194 0.460) 3.467 3.393 ( 1.585 5.600 6.542) 8.756 3.446 ( 2.338 1.669 -1.184) 3.107 3.502 ( -3.031 0.336 -2.273) 3.803 3.592 ( 1.267 -5.786 -5.449) 8.048 3.726 ( 3.688 2.808 4.854) 6.712 3.760 ( 2.165 0.487 4.758) 5.250 3.943 ( 1.179 0.496 -0.880) 1.553 3.972 ( 2.627 -3.986 0.018) 4.774 4.072 ( -0.247 4.349 1.785) 4.707 4.109 ( -3.031 2.546 -1.713) 4.313 4.174 ( 1.035 3.055 -0.854) 3.337 4.190 ( 1.635 0.832 2.724) 3.284 4.258 ( 0.592 1.470 -1.504) 2.185 4.340 ( 0.770 -3.754 -1.587) 4.148 4.469 ( -0.165 4.559 0.113) 4.563 4.511 ( -1.261 2.365 -0.049) 2.681 4.562 ( -2.321 -0.238 -1.325) 2.683 4.619 ( -2.150 -5.266 1.395) 5.857 4.675 ( 1.536 2.763 -2.363) 3.947 4.766 ( 0.942 -2.836 0.704) 3.070 4.838 ( -2.017 1.933 0.003) 2.794 4.900 ( -1.857 -4.745 -1.141) 5.221 5.017 ( 0.364 0.798 -0.178) 0.895 5.051 ( 1.524 -2.184 -2.977) 3.994 5.232 ( 2.388 6.473 -0.327) 6.907 5.294 ( 5.041 4.358 2.846) 7.246 5.390 ( 0.017 -4.129 -0.820) 4.210 5.441 ( 3.684 -4.494 0.044) 5.812 5.693 ( -2.661 1.968 -1.421) 3.602 5.749 ( -1.218 -2.448 -2.083) 3.437 5.937 ( -2.659 2.144 1.055) 3.575 5.999 ( -1.636 -3.739 1.382) 4.309 6.362 ( -0.349 0.695 1.176) 1.409 6.383 ( 0.339 -1.423 2.303) 2.728 6.558 ( 3.516 -0.113 2.109) 4.102 6.572 ( 2.914 -1.162 2.003) 3.722 6.687 ( 0.511 3.026 1.766) 3.540 6.743 ( -0.123 -2.165 2.837) 3.571 6.781 ( -4.028 4.930 -6.359) 8.998 6.880 ( -5.708 -2.487 -4.387) 7.617 6.996 ( 0.549 1.107 -1.202) 1.724 7.041 ( 2.946 -1.369 0.582) 3.300 7.088 ( -0.520 -1.808 -0.159) 1.888 7.118 ( -2.273 -3.785 -4.559) 6.347 7.238 ( 2.817 2.153 2.301) 4.227 7.299 ( 4.453 -3.008 0.857) 5.442 7.617 ( -0.588 1.666 -1.134) 2.099 7.661 ( -0.729 -2.541 0.721) 2.740 7.766 ( -1.113 3.669 1.197) 4.017 7.821 ( -0.697 -1.542 0.258) 1.712 7.926 ( -0.451 0.506 -1.526) 1.669 7.937 ( 0.339 0.114 -1.439) 1.483 8.016 ( -1.541 2.109 1.293) 2.915 8.070 ( -2.718 -2.419 1.943) 4.125 8.211 ( 1.208 2.073 0.101) 2.401 8.248 ( 0.247 -1.512 1.848) 2.400 8.522 ( -0.184 1.672 1.156) 2.041 8.546 ( -0.507 -0.595 1.273) 1.494 8.693 ( 1.825 3.062 -1.627) 3.918 8.729 ( 1.720 -0.481 -1.578) 2.384 11.256 ( -2.091 19.914 0.234) 20.025 11.388 ( 1.348 17.799 -1.775) 17.938 11.582 ( -2.894 -10.464 -0.774) 10.884 11.772 ( 0.409 -17.232 -1.410) 17.294 12.442 ( -3.773 3.349 0.292) 5.054 12.576 ( -5.711 -9.335 4.790) 11.945 13.568 ( 7.344 11.299 -6.278) 14.867 13.649 ( 1.002 10.665 12.219) 16.249 13.733 ( -3.863 -2.687 -7.300) 8.685 13.816 ( 8.325 -8.619 4.878) 12.938 14.931 ( 8.135 7.512 -1.845) 11.226 15.013 ( 5.438 0.869 -1.151) 5.626 15.207 ( -0.518 7.707 -0.563) 7.745 15.351 ( -3.007 8.320 -2.310) 9.144 15.412 ( 6.710 -6.327 1.803) 9.397 15.523 ( 0.751 -6.523 2.741) 7.115 15.848 ( -0.296 3.459 -4.625) 5.783 15.918 ( 3.222 -1.946 -5.158) 6.385 16.212 ( -2.908 1.691 -4.042) 5.259 16.236 ( 0.855 -0.193 -4.224) 4.314 16.605 ( -15.312 -1.666 9.569) 18.133 16.742 ( -12.326 -13.071 10.497) 20.807 17.404 ( 1.711 1.439 -1.696) 2.806 17.430 ( -0.066 0.031 -1.680) 1.681 17.458 ( -0.403 1.411 1.819) 2.337 17.571 ( -3.903 -8.067 4.670) 10.105 18.218 ( 6.710 4.013 -3.593) 8.604 18.286 ( 4.940 -2.537 -4.735) 7.298 ======================= Grid point 90 (48/80) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 4.526 2.892 -1.399) 5.551 1.399 ( 0.193 -6.124 2.206) 6.513 1.597 ( -0.894 2.207 -1.105) 2.625 1.644 ( 1.487 -0.507 4.602) 4.863 1.810 ( 0.844 -0.698 7.193) 7.276 1.872 ( -0.206 -0.756 3.337) 3.428 1.918 ( -1.837 3.245 2.343) 4.404 2.077 ( -1.047 -5.217 -6.714) 8.567 2.223 ( 1.536 8.586 -0.125) 8.724 2.254 ( 3.610 2.161 0.256) 4.215 2.332 ( 1.330 -1.777 1.916) 2.932 2.385 ( 1.668 -0.519 1.645) 2.400 2.541 ( 1.235 1.961 -2.002) 3.063 2.648 ( 1.219 -6.756 -0.229) 6.869 2.743 ( 3.941 5.863 -1.118) 7.153 2.844 ( 2.404 -3.603 -4.006) 5.900 2.985 ( -11.480 5.217 -5.551) 13.777 3.043 ( -2.571 2.963 2.608) 4.710 3.114 ( -3.207 -3.627 -7.079) 8.576 3.129 ( -0.323 -2.788 -4.960) 5.699 3.370 ( -4.985 7.058 -1.636) 8.794 3.447 ( -0.729 3.398 1.283) 3.705 3.503 ( -1.813 -0.392 4.121) 4.519 3.566 ( 1.496 -4.521 -2.345) 5.308 3.793 ( -0.639 5.911 2.777) 6.562 3.852 ( 2.082 2.371 3.268) 4.542 3.919 ( -1.321 1.136 -1.590) 2.359 3.990 ( -2.707 -4.671 4.140) 6.803 4.047 ( 1.807 -0.077 -6.025) 6.290 4.102 ( -2.479 -2.476 -0.533) 3.544 4.194 ( 2.203 4.142 1.198) 4.841 4.235 ( 1.144 2.229 -2.855) 3.799 4.314 ( 3.085 3.330 7.687) 8.927 4.371 ( 2.697 0.192 2.425) 3.632 4.443 ( -0.837 2.170 -1.290) 2.659 4.511 ( -0.160 -2.184 -0.893) 2.365 4.573 ( 2.610 1.198 2.426) 3.759 4.593 ( -2.492 -2.439 2.289) 4.171 4.681 ( 1.957 4.489 -3.441) 5.985 4.766 ( -1.665 -2.443 0.893) 3.088 4.825 ( 0.199 -0.343 1.375) 1.431 4.893 ( 1.736 -6.336 0.416) 6.583 5.033 ( -0.063 1.845 2.049) 2.758 5.076 ( 3.015 -1.859 -0.647) 3.601 5.256 ( 0.635 5.560 0.187) 5.599 5.333 ( -2.656 -0.711 -1.615) 3.189 5.423 ( 2.908 3.141 1.299) 4.474 5.461 ( 0.009 -0.577 -1.603) 1.704 5.661 ( 0.294 -0.099 -1.349) 1.385 5.737 ( -0.297 -6.484 2.709) 7.033 5.905 ( -0.019 3.859 -1.261) 4.059 5.992 ( 0.005 -4.431 1.159) 4.580 6.347 ( -2.716 1.925 -0.660) 3.394 6.374 ( -2.048 -0.715 1.007) 2.391 6.550 ( -3.302 0.079 -3.749) 4.997 6.576 ( -3.128 -3.049 -4.913) 6.574 6.701 ( -0.981 4.030 2.153) 4.674 6.748 ( 1.106 -0.644 2.800) 3.079 6.785 ( 5.667 1.560 0.812) 5.934 6.821 ( 2.032 -0.866 1.064) 2.452 6.939 ( -2.018 1.154 -4.306) 4.894 7.001 ( -4.423 -4.768 -1.985) 6.799 7.106 ( 2.226 -0.832 -0.689) 2.474 7.124 ( 3.957 -2.262 -2.488) 5.192 7.320 ( 1.305 2.117 4.798) 5.405 7.383 ( 1.020 -3.560 1.979) 4.199 7.603 ( 0.446 2.296 0.350) 2.365 7.651 ( -0.705 -2.436 1.178) 2.797 7.759 ( -0.516 3.279 0.841) 3.424 7.811 ( 0.218 -1.787 -0.231) 1.815 7.884 ( -0.368 1.808 -4.133) 4.526 7.917 ( 0.110 -0.370 -3.458) 3.479 8.012 ( -1.271 1.063 1.790) 2.439 8.048 ( -1.318 -1.998 1.327) 2.737 8.229 ( 0.278 1.846 0.889) 2.068 8.264 ( -0.502 -1.564 1.590) 2.286 8.534 ( -0.240 1.436 1.840) 2.346 8.550 ( -0.627 -0.086 1.470) 1.600 8.706 ( 0.941 2.969 -1.264) 3.362 8.736 ( 0.695 -0.016 -1.747) 1.880 11.226 ( -0.736 19.204 -0.297) 19.220 11.379 ( 0.659 17.269 -3.593) 17.651 11.535 ( -0.585 -10.993 -1.109) 11.064 11.724 ( -0.994 -16.066 -5.413) 16.983 12.499 ( 4.020 3.736 9.389) 10.875 12.634 ( 1.901 -9.186 12.837) 15.899 13.366 ( -6.274 10.581 -13.695) 18.408 13.563 ( -3.524 -7.384 -11.063) 13.760 13.966 ( 5.783 8.368 15.655) 18.669 14.033 ( 1.252 3.117 13.382) 13.798 15.026 ( 2.976 3.117 -0.045) 4.310 15.054 ( 0.068 -2.149 2.063) 2.980 15.192 ( 1.597 7.893 0.878) 8.101 15.301 ( 1.779 2.336 1.402) 3.254 15.590 ( 10.406 7.998 -5.960) 14.414 15.624 ( -1.280 2.614 -13.052) 13.373 15.673 ( -4.460 -1.029 -4.343) 6.310 15.741 ( -22.207 2.984 -11.634) 25.246 15.954 ( 3.385 -9.643 -7.501) 12.677 16.052 ( -2.164 -11.387 -10.519) 15.652 16.742 ( 3.883 3.401 20.646) 21.282 16.884 ( 3.557 -10.149 20.531) 23.177 17.408 ( 0.258 -0.054 -3.251) 3.262 17.413 ( 1.410 -0.490 -2.665) 3.055 17.499 ( 0.503 0.876 6.763) 6.838 17.574 ( -1.965 -5.871 7.326) 9.591 18.224 ( -0.354 3.034 -7.874) 8.446 18.270 ( 0.878 -1.441 -8.610) 8.774 ======================= Grid point 91 (49/80) ======================= q-point: (-0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 9.051 0.735 -0.280) 9.085 1.488 ( 6.516 -3.367 1.046) 7.409 1.625 ( 3.861 9.349 -4.358) 11.014 1.755 ( 5.334 -5.118 3.892) 8.354 1.821 ( 1.730 3.529 0.481) 3.959 1.955 ( 1.419 -4.348 -1.035) 4.689 2.004 ( 1.248 0.760 -0.770) 1.651 2.063 ( 2.712 -0.470 7.828) 8.298 2.242 ( 1.524 11.068 -2.537) 11.457 2.313 ( 1.792 5.609 -4.763) 7.574 2.354 ( 5.694 -2.495 0.799) 6.267 2.489 ( 6.521 -4.356 -0.968) 7.902 2.582 ( -2.260 -0.680 8.013) 8.353 2.634 ( -2.798 -0.116 -0.921) 2.948 2.732 ( -1.452 -1.950 1.468) 2.840 2.780 ( -1.471 1.940 -7.313) 7.708 2.864 ( -0.143 -3.987 -1.471) 4.252 2.910 ( 1.240 -3.345 -3.202) 4.794 3.085 ( 2.213 2.876 -3.418) 4.985 3.115 ( 0.615 0.640 -4.458) 4.546 3.268 ( -5.675 6.334 4.404) 9.577 3.385 ( -6.115 -3.634 1.560) 7.282 3.501 ( -3.018 3.893 4.439) 6.631 3.573 ( -1.962 -1.958 2.528) 3.752 3.787 ( -0.893 6.024 -2.739) 6.678 3.865 ( -2.140 0.977 -1.322) 2.699 3.902 ( 0.747 1.976 1.640) 2.674 3.949 ( -3.761 -4.011 -1.830) 5.795 4.017 ( 0.256 0.748 2.252) 2.386 4.093 ( 1.299 -3.725 3.413) 5.217 4.211 ( 0.995 1.317 -2.177) 2.732 4.224 ( 0.654 1.134 -2.513) 2.834 4.383 ( -0.568 4.073 -2.877) 5.018 4.416 ( -2.146 0.843 -2.998) 3.782 4.459 ( -0.378 3.343 5.319) 6.294 4.507 ( 3.532 -0.026 1.239) 3.743 4.569 ( -2.837 2.476 2.209) 4.366 4.644 ( 1.744 -3.981 0.837) 4.426 4.692 ( 1.646 4.366 -1.411) 4.875 4.768 ( 0.063 -2.620 1.944) 3.263 4.838 ( 0.781 1.446 0.104) 1.647 4.940 ( 1.837 -6.581 0.052) 6.833 5.025 ( -1.350 3.949 0.281) 4.183 5.114 ( 0.202 -3.265 -0.748) 3.356 5.290 ( 1.627 3.320 2.733) 4.597 5.314 ( 2.378 1.668 0.444) 2.938 5.423 ( -0.294 0.418 -3.510) 3.547 5.462 ( 2.150 -2.951 -3.031) 4.745 5.636 ( -3.598 3.240 2.091) 5.274 5.753 ( -2.648 -7.757 4.627) 9.413 5.915 ( 2.285 4.091 -1.830) 5.030 5.993 ( -1.205 -2.979 -1.263) 3.453 6.296 ( -0.965 2.392 0.531) 2.634 6.354 ( 0.085 -2.827 -0.158) 2.833 6.438 ( -3.885 1.149 -2.295) 4.656 6.477 ( -3.085 -2.383 -1.509) 4.180 6.710 ( -0.115 1.387 1.739) 2.228 6.740 ( -2.895 -1.708 1.917) 3.870 6.825 ( -2.707 3.310 -1.240) 4.452 6.892 ( -0.753 -0.957 -1.913) 2.268 6.943 ( 5.249 -0.448 -0.376) 5.282 6.962 ( 5.848 -0.222 -1.412) 6.020 7.128 ( 1.261 -1.137 -1.400) 2.201 7.159 ( 1.600 -3.501 -1.791) 4.246 7.363 ( -1.465 -0.191 1.858) 2.374 7.373 ( -0.908 -1.357 2.925) 3.349 7.654 ( 2.461 1.106 1.473) 3.074 7.669 ( 0.985 -0.558 0.330) 1.179 7.764 ( 0.160 3.030 0.561) 3.085 7.822 ( 0.783 -2.462 -0.049) 2.584 7.839 ( 0.492 2.424 -4.175) 4.853 7.884 ( 0.455 -1.336 -3.930) 4.176 7.993 ( -2.533 1.541 2.499) 3.878 8.038 ( -1.727 -2.318 2.144) 3.599 8.250 ( 0.859 1.344 1.603) 2.261 8.272 ( 0.287 -0.823 0.954) 1.292 8.544 ( -0.650 0.836 1.771) 2.063 8.547 ( -1.158 0.578 1.210) 1.772 8.698 ( -0.429 2.413 -1.449) 2.847 8.720 ( -0.331 0.269 -1.993) 2.038 11.229 ( 1.076 18.919 0.277) 18.952 11.356 ( 0.745 15.881 -3.133) 16.205 11.543 ( 1.852 -11.830 -0.053) 11.974 11.660 ( 0.062 -14.008 -4.684) 14.771 12.723 ( 5.090 4.753 11.963) 13.843 12.860 ( 6.342 -7.974 14.259) 17.525 13.148 ( -0.181 11.145 -12.070) 16.430 13.405 ( 0.865 -11.777 -13.437) 17.889 14.104 ( -9.030 10.572 17.725) 22.527 14.117 ( -5.361 7.999 14.881) 17.725 14.859 ( -13.631 5.360 -21.335) 25.879 14.901 ( -17.734 2.204 -17.180) 24.789 15.170 ( -7.447 -3.660 8.303) 11.738 15.225 ( -11.469 -7.036 4.663) 14.240 15.461 ( 8.273 3.987 0.139) 9.185 15.524 ( 12.088 0.184 4.429) 12.876 15.716 ( 10.635 8.127 -8.765) 15.999 15.824 ( 10.338 0.350 -0.376) 10.351 15.970 ( 3.821 -4.769 -3.475) 7.029 15.998 ( 3.253 -7.517 -6.766) 10.624 16.989 ( 3.505 3.267 12.476) 13.364 17.113 ( 2.623 -8.120 11.218) 14.095 17.380 ( 0.666 1.265 -3.661) 3.930 17.406 ( 1.528 -1.279 -4.220) 4.667 17.593 ( -1.103 -1.217 11.030) 11.151 17.643 ( 0.023 -5.452 9.953) 11.348 18.071 ( -4.891 4.861 -10.915) 12.911 18.156 ( -2.133 -3.301 -10.947) 11.631 ======================= Grid point 92 (50/80) ======================= q-point: (-0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 5.778 12.828 -4.651) 14.818 1.639 ( 7.752 0.819 0.225) 7.798 1.667 ( 4.645 0.854 3.459) 5.854 1.826 ( -0.968 1.334 -0.962) 1.908 1.863 ( 2.854 6.745 -3.635) 8.176 1.918 ( 1.290 -5.575 -4.260) 7.133 2.064 ( 3.686 -0.232 1.043) 3.838 2.139 ( -3.740 -8.048 6.139) 10.791 2.259 ( 6.145 6.488 -3.693) 9.669 2.377 ( 7.882 8.543 -1.568) 11.729 2.449 ( -2.230 -1.301 -4.426) 5.124 2.502 ( -1.070 2.346 3.766) 4.564 2.537 ( 3.667 -8.771 -3.613) 10.170 2.635 ( -0.823 -3.900 -2.021) 4.469 2.737 ( 4.120 4.240 2.165) 6.296 2.839 ( 0.917 0.284 -0.757) 1.223 2.900 ( 1.971 -1.607 1.771) 3.099 2.977 ( 2.857 -3.694 -0.134) 4.672 3.010 ( -3.482 4.061 -3.915) 6.629 3.062 ( -0.213 -1.602 0.015) 1.616 3.262 ( -3.594 5.050 9.258) 11.141 3.335 ( -2.854 -1.048 7.959) 8.520 3.482 ( -3.920 1.337 6.287) 7.528 3.532 ( -4.936 -2.570 3.537) 6.594 3.707 ( -2.822 3.349 -3.539) 5.631 3.804 ( -1.342 -3.891 -5.654) 6.994 3.882 ( -1.135 -0.689 -1.299) 1.857 3.904 ( -1.173 -0.715 -0.227) 1.393 4.108 ( 2.987 6.917 5.704) 9.450 4.140 ( 1.959 1.444 -0.700) 2.533 4.196 ( -0.028 0.275 -2.743) 2.756 4.267 ( 3.710 -3.613 1.654) 5.436 4.306 ( -2.101 3.061 -3.792) 5.307 4.341 ( -1.121 -0.674 -3.726) 3.949 4.464 ( -3.247 5.637 3.527) 7.400 4.523 ( -2.958 3.442 1.079) 4.665 4.556 ( 2.053 1.877 -1.761) 3.292 4.669 ( 1.553 -6.047 -0.634) 6.275 4.703 ( 0.149 4.184 -0.003) 4.187 4.794 ( 1.365 -2.873 0.154) 3.185 4.864 ( 1.463 2.398 -0.654) 2.884 4.932 ( -2.332 0.828 -0.488) 2.523 5.024 ( 1.856 -3.245 -1.866) 4.178 5.085 ( -1.111 -4.332 -1.855) 4.841 5.316 ( -2.207 5.906 0.326) 6.314 5.364 ( 2.037 3.941 -5.644) 7.179 5.420 ( 4.008 -1.819 0.785) 4.471 5.458 ( 0.668 -5.250 -3.981) 6.622 5.603 ( -1.815 1.966 3.295) 4.244 5.703 ( -5.106 -6.842 1.443) 8.658 5.949 ( 1.257 0.665 1.978) 2.437 5.961 ( -0.434 0.390 1.718) 1.815 6.283 ( -2.015 2.513 0.689) 3.294 6.351 ( -0.922 -4.056 -0.121) 4.162 6.398 ( -0.025 3.063 2.589) 4.010 6.461 ( 0.076 -2.642 3.321) 4.245 6.708 ( -2.273 -0.402 1.798) 2.926 6.722 ( -0.870 -0.540 0.234) 1.051 6.779 ( 0.795 2.299 -0.919) 2.600 6.845 ( -1.296 -3.465 -1.691) 4.067 6.993 ( 1.926 4.771 -1.881) 5.478 7.063 ( 4.400 -1.180 -1.664) 4.850 7.131 ( 0.453 -0.905 -0.772) 1.273 7.160 ( 0.109 -3.465 -0.058) 3.467 7.364 ( 0.839 0.723 -1.237) 1.660 7.395 ( 1.343 -2.491 -1.751) 3.328 7.656 ( -0.476 1.615 -2.586) 3.086 7.681 ( -0.113 -0.741 -1.164) 1.385 7.781 ( 0.572 2.705 1.997) 3.411 7.830 ( 0.645 -1.013 0.942) 1.526 7.842 ( -1.009 0.430 -2.839) 3.044 7.849 ( 1.037 -1.359 0.343) 1.743 7.984 ( -1.707 2.275 3.957) 4.873 8.040 ( -1.252 -2.566 4.572) 5.390 8.284 ( 0.651 0.854 -0.245) 1.101 8.292 ( 1.667 -0.051 -0.066) 1.669 8.532 ( -1.307 1.082 0.865) 1.905 8.545 ( -0.828 -0.032 1.448) 1.669 8.666 ( -0.763 2.212 -1.994) 3.075 8.691 ( -0.500 -0.033 -1.707) 1.779 11.263 ( 1.458 19.016 1.018) 19.099 11.350 ( 1.033 15.743 -1.676) 15.866 11.591 ( 1.929 -12.937 1.657) 13.185 11.644 ( 1.425 -13.105 -1.191) 13.236 12.775 ( -0.927 14.055 -3.682) 14.559 13.056 ( 0.698 -12.258 3.607) 12.797 13.242 ( 10.517 4.394 2.945) 11.772 13.395 ( 8.470 -9.358 -6.173) 14.050 14.066 ( -11.648 11.744 14.415) 21.941 14.102 ( -10.131 8.325 12.700) 18.255 14.339 ( -15.161 3.063 -16.558) 22.659 14.372 ( -10.149 -0.474 -15.677) 18.681 15.151 ( -5.558 -7.641 9.837) 13.640 15.170 ( -5.560 -9.007 10.072) 14.611 15.611 ( 7.837 10.672 -4.705) 14.051 15.726 ( 6.173 7.397 -2.806) 10.035 15.844 ( 9.069 -0.987 -5.228) 10.514 15.987 ( 4.036 -6.370 -4.531) 8.798 16.049 ( 6.567 -0.556 3.438) 7.433 16.054 ( 4.768 -0.722 1.037) 4.932 17.115 ( 0.483 2.052 5.748) 6.122 17.205 ( -0.578 -6.135 4.375) 7.557 17.363 ( 1.289 1.900 -3.581) 4.254 17.404 ( 3.704 -1.959 -4.868) 6.423 17.642 ( -4.791 0.172 9.088) 10.275 17.731 ( -2.149 -8.232 8.977) 12.368 17.876 ( -2.914 8.319 -9.348) 12.848 18.023 ( -0.037 -5.833 -8.472) 10.286 ======================= Grid point 117 (51/80) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 7.421 0.000 23.238) 24.395 1.017 ( -7.905 0.000 25.228) 26.437 1.380 ( -3.639 0.000 -18.085) 18.447 1.385 ( -1.853 0.000 9.582) 9.759 1.527 ( 5.238 0.000 -4.402) 6.842 1.719 ( 1.669 0.000 -7.099) 7.293 1.940 ( 4.553 0.000 5.037) 6.790 2.049 ( -6.006 0.000 1.374) 6.161 2.087 ( -6.398 0.000 13.434) 14.880 2.185 ( 0.820 0.000 7.754) 7.797 2.209 ( -7.299 0.000 -0.159) 7.300 2.327 ( 5.013 0.000 -9.868) 11.068 2.329 ( 5.517 0.000 -5.571) 7.840 2.433 ( -2.321 0.000 -9.505) 9.784 2.651 ( -1.681 0.000 5.317) 5.577 2.840 ( 4.257 0.000 -13.967) 14.601 2.898 ( -0.108 0.000 3.278) 3.280 2.901 ( 3.295 0.000 3.738) 4.983 3.068 ( 2.639 0.000 2.172) 3.418 3.174 ( -9.779 0.000 -6.561) 11.776 3.211 ( 1.701 0.000 1.381) 2.191 3.293 ( 2.038 0.000 -6.689) 6.992 3.417 ( -3.067 0.000 2.958) 4.261 3.470 ( 2.422 0.000 -1.391) 2.793 3.580 ( -0.489 0.000 -0.658) 0.820 3.688 ( 0.131 0.000 -10.090) 10.091 3.765 ( 1.898 0.000 5.511) 5.828 3.808 ( 6.834 0.000 2.002) 7.121 3.877 ( -3.437 0.000 2.501) 4.250 3.915 ( 2.753 0.000 -3.034) 4.097 4.140 ( 2.527 0.000 1.408) 2.892 4.208 ( -2.424 0.000 -4.346) 4.976 4.218 ( -0.823 0.000 2.144) 2.297 4.250 ( -5.505 0.000 -3.105) 6.320 4.505 ( -2.258 0.000 -0.279) 2.275 4.512 ( 2.641 0.000 -0.134) 2.644 4.672 ( 5.687 0.000 0.446) 5.705 4.697 ( -7.233 0.000 0.205) 7.236 4.790 ( 6.851 0.000 -1.942) 7.121 4.805 ( -4.310 0.000 -2.085) 4.788 4.908 ( -4.166 0.000 5.227) 6.684 4.990 ( 3.139 0.000 -2.580) 4.063 5.211 ( 11.101 0.000 5.505) 12.391 5.272 ( -8.589 0.000 1.042) 8.652 5.488 ( -2.692 0.000 4.633) 5.359 5.536 ( 6.842 0.000 5.360) 8.692 5.589 ( 3.186 0.000 -0.099) 3.187 5.758 ( -3.454 0.000 -10.589) 11.138 5.812 ( -3.007 0.000 11.403) 11.793 5.976 ( 3.244 0.000 9.418) 9.961 6.005 ( 6.401 0.000 0.295) 6.408 6.035 ( -0.116 0.000 -6.644) 6.645 6.043 ( -2.333 0.000 -1.327) 2.684 6.208 ( -3.896 0.000 -7.734) 8.659 6.391 ( -8.642 0.000 -0.884) 8.687 6.394 ( 5.590 0.000 -1.256) 5.729 6.718 ( 10.259 0.000 2.600) 10.583 6.728 ( -10.063 0.000 1.446) 10.166 6.857 ( -2.461 0.000 1.031) 2.669 6.936 ( 2.291 0.000 -6.157) 6.570 7.125 ( -1.496 0.000 1.713) 2.275 7.128 ( 2.744 0.000 -1.269) 3.024 7.152 ( -1.205 0.000 0.896) 1.502 7.189 ( -1.163 0.000 -1.204) 1.674 7.215 ( -0.562 0.000 6.510) 6.535 7.321 ( 2.253 0.000 -4.268) 4.826 7.563 ( 1.171 0.000 1.795) 2.143 7.586 ( -2.794 0.000 -0.077) 2.795 7.797 ( 0.030 0.000 -1.317) 1.317 7.809 ( 1.806 0.000 -1.918) 2.634 7.857 ( 1.731 0.000 2.754) 3.253 7.913 ( 0.143 0.000 -2.923) 2.926 7.969 ( -1.612 0.000 -0.445) 1.672 7.979 ( -0.217 0.000 -1.389) 1.406 8.315 ( -2.548 0.000 2.240) 3.393 8.326 ( 2.846 0.000 0.902) 2.985 8.377 ( 0.899 0.000 2.269) 2.441 8.426 ( -1.788 0.000 -2.629) 3.179 8.712 ( 1.678 0.000 3.400) 3.792 8.773 ( -2.888 0.000 -2.875) 4.075 9.955 ( 0.293 0.000 1.065) 1.105 9.978 ( -0.250 0.000 -1.323) 1.346 11.978 ( -5.462 0.000 -1.248) 5.603 12.009 ( 3.943 0.000 -4.259) 5.805 12.683 ( -7.735 0.000 12.991) 15.119 12.818 ( 11.940 0.000 5.988) 13.357 12.920 ( -8.942 0.000 18.662) 20.694 13.226 ( 11.045 0.000 -5.834) 12.491 13.311 ( 9.787 0.000 -20.952) 23.125 13.393 ( -11.149 0.000 -15.510) 19.101 14.567 ( -5.752 0.000 26.533) 27.149 15.075 ( 10.290 0.000 -23.658) 25.799 15.343 ( -5.520 0.000 9.459) 10.952 15.365 ( 7.061 0.000 5.700) 9.074 15.396 ( 7.740 0.000 3.725) 8.590 15.422 ( -7.971 0.000 0.355) 7.979 15.671 ( -10.567 0.000 -1.549) 10.680 15.688 ( -12.577 0.000 -0.474) 12.586 15.717 ( 6.114 0.000 -7.106) 9.374 15.801 ( 5.695 0.000 -8.078) 9.884 17.157 ( -2.962 0.000 8.012) 8.542 17.252 ( 0.551 0.000 -3.663) 3.704 17.508 ( 5.282 0.000 14.693) 15.613 17.773 ( 2.045 0.000 -5.517) 5.884 17.850 ( -7.187 0.000 -2.725) 7.686 17.942 ( 3.359 0.000 -6.353) 7.186 18.530 ( 3.264 0.000 5.942) 6.780 18.630 ( -1.572 0.000 -4.510) 4.776 ======================= Grid point 118 (52/80) ======================= q-point: ( 0.17 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -4.617 0.000 -23.418) 23.869 1.164 ( -2.184 0.000 21.840) 21.948 1.243 ( 3.343 0.000 11.427) 11.906 1.433 ( 6.679 0.000 -3.681) 7.627 1.652 ( 6.839 0.000 2.013) 7.129 1.704 ( 4.493 0.000 -8.859) 9.934 1.952 ( 0.420 0.000 -3.716) 3.740 2.001 ( -12.616 0.000 10.890) 16.666 2.101 ( -7.983 0.000 6.063) 10.024 2.173 ( 4.684 0.000 2.018) 5.100 2.299 ( 3.280 0.000 -7.272) 7.978 2.341 ( 3.797 0.000 -7.339) 8.263 2.415 ( 12.934 0.000 -0.249) 12.936 2.441 ( 8.617 0.000 11.489) 14.361 2.620 ( -8.911 0.000 7.245) 11.485 2.775 ( 3.018 0.000 -13.595) 13.926 2.822 ( -9.733 0.000 -3.257) 10.263 2.865 ( -0.138 0.000 0.050) 0.147 3.110 ( 3.964 0.000 4.003) 5.633 3.242 ( 3.859 0.000 4.054) 5.597 3.266 ( 2.301 0.000 -7.598) 7.939 3.278 ( 4.118 0.000 2.752) 4.953 3.365 ( -4.062 0.000 3.695) 5.491 3.508 ( -8.750 0.000 -3.181) 9.310 3.537 ( 4.180 0.000 -2.931) 5.105 3.585 ( -2.608 0.000 3.626) 4.467 3.691 ( -4.946 0.000 -1.852) 5.282 3.799 ( -0.755 0.000 -9.528) 9.558 3.912 ( 1.486 0.000 -0.248) 1.506 4.003 ( 4.379 0.000 -3.566) 5.647 4.088 ( -3.150 0.000 -0.764) 3.242 4.200 ( -0.091 0.000 5.333) 5.334 4.204 ( 1.333 0.000 2.574) 2.898 4.268 ( -0.531 0.000 5.642) 5.667 4.434 ( -2.946 0.000 2.255) 3.710 4.467 ( -6.985 0.000 -2.587) 7.448 4.581 ( -4.482 0.000 -1.032) 4.600 4.707 ( -0.320 0.000 0.927) 0.980 4.836 ( 5.542 0.000 -0.592) 5.574 4.874 ( -1.116 0.000 1.123) 1.584 4.975 ( 9.503 0.000 2.429) 9.809 4.982 ( -4.985 0.000 -0.778) 5.046 5.068 ( -4.986 0.000 -6.816) 8.445 5.347 ( -6.920 0.000 -6.118) 9.237 5.437 ( -10.159 0.000 -2.132) 10.381 5.468 ( 7.791 0.000 4.773) 9.137 5.530 ( -8.846 0.000 -6.230) 10.820 5.637 ( -8.847 0.000 4.872) 10.099 5.840 ( -5.651 0.000 -6.339) 8.492 5.931 ( -6.514 0.000 -0.763) 6.559 5.974 ( 3.420 0.000 11.749) 12.236 6.041 ( 0.731 0.000 -0.446) 0.856 6.101 ( 2.478 0.000 -2.999) 3.890 6.194 ( 6.369 0.000 2.867) 6.984 6.325 ( 0.798 0.000 1.833) 1.999 6.486 ( 4.297 0.000 -0.405) 4.317 6.660 ( 0.252 0.000 -3.737) 3.746 6.843 ( 0.136 0.000 0.620) 0.635 6.947 ( 3.794 0.000 -3.379) 5.081 7.006 ( 8.769 0.000 4.045) 9.657 7.079 ( -0.666 0.000 0.357) 0.756 7.141 ( -2.373 0.000 -1.206) 2.663 7.190 ( 3.198 0.000 4.586) 5.591 7.207 ( 6.318 0.000 -1.567) 6.509 7.298 ( 3.278 0.000 4.396) 5.484 7.339 ( 4.533 0.000 -6.266) 7.734 7.506 ( -5.621 0.000 0.470) 5.640 7.606 ( 1.081 0.000 2.009) 2.281 7.792 ( -0.588 0.000 -1.566) 1.672 7.812 ( -0.533 0.000 -1.531) 1.621 7.842 ( -1.500 0.000 -3.217) 3.550 7.882 ( 0.590 0.000 0.457) 0.746 7.968 ( 0.452 0.000 2.373) 2.415 7.994 ( 1.128 0.000 0.287) 1.164 8.247 ( -5.223 0.000 0.667) 5.266 8.343 ( -0.789 0.000 -2.352) 2.481 8.377 ( -1.022 0.000 -0.388) 1.093 8.426 ( 0.615 0.000 3.085) 3.145 8.660 ( -5.688 0.000 -1.315) 5.838 8.734 ( -2.945 0.000 2.759) 4.035 9.969 ( 0.724 0.000 -1.213) 1.413 9.977 ( 0.640 0.000 1.097) 1.270 11.915 ( -2.356 0.000 3.288) 4.045 12.093 ( 6.787 0.000 0.471) 6.803 12.661 ( -5.143 0.000 6.722) 8.464 12.905 ( -11.816 0.000 17.069) 20.760 13.004 ( 12.715 0.000 -14.286) 19.125 13.085 ( -6.702 0.000 -9.915) 11.967 13.272 ( 8.964 0.000 -20.923) 22.763 13.539 ( 16.435 0.000 11.058) 19.809 14.555 ( -17.792 0.000 24.246) 30.074 14.692 ( -17.709 0.000 -27.654) 32.839 15.332 ( -2.113 0.000 1.958) 2.881 15.367 ( -1.472 0.000 7.825) 7.962 15.545 ( 7.504 0.000 -5.880) 9.533 15.604 ( 4.686 0.000 -1.482) 4.915 15.622 ( 9.779 0.000 -2.029) 9.987 15.644 ( -0.573 0.000 4.826) 4.860 15.862 ( 10.294 0.000 2.753) 10.656 15.926 ( 12.243 0.000 4.057) 12.898 17.202 ( 0.185 0.000 6.435) 6.437 17.254 ( 2.561 0.000 -1.715) 3.083 17.541 ( -7.932 0.000 -16.776) 18.557 17.669 ( -2.760 0.000 7.720) 8.198 17.838 ( 0.076 0.000 3.598) 3.599 17.950 ( 3.779 0.000 -0.913) 3.888 18.480 ( -6.686 0.000 -6.437) 9.282 18.534 ( -7.378 0.000 4.909) 8.862 ======================= Grid point 119 (53/80) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 17.249 0.000 -7.219) 18.698 1.314 ( -3.993 0.000 16.118) 16.605 1.370 ( 9.853 0.000 -8.011) 12.699 1.574 ( -0.077 0.000 11.525) 11.525 1.708 ( 5.326 0.000 -8.564) 10.085 1.809 ( -3.660 0.000 4.691) 5.950 1.836 ( -2.145 0.000 7.969) 8.252 1.909 ( -2.956 0.000 -2.721) 4.017 2.100 ( 4.097 0.000 6.811) 7.948 2.170 ( 1.393 0.000 -6.765) 6.907 2.279 ( -2.443 0.000 -0.330) 2.465 2.340 ( 0.510 0.000 -6.933) 6.952 2.471 ( -9.603 0.000 3.759) 10.313 2.577 ( -1.991 0.000 -7.153) 7.425 2.710 ( -3.613 0.000 -4.086) 5.454 2.750 ( 11.152 0.000 5.335) 12.363 2.782 ( 10.656 0.000 6.257) 12.357 2.882 ( -0.290 0.000 -0.544) 0.616 3.173 ( -6.755 0.000 -7.280) 9.931 3.201 ( 3.350 0.000 -4.400) 5.530 3.239 ( -1.196 0.000 1.544) 1.953 3.288 ( 1.389 0.000 -1.152) 1.805 3.356 ( 0.721 0.000 2.829) 2.919 3.391 ( -0.689 0.000 -3.639) 3.703 3.478 ( -9.106 0.000 -2.340) 9.402 3.593 ( -3.018 0.000 -2.225) 3.750 3.681 ( 2.402 0.000 10.523) 10.794 3.770 ( 5.100 0.000 -2.499) 5.679 3.916 ( 0.586 0.000 0.140) 0.603 3.970 ( 0.544 0.000 -5.282) 5.310 4.083 ( 0.954 0.000 1.013) 1.392 4.220 ( -0.554 0.000 0.416) 0.693 4.278 ( -4.106 0.000 -3.467) 5.374 4.282 ( -2.547 0.000 6.444) 6.929 4.332 ( 1.413 0.000 10.557) 10.651 4.479 ( -0.941 0.000 4.763) 4.855 4.502 ( -2.329 0.000 -1.964) 3.046 4.683 ( -2.239 0.000 -4.115) 4.685 4.784 ( -2.516 0.000 -6.102) 6.601 4.864 ( 0.185 0.000 -1.763) 1.773 4.893 ( -6.116 0.000 -2.801) 6.727 5.034 ( 4.575 0.000 7.900) 9.129 5.150 ( 5.454 0.000 -0.748) 5.505 5.166 ( -3.733 0.000 -8.994) 9.738 5.267 ( -6.470 0.000 -0.282) 6.476 5.348 ( -2.863 0.000 -5.133) 5.877 5.443 ( -9.306 0.000 2.074) 9.534 5.523 ( -1.859 0.000 -4.872) 5.215 5.808 ( 4.040 0.000 2.615) 4.813 5.874 ( -2.480 0.000 -1.427) 2.861 5.987 ( -5.000 0.000 -1.169) 5.135 6.040 ( -1.917 0.000 -2.326) 3.014 6.222 ( 7.504 0.000 9.194) 11.867 6.310 ( 5.481 0.000 -2.131) 5.881 6.367 ( 0.138 0.000 2.121) 2.125 6.547 ( 3.228 0.000 -1.864) 3.727 6.665 ( 1.789 0.000 0.725) 1.930 6.849 ( 1.839 0.000 -3.877) 4.291 6.993 ( 1.916 0.000 -0.358) 1.949 7.007 ( -3.616 0.000 1.814) 4.046 7.096 ( 0.446 0.000 -1.257) 1.334 7.129 ( 0.041 0.000 3.229) 3.230 7.312 ( 6.932 0.000 -6.492) 9.497 7.324 ( -1.740 0.000 4.286) 4.626 7.370 ( -1.409 0.000 0.929) 1.687 7.372 ( 5.294 0.000 -2.842) 6.009 7.496 ( 5.118 0.000 8.077) 9.562 7.626 ( 0.058 0.000 -1.150) 1.151 7.692 ( -4.355 0.000 -2.964) 5.268 7.771 ( -2.983 0.000 1.734) 3.450 7.873 ( 4.574 0.000 -0.953) 4.672 7.904 ( 1.342 0.000 -1.103) 1.738 8.006 ( -0.287 0.000 0.084) 0.299 8.019 ( 1.732 0.000 4.107) 4.457 8.147 ( -5.028 0.000 -0.674) 5.073 8.304 ( -0.283 0.000 -3.295) 3.307 8.345 ( -1.545 0.000 0.122) 1.550 8.450 ( -1.924 0.000 3.330) 3.846 8.551 ( -3.468 0.000 -1.571) 3.807 8.664 ( -4.802 0.000 -0.496) 4.828 9.981 ( 1.467 0.000 -0.852) 1.696 9.994 ( 0.017 0.000 0.792) 0.792 11.949 ( 0.187 0.000 7.385) 7.387 12.242 ( 4.103 0.000 3.286) 5.257 12.649 ( 3.747 0.000 -1.163) 3.923 12.835 ( -11.012 0.000 15.756) 19.223 12.948 ( -5.748 0.000 4.081) 7.050 13.071 ( 12.353 0.000 -19.163) 22.799 13.235 ( 8.882 0.000 -20.585) 22.420 13.813 ( -8.122 0.000 -9.822) 12.745 14.223 ( 6.068 0.000 -6.043) 8.563 14.454 ( -16.751 0.000 22.510) 28.058 15.326 ( -2.003 0.000 4.150) 4.608 15.408 ( -4.571 0.000 12.019) 12.859 15.568 ( 4.654 0.000 -10.391) 11.386 15.684 ( 4.504 0.000 -8.928) 9.999 15.718 ( 4.611 0.000 3.414) 5.737 15.744 ( 10.331 0.000 -2.158) 10.554 16.069 ( 1.639 0.000 3.013) 3.430 16.122 ( 1.624 0.000 3.020) 3.430 17.253 ( -0.900 0.000 -13.718) 13.748 17.271 ( 0.004 0.000 4.656) 4.656 17.333 ( 4.250 0.000 1.577) 4.533 17.572 ( -8.975 0.000 0.850) 9.015 17.916 ( 4.872 0.000 2.121) 5.313 18.050 ( 2.996 0.000 2.813) 4.109 18.331 ( -2.034 0.000 -3.871) 4.373 18.398 ( -10.309 0.000 4.294) 11.167 ======================= Grid point 120 (54/80) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -14.568 0.000 12.749) 19.358 1.402 ( -13.366 0.000 4.608) 14.138 1.463 ( 26.618 0.000 4.590) 27.011 1.543 ( 4.332 0.000 -2.408) 4.956 1.710 ( -11.502 0.000 -6.052) 12.997 1.757 ( 6.444 0.000 -4.529) 7.876 1.917 ( 2.904 0.000 4.621) 5.458 1.987 ( 0.667 0.000 15.739) 15.753 2.005 ( -12.127 0.000 -4.004) 12.770 2.145 ( -8.174 0.000 -0.832) 8.216 2.270 ( 1.721 0.000 0.815) 1.905 2.282 ( 8.581 0.000 -6.071) 10.511 2.474 ( 2.632 0.000 1.551) 3.055 2.522 ( 3.331 0.000 -5.732) 6.630 2.594 ( -1.634 0.000 1.688) 2.349 2.710 ( -6.092 0.000 -7.629) 9.762 2.909 ( -0.652 0.000 7.009) 7.039 3.015 ( 7.160 0.000 3.064) 7.788 3.140 ( -4.074 0.000 -8.828) 9.722 3.145 ( 1.514 0.000 -3.011) 3.370 3.232 ( -2.237 0.000 4.548) 5.068 3.277 ( -5.807 0.000 -0.762) 5.857 3.308 ( -1.315 0.000 -4.862) 5.037 3.340 ( 8.389 0.000 -3.948) 9.272 3.467 ( 6.467 0.000 1.670) 6.679 3.516 ( -2.263 0.000 -4.314) 4.871 3.764 ( -1.422 0.000 4.961) 5.161 3.864 ( 5.474 0.000 -4.256) 6.934 3.946 ( 0.007 0.000 1.170) 1.170 3.963 ( 2.338 0.000 -3.196) 3.960 4.165 ( 5.433 0.000 7.708) 9.430 4.242 ( -3.472 0.000 5.542) 6.540 4.265 ( -5.647 0.000 4.204) 7.040 4.284 ( 4.705 0.000 1.694) 5.000 4.363 ( -4.408 0.000 -4.932) 6.615 4.404 ( -4.075 0.000 2.466) 4.763 4.481 ( 3.661 0.000 -0.441) 3.687 4.583 ( -1.589 0.000 -6.329) 6.525 4.747 ( 1.993 0.000 1.406) 2.439 4.817 ( -2.932 0.000 -3.712) 4.731 4.880 ( 1.353 0.000 5.109) 5.285 5.002 ( -2.517 0.000 -8.331) 8.702 5.167 ( -4.374 0.000 1.844) 4.746 5.216 ( 3.737 0.000 -2.671) 4.593 5.241 ( 5.798 0.000 5.412) 7.932 5.281 ( -0.136 0.000 -2.699) 2.702 5.326 ( -4.171 0.000 3.420) 5.394 5.435 ( -2.601 0.000 -5.275) 5.881 5.810 ( -3.188 0.000 1.265) 3.430 5.855 ( -1.703 0.000 -1.907) 2.557 5.938 ( 1.459 0.000 3.518) 3.808 5.983 ( -2.154 0.000 -1.186) 2.459 6.336 ( -2.316 0.000 0.825) 2.459 6.366 ( 2.895 0.000 -2.416) 3.771 6.440 ( 3.490 0.000 6.558) 7.428 6.554 ( 0.545 0.000 -5.190) 5.218 6.726 ( 2.331 0.000 2.954) 3.763 6.821 ( -0.095 0.000 -7.001) 7.002 6.967 ( -0.554 0.000 1.197) 1.319 6.982 ( -0.383 0.000 -0.761) 0.851 7.157 ( -3.525 0.000 8.110) 8.843 7.174 ( 5.410 0.000 1.745) 5.685 7.200 ( -7.595 0.000 -0.607) 7.620 7.324 ( 3.520 0.000 -7.938) 8.683 7.416 ( -1.762 0.000 3.403) 3.832 7.482 ( 6.675 0.000 -3.348) 7.468 7.535 ( -3.772 0.000 3.092) 4.878 7.585 ( -1.101 0.000 -2.360) 2.604 7.719 ( 5.937 0.000 1.426) 6.106 7.734 ( -2.995 0.000 0.823) 3.106 7.910 ( -0.322 0.000 0.418) 0.528 7.946 ( 1.861 0.000 -2.416) 3.049 8.006 ( 2.065 0.000 1.973) 2.857 8.046 ( -2.944 0.000 -2.121) 3.628 8.122 ( 2.998 0.000 5.306) 6.094 8.222 ( -3.366 0.000 -4.817) 5.876 8.384 ( 4.218 0.000 1.222) 4.391 8.397 ( -4.336 0.000 0.363) 4.352 8.535 ( 1.123 0.000 1.756) 2.085 8.574 ( -2.944 0.000 -1.810) 3.456 9.991 ( -0.934 0.000 0.433) 1.029 10.001 ( 1.129 0.000 -0.568) 1.264 12.059 ( 2.172 0.000 9.882) 10.118 12.231 ( -1.916 0.000 -6.400) 6.680 12.750 ( -7.189 0.000 14.582) 16.258 12.845 ( -7.567 0.000 18.410) 19.905 13.021 ( 15.363 0.000 5.293) 16.249 13.060 ( 0.249 0.000 -18.019) 18.021 13.204 ( 9.148 0.000 -19.351) 21.405 13.314 ( -9.236 0.000 -22.222) 24.065 14.353 ( -15.127 0.000 16.536) 22.411 14.549 ( 19.831 0.000 -3.194) 20.086 15.334 ( -4.038 0.000 8.980) 9.846 15.441 ( -5.088 0.000 13.289) 14.229 15.515 ( -0.245 0.000 -10.054) 10.057 15.651 ( 1.738 0.000 -9.159) 9.322 15.878 ( 8.915 0.000 3.293) 9.504 15.949 ( 10.725 0.000 2.577) 11.031 15.963 ( -7.108 0.000 -4.593) 8.463 16.029 ( -8.772 0.000 -4.703) 9.953 17.209 ( -11.411 0.000 2.295) 11.639 17.253 ( 6.891 0.000 -2.438) 7.310 17.445 ( -4.557 0.000 1.296) 4.738 17.453 ( 5.586 0.000 0.508) 5.609 18.029 ( 4.729 0.000 1.410) 4.935 18.054 ( -3.121 0.000 -1.180) 3.337 18.291 ( -4.543 0.000 3.700) 5.859 18.338 ( 4.784 0.000 -1.328) 4.965 ======================= Grid point 121 (55/80) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -28.388 0.000 -4.091) 28.681 1.092 ( -17.227 0.000 16.367) 23.763 1.397 ( -18.216 0.000 16.944) 24.878 1.633 ( 8.506 0.000 -13.202) 15.705 1.747 ( -1.528 0.000 -6.949) 7.115 1.860 ( -3.036 0.000 2.929) 4.218 1.919 ( 15.466 0.000 -2.134) 15.612 1.955 ( -7.160 0.000 -2.686) 7.647 2.020 ( -0.453 0.000 7.919) 7.932 2.090 ( -6.851 0.000 9.680) 11.859 2.273 ( -1.080 0.000 0.885) 1.396 2.339 ( 4.246 0.000 -4.764) 6.381 2.487 ( 2.141 0.000 -3.392) 4.012 2.513 ( 4.725 0.000 -1.392) 4.926 2.687 ( 2.606 0.000 1.222) 2.879 2.773 ( 3.275 0.000 4.809) 5.818 2.910 ( -2.008 0.000 -4.191) 4.647 2.916 ( -4.274 0.000 -4.364) 6.108 3.099 ( 4.094 0.000 -2.327) 4.709 3.101 ( -1.291 0.000 -0.228) 1.311 3.263 ( 2.461 0.000 0.976) 2.648 3.271 ( -1.829 0.000 -0.276) 1.850 3.308 ( 4.210 0.000 3.620) 5.552 3.405 ( 0.552 0.000 -0.846) 1.010 3.505 ( 7.861 0.000 -6.272) 10.056 3.577 ( 3.741 0.000 0.320) 3.755 3.775 ( -0.322 0.000 1.244) 1.285 3.872 ( 2.210 0.000 -8.453) 8.737 3.908 ( -2.449 0.000 -2.264) 3.335 3.954 ( -1.159 0.000 -3.195) 3.399 4.107 ( -4.121 0.000 -0.831) 4.204 4.220 ( -0.309 0.000 3.949) 3.962 4.270 ( -4.623 0.000 -1.440) 4.842 4.365 ( 3.737 0.000 -0.603) 3.786 4.378 ( -2.763 0.000 5.245) 5.928 4.444 ( 6.643 0.000 4.475) 8.009 4.557 ( 4.440 0.000 -6.384) 7.776 4.604 ( 7.055 0.000 5.716) 9.081 4.706 ( -2.578 0.000 -3.320) 4.203 4.804 ( 1.412 0.000 2.983) 3.301 4.922 ( 0.075 0.000 -3.163) 3.164 4.948 ( -2.457 0.000 9.407) 9.723 5.157 ( 1.640 0.000 5.501) 5.740 5.183 ( -5.405 0.000 -5.078) 7.416 5.235 ( -3.025 0.000 0.042) 3.026 5.302 ( 4.588 0.000 -6.589) 8.028 5.391 ( 3.929 0.000 5.772) 6.982 5.443 ( 3.553 0.000 4.934) 6.080 5.804 ( -1.943 0.000 6.145) 6.445 5.861 ( 3.110 0.000 1.238) 3.347 5.934 ( -1.428 0.000 0.588) 1.544 5.995 ( 1.062 0.000 2.375) 2.602 6.274 ( -5.121 0.000 1.886) 5.458 6.359 ( -1.551 0.000 -3.840) 4.142 6.458 ( -2.186 0.000 -8.828) 9.095 6.498 ( -2.180 0.000 3.230) 3.897 6.726 ( -2.382 0.000 -5.164) 5.687 6.793 ( 2.692 0.000 0.893) 2.836 7.000 ( 0.221 0.000 -0.341) 0.406 7.021 ( 4.417 0.000 0.354) 4.432 7.058 ( -5.218 0.000 2.572) 5.818 7.160 ( -5.061 0.000 8.231) 9.662 7.229 ( 0.031 0.000 -4.640) 4.640 7.337 ( -6.251 0.000 1.144) 6.355 7.348 ( 4.273 0.000 -1.076) 4.406 7.454 ( -1.626 0.000 -6.269) 6.477 7.566 ( 0.872 0.000 4.344) 4.430 7.629 ( -2.285 0.000 0.759) 2.408 7.660 ( 3.221 0.000 -5.314) 6.214 7.818 ( 3.978 0.000 -1.788) 4.362 7.871 ( -3.311 0.000 -1.340) 3.571 7.908 ( -1.514 0.000 -1.385) 2.052 8.004 ( -0.285 0.000 0.202) 0.349 8.111 ( -2.804 0.000 -4.629) 5.412 8.116 ( 5.750 0.000 1.573) 5.961 8.230 ( 2.000 0.000 4.651) 5.062 8.345 ( -0.529 0.000 0.149) 0.549 8.496 ( 5.535 0.000 0.210) 5.539 8.520 ( -1.173 0.000 -0.209) 1.192 8.614 ( 4.110 0.000 4.687) 6.234 9.970 ( -1.493 0.000 0.310) 1.525 10.008 ( 0.261 0.000 -0.667) 0.716 12.114 ( -1.252 0.000 -9.111) 9.196 12.213 ( 3.410 0.000 8.287) 8.961 12.646 ( -17.792 0.000 -9.401) 20.123 12.729 ( -9.903 0.000 16.061) 18.869 12.866 ( -8.108 0.000 17.770) 19.532 13.185 ( 9.232 0.000 -20.447) 22.435 13.236 ( 13.551 0.000 -19.564) 23.799 13.517 ( 21.527 0.000 14.920) 26.192 14.177 ( -14.702 0.000 4.925) 15.505 14.818 ( 18.132 0.000 -14.441) 23.180 15.346 ( -5.858 0.000 12.175) 13.511 15.368 ( -6.175 0.000 -3.291) 6.997 15.474 ( -5.273 0.000 12.834) 13.875 15.556 ( -5.323 0.000 -4.706) 7.105 15.798 ( -3.971 0.000 -6.562) 7.670 15.848 ( -0.855 0.000 -8.058) 8.103 16.083 ( 7.315 0.000 1.314) 7.432 16.159 ( 6.272 0.000 0.345) 6.281 16.994 ( -13.364 0.000 11.699) 17.761 17.330 ( 1.440 0.000 -1.524) 2.096 17.361 ( -4.714 0.000 -1.044) 4.828 17.563 ( 6.190 0.000 1.001) 6.270 17.974 ( -2.333 0.000 -3.554) 4.251 18.094 ( 0.694 0.000 -1.030) 1.242 18.263 ( -1.891 0.000 3.203) 3.720 18.463 ( 9.689 0.000 -2.394) 9.980 ======================= Grid point 122 (56/80) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -5.021 0.000 19.515) 20.151 0.984 ( -14.087 0.000 23.016) 26.984 1.326 ( -12.549 0.000 25.193) 28.145 1.575 ( 2.605 0.000 -14.964) 15.189 1.579 ( -3.753 0.000 -11.078) 11.697 1.798 ( -2.972 0.000 -6.366) 7.026 1.890 ( 0.322 0.000 1.566) 1.599 2.044 ( -4.097 0.000 10.540) 11.309 2.076 ( -1.927 0.000 6.789) 7.058 2.139 ( 4.086 0.000 -0.842) 4.172 2.223 ( 1.247 0.000 2.366) 2.675 2.348 ( 3.016 0.000 -8.646) 9.157 2.468 ( -12.306 0.000 -1.607) 12.411 2.546 ( 1.340 0.000 2.775) 3.082 2.633 ( -5.469 0.000 -0.392) 5.483 2.759 ( 7.204 0.000 -3.138) 7.857 2.836 ( 3.017 0.000 -6.878) 7.511 2.926 ( 2.072 0.000 -8.585) 8.832 3.097 ( -1.799 0.000 1.881) 2.603 3.205 ( -3.142 0.000 0.597) 3.198 3.260 ( 6.202 0.000 4.195) 7.488 3.313 ( 2.040 0.000 0.457) 2.091 3.387 ( 1.363 0.000 -1.694) 2.174 3.449 ( 2.829 0.000 -2.476) 3.760 3.603 ( 5.767 0.000 3.762) 6.886 3.657 ( 4.998 0.000 1.532) 5.228 3.712 ( -6.019 0.000 -11.390) 12.883 3.758 ( 2.209 0.000 -8.902) 9.172 3.885 ( -2.486 0.000 7.238) 7.653 3.915 ( 0.806 0.000 -2.856) 2.967 4.103 ( 1.434 0.000 -0.134) 1.440 4.226 ( 0.627 0.000 -0.362) 0.724 4.275 ( -4.197 0.000 0.404) 4.217 4.363 ( -0.214 0.000 -3.583) 3.590 4.426 ( 9.618 0.000 2.874) 10.038 4.483 ( -1.452 0.000 -1.426) 2.036 4.583 ( 4.298 0.000 -4.767) 6.418 4.716 ( 3.503 0.000 0.304) 3.516 4.786 ( -0.388 0.000 5.467) 5.480 4.845 ( 0.635 0.000 2.445) 2.526 4.963 ( 3.300 0.000 1.769) 3.744 4.998 ( -2.769 0.000 -2.946) 4.043 5.062 ( -3.646 0.000 -2.281) 4.301 5.130 ( 4.381 0.000 12.732) 13.464 5.355 ( 6.006 0.000 13.320) 14.611 5.384 ( 6.287 0.000 2.166) 6.650 5.512 ( -0.436 0.000 -0.082) 0.444 5.629 ( 11.663 0.000 7.755) 14.005 5.789 ( 0.604 0.000 -0.742) 0.957 5.923 ( 1.291 0.000 -2.933) 3.205 5.973 ( -2.465 0.000 6.042) 6.526 6.052 ( 2.803 0.000 2.763) 3.936 6.195 ( -6.364 0.000 -9.589) 11.509 6.219 ( -0.504 0.000 1.863) 1.930 6.371 ( -0.807 0.000 -3.356) 3.452 6.464 ( -3.248 0.000 2.531) 4.118 6.644 ( -1.131 0.000 -2.461) 2.708 6.857 ( 3.438 0.000 -1.114) 3.614 6.917 ( -4.396 0.000 0.118) 4.398 7.095 ( 1.042 0.000 3.712) 3.855 7.099 ( -0.027 0.000 -6.031) 6.031 7.117 ( -4.127 0.000 -3.467) 5.390 7.148 ( -2.813 0.000 5.765) 6.414 7.242 ( -5.503 0.000 2.620) 6.095 7.294 ( -9.152 0.000 -7.311) 11.713 7.352 ( -2.353 0.000 -0.776) 2.477 7.532 ( 1.396 0.000 -2.253) 2.650 7.607 ( -0.383 0.000 2.079) 2.114 7.764 ( 4.817 0.000 1.481) 5.040 7.813 ( -1.004 0.000 -0.455) 1.102 7.821 ( -0.184 0.000 -2.700) 2.706 7.902 ( 1.817 0.000 -1.460) 2.331 8.001 ( -0.662 0.000 -0.382) 0.764 8.029 ( -1.554 0.000 -3.603) 3.924 8.237 ( 4.990 0.000 1.533) 5.220 8.288 ( 0.931 0.000 3.176) 3.310 8.363 ( 0.176 0.000 1.263) 1.275 8.477 ( -1.037 0.000 -2.237) 2.466 8.620 ( 4.543 0.000 2.503) 5.187 8.760 ( 5.877 0.000 0.849) 5.938 9.951 ( -0.818 0.000 0.696) 1.074 9.998 ( -0.371 0.000 -1.038) 1.103 12.024 ( 0.911 0.000 -7.620) 7.675 12.159 ( -9.162 0.000 -6.607) 11.296 12.532 ( 3.615 0.000 14.787) 15.223 12.703 ( -9.099 0.000 15.139) 17.663 12.894 ( -7.934 0.000 18.248) 19.898 13.169 ( 8.966 0.000 -17.109) 19.316 13.303 ( 13.266 0.000 -20.450) 24.376 13.756 ( -10.645 0.000 -8.725) 13.764 14.199 ( 12.600 0.000 22.592) 25.868 14.984 ( 17.553 0.000 -19.267) 26.064 15.286 ( -2.115 0.000 3.988) 4.515 15.351 ( -6.603 0.000 12.533) 14.166 15.383 ( -8.786 0.000 1.893) 8.988 15.486 ( -5.655 0.000 9.915) 11.414 15.718 ( 2.980 0.000 -9.177) 9.648 15.798 ( 3.615 0.000 -8.856) 9.565 15.981 ( -14.222 0.000 -9.456) 17.078 16.069 ( -10.532 0.000 -9.205) 13.987 17.085 ( -0.891 0.000 21.727) 21.745 17.297 ( -0.846 0.000 -3.874) 3.966 17.305 ( 1.504 0.000 2.538) 2.950 17.696 ( 4.770 0.000 3.018) 5.645 17.921 ( 2.655 0.000 -4.540) 5.260 18.024 ( -3.759 0.000 -6.332) 7.364 18.339 ( 4.913 0.000 8.374) 9.709 18.610 ( 7.104 0.000 -3.041) 7.727 ======================= Grid point 123 (57/80) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -2.919 -3.375 22.805) 23.238 1.119 ( 10.725 6.466 21.340) 24.743 1.277 ( 3.686 -5.379 -18.118) 19.256 1.509 ( -5.407 6.741 -10.263) 13.416 1.668 ( -4.425 12.223 8.976) 15.797 1.824 ( 0.562 6.343 -5.718) 8.559 1.926 ( -0.353 -1.699 6.864) 7.080 2.062 ( -4.606 1.327 -1.119) 4.923 2.103 ( -1.604 4.348 4.162) 6.229 2.227 ( 0.949 4.172 5.196) 6.731 2.266 ( 2.132 3.125 0.465) 3.811 2.349 ( -0.665 6.721 2.753) 7.293 2.445 ( 3.099 4.310 -9.572) 10.945 2.490 ( -2.342 6.606 -6.541) 9.587 2.688 ( -3.060 3.059 6.350) 7.685 2.845 ( 5.420 -1.069 -5.439) 7.752 2.879 ( 1.418 0.005 4.677) 4.887 2.934 ( -3.478 1.917 -3.084) 5.028 3.036 ( 6.512 -0.846 -0.167) 6.569 3.115 ( -5.370 -2.996 -5.085) 7.979 3.304 ( -1.460 3.923 -0.330) 4.199 3.321 ( -0.658 1.655 -0.156) 1.788 3.456 ( -4.602 2.382 1.731) 5.464 3.481 ( 0.967 2.551 -3.334) 4.308 3.536 ( 2.571 -1.687 -1.241) 3.316 3.631 ( 3.340 -0.991 -6.831) 7.668 3.792 ( 2.419 1.779 2.888) 4.166 3.851 ( 2.363 2.050 -1.253) 3.370 3.901 ( -0.026 2.290 3.403) 4.102 3.955 ( 0.594 2.340 -2.861) 3.744 4.148 ( -0.056 0.151 2.954) 2.958 4.176 ( -0.605 -1.439 0.395) 1.610 4.207 ( -3.833 -3.103 -1.983) 5.315 4.260 ( -1.401 2.514 -3.722) 4.705 4.479 ( -2.466 -2.021 0.687) 3.261 4.508 ( 4.410 -0.673 -0.617) 4.504 4.701 ( 5.155 1.686 0.842) 5.489 4.708 ( -5.505 0.908 0.158) 5.581 4.765 ( 4.433 -2.266 -0.115) 4.980 4.780 ( -5.792 -1.702 -1.974) 6.352 4.901 ( -2.224 0.017 4.161) 4.718 4.983 ( 2.088 -0.864 -2.036) 3.042 5.174 ( 7.186 -5.603 3.574) 9.788 5.223 ( -1.217 -3.898 2.209) 4.643 5.305 ( 2.845 -16.897 1.613) 17.211 5.358 ( -3.505 -6.033 -1.416) 7.119 5.650 ( -4.011 3.180 6.133) 7.989 5.769 ( 3.738 -2.081 -5.177) 6.716 5.826 ( 0.053 -0.873 9.025) 9.067 5.908 ( 1.246 -3.648 3.329) 5.094 6.009 ( 2.728 -1.223 -0.440) 3.022 6.017 ( -4.831 0.968 1.289) 5.093 6.111 ( 1.372 5.331 1.134) 5.620 6.220 ( -2.258 1.445 -5.951) 6.527 6.370 ( -4.604 1.534 0.211) 4.857 6.417 ( 6.007 0.496 -4.664) 7.621 6.705 ( 2.030 -0.582 2.911) 3.596 6.771 ( -0.624 0.808 -3.101) 3.265 6.865 ( -1.903 -0.188 0.089) 1.915 6.899 ( -2.020 -1.511 -2.955) 3.885 7.124 ( 0.046 -1.208 1.037) 1.592 7.144 ( 2.243 -1.425 -1.035) 2.851 7.184 ( -0.291 1.405 3.429) 3.717 7.202 ( -1.326 2.475 1.157) 3.037 7.242 ( -1.478 3.100 0.597) 3.486 7.313 ( 2.603 -0.708 -4.037) 4.855 7.597 ( 1.548 3.020 1.308) 3.637 7.614 ( -3.232 2.127 -0.075) 3.870 7.786 ( 1.355 -1.573 -0.164) 2.082 7.792 ( 0.658 -0.687 -1.167) 1.506 7.851 ( 0.443 0.230 1.330) 1.421 7.895 ( 0.461 -0.963 -2.078) 2.337 7.986 ( -0.844 0.663 -1.320) 1.702 7.993 ( -0.278 1.324 -1.806) 2.256 8.280 ( -1.045 -2.590 3.729) 4.659 8.318 ( 0.898 -0.563 -0.160) 1.072 8.403 ( 0.751 2.223 2.161) 3.190 8.446 ( -1.287 1.789 -2.419) 3.273 8.691 ( 1.747 -1.600 1.992) 3.095 8.712 ( -2.611 -4.166 0.119) 4.918 10.091 ( -0.723 12.803 2.153) 13.003 10.150 ( 0.875 14.537 -4.202) 15.157 11.984 ( -3.784 0.434 -1.256) 4.010 12.007 ( 2.436 -0.258 -3.587) 4.344 12.708 ( 5.233 -4.202 16.402) 17.722 12.798 ( -6.302 8.063 11.365) 15.293 13.077 ( 0.105 9.456 -2.746) 9.847 13.157 ( -2.496 -5.069 -16.035) 17.002 13.336 ( 5.550 10.129 4.538) 12.409 13.625 ( 2.283 14.425 -17.510) 22.801 14.364 ( -6.688 -15.924 21.969) 27.946 14.786 ( 9.910 -21.437 -20.891) 31.531 15.356 ( 6.325 1.181 9.556) 11.520 15.411 ( 8.449 3.546 8.514) 12.507 15.501 ( -5.020 7.131 -2.684) 9.124 15.568 ( -10.904 5.240 -5.673) 13.362 15.664 ( -6.120 1.619 4.163) 7.577 15.726 ( -7.371 6.845 10.530) 14.563 15.849 ( -0.028 9.105 -10.952) 14.242 15.944 ( 3.815 10.615 -10.608) 15.484 17.171 ( -2.390 1.430 6.100) 6.706 17.246 ( 0.606 -0.597 -2.929) 3.050 17.498 ( 5.684 -0.758 12.812) 14.037 17.710 ( 1.938 -6.058 -2.417) 6.804 17.803 ( -8.801 -4.286 -5.379) 11.170 17.848 ( 5.857 -8.717 -4.226) 11.321 18.402 ( 4.373 -9.464 7.140) 12.636 18.516 ( -2.466 -10.161 -4.865) 11.532 ======================= Grid point 124 (58/80) ======================= q-point: ( 0.17 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 1.719 -2.183 13.078) 13.370 1.094 ( -1.196 1.983 -18.645) 18.788 1.285 ( 5.440 -4.671 -15.788) 17.340 1.486 ( 4.599 8.964 11.293) 15.134 1.699 ( -1.830 4.550 7.696) 9.126 1.793 ( 0.290 5.035 1.727) 5.331 1.959 ( -5.586 -2.388 5.940) 8.497 2.026 ( 1.048 5.651 -4.596) 7.359 2.116 ( -1.730 5.434 8.103) 9.909 2.211 ( -2.217 -0.267 -11.016) 11.240 2.370 ( 3.409 0.680 4.729) 5.869 2.393 ( 1.357 8.007 0.708) 8.152 2.417 ( 5.441 2.758 -4.012) 7.301 2.532 ( 9.731 6.336 4.040) 12.295 2.640 ( -7.469 2.762 6.509) 10.284 2.811 ( -4.474 0.116 -3.496) 5.679 2.833 ( -2.119 3.424 -10.210) 10.976 2.909 ( 2.066 3.880 4.122) 6.026 3.066 ( 5.061 -2.957 1.423) 6.032 3.179 ( 1.012 -3.199 -0.682) 3.424 3.298 ( 0.862 4.676 1.065) 4.872 3.364 ( 1.853 2.193 1.138) 3.088 3.424 ( -0.769 2.102 7.275) 7.611 3.489 ( 0.537 2.584 -0.905) 2.790 3.529 ( -2.493 -1.223 -4.588) 5.363 3.593 ( 0.048 2.246 -4.015) 4.600 3.678 ( -5.632 0.761 -3.874) 6.878 3.829 ( -2.961 1.222 -4.351) 5.403 3.923 ( 2.079 0.955 -1.150) 2.561 4.017 ( 3.368 1.156 -2.662) 4.446 4.114 ( -3.155 1.852 1.826) 4.089 4.161 ( -1.609 -3.312 2.373) 4.380 4.217 ( 0.280 0.516 0.523) 0.786 4.263 ( 1.803 0.297 7.466) 7.686 4.390 ( -6.223 -2.477 -0.312) 6.705 4.503 ( -1.683 1.517 -2.493) 3.369 4.601 ( -4.618 1.933 -0.639) 5.047 4.706 ( -0.636 -0.162 0.660) 0.930 4.811 ( 3.131 -1.877 0.105) 3.651 4.871 ( 3.155 -0.772 2.510) 4.105 4.930 ( -0.278 -1.704 1.518) 2.299 5.009 ( 3.996 0.703 0.198) 4.062 5.042 ( -6.178 -3.312 -6.855) 9.804 5.238 ( -3.588 -8.339 -5.315) 10.519 5.310 ( 0.633 -12.625 -1.548) 12.735 5.419 ( 3.216 -3.179 2.767) 5.301 5.508 ( -11.331 1.090 2.981) 11.767 5.668 ( -9.645 1.430 -1.203) 9.824 5.868 ( -2.389 -0.911 -3.506) 4.339 5.873 ( -0.086 -4.585 0.378) 4.601 5.913 ( -4.188 -1.112 2.723) 5.118 6.091 ( 2.469 2.617 0.230) 3.606 6.185 ( 3.097 6.996 0.983) 7.714 6.254 ( 6.042 3.798 1.271) 7.249 6.330 ( 0.489 0.845 0.781) 1.251 6.491 ( 4.577 -0.082 -2.218) 5.087 6.688 ( -1.216 2.262 -2.225) 3.398 6.774 ( 0.356 -4.279 0.146) 4.296 6.869 ( 2.713 -3.667 1.597) 4.832 6.972 ( 3.923 -2.756 2.562) 5.435 7.115 ( -0.912 -0.612 -1.164) 1.600 7.136 ( -0.518 -2.233 -1.742) 2.879 7.213 ( 1.268 2.109 1.902) 3.110 7.254 ( 5.718 3.319 0.710) 6.649 7.283 ( 2.935 -0.825 2.908) 4.214 7.333 ( 3.765 -0.847 -5.177) 6.457 7.526 ( -5.111 1.515 1.145) 5.452 7.643 ( 0.543 3.252 1.831) 3.771 7.779 ( -2.057 -1.234 -1.483) 2.820 7.803 ( 2.783 -0.103 -2.154) 3.521 7.849 ( -2.748 -0.153 -0.760) 2.855 7.882 ( 2.093 0.832 -0.651) 2.345 7.967 ( -0.001 0.770 1.241) 1.461 8.008 ( 0.904 0.347 1.001) 1.392 8.238 ( -4.483 -0.722 1.078) 4.667 8.331 ( 0.092 -1.180 -1.514) 1.922 8.399 ( -1.152 2.140 -0.961) 2.613 8.440 ( 0.148 1.613 2.605) 3.068 8.633 ( -4.618 -1.993 -0.225) 5.034 8.715 ( -1.493 -1.381 1.236) 2.380 10.091 ( -1.121 12.202 1.782) 12.383 10.144 ( 1.537 14.170 -2.026) 14.396 11.908 ( -2.962 -0.606 2.150) 3.710 12.099 ( 6.681 0.359 1.075) 6.776 12.716 ( -4.323 2.334 -4.479) 6.648 12.883 ( -4.660 -3.681 9.052) 10.826 12.958 ( -7.595 2.262 6.529) 10.268 13.132 ( 10.833 8.932 -11.839) 18.366 13.519 ( 9.008 11.021 -13.800) 19.826 13.603 ( 10.335 11.422 5.713) 16.429 14.327 ( -14.686 -16.368 14.063) 26.103 14.604 ( -8.912 -10.742 -19.029) 23.599 15.324 ( -0.817 -3.542 -6.008) 7.022 15.342 ( -0.873 -1.523 -3.352) 3.783 15.553 ( -1.378 3.636 10.425) 11.126 15.618 ( -6.814 9.998 10.110) 15.767 15.739 ( 9.617 5.621 1.950) 11.308 15.844 ( 6.675 9.063 0.863) 11.288 15.904 ( 9.536 4.396 4.388) 11.380 15.965 ( 8.141 4.162 -1.020) 9.199 17.205 ( 0.401 0.278 4.476) 4.502 17.253 ( 2.301 0.006 -0.839) 2.449 17.486 ( -10.351 -5.234 -14.807) 18.809 17.632 ( -2.488 -3.633 4.429) 6.245 17.749 ( 1.040 -8.441 1.669) 8.667 17.926 ( 5.958 -1.948 0.329) 6.277 18.356 ( -6.338 -10.369 -5.955) 13.533 18.464 ( -4.053 -6.076 3.509) 8.103 ======================= Grid point 125 (59/80) ======================= q-point: ( 0.33 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 15.936 4.401 -5.449) 17.408 1.206 ( 8.532 -4.354 -3.217) 10.104 1.312 ( 0.755 -5.019 -0.296) 5.084 1.608 ( 1.280 -3.444 4.657) 5.932 1.761 ( -1.385 6.633 7.831) 10.356 1.844 ( -2.221 8.349 3.190) 9.210 1.880 ( -0.818 4.224 3.801) 5.741 2.020 ( -3.656 -0.766 -5.817) 6.913 2.070 ( 0.509 -2.068 3.120) 3.778 2.135 ( 1.661 5.794 -1.103) 6.128 2.341 ( -2.615 1.403 -1.015) 3.136 2.415 ( -4.773 4.038 -2.068) 6.586 2.494 ( 2.162 2.867 1.686) 3.967 2.609 ( -2.230 0.060 2.590) 3.418 2.715 ( 0.877 5.136 -6.532) 8.356 2.745 ( 1.172 2.107 -1.509) 2.844 2.812 ( 7.098 3.170 2.825) 8.271 2.984 ( 1.147 5.193 3.067) 6.139 3.078 ( -6.253 -5.361 -2.491) 8.605 3.178 ( 3.454 -0.865 -0.144) 3.563 3.281 ( -1.196 0.578 -4.272) 4.474 3.336 ( -4.794 1.928 1.804) 5.474 3.375 ( 0.774 5.499 -1.893) 5.867 3.481 ( -2.516 1.468 -0.306) 2.929 3.516 ( -2.173 6.148 -3.410) 7.359 3.558 ( 0.769 0.167 -2.325) 2.454 3.652 ( 1.961 -0.853 6.977) 7.298 3.812 ( 3.665 2.376 -0.511) 4.398 3.934 ( 1.592 1.321 -1.132) 2.358 3.986 ( 0.085 1.716 -4.555) 4.868 4.058 ( -2.036 -1.739 -0.030) 2.678 4.209 ( -0.417 -3.618 5.941) 6.968 4.241 ( 0.153 -1.216 3.194) 3.421 4.265 ( -3.018 -0.519 -0.914) 3.196 4.358 ( -0.567 3.418 7.916) 8.641 4.497 ( -0.236 0.136 -5.365) 5.371 4.551 ( 0.369 3.445 5.827) 6.780 4.671 ( -3.024 -0.957 -5.349) 6.218 4.780 ( -2.512 0.080 -6.204) 6.694 4.849 ( -0.967 -2.031 -2.639) 3.468 4.875 ( -4.740 -1.400 -0.564) 4.974 5.031 ( 5.176 0.081 8.007) 9.535 5.131 ( 3.222 -2.362 -3.740) 5.472 5.169 ( 0.745 0.370 -1.924) 2.096 5.268 ( -5.975 -5.578 0.289) 8.179 5.284 ( -2.622 -0.094 -3.595) 4.451 5.400 ( -6.115 -0.761 -0.166) 6.164 5.562 ( -2.652 -0.081 -1.779) 3.194 5.811 ( 1.698 0.423 0.946) 1.989 5.834 ( -2.945 -3.392 -1.069) 4.618 5.948 ( 0.369 -2.531 -1.864) 3.165 6.068 ( -0.794 3.037 -3.839) 4.959 6.271 ( 2.504 3.311 7.457) 8.534 6.325 ( 1.893 0.477 1.256) 2.321 6.397 ( 3.393 3.412 -0.787) 4.875 6.536 ( 1.634 -1.260 -1.243) 2.409 6.663 ( -0.167 0.215 -0.115) 0.295 6.808 ( 2.586 -3.139 -0.881) 4.161 6.901 ( -1.039 -4.819 0.211) 4.934 7.033 ( 1.295 -4.214 1.350) 4.611 7.064 ( -0.038 0.551 -3.392) 3.436 7.134 ( -1.122 -0.715 4.110) 4.320 7.284 ( 4.942 -1.910 -1.931) 5.640 7.322 ( -0.573 -1.279 -3.836) 4.084 7.354 ( 2.018 -0.826 2.505) 3.321 7.383 ( 4.507 0.618 -0.705) 4.604 7.512 ( 0.806 0.930 6.055) 6.179 7.642 ( -0.884 1.395 -1.505) 2.234 7.695 ( -2.663 0.580 -2.923) 3.996 7.787 ( -3.529 0.996 1.776) 4.074 7.855 ( 3.651 -1.652 -1.735) 4.366 7.923 ( 1.293 1.840 0.445) 2.293 7.993 ( 1.852 0.484 0.908) 2.118 8.038 ( 0.036 0.844 3.369) 3.474 8.158 ( -3.804 0.470 -0.486) 3.864 8.298 ( -0.810 -0.239 -3.400) 3.504 8.374 ( -0.439 2.854 -0.038) 2.888 8.464 ( -1.351 1.319 3.659) 4.118 8.548 ( -2.906 -0.137 -1.163) 3.133 8.665 ( -3.487 0.201 -0.923) 3.612 10.095 ( -0.573 11.539 2.118) 11.746 10.152 ( 1.291 13.724 -2.023) 13.932 11.917 ( -0.556 -2.798 6.052) 6.691 12.236 ( 3.144 -1.271 1.511) 3.712 12.617 ( 6.804 -5.717 -10.504) 13.759 12.869 ( -6.708 1.742 12.254) 14.078 12.900 ( -9.252 7.108 13.234) 17.643 13.218 ( 10.526 12.337 -14.044) 21.453 13.497 ( 8.211 18.064 -19.432) 27.773 13.801 ( -9.286 -0.727 -8.451) 12.577 14.143 ( 7.643 -6.801 -1.174) 10.298 14.353 ( -13.668 -7.856 14.823) 21.639 15.316 ( 3.197 -3.341 -2.569) 5.290 15.392 ( 6.757 -6.284 -1.775) 9.397 15.562 ( -6.537 6.692 5.412) 10.808 15.590 ( -3.612 1.574 7.785) 8.725 15.831 ( 3.653 5.480 -1.449) 6.743 15.922 ( 5.077 8.069 -5.157) 10.839 16.095 ( 1.587 2.576 3.943) 4.970 16.145 ( 1.548 2.101 3.515) 4.377 17.184 ( -2.936 -6.705 -11.700) 13.801 17.260 ( 0.712 -0.991 2.618) 2.888 17.323 ( 4.226 -0.667 1.924) 4.690 17.543 ( -7.075 -2.697 -0.118) 7.572 17.846 ( 7.273 -6.920 1.787) 10.197 18.046 ( 3.663 -0.312 1.642) 4.027 18.219 ( -2.494 -9.287 -2.566) 9.953 18.358 ( -8.502 -3.647 1.642) 9.396 ======================= Grid point 126 (60/80) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -18.208 -5.774 11.088) 22.086 1.375 ( 14.870 -6.297 -11.134) 19.615 1.506 ( 24.144 2.780 5.089) 24.831 1.590 ( -18.613 4.540 -2.710) 19.350 1.718 ( 1.784 -0.514 8.859) 9.052 1.810 ( -3.562 4.688 4.798) 7.595 1.945 ( -7.497 -4.290 -8.263) 11.954 1.963 ( 2.123 8.732 -5.777) 10.683 2.038 ( 2.857 1.709 8.013) 8.677 2.138 ( -3.110 -0.974 -2.603) 4.171 2.344 ( -1.251 10.138 7.180) 12.486 2.389 ( 6.240 2.439 6.591) 9.398 2.513 ( -2.804 4.272 -2.903) 5.877 2.567 ( -2.112 1.734 -6.725) 7.259 2.635 ( 5.378 3.752 -1.102) 6.650 2.705 ( -5.309 1.294 -6.516) 8.504 2.832 ( -3.916 -1.806 7.664) 8.794 2.979 ( 3.711 -2.854 -6.331) 7.873 3.084 ( -3.605 -3.911 5.735) 7.822 3.189 ( -3.285 -3.398 -2.854) 5.521 3.240 ( 4.893 2.177 2.682) 5.990 3.328 ( 2.425 7.206 -2.712) 8.072 3.397 ( 0.069 3.100 -0.902) 3.229 3.406 ( -1.569 6.859 -3.703) 7.951 3.478 ( -0.067 1.862 0.670) 1.980 3.536 ( 3.966 3.649 -6.355) 8.332 3.757 ( 1.939 0.176 3.974) 4.425 3.844 ( 0.295 -0.758 -4.283) 4.360 3.966 ( 0.702 0.608 0.461) 1.037 3.980 ( 2.223 1.842 -1.880) 3.446 4.136 ( 5.836 -1.186 8.032) 9.999 4.239 ( -4.014 -2.318 4.638) 6.557 4.247 ( -0.750 -2.287 -0.272) 2.422 4.284 ( -1.392 2.103 7.126) 7.559 4.358 ( -0.589 0.127 -3.742) 3.790 4.425 ( -2.665 0.968 -2.986) 4.118 4.516 ( -0.654 2.427 1.138) 2.759 4.623 ( 1.056 3.203 -6.253) 7.104 4.729 ( 2.504 -1.210 0.348) 2.803 4.787 ( -2.742 -2.486 -3.677) 5.217 4.878 ( 0.642 -0.186 5.515) 5.555 4.997 ( -3.662 -0.689 -7.518) 8.391 5.159 ( -4.533 -0.214 2.143) 5.019 5.215 ( 3.948 -0.141 -0.311) 3.963 5.251 ( 4.250 0.384 5.824) 7.220 5.270 ( 1.513 0.095 -0.519) 1.602 5.355 ( -0.427 1.195 1.924) 2.305 5.462 ( -3.687 1.595 -5.438) 6.761 5.765 ( -3.500 -3.379 1.249) 5.023 5.816 ( -1.072 -2.950 -3.162) 4.455 5.944 ( -0.075 0.822 3.668) 3.760 6.019 ( -0.433 2.433 -3.108) 3.971 6.353 ( -1.702 1.233 2.919) 3.597 6.385 ( 1.805 1.325 0.443) 2.283 6.448 ( 2.991 0.889 2.827) 4.210 6.533 ( 0.496 -1.385 -3.320) 3.631 6.686 ( 2.803 -3.073 0.844) 4.244 6.751 ( -2.417 -4.793 -6.270) 8.255 6.931 ( -0.269 -3.327 2.901) 4.423 6.991 ( 0.747 -1.586 -3.385) 3.812 7.137 ( -1.635 -2.640 6.540) 7.240 7.163 ( 1.164 0.753 5.665) 5.833 7.213 ( -5.026 0.360 -2.776) 5.753 7.314 ( 3.554 -1.715 -7.553) 8.522 7.425 ( -1.516 1.003 2.754) 3.300 7.469 ( 5.185 -1.140 -1.074) 5.416 7.524 ( -0.482 -0.710 1.897) 2.082 7.578 ( -2.127 -0.472 -3.231) 3.897 7.729 ( 5.214 0.986 0.747) 5.359 7.734 ( -3.671 0.343 0.873) 3.789 7.897 ( -1.318 -1.026 0.108) 1.674 7.916 ( 1.703 -2.040 -1.383) 2.996 8.045 ( 1.929 2.296 1.922) 3.562 8.078 ( -1.245 1.943 -1.136) 2.572 8.118 ( 1.365 0.525 4.820) 5.037 8.220 ( -2.611 0.527 -4.940) 5.612 8.413 ( 3.460 2.585 1.290) 4.507 8.428 ( -3.548 2.564 0.226) 4.383 8.541 ( 0.983 0.666 2.284) 2.575 8.589 ( -2.240 1.415 -2.202) 3.445 10.102 ( -1.342 11.344 2.583) 11.711 10.155 ( 1.817 13.525 -2.868) 13.944 12.001 ( 1.311 -4.937 9.186) 10.510 12.186 ( -1.862 -4.578 -8.660) 9.971 12.825 ( 2.220 0.248 8.972) 9.246 12.836 ( -1.905 -3.015 9.860) 10.485 12.917 ( 0.841 6.128 9.926) 11.695 13.153 ( -7.897 7.269 -15.284) 18.676 13.415 ( 0.086 12.039 -13.546) 18.123 13.485 ( 8.258 18.197 -17.152) 26.335 14.249 ( -13.484 -8.547 15.560) 22.293 14.458 ( 17.930 -8.031 -5.137) 20.307 15.362 ( -2.261 1.855 5.834) 6.526 15.471 ( -5.185 0.041 -1.894) 5.520 15.501 ( 1.817 0.968 4.362) 4.824 15.581 ( 1.150 -4.055 -1.466) 4.462 15.902 ( 1.842 0.931 4.436) 4.893 15.997 ( 3.723 3.848 2.400) 5.867 16.010 ( -4.565 3.074 -4.594) 7.169 16.082 ( -3.542 3.790 -4.046) 6.579 17.187 ( 1.484 -4.352 0.099) 4.599 17.206 ( -3.446 -1.589 -1.840) 4.218 17.427 ( 0.267 -1.782 1.738) 2.504 17.444 ( 0.839 -0.815 -0.108) 1.175 17.999 ( 5.116 -2.927 2.363) 6.350 18.043 ( -3.862 -1.114 -2.091) 4.531 18.228 ( 1.776 -8.005 1.165) 8.282 18.243 ( -0.895 -5.899 -0.402) 5.980 ======================= Grid point 127 (61/80) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -19.091 -8.624 16.573) 26.712 1.053 ( -27.065 6.735 -6.232) 28.578 1.524 ( 7.521 -4.643 -12.594) 15.386 1.638 ( -11.773 14.080 12.220) 22.049 1.746 ( 1.271 -5.317 -5.554) 7.793 1.842 ( -0.996 -0.286 5.682) 5.776 1.930 ( 10.665 4.513 -2.868) 11.931 2.000 ( -3.678 3.582 -1.633) 5.387 2.098 ( 4.881 5.748 3.105) 8.155 2.119 ( -2.185 -0.910 0.417) 2.403 2.330 ( -4.102 9.374 4.295) 11.097 2.401 ( 0.862 1.747 -2.924) 3.513 2.517 ( 1.825 1.690 2.603) 3.601 2.585 ( -0.345 7.516 -3.444) 8.275 2.679 ( 10.105 -3.554 -1.401) 10.803 2.752 ( -5.021 -0.796 1.778) 5.385 2.794 ( 1.516 0.862 3.486) 3.898 2.985 ( -3.947 -1.087 2.043) 4.575 3.047 ( 5.445 -0.718 -2.156) 5.900 3.187 ( -0.755 -2.860 1.760) 3.442 3.260 ( -0.917 6.458 -0.946) 6.591 3.331 ( -0.267 4.288 -3.516) 5.552 3.395 ( 1.146 5.456 -0.983) 5.661 3.435 ( 5.363 3.071 2.297) 6.593 3.504 ( 5.850 -1.412 -1.309) 6.159 3.583 ( 4.087 3.538 -5.303) 7.572 3.775 ( -1.393 -3.795 -2.451) 4.728 3.820 ( 1.226 3.075 -0.118) 3.312 3.941 ( -1.719 0.420 -5.002) 5.306 3.978 ( -0.395 2.104 -2.075) 2.981 4.097 ( -3.659 -0.788 -3.498) 5.123 4.225 ( 0.153 0.717 3.615) 3.689 4.274 ( -2.576 -0.467 -0.062) 2.619 4.291 ( -2.312 -4.140 3.811) 6.083 4.401 ( 4.074 -1.770 1.777) 4.784 4.452 ( 2.363 3.920 0.347) 4.590 4.561 ( 3.629 -2.807 0.454) 4.611 4.632 ( 3.354 3.127 -0.664) 4.633 4.679 ( -0.940 -1.324 -0.658) 1.752 4.801 ( 2.115 -0.505 2.242) 3.123 4.910 ( -0.310 -0.791 -1.748) 1.944 4.956 ( -0.918 0.487 7.638) 7.708 5.139 ( -1.381 -1.034 5.316) 5.589 5.218 ( -4.421 2.594 -6.829) 8.539 5.233 ( -2.216 0.193 -2.811) 3.585 5.318 ( 5.657 0.866 -5.166) 7.709 5.376 ( 3.013 -0.675 2.680) 4.088 5.472 ( 2.535 1.042 6.593) 7.140 5.753 ( -1.432 -4.496 6.721) 8.212 5.826 ( 2.866 -2.242 1.382) 3.893 5.916 ( -4.027 -0.409 1.257) 4.239 6.025 ( 1.631 1.918 -0.322) 2.538 6.314 ( -4.722 3.166 2.448) 6.190 6.396 ( 0.322 2.871 -2.215) 3.640 6.435 ( -2.735 -1.875 -6.275) 7.098 6.510 ( -0.977 0.435 0.393) 1.139 6.687 ( 1.156 -2.164 -2.807) 3.728 6.791 ( 3.658 -1.563 0.250) 3.986 6.886 ( -1.003 -6.274 1.236) 6.472 7.042 ( -3.289 0.413 -0.420) 3.341 7.048 ( -0.338 -2.369 0.880) 2.549 7.157 ( -4.539 -0.688 5.263) 6.984 7.213 ( -1.699 -2.630 -0.442) 3.162 7.335 ( 3.800 -1.176 -0.897) 4.078 7.356 ( -2.941 2.073 -1.655) 3.960 7.440 ( -3.283 -0.545 -5.095) 6.086 7.586 ( 2.414 1.278 2.903) 3.986 7.622 ( 5.410 -3.020 -0.254) 6.201 7.649 ( -3.973 1.835 -1.845) 4.750 7.816 ( 0.778 -0.341 -0.595) 1.037 7.839 ( -0.065 -1.115 -0.542) 1.241 7.951 ( 1.246 0.623 -1.699) 2.197 8.008 ( -3.325 1.983 -1.190) 4.050 8.119 ( 2.191 0.056 -2.036) 2.992 8.132 ( 0.219 1.128 -0.286) 1.184 8.215 ( 1.808 -0.062 4.924) 5.246 8.376 ( -1.157 2.838 -0.128) 3.068 8.511 ( 4.652 0.932 1.629) 5.016 8.530 ( -1.144 1.198 -2.006) 2.601 8.617 ( 2.898 0.355 3.843) 4.827 10.094 ( -1.652 11.990 1.872) 12.247 10.165 ( 2.178 13.845 -2.998) 14.332 12.066 ( -0.736 -4.334 -9.040) 10.052 12.141 ( 2.644 -6.080 10.235) 12.195 12.605 ( -15.330 -3.152 -7.981) 17.568 12.845 ( -8.577 10.288 11.523) 17.669 12.986 ( -3.169 9.862 10.296) 14.606 13.190 ( 10.799 1.012 -1.851) 11.004 13.373 ( 7.230 13.187 -14.779) 21.085 13.629 ( 16.565 10.127 0.183) 19.416 14.097 ( -13.793 -6.840 5.965) 16.511 14.671 ( 15.238 -12.750 -14.782) 24.764 15.279 ( -7.957 -3.165 2.002) 8.794 15.336 ( -8.327 -3.051 2.459) 9.203 15.542 ( -1.229 5.846 4.937) 7.750 15.645 ( 2.243 4.094 3.104) 5.606 15.861 ( -4.344 5.143 -2.543) 7.197 15.898 ( -2.749 4.658 -2.470) 5.946 16.109 ( 6.871 1.184 1.930) 7.235 16.176 ( 5.919 0.830 1.487) 6.159 17.002 ( -9.794 1.382 5.448) 11.292 17.289 ( 2.056 -3.706 -0.338) 4.251 17.356 ( -4.215 -0.491 -1.490) 4.498 17.530 ( 4.951 -3.083 0.735) 5.878 17.910 ( -6.054 -5.978 -4.594) 9.669 18.063 ( -0.353 -2.884 0.391) 2.932 18.189 ( -1.157 -5.354 0.295) 5.486 18.380 ( 9.295 -7.693 -0.566) 12.079 ======================= Grid point 128 (62/80) ======================= q-point: (-0.17 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -7.179 4.159 16.544) 18.508 0.815 ( -9.645 -3.239 23.251) 25.379 1.413 ( 0.405 -5.329 -15.924) 16.797 1.585 ( -9.041 15.777 15.050) 23.604 1.716 ( 1.108 2.864 -7.546) 8.147 1.874 ( -2.258 7.029 -0.280) 7.388 1.952 ( -6.325 0.692 2.679) 6.904 2.003 ( 6.137 4.775 1.391) 7.899 2.097 ( 5.291 -1.714 -3.110) 6.372 2.204 ( 2.474 6.351 0.342) 6.824 2.292 ( -4.659 6.065 4.495) 8.872 2.359 ( -5.825 1.985 0.482) 6.173 2.511 ( 0.048 0.744 -6.588) 6.630 2.617 ( -2.876 7.356 3.280) 8.552 2.658 ( -3.092 3.204 1.289) 4.636 2.762 ( 4.850 0.154 -3.656) 6.076 2.787 ( 3.655 -2.163 -1.879) 4.644 3.022 ( 2.184 1.635 -4.074) 4.903 3.048 ( -5.652 0.583 0.136) 5.683 3.170 ( 1.586 -2.360 -1.384) 3.163 3.300 ( 2.006 2.002 0.182) 2.840 3.371 ( 0.181 4.319 2.154) 4.830 3.408 ( 2.967 1.326 5.274) 6.195 3.517 ( 0.670 5.401 -3.820) 6.649 3.576 ( 0.724 -2.014 -2.538) 3.320 3.598 ( 4.975 -1.453 -5.969) 7.905 3.722 ( 1.063 1.864 -7.047) 7.367 3.804 ( 1.970 1.989 -3.564) 4.532 3.879 ( -1.379 1.440 4.436) 4.863 3.966 ( 0.673 1.997 -0.717) 2.226 4.106 ( 1.928 0.571 1.521) 2.521 4.230 ( -3.410 -2.772 -1.301) 4.583 4.252 ( 0.401 0.093 -1.195) 1.264 4.354 ( 6.765 -1.476 2.992) 7.543 4.368 ( -2.904 -2.492 -1.182) 4.005 4.474 ( 1.937 -1.068 -1.912) 2.924 4.612 ( 2.805 1.382 -1.947) 3.683 4.685 ( 3.122 -2.280 3.986) 5.553 4.778 ( -0.256 -0.266 3.791) 3.809 4.847 ( 0.883 -0.590 1.116) 1.540 4.954 ( 3.044 -0.992 0.738) 3.285 4.997 ( -3.082 0.560 -2.845) 4.232 5.044 ( -1.638 -2.445 2.562) 3.902 5.118 ( -1.774 -1.795 1.432) 2.901 5.210 ( 0.611 -6.332 7.563) 9.883 5.462 ( 2.095 -2.096 -1.305) 3.238 5.487 ( 7.720 1.908 3.390) 8.645 5.613 ( 7.521 -1.299 7.567) 10.748 5.798 ( 2.738 -0.295 2.651) 3.822 5.852 ( -4.123 -3.435 0.870) 5.437 5.927 ( 3.639 -2.738 2.743) 5.316 6.052 ( 0.493 0.254 1.358) 1.467 6.216 ( -7.051 4.111 -0.381) 8.171 6.303 ( -2.393 0.764 -4.678) 5.310 6.390 ( 1.019 3.339 -3.667) 5.063 6.468 ( -4.371 0.393 1.023) 4.506 6.673 ( -0.042 1.604 -1.507) 2.201 6.797 ( 0.496 -2.332 -1.485) 2.809 6.903 ( -2.162 -3.155 -1.250) 4.024 6.995 ( 0.415 -3.279 0.721) 3.383 7.092 ( 1.113 -1.944 0.992) 2.450 7.120 ( -0.851 -2.824 0.762) 3.047 7.177 ( -2.729 0.295 3.209) 4.223 7.277 ( -5.151 3.738 -1.910) 6.645 7.323 ( -3.738 1.746 -4.949) 6.443 7.332 ( -2.108 -2.008 -1.087) 3.107 7.568 ( 1.116 2.912 -2.917) 4.270 7.640 ( 0.055 2.494 1.936) 3.158 7.733 ( 3.192 -2.584 3.189) 5.200 7.782 ( -0.691 -0.877 0.036) 1.117 7.868 ( 1.099 2.197 -3.267) 4.087 7.897 ( -1.190 0.286 -1.480) 1.921 7.989 ( 0.762 -0.406 -1.210) 1.486 8.056 ( -1.747 1.823 -3.603) 4.400 8.220 ( 2.893 -2.211 2.795) 4.590 8.284 ( 1.595 0.478 2.941) 3.379 8.378 ( 0.122 1.983 1.293) 2.370 8.491 ( -0.922 1.172 -2.253) 2.701 8.613 ( 4.167 -0.630 1.503) 4.474 8.708 ( 2.054 -3.321 2.594) 4.688 10.085 ( -0.867 12.707 1.551) 12.830 10.171 ( 1.831 14.485 -4.151) 15.179 11.993 ( 1.456 -2.589 -6.475) 7.124 12.162 ( -7.478 -0.463 -4.521) 8.751 12.447 ( 1.637 -5.628 14.093) 15.263 12.815 ( -7.957 10.195 13.238) 18.507 13.049 ( -1.679 12.632 9.603) 15.956 13.255 ( 7.566 8.246 -12.680) 16.912 13.344 ( 2.582 3.623 -14.551) 15.216 13.803 ( -5.726 4.572 -8.474) 11.203 14.098 ( 9.593 -8.688 19.434) 23.350 14.766 ( 11.963 -18.245 -17.648) 28.062 15.215 ( -1.074 -3.461 4.891) 6.087 15.257 ( -1.166 -2.002 4.008) 4.629 15.556 ( -4.535 11.155 8.813) 14.922 15.690 ( -3.649 9.715 7.636) 12.884 15.768 ( -2.307 4.818 -3.895) 6.611 15.829 ( -2.538 1.091 -5.296) 5.974 16.076 ( -6.104 7.980 -12.560) 16.084 16.119 ( -7.298 4.145 -9.626) 12.771 17.098 ( 2.082 1.812 18.211) 18.419 17.277 ( -0.183 -1.849 -2.744) 3.314 17.297 ( 1.469 -0.679 0.787) 1.800 17.638 ( 4.217 -5.716 2.495) 7.529 17.788 ( 0.152 -11.489 -2.013) 11.665 17.991 ( -4.678 -3.084 -4.717) 7.324 18.236 ( 3.308 -6.768 5.957) 9.604 18.520 ( 5.566 -8.269 -2.180) 10.203 ======================= Grid point 129 (63/80) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 5.304 12.796 9.500) 16.796 1.207 ( 1.279 2.701 -14.015) 14.330 1.325 ( 12.605 10.475 16.920) 23.556 1.653 ( -10.137 7.557 -13.129) 18.227 1.852 ( 6.202 3.614 -0.621) 7.205 1.881 ( -5.582 1.249 -3.303) 6.605 2.005 ( -7.296 8.724 4.195) 12.122 2.070 ( 4.860 2.550 -0.978) 5.575 2.273 ( -2.056 7.620 2.649) 8.325 2.296 ( -0.530 2.484 1.190) 2.804 2.395 ( -4.359 8.643 6.019) 11.398 2.437 ( 2.340 0.164 4.773) 5.318 2.542 ( -2.872 -3.295 -6.247) 7.624 2.563 ( 7.321 7.044 -8.315) 13.128 2.768 ( -4.701 2.807 3.935) 6.743 2.808 ( 1.679 -3.028 -0.058) 3.463 2.909 ( 3.160 1.035 6.695) 7.475 2.932 ( -0.969 2.840 3.487) 4.600 3.061 ( -5.585 -2.247 -2.355) 6.465 3.105 ( 3.404 5.157 -6.901) 9.263 3.213 ( -4.341 -5.310 6.436) 9.406 3.413 ( 3.246 -1.258 -11.774) 12.278 3.489 ( -1.803 7.482 5.001) 9.178 3.583 ( -0.857 5.240 1.926) 5.648 3.617 ( 1.377 7.165 -1.362) 7.422 3.684 ( 1.979 3.642 -1.173) 4.308 3.818 ( 0.410 1.365 0.196) 1.439 3.889 ( 3.648 3.051 -4.343) 6.440 3.950 ( 1.070 1.070 1.922) 2.446 3.986 ( -1.724 0.228 -2.257) 2.849 4.111 ( 1.408 -1.590 -0.120) 2.127 4.125 ( -4.492 -2.829 -2.504) 5.869 4.200 ( -0.359 1.588 6.919) 7.108 4.318 ( -0.632 2.376 -2.655) 3.618 4.433 ( -0.955 -2.031 0.181) 2.252 4.481 ( 5.113 -1.671 -2.009) 5.743 4.681 ( 0.801 -1.685 3.061) 3.585 4.704 ( -0.551 -3.302 4.804) 5.856 4.738 ( -2.696 0.795 0.949) 2.967 4.793 ( -3.014 1.692 -2.468) 4.247 4.910 ( 2.812 -0.553 -0.762) 2.966 4.944 ( -0.618 -0.925 2.071) 2.350 4.986 ( 2.928 -9.484 -2.919) 10.346 5.064 ( -1.088 -4.006 -4.648) 6.232 5.169 ( 5.114 -3.027 4.109) 7.225 5.264 ( -5.722 -4.445 -3.892) 8.225 5.641 ( -4.014 -4.825 4.161) 7.531 5.684 ( 3.728 -5.035 -0.545) 6.289 5.773 ( 0.680 -3.056 3.778) 4.907 5.830 ( 0.924 -3.352 -0.908) 3.593 6.029 ( 2.335 1.720 1.946) 3.493 6.046 ( -1.912 1.711 2.424) 3.529 6.223 ( -1.766 3.813 2.700) 4.995 6.280 ( 0.524 5.048 -1.264) 5.230 6.406 ( -1.488 2.278 0.705) 2.811 6.478 ( 2.725 5.097 -5.682) 8.105 6.657 ( 0.841 -3.903 3.517) 5.321 6.751 ( -0.545 -1.285 -4.435) 4.649 6.858 ( -1.172 -2.103 0.359) 2.434 6.883 ( -1.354 0.045 -0.688) 1.520 7.068 ( 2.115 -4.084 1.492) 4.836 7.102 ( 0.998 -1.868 -1.896) 2.843 7.192 ( -1.945 0.257 3.545) 4.052 7.243 ( 0.538 -0.621 -2.069) 2.226 7.258 ( -0.665 -0.587 1.979) 2.169 7.325 ( 0.938 1.199 -4.146) 4.417 7.634 ( -2.717 0.302 0.657) 2.812 7.661 ( 2.241 1.406 -1.939) 3.280 7.764 ( 1.606 -0.847 2.399) 3.008 7.776 ( -1.250 0.268 0.695) 1.455 7.885 ( -0.044 0.845 -0.215) 0.873 7.892 ( 1.054 2.987 -1.669) 3.581 7.988 ( 0.155 -0.167 0.266) 0.350 8.028 ( -1.121 2.124 -3.752) 4.455 8.235 ( -0.483 -1.585 5.460) 5.706 8.308 ( -0.337 -0.495 -1.850) 1.945 8.458 ( -0.059 2.889 1.794) 3.401 8.493 ( 0.065 2.759 -1.977) 3.395 8.645 ( -2.012 -2.355 2.017) 3.697 8.664 ( 1.716 -0.898 -0.051) 1.937 10.437 ( -1.517 20.207 2.681) 20.440 10.508 ( 1.761 19.820 -4.819) 20.473 11.977 ( 3.102 -1.661 -0.416) 3.543 11.994 ( -3.969 -1.432 -2.162) 4.741 12.622 ( 9.040 -2.944 16.267) 18.842 12.964 ( -8.486 -1.673 -16.908) 18.992 13.088 ( -7.383 9.992 10.070) 15.992 13.357 ( 3.524 11.765 -13.882) 18.535 13.604 ( -3.395 15.030 17.485) 23.306 13.915 ( 5.610 10.269 -9.338) 14.970 14.071 ( -1.218 -6.668 8.151) 10.601 14.343 ( 8.044 -19.962 -15.307) 26.410 15.377 ( 11.384 0.741 7.611) 13.714 15.474 ( 8.866 2.635 6.073) 11.065 15.523 ( -10.938 -2.429 -6.076) 12.746 15.604 ( -11.311 -0.491 -5.879) 12.757 15.798 ( -0.489 8.164 10.601) 13.389 15.924 ( -5.322 9.074 11.255) 15.405 15.995 ( -3.962 4.086 -8.579) 10.295 16.109 ( -0.295 4.258 -7.076) 8.263 17.214 ( -1.729 2.048 1.291) 2.975 17.234 ( 1.069 0.022 -0.853) 1.367 17.481 ( 4.615 -1.594 6.110) 7.821 17.543 ( -1.400 -9.228 -0.026) 9.334 17.651 ( 14.654 -7.572 -0.720) 16.511 17.702 ( -11.546 -5.132 -5.932) 13.958 18.227 ( 5.290 -7.553 2.478) 9.549 18.274 ( -3.991 -12.333 -2.298) 13.164 ======================= Grid point 130 (64/80) ======================= q-point: ( 0.17 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 3.283 1.587 -14.881) 15.321 1.179 ( 7.801 10.304 3.808) 13.473 1.305 ( -4.138 6.805 -16.555) 18.371 1.634 ( -6.634 4.095 3.052) 8.372 1.767 ( 5.154 5.485 7.651) 10.733 1.931 ( -3.126 5.974 5.651) 8.798 1.948 ( -0.201 0.895 1.463) 1.727 2.132 ( -1.821 3.616 -1.700) 4.391 2.210 ( -6.903 1.197 -1.128) 7.096 2.269 ( -0.167 7.551 5.034) 9.077 2.373 ( -2.395 2.413 0.424) 3.426 2.441 ( -1.072 -0.763 -4.468) 4.658 2.561 ( 3.697 -3.121 5.001) 6.958 2.586 ( 1.936 7.432 -3.090) 8.278 2.765 ( -0.884 -0.123 1.243) 1.530 2.796 ( -2.214 5.047 1.014) 5.604 2.862 ( 1.287 -2.475 1.359) 3.104 2.987 ( -0.566 3.512 3.627) 5.080 3.085 ( 5.797 4.948 -3.334) 8.319 3.165 ( -1.143 3.206 3.756) 5.069 3.293 ( 5.976 -6.263 7.543) 11.482 3.364 ( 2.559 0.425 -8.261) 8.659 3.490 ( -2.911 5.483 1.328) 6.349 3.576 ( -0.295 6.727 1.817) 6.975 3.621 ( -3.755 4.971 -0.815) 6.283 3.649 ( -1.604 2.421 -4.150) 5.065 3.753 ( -1.185 7.873 -4.112) 8.960 3.867 ( -0.909 3.080 -1.879) 3.721 3.933 ( 1.358 -0.497 -1.952) 2.429 4.035 ( 1.976 -0.368 2.731) 3.391 4.065 ( -1.274 -3.067 -1.503) 3.646 4.146 ( -1.484 -0.103 2.034) 2.519 4.236 ( -1.862 2.044 0.278) 2.779 4.289 ( 1.698 1.657 4.787) 5.343 4.354 ( -4.524 -0.782 -1.472) 4.822 4.499 ( 1.549 -1.853 -5.141) 5.680 4.647 ( -4.210 1.960 -0.299) 4.653 4.702 ( -0.401 -1.009 0.843) 1.375 4.771 ( 0.908 -1.077 3.626) 3.890 4.853 ( 4.153 -1.480 4.517) 6.312 4.904 ( 0.584 -4.327 -5.910) 7.348 4.922 ( -3.657 -2.772 -0.426) 4.608 5.002 ( 3.114 -1.466 -1.457) 3.738 5.099 ( 4.440 -5.711 0.604) 7.260 5.117 ( -1.843 -3.250 -2.255) 4.364 5.326 ( 2.949 -5.805 3.732) 7.505 5.529 ( -7.999 0.218 0.871) 8.049 5.661 ( -6.685 -3.023 -1.313) 7.453 5.776 ( -1.345 -4.077 -0.815) 4.370 5.791 ( -0.022 -3.957 -0.840) 4.045 5.949 ( -4.870 2.462 -0.881) 5.528 6.128 ( 3.055 0.200 0.297) 3.076 6.294 ( 1.757 3.485 0.676) 3.961 6.327 ( 7.716 2.094 1.202) 8.085 6.400 ( -0.867 7.027 -0.178) 7.082 6.493 ( 2.418 1.175 -2.156) 3.446 6.689 ( -0.181 -1.977 -4.095) 4.551 6.716 ( -0.063 -2.430 3.487) 4.251 6.849 ( 0.261 1.103 2.222) 2.494 6.914 ( 1.817 -2.656 2.112) 3.849 7.060 ( -1.749 -4.395 -3.554) 5.917 7.077 ( 0.035 -2.510 -1.698) 3.030 7.216 ( 0.442 -1.419 3.581) 3.877 7.265 ( 1.266 -1.078 2.189) 2.749 7.297 ( 3.100 -0.024 0.481) 3.137 7.304 ( 1.557 -1.638 -5.214) 5.683 7.553 ( -4.057 1.235 1.674) 4.559 7.703 ( -0.838 1.357 0.147) 1.602 7.765 ( 2.488 -0.739 -1.662) 3.082 7.782 ( -0.856 -0.053 -0.170) 0.874 7.856 ( -1.983 0.824 -0.780) 2.285 7.951 ( 4.548 5.168 -0.512) 6.903 7.983 ( -0.654 0.105 -1.372) 1.524 8.011 ( 0.316 0.818 3.465) 3.575 8.222 ( -3.777 -0.889 0.628) 3.931 8.308 ( 0.709 -1.020 0.464) 1.326 8.448 ( -1.044 2.523 0.366) 2.755 8.495 ( 0.377 3.473 -0.032) 3.493 8.600 ( -3.051 -1.018 0.679) 3.287 8.692 ( 0.607 -0.777 -0.433) 1.077 10.427 ( -2.224 19.894 3.022) 20.245 10.503 ( 1.964 20.157 -3.458) 20.545 11.886 ( -4.160 -1.803 0.333) 4.546 12.090 ( 5.709 -1.831 1.472) 6.173 12.613 ( -6.141 -7.725 -14.713) 17.716 12.984 ( 5.297 6.436 13.397) 15.778 13.051 ( -7.730 7.110 12.462) 16.297 13.358 ( 6.990 11.093 -3.692) 13.621 13.656 ( -0.951 6.906 4.515) 8.306 13.948 ( 4.136 6.871 -6.866) 10.558 14.066 ( 0.985 3.215 -4.430) 5.562 14.334 ( 3.038 -12.097 -11.803) 17.171 15.256 ( -6.164 -2.700 -5.955) 8.986 15.331 ( -7.118 0.767 -4.708) 8.569 15.645 ( -0.077 3.261 9.957) 10.477 15.707 ( 7.140 -0.942 6.147) 9.468 15.889 ( 0.227 3.767 -5.492) 6.663 15.989 ( 0.079 8.854 14.216) 16.747 16.014 ( 8.385 3.971 10.443) 13.969 16.054 ( 0.844 3.667 -2.902) 4.752 17.205 ( -1.453 -1.110 1.626) 2.447 17.262 ( 1.865 0.806 0.303) 2.055 17.341 ( -15.680 -8.341 -8.603) 19.734 17.505 ( 0.779 -8.931 -4.823) 10.180 17.565 ( 0.911 -6.554 0.969) 6.687 17.895 ( 10.194 -0.564 0.709) 10.234 18.131 ( -6.334 -10.797 -1.773) 12.643 18.326 ( 1.463 -6.814 -0.443) 6.984 ======================= Grid point 131 (65/80) ======================= q-point: ( 0.33 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 12.862 -2.534 -12.775) 18.304 1.233 ( 11.506 7.976 -6.086) 15.266 1.345 ( -4.231 7.372 3.259) 9.103 1.527 ( 1.840 -1.377 1.837) 2.942 1.888 ( 1.048 2.338 2.881) 3.855 1.914 ( -5.450 -3.712 -4.575) 8.026 1.978 ( -6.417 4.684 9.972) 12.750 1.999 ( 3.135 1.114 2.128) 3.949 2.097 ( -7.290 6.861 1.636) 10.144 2.297 ( -1.358 6.259 -2.924) 7.041 2.322 ( -0.064 -1.294 0.398) 1.355 2.451 ( 2.308 0.309 1.084) 2.569 2.555 ( -1.351 3.677 0.131) 3.920 2.614 ( -3.792 -1.920 2.866) 5.126 2.780 ( 2.495 0.279 4.947) 5.548 2.829 ( 0.246 0.991 -1.615) 1.910 2.914 ( -1.322 4.898 -2.079) 5.482 2.986 ( 0.402 1.033 -2.855) 3.063 3.110 ( -0.657 6.769 0.486) 6.818 3.181 ( -0.092 1.343 -2.140) 2.528 3.273 ( -4.799 -2.477 -1.686) 5.658 3.338 ( -4.487 -0.523 -1.123) 4.655 3.461 ( -1.082 1.886 -3.577) 4.186 3.550 ( 3.575 5.471 4.000) 7.662 3.593 ( -0.214 6.962 2.597) 7.433 3.662 ( 2.341 3.813 3.941) 5.962 3.727 ( 0.246 7.168 -6.096) 9.413 3.877 ( 2.048 4.610 -0.159) 5.047 3.960 ( 2.792 1.532 -2.948) 4.340 4.020 ( 0.837 -0.428 -0.419) 1.030 4.044 ( -0.729 2.658 -2.518) 3.733 4.133 ( -1.292 -1.155 7.668) 7.861 4.231 ( -0.156 -0.802 1.471) 1.683 4.274 ( -2.629 1.292 -1.058) 3.115 4.412 ( 3.556 0.877 5.622) 6.710 4.491 ( 0.899 -0.968 -5.991) 6.135 4.590 ( -0.920 0.740 3.903) 4.078 4.637 ( -3.462 -2.112 -7.223) 8.283 4.784 ( -2.162 -3.342 -2.859) 4.900 4.818 ( -0.971 3.241 -3.984) 5.226 4.851 ( -1.562 -0.785 2.509) 3.058 5.032 ( 4.192 -3.061 7.691) 9.279 5.056 ( 3.541 -1.319 -1.934) 4.245 5.138 ( 3.922 -4.443 0.975) 6.006 5.190 ( 0.626 0.316 4.732) 4.783 5.302 ( -4.185 -0.137 -1.000) 4.305 5.386 ( -7.611 -0.288 -2.356) 7.972 5.517 ( -2.098 -3.132 -1.086) 3.923 5.753 ( 0.131 -3.945 -2.678) 4.770 5.812 ( -0.070 -1.214 -0.458) 1.299 5.920 ( 1.715 0.129 1.364) 2.195 6.135 ( -0.132 1.286 -4.629) 4.806 6.287 ( -1.328 0.409 1.456) 2.013 6.377 ( 0.575 3.761 -0.002) 3.805 6.459 ( 1.486 1.099 0.532) 1.923 6.528 ( 2.909 2.130 0.131) 3.608 6.683 ( -1.126 1.134 -0.397) 1.647 6.738 ( 2.005 -3.698 1.021) 4.329 6.821 ( -2.609 -2.591 -3.626) 5.165 6.943 ( -1.521 -3.638 1.887) 4.372 7.027 ( 0.397 -3.765 2.444) 4.506 7.097 ( 3.275 -2.662 -1.138) 4.371 7.247 ( 1.874 -2.930 -2.551) 4.314 7.261 ( -2.473 -3.143 0.629) 4.048 7.335 ( 3.995 -1.682 0.226) 4.340 7.391 ( 5.130 -0.051 1.371) 5.310 7.522 ( -2.483 0.471 2.777) 3.755 7.662 ( -1.873 0.763 -2.040) 2.873 7.743 ( -0.099 3.748 -2.571) 4.546 7.790 ( -2.336 -0.928 1.365) 2.860 7.829 ( 1.912 -0.225 -0.952) 2.148 7.933 ( -2.438 -0.680 -0.528) 2.585 8.041 ( 1.338 0.589 1.621) 2.183 8.068 ( 2.638 4.489 3.496) 6.271 8.151 ( -2.826 -0.912 -0.866) 3.093 8.306 ( -0.400 0.586 -1.778) 1.914 8.444 ( 0.230 3.507 0.357) 3.532 8.506 ( -0.473 2.794 2.548) 3.810 8.554 ( -1.578 0.936 -0.338) 1.866 8.674 ( -1.243 0.741 -1.563) 2.130 10.420 ( -1.967 19.468 3.648) 19.904 10.505 ( 1.938 19.958 -3.703) 20.391 11.846 ( -1.938 -4.083 3.458) 5.691 12.161 ( 0.168 -6.546 -4.472) 7.929 12.479 ( 5.595 -5.267 -4.034) 8.679 13.015 ( -6.420 9.409 9.499) 14.832 13.091 ( -6.544 8.762 12.191) 16.377 13.479 ( 1.690 9.895 -1.633) 10.170 13.729 ( 8.491 4.059 -6.925) 11.684 13.848 ( 0.154 1.411 -11.997) 12.081 14.119 ( 8.692 12.123 -5.263) 15.818 14.239 ( -4.841 0.016 0.956) 4.935 15.214 ( 5.047 -4.947 -1.134) 7.157 15.281 ( 4.488 -3.205 -0.955) 5.597 15.672 ( -5.892 3.820 7.880) 10.555 15.711 ( -7.228 5.379 0.657) 9.033 15.876 ( -1.210 -1.292 2.555) 3.108 16.003 ( -1.003 -0.561 -0.825) 1.414 16.162 ( -0.637 2.753 1.238) 3.085 16.190 ( 1.023 1.676 3.228) 3.778 17.009 ( -5.801 -9.071 -2.703) 11.101 17.233 ( 1.671 -1.847 0.823) 2.623 17.313 ( 2.859 -0.183 -0.014) 2.864 17.472 ( -2.252 -4.005 -2.209) 5.098 17.657 ( 9.132 -9.712 3.239) 13.719 18.027 ( -4.237 -8.775 2.055) 9.958 18.043 ( 5.105 0.089 -1.780) 5.407 18.269 ( -4.325 -4.535 -4.159) 7.521 ======================= Grid point 132 (66/80) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -15.488 3.165 1.196) 15.853 1.242 ( 17.999 -5.296 -10.968) 21.733 1.565 ( 16.262 3.238 3.538) 16.954 1.647 ( -14.186 0.605 -4.562) 14.913 1.725 ( 11.752 3.574 7.874) 14.591 1.862 ( -8.744 -0.407 -4.716) 9.943 1.989 ( -2.972 5.601 6.551) 9.117 2.051 ( -0.527 0.546 2.956) 3.052 2.099 ( 5.736 1.176 -0.899) 5.924 2.157 ( -4.976 4.387 -6.498) 9.286 2.392 ( 3.708 0.868 4.706) 6.054 2.483 ( -0.662 -5.602 -3.767) 6.783 2.568 ( 1.103 7.103 7.357) 10.286 2.598 ( -1.956 3.334 3.838) 5.447 2.712 ( -6.800 3.077 -0.080) 7.465 2.799 ( 2.023 4.002 -6.107) 7.576 2.872 ( -2.583 2.910 4.811) 6.187 2.955 ( -0.311 1.225 -0.587) 1.393 3.040 ( -3.146 -0.142 -4.329) 5.354 3.111 ( -0.600 -3.582 -8.025) 8.809 3.252 ( -0.165 1.208 8.423) 8.510 3.332 ( 2.754 -2.463 -0.095) 3.695 3.504 ( 1.929 5.014 2.851) 6.081 3.561 ( -5.089 4.423 2.497) 7.190 3.592 ( 1.415 9.847 -3.399) 10.513 3.641 ( 0.378 4.477 -6.923) 8.253 3.808 ( 5.420 4.948 3.398) 8.087 3.871 ( -1.622 3.871 -2.863) 5.081 3.965 ( -0.308 0.308 -0.389) 0.584 4.011 ( 3.087 0.869 -3.460) 4.717 4.158 ( 4.831 2.734 4.982) 7.459 4.185 ( -1.737 -1.044 6.458) 6.768 4.222 ( -1.523 -0.679 -0.622) 1.779 4.292 ( 4.409 -1.411 3.054) 5.546 4.368 ( -6.778 2.096 -5.870) 9.209 4.452 ( -1.035 1.411 -3.741) 4.130 4.550 ( 1.374 0.254 2.303) 2.693 4.635 ( -0.681 -2.709 -5.424) 6.101 4.716 ( 1.361 0.391 2.298) 2.699 4.792 ( -0.341 3.740 -3.781) 5.329 4.876 ( 0.603 -0.033 5.126) 5.161 4.972 ( -4.531 -1.331 -4.507) 6.528 5.166 ( -3.060 -0.496 1.544) 3.464 5.198 ( 3.278 -1.836 -0.057) 3.758 5.234 ( 1.095 -1.088 5.523) 5.734 5.273 ( 3.113 -0.680 3.746) 4.918 5.373 ( 3.235 0.975 0.857) 3.486 5.462 ( -2.373 -1.537 -3.770) 4.712 5.710 ( -4.360 -1.698 0.621) 4.720 5.762 ( 0.368 -1.893 -5.435) 5.767 5.968 ( -0.014 1.041 3.677) 3.822 6.063 ( -0.956 1.516 -4.930) 5.245 6.348 ( 1.631 -2.044 7.091) 7.558 6.397 ( -0.758 -0.059 0.860) 1.148 6.461 ( 0.860 0.291 0.123) 0.916 6.553 ( -0.080 2.846 -4.272) 5.134 6.646 ( -1.388 -2.072 -2.875) 3.806 6.664 ( 0.813 -0.810 -3.379) 3.569 6.855 ( -1.629 -3.436 4.029) 5.540 6.925 ( 2.959 -3.955 -2.789) 5.672 7.071 ( -3.495 -3.849 8.099) 9.625 7.155 ( 0.511 -1.872 2.566) 3.216 7.195 ( -1.210 -2.304 -3.893) 4.683 7.237 ( 2.218 -5.344 -5.381) 7.901 7.440 ( 4.276 -1.635 2.906) 5.423 7.467 ( -3.140 2.028 -0.183) 3.742 7.509 ( 4.058 -0.395 1.816) 4.463 7.586 ( -2.625 1.687 -4.853) 5.770 7.745 ( -2.485 0.669 1.295) 2.881 7.761 ( 2.500 1.620 -0.502) 3.021 7.873 ( -1.441 -1.320 -0.034) 1.955 7.879 ( 1.471 -1.400 -0.490) 2.089 8.054 ( -1.196 -0.386 2.655) 2.938 8.102 ( 0.029 -0.185 -2.271) 2.278 8.164 ( 1.748 3.347 4.972) 6.243 8.255 ( -1.710 2.230 -3.981) 4.873 8.474 ( 1.838 3.120 1.206) 3.817 8.488 ( -1.969 3.119 -0.177) 3.693 8.568 ( 0.641 2.154 2.978) 3.731 8.627 ( -0.967 2.140 -2.763) 3.626 10.422 ( -1.862 19.106 3.974) 19.604 10.506 ( 2.592 19.791 -4.581) 20.479 11.883 ( 0.379 -6.434 6.909) 9.449 12.051 ( -1.417 -8.304 -9.847) 12.959 12.700 ( 11.439 -4.484 9.033) 15.250 12.872 ( -10.519 1.473 -5.508) 11.965 13.150 ( -1.742 10.465 15.274) 18.597 13.335 ( -8.707 10.072 -2.824) 13.610 13.742 ( 2.806 17.815 -5.494) 18.853 13.862 ( 9.892 15.631 -15.387) 24.061 14.112 ( -10.076 -1.302 8.439) 13.207 14.317 ( 12.946 -0.763 -9.040) 15.808 15.375 ( 6.991 -0.658 4.403) 8.288 15.434 ( 4.459 -2.624 0.774) 5.232 15.524 ( -5.405 -0.134 -0.363) 5.419 15.549 ( -9.390 0.608 -0.327) 9.415 15.897 ( -1.423 -2.629 8.960) 9.446 16.008 ( -2.178 -3.042 6.258) 7.291 16.058 ( -1.752 -0.193 -5.629) 5.899 16.130 ( -3.538 0.200 -4.233) 5.520 17.067 ( 5.139 -5.335 5.975) 9.517 17.205 ( -2.160 0.889 -7.535) 7.889 17.378 ( 1.325 -2.799 2.826) 4.193 17.420 ( -0.346 -1.554 -1.571) 2.237 17.905 ( 8.956 -6.679 5.646) 12.518 17.997 ( -3.759 -5.980 0.710) 7.098 18.034 ( -2.037 -5.102 0.006) 5.493 18.145 ( -0.642 -4.084 -7.165) 8.272 ======================= Grid point 133 (67/80) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -11.772 5.500 3.992) 13.592 1.245 ( -19.590 11.530 -6.042) 23.520 1.465 ( 11.368 -1.460 -8.797) 14.448 1.634 ( -0.804 -3.633 -7.661) 8.517 1.808 ( 5.204 3.702 3.592) 7.327 1.935 ( -4.868 5.280 6.380) 9.607 1.989 ( -1.188 1.790 -3.993) 4.535 2.064 ( 8.616 3.025 0.324) 9.137 2.135 ( 2.118 3.054 1.090) 3.873 2.187 ( 3.234 0.847 4.859) 5.898 2.364 ( -1.123 -2.792 -3.569) 4.669 2.494 ( -0.585 2.232 -1.636) 2.829 2.593 ( -1.228 6.298 0.113) 6.418 2.635 ( 2.185 2.905 2.205) 4.252 2.747 ( 2.214 3.997 2.827) 5.374 2.813 ( -3.958 5.300 5.789) 8.790 2.852 ( 2.736 4.317 -1.073) 5.223 2.969 ( -3.660 0.259 3.208) 4.873 3.002 ( 4.243 -5.947 0.623) 7.332 3.100 ( 1.896 -1.421 3.454) 4.189 3.327 ( 4.860 -5.590 -0.232) 7.410 3.386 ( -6.506 3.329 4.102) 8.381 3.430 ( 4.465 3.164 -8.246) 9.897 3.540 ( -1.755 5.967 -1.581) 6.418 3.583 ( 0.714 6.995 5.968) 9.223 3.677 ( 4.073 4.387 -2.508) 6.491 3.803 ( -1.371 5.711 -1.547) 6.074 3.894 ( 2.342 4.584 -1.450) 5.348 3.932 ( -1.353 -1.166 -5.323) 5.615 4.018 ( -0.571 1.148 0.030) 1.282 4.105 ( -4.754 2.871 -7.344) 9.207 4.201 ( -1.315 -3.173 4.320) 5.519 4.234 ( 0.048 -0.948 -0.612) 1.129 4.283 ( 2.196 2.080 1.338) 3.308 4.391 ( 0.672 0.225 1.083) 1.294 4.488 ( 4.279 -0.866 3.498) 5.594 4.512 ( -3.166 -0.579 -3.235) 4.563 4.642 ( 0.021 -2.035 0.142) 2.040 4.684 ( 0.120 2.000 1.605) 2.567 4.813 ( 2.335 1.128 0.398) 2.624 4.902 ( 0.509 0.721 -1.891) 2.087 4.952 ( -1.155 -1.035 6.013) 6.209 5.117 ( -3.304 -1.851 1.181) 3.967 5.229 ( -2.053 -0.300 -5.756) 6.119 5.288 ( -0.225 3.018 -3.023) 4.277 5.306 ( 4.367 -1.848 -3.672) 5.998 5.360 ( 1.355 -0.994 0.003) 1.681 5.463 ( 1.905 -1.639 3.077) 3.973 5.660 ( -1.536 -3.819 5.814) 7.124 5.796 ( 2.971 -0.444 1.571) 3.390 5.938 ( -4.029 2.175 1.071) 4.702 6.060 ( 1.301 0.831 0.669) 1.683 6.348 ( -1.935 -1.129 -0.519) 2.300 6.387 ( -4.200 -1.619 -3.620) 5.777 6.451 ( 0.125 1.666 1.957) 2.573 6.513 ( -0.667 0.266 0.137) 0.731 6.675 ( 3.963 0.964 0.599) 4.123 6.737 ( 6.606 -2.109 -0.483) 6.951 6.787 ( -4.826 -3.538 0.465) 6.002 6.985 ( 3.084 -3.063 -1.786) 4.699 7.025 ( -4.918 -2.394 3.283) 6.379 7.110 ( -4.994 -4.964 -1.172) 7.138 7.158 ( -1.093 -1.095 2.258) 2.737 7.298 ( 4.342 -2.539 -0.774) 5.089 7.367 ( -3.567 -0.782 -2.694) 4.538 7.469 ( -3.447 1.994 -6.457) 7.586 7.551 ( 4.151 -2.655 0.745) 4.984 7.610 ( 3.504 1.410 2.506) 4.533 7.706 ( -1.892 2.887 1.031) 3.602 7.814 ( -2.320 -0.055 0.451) 2.364 7.818 ( 2.678 -0.742 -1.496) 3.156 7.931 ( 2.462 -1.591 -0.091) 2.933 8.045 ( -2.973 -0.016 0.641) 3.041 8.107 ( 1.718 -0.317 1.585) 2.359 8.178 ( -1.327 3.409 -4.752) 5.997 8.242 ( 1.545 1.866 4.280) 4.918 8.447 ( -1.365 3.767 -0.208) 4.013 8.533 ( 1.965 1.386 1.616) 2.897 8.564 ( -0.631 2.021 -2.063) 2.956 8.633 ( 1.283 1.296 1.957) 2.675 10.427 ( -1.387 19.698 3.179) 20.001 10.514 ( 3.090 19.412 -4.763) 20.226 11.952 ( 0.406 -6.707 -7.165) 9.823 11.996 ( 2.630 -7.789 9.390) 12.480 12.556 ( -11.795 -0.910 -8.758) 14.720 13.018 ( 8.258 2.602 8.249) 11.959 13.191 ( -2.612 12.088 4.170) 13.051 13.333 ( 1.678 10.215 14.735) 18.008 13.691 ( -0.448 15.970 -12.002) 19.983 13.880 ( 6.097 11.795 -13.976) 19.278 13.982 ( -9.893 0.411 9.127) 13.466 14.409 ( 7.510 -9.433 -12.239) 17.180 15.236 ( -7.713 -0.905 -2.963) 8.312 15.300 ( -6.833 -0.443 -2.631) 7.336 15.617 ( 3.221 0.869 7.520) 8.227 15.692 ( 5.251 0.779 5.622) 7.732 15.948 ( -2.624 1.882 -2.302) 3.966 16.001 ( -1.956 3.578 3.027) 5.079 16.066 ( 3.895 -5.533 6.559) 9.424 16.147 ( 4.368 -4.414 6.731) 9.158 17.069 ( -0.716 4.958 -7.574) 9.081 17.200 ( 2.461 -4.261 3.224) 5.883 17.343 ( -3.067 -0.724 -2.258) 3.877 17.449 ( 1.915 -4.516 0.382) 4.921 17.784 ( -9.321 -4.778 -9.039) 13.835 17.987 ( -2.857 -4.233 4.061) 6.525 18.091 ( 1.435 -4.259 -5.012) 6.732 18.182 ( 7.457 -10.628 4.741) 13.822 ======================= Grid point 134 (68/80) ======================= q-point: (-0.17 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -0.257 11.373 8.173) 14.007 1.002 ( -3.258 14.202 10.238) 17.808 1.386 ( -1.891 3.073 -12.373) 12.888 1.718 ( 10.114 -1.846 -6.375) 12.097 1.849 ( -4.923 9.251 2.956) 10.889 1.935 ( -0.921 2.812 1.578) 3.353 1.990 ( 5.378 -1.687 -1.761) 5.905 2.109 ( -4.325 10.362 1.831) 11.377 2.201 ( 6.646 6.246 0.739) 9.150 2.338 ( 4.047 2.688 1.899) 5.216 2.349 ( -2.007 1.086 -1.720) 2.858 2.393 ( -0.883 2.510 -0.012) 2.660 2.570 ( -1.468 5.026 -3.440) 6.265 2.657 ( -1.921 -4.457 -4.080) 6.341 2.758 ( 0.460 1.530 4.183) 4.478 2.797 ( -1.133 1.459 2.045) 2.756 2.819 ( -3.461 10.017 2.387) 10.864 2.977 ( -2.139 -2.726 0.359) 3.483 3.093 ( 1.208 -4.627 4.751) 6.741 3.122 ( -1.484 3.043 0.182) 3.390 3.320 ( -4.023 2.137 -0.806) 4.626 3.413 ( 2.793 -3.359 0.794) 4.440 3.490 ( 2.584 2.690 2.730) 4.622 3.517 ( 2.015 5.849 -2.144) 6.547 3.626 ( -0.085 3.270 -2.405) 4.060 3.680 ( 0.947 5.320 -3.698) 6.548 3.795 ( 3.729 4.521 -7.704) 9.680 3.870 ( 1.740 5.252 -1.934) 5.860 3.901 ( -0.130 0.912 4.096) 4.198 4.006 ( -0.612 1.877 -1.506) 2.483 4.074 ( 2.971 -3.263 1.915) 4.810 4.186 ( -3.832 0.636 3.588) 5.288 4.231 ( 1.205 -2.996 -5.147) 6.076 4.341 ( -0.132 -0.438 1.821) 1.877 4.354 ( 0.436 2.159 -0.465) 2.251 4.454 ( 1.184 -0.481 -2.773) 3.053 4.617 ( 2.180 -1.963 5.988) 6.668 4.630 ( 0.945 -2.166 3.953) 4.605 4.776 ( 0.367 -0.642 3.543) 3.619 4.832 ( 1.191 0.319 -2.827) 3.084 4.910 ( -0.037 -3.281 0.459) 3.313 4.972 ( 0.894 -2.535 2.778) 3.865 5.038 ( -6.078 0.277 -2.720) 6.664 5.048 ( -2.997 -0.888 -6.719) 7.410 5.180 ( -2.425 1.211 -3.690) 4.579 5.375 ( -1.268 -5.987 -1.916) 6.413 5.497 ( 8.543 -1.252 4.534) 9.752 5.587 ( 5.884 -1.723 5.609) 8.310 5.730 ( 3.262 -3.632 3.276) 5.879 5.809 ( -1.430 -3.024 -2.498) 4.175 5.930 ( 2.090 2.768 3.121) 4.666 6.078 ( -2.023 1.073 3.496) 4.180 6.274 ( -3.395 -0.827 -0.681) 3.560 6.316 ( -4.364 4.368 2.385) 6.619 6.446 ( -0.053 1.007 -2.888) 3.059 6.491 ( -0.838 2.130 -0.837) 2.437 6.662 ( -2.541 -1.949 -0.817) 3.305 6.787 ( 2.246 -0.152 -2.333) 3.242 6.847 ( 1.986 -1.380 2.241) 3.297 6.929 ( -3.292 -3.594 -0.639) 4.915 7.034 ( -0.885 -4.223 0.381) 4.332 7.058 ( 3.477 -2.029 -0.367) 4.042 7.173 ( -1.303 -0.101 5.133) 5.296 7.278 ( -2.432 -2.870 -1.361) 4.001 7.325 ( -3.772 0.592 -2.552) 4.592 7.354 ( 1.247 1.021 -6.191) 6.398 7.600 ( 2.852 -0.544 -2.641) 3.925 7.683 ( 1.760 0.806 1.895) 2.709 7.718 ( -0.563 2.939 3.527) 4.626 7.769 ( -0.817 -0.927 -0.082) 1.239 7.860 ( 2.126 -0.489 -0.537) 2.246 7.959 ( -4.141 2.996 -1.121) 5.233 7.972 ( 1.163 -1.559 -0.145) 1.951 8.101 ( -1.097 2.778 -5.441) 6.207 8.176 ( 1.123 -1.294 4.324) 4.651 8.303 ( 1.468 0.884 1.448) 2.244 8.438 ( -0.160 3.470 1.174) 3.667 8.522 ( -0.781 1.904 -1.856) 2.771 8.598 ( 3.002 -0.644 0.438) 3.101 8.665 ( -0.638 -0.842 2.390) 2.613 10.433 ( -0.876 20.426 2.318) 20.576 10.521 ( 2.441 19.128 -5.062) 19.937 11.927 ( 2.784 -4.073 -3.828) 6.244 12.105 ( -2.461 -5.734 2.458) 6.706 12.374 ( 0.014 -0.449 5.797) 5.815 13.079 ( -4.941 13.913 8.193) 16.885 13.274 ( 2.420 4.885 -9.651) 11.084 13.463 ( -8.068 10.196 6.832) 14.687 13.482 ( 3.750 12.576 -10.012) 16.506 13.881 ( -2.678 -4.314 12.658) 13.638 13.981 ( 6.133 6.703 -5.989) 10.882 14.380 ( 2.900 -16.852 -11.395) 20.549 15.181 ( 3.313 0.429 1.367) 3.610 15.269 ( 4.750 2.770 1.299) 5.650 15.691 ( -3.400 0.057 8.291) 8.961 15.756 ( -2.184 -1.079 1.283) 2.753 15.847 ( -7.172 2.698 -2.428) 8.038 15.937 ( -4.820 7.196 4.585) 9.800 16.165 ( -2.542 0.268 -2.606) 3.650 16.204 ( -1.411 1.872 -4.906) 5.437 17.177 ( 10.861 5.525 6.010) 13.587 17.230 ( 0.427 -2.341 -0.601) 2.454 17.283 ( 1.496 -0.545 -1.796) 2.400 17.469 ( 1.053 -8.888 -0.522) 8.965 17.587 ( -2.089 -6.741 -2.915) 7.636 17.912 ( -7.142 -4.297 -0.517) 8.351 18.115 ( 3.940 -5.484 -0.293) 6.759 18.309 ( 1.892 -11.491 1.329) 11.721 ======================= Grid point 135 (69/80) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 9.211 19.360 -1.386) 21.484 1.354 ( -6.157 11.762 -6.787) 14.911 1.581 ( 13.856 13.818 13.764) 23.924 1.809 ( -9.437 7.251 -7.473) 14.052 1.877 ( 5.593 1.445 -1.111) 5.883 1.953 ( -3.808 4.625 -7.117) 9.303 2.115 ( 3.974 2.636 4.507) 6.562 2.194 ( -6.899 5.977 -4.442) 10.151 2.303 ( 2.717 -4.576 4.611) 7.041 2.347 ( -5.389 1.071 3.968) 6.777 2.378 ( -4.711 -9.221 -1.523) 10.466 2.418 ( 6.099 -0.946 -5.225) 8.087 2.541 ( -3.268 2.144 3.590) 5.307 2.652 ( 1.766 -3.337 -5.787) 6.910 2.745 ( -6.887 0.011 1.165) 6.985 2.784 ( 6.825 3.579 -1.060) 7.779 2.848 ( 7.120 -6.300 6.990) 11.800 2.978 ( -5.897 -0.501 -2.797) 6.546 3.118 ( -4.234 7.834 4.171) 9.833 3.176 ( 0.038 1.426 9.946) 10.047 3.218 ( -0.987 5.191 -3.326) 6.244 3.386 ( 1.877 -1.019 -8.413) 8.680 3.639 ( -2.297 4.598 5.171) 7.291 3.653 ( 2.686 0.770 4.936) 5.672 3.689 ( 0.477 -0.857 2.096) 2.314 3.756 ( -1.102 5.027 -0.689) 5.192 3.807 ( -0.297 -5.705 -0.060) 5.713 3.893 ( 1.488 -3.032 -2.258) 4.062 4.003 ( 2.880 6.474 -4.910) 8.621 4.022 ( -0.902 5.429 -4.813) 7.311 4.106 ( 0.893 1.941 0.566) 2.210 4.150 ( 0.015 2.223 -2.694) 3.492 4.237 ( -4.101 2.397 10.015) 11.084 4.338 ( -2.083 0.740 -0.232) 2.222 4.424 ( 3.222 0.885 -2.547) 4.201 4.475 ( 2.412 1.853 -5.821) 6.567 4.648 ( 0.209 -0.835 6.538) 6.595 4.670 ( -0.608 -0.137 4.500) 4.542 4.732 ( -1.777 -1.633 0.416) 2.448 4.787 ( 1.190 -2.251 -3.750) 4.533 4.865 ( -2.793 -1.599 0.518) 3.260 4.904 ( 3.796 -0.135 -2.022) 4.303 4.997 ( 2.159 3.138 -2.545) 4.581 5.051 ( -3.105 1.813 -5.763) 6.793 5.102 ( 2.391 -2.922 1.781) 4.175 5.168 ( -3.525 -3.854 -3.380) 6.221 5.513 ( -0.827 -6.821 1.895) 7.127 5.547 ( 0.218 -8.104 -2.249) 8.413 5.723 ( 1.005 -1.663 4.114) 4.550 5.779 ( 1.432 -2.105 -1.286) 2.852 6.050 ( 0.134 0.417 2.704) 2.739 6.072 ( -0.666 0.534 1.367) 1.612 6.278 ( -0.453 2.506 4.138) 4.859 6.361 ( 1.497 1.976 -3.784) 4.524 6.491 ( -2.291 4.711 4.847) 7.137 6.570 ( -2.051 1.345 -2.461) 3.474 6.589 ( 1.831 -0.099 5.539) 5.834 6.733 ( 2.675 -1.038 -4.342) 5.204 6.816 ( -0.656 -1.109 0.089) 1.291 6.870 ( -2.283 0.029 -2.762) 3.584 6.984 ( 3.334 -3.656 3.884) 6.290 7.063 ( 0.949 -1.996 -4.090) 4.649 7.196 ( -1.126 -0.713 1.685) 2.148 7.216 ( 1.362 -1.265 2.884) 3.431 7.227 ( -3.041 -2.020 -1.986) 4.156 7.314 ( 0.619 -2.242 -5.576) 6.042 7.628 ( -0.204 -0.763 0.110) 0.798 7.646 ( 0.761 -1.801 -1.693) 2.587 7.775 ( 1.561 1.682 1.368) 2.672 7.791 ( -2.280 1.186 -0.007) 2.570 7.914 ( -1.323 0.520 2.187) 2.608 7.937 ( 2.825 0.640 -0.178) 2.901 8.008 ( 0.207 3.134 3.038) 4.370 8.091 ( -1.211 4.133 -5.438) 6.937 8.211 ( -0.604 -1.074 5.422) 5.560 8.292 ( -0.700 -1.230 -2.759) 3.101 8.511 ( -1.243 2.289 1.912) 3.231 8.553 ( 1.465 2.907 -2.155) 3.904 8.610 ( -1.525 -1.315 2.602) 3.290 8.653 ( 1.628 -0.352 -1.686) 2.370 10.880 ( -1.481 22.533 2.176) 22.686 10.932 ( 1.765 21.178 -3.193) 21.490 11.898 ( 4.194 -6.663 1.205) 7.965 11.913 ( -3.829 -7.201 -0.151) 8.157 12.621 ( 9.410 3.421 10.711) 14.662 12.893 ( -10.221 -2.321 -16.610) 19.640 13.257 ( -9.599 -0.784 7.310) 12.090 13.427 ( 3.102 -5.099 -8.405) 10.309 13.905 ( 2.214 13.282 8.718) 16.041 13.988 ( -12.898 6.375 4.900) 15.199 14.093 ( 9.554 3.598 -0.551) 10.224 14.260 ( 12.450 10.272 -9.316) 18.636 15.398 ( 7.505 1.215 2.560) 8.023 15.431 ( -7.206 -4.646 0.549) 8.592 15.530 ( 2.751 0.494 3.444) 4.435 15.588 ( -4.246 0.272 -2.037) 4.718 15.906 ( 2.014 2.168 5.102) 5.898 15.999 ( -7.584 -1.160 0.883) 7.723 16.035 ( 0.458 -0.309 -0.281) 0.620 16.120 ( -1.801 -2.288 -4.160) 5.078 17.211 ( -1.859 -0.983 2.817) 3.515 17.261 ( -0.049 0.431 -2.192) 2.234 17.360 ( -2.079 -5.998 1.540) 6.532 17.418 ( 3.771 -4.579 -4.422) 7.398 17.628 ( -8.732 0.064 0.496) 8.746 17.644 ( 11.392 4.284 -1.074) 12.218 18.032 ( -7.134 -10.780 3.045) 13.281 18.089 ( 8.053 -6.814 -2.846) 10.927 ======================= Grid point 136 (70/80) ======================= q-point: ( 0.17 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -4.338 10.728 -7.186) 13.621 1.460 ( 2.144 13.726 -4.788) 14.694 1.511 ( 0.885 14.063 -6.435) 15.490 1.707 ( -11.204 4.166 -3.981) 12.598 1.916 ( 3.480 7.239 4.402) 9.159 1.954 ( 0.474 0.569 1.351) 1.541 2.005 ( -6.968 -0.718 0.856) 7.057 2.155 ( -12.608 1.173 1.469) 12.747 2.242 ( -0.518 0.200 3.573) 3.616 2.376 ( 6.597 -1.630 0.526) 6.816 2.412 ( -0.852 2.205 -0.045) 2.364 2.437 ( 1.756 -4.954 0.247) 5.262 2.485 ( -4.054 1.178 4.034) 5.839 2.585 ( -5.270 -3.242 -0.448) 6.204 2.694 ( -0.941 -6.946 2.312) 7.380 2.793 ( -2.727 -0.233 -2.512) 3.716 2.924 ( 7.104 5.268 -4.553) 9.948 3.082 ( 5.813 -2.533 -0.177) 6.343 3.123 ( -0.465 5.183 9.328) 10.681 3.245 ( 3.034 2.589 1.342) 4.208 3.284 ( 1.231 5.154 3.319) 6.253 3.348 ( 3.635 0.130 -4.568) 5.839 3.583 ( -5.216 2.237 -0.966) 5.757 3.643 ( -2.988 -0.290 -2.495) 3.903 3.713 ( -0.862 2.310 3.601) 4.364 3.754 ( -1.306 6.212 0.969) 6.421 3.809 ( 0.774 -3.577 -1.055) 3.809 3.906 ( 4.065 1.494 -3.531) 5.588 3.999 ( 2.290 6.239 -4.231) 7.879 4.052 ( 3.704 3.593 2.109) 5.575 4.072 ( -1.523 3.743 -1.947) 4.485 4.140 ( -1.464 -0.041 2.025) 2.499 4.283 ( -2.953 1.832 6.309) 7.203 4.316 ( 1.734 1.392 2.860) 3.623 4.385 ( -2.656 3.983 -5.176) 7.051 4.455 ( 1.517 -1.479 -4.631) 5.093 4.624 ( -4.345 -2.697 1.601) 5.359 4.682 ( -1.159 -0.328 -2.735) 2.988 4.773 ( 2.960 -2.460 5.087) 6.379 4.804 ( 2.418 -2.675 -1.286) 3.828 4.821 ( -2.646 -0.124 0.350) 2.672 4.939 ( 1.226 1.859 -2.232) 3.153 4.973 ( 1.173 -2.047 -2.229) 3.246 5.074 ( -0.104 1.993 -1.728) 2.640 5.085 ( 3.865 -0.092 3.937) 5.518 5.204 ( 2.423 -4.338 3.547) 6.105 5.496 ( -2.097 -3.669 0.704) 4.284 5.536 ( -0.170 -8.189 -0.729) 8.223 5.728 ( -0.945 -1.003 0.994) 1.699 5.742 ( -3.058 -0.682 -4.692) 5.641 5.993 ( -4.674 1.664 0.028) 4.962 6.100 ( 0.558 -2.479 0.914) 2.700 6.342 ( 0.765 1.283 -3.096) 3.438 6.351 ( 4.960 0.727 2.634) 5.662 6.529 ( 1.412 3.800 2.400) 4.711 6.566 ( -0.837 4.813 2.230) 5.370 6.642 ( -0.237 -1.572 -3.896) 4.208 6.689 ( 0.098 0.979 -1.853) 2.098 6.822 ( 1.122 -3.513 1.750) 4.082 6.898 ( 3.418 0.654 3.393) 4.861 6.979 ( -3.306 -3.300 -7.813) 9.103 7.029 ( -0.157 -1.856 -0.650) 1.973 7.182 ( -0.285 -2.537 0.934) 2.718 7.219 ( -1.625 -1.807 5.201) 5.741 7.256 ( -0.689 -3.971 -2.275) 4.628 7.278 ( 3.067 -0.952 0.137) 3.215 7.577 ( -1.903 1.107 -0.544) 2.268 7.695 ( 1.947 -2.008 -0.553) 2.851 7.748 ( -1.321 1.184 0.654) 1.891 7.823 ( 1.638 1.696 0.604) 2.434 7.884 ( -2.290 1.957 -1.335) 3.295 7.965 ( -0.049 -1.386 -1.459) 2.013 8.014 ( -0.585 1.787 0.370) 1.916 8.090 ( 3.035 5.390 1.558) 6.379 8.199 ( -3.916 -1.391 0.645) 4.205 8.286 ( 0.885 -1.270 1.550) 2.191 8.500 ( -1.096 2.513 1.504) 3.127 8.563 ( 0.790 2.656 -1.463) 3.133 8.592 ( -1.062 0.369 0.932) 1.460 8.681 ( 2.069 -0.483 -1.449) 2.572 10.867 ( -2.288 22.462 2.591) 22.727 10.932 ( 1.636 21.324 -3.230) 21.629 11.815 ( -4.612 -5.812 -0.784) 7.461 11.994 ( 3.654 -8.388 -0.433) 9.160 12.507 ( -8.488 -1.381 -7.691) 11.537 13.006 ( 1.571 -5.883 10.852) 12.444 13.153 ( 3.744 2.647 8.246) 9.435 13.554 ( 3.391 8.854 9.061) 13.115 13.766 ( -5.371 -3.670 -10.039) 11.962 13.891 ( -5.868 5.393 4.353) 9.081 14.294 ( 13.125 9.959 -7.959) 18.297 14.432 ( 15.265 18.233 -13.782) 27.484 15.227 ( -7.611 0.397 -1.501) 7.767 15.370 ( -9.655 2.947 -1.722) 10.241 15.639 ( 5.050 -5.183 4.664) 8.610 15.664 ( 4.806 -1.994 4.117) 6.636 15.861 ( -3.729 -3.945 -2.432) 5.948 15.981 ( -2.622 -5.660 2.922) 6.888 16.127 ( 6.136 1.885 2.645) 6.942 16.140 ( 3.609 3.609 5.289) 7.350 17.105 ( -16.450 -7.029 3.487) 18.225 17.181 ( -7.181 -5.785 1.010) 9.276 17.303 ( 1.786 1.839 -2.309) 3.450 17.414 ( -2.657 0.365 -2.769) 3.855 17.469 ( 1.492 -2.527 -0.079) 2.936 17.901 ( 3.810 -3.418 0.573) 5.150 17.935 ( 2.015 -4.011 -0.013) 4.489 18.198 ( 5.973 -5.751 -4.945) 9.654 ======================= Grid point 137 (71/80) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 3.482 6.771 -6.011) 9.701 1.433 ( 6.500 9.820 -0.297) 11.780 1.475 ( -7.821 5.148 -4.246) 10.281 1.646 ( 6.879 12.137 -1.500) 14.031 1.801 ( -11.907 -6.561 2.203) 13.772 1.920 ( -0.455 0.735 1.313) 1.572 1.957 ( -3.008 -0.505 4.414) 5.365 2.095 ( 0.878 4.216 2.248) 4.858 2.233 ( -3.431 0.477 1.999) 4.000 2.272 ( -6.941 1.175 -5.101) 8.694 2.388 ( -2.331 1.026 -2.492) 3.563 2.473 ( -4.410 -2.545 2.686) 5.757 2.486 ( -0.936 -5.969 5.293) 8.032 2.601 ( 5.920 1.089 5.478) 8.139 2.732 ( 3.536 -4.804 2.224) 6.366 2.819 ( 0.860 0.427 1.929) 2.155 2.958 ( 0.830 1.407 -4.469) 4.758 3.086 ( -1.199 4.182 -5.738) 7.201 3.147 ( -0.878 -3.053 -8.417) 8.997 3.178 ( -7.318 -1.795 -4.440) 8.746 3.297 ( 0.049 5.746 1.675) 5.985 3.419 ( -3.177 7.562 7.196) 10.911 3.485 ( -0.448 0.862 -2.261) 2.461 3.628 ( 1.159 0.208 5.134) 5.267 3.720 ( -1.999 4.020 0.366) 4.505 3.752 ( 2.129 5.951 0.674) 6.356 3.818 ( 3.730 1.603 -4.764) 6.259 3.953 ( 2.797 0.742 -2.064) 3.554 4.020 ( 2.985 5.881 -1.501) 6.763 4.057 ( -0.712 3.305 0.401) 3.404 4.119 ( 1.414 4.059 -0.044) 4.298 4.158 ( 2.375 0.473 2.016) 3.151 4.264 ( -1.938 6.389 1.008) 6.752 4.294 ( -2.883 0.864 0.446) 3.042 4.412 ( 4.097 0.576 1.740) 4.489 4.470 ( 2.099 -1.066 -0.147) 2.358 4.563 ( -1.510 -0.853 -1.003) 2.003 4.623 ( -1.664 -1.175 -2.422) 3.165 4.728 ( -4.292 -2.440 -1.847) 5.271 4.835 ( 1.598 -1.985 -0.654) 2.630 4.866 ( 0.300 0.795 2.912) 3.034 4.953 ( 1.647 -2.015 1.076) 2.817 5.035 ( 4.269 -4.026 1.937) 6.179 5.112 ( 3.330 3.660 2.549) 5.566 5.151 ( -2.362 -4.354 4.153) 6.464 5.299 ( 4.771 1.477 3.370) 6.025 5.416 ( -9.417 2.118 -3.329) 10.210 5.457 ( -0.723 -2.707 -2.680) 3.877 5.671 ( 1.331 -3.637 -3.158) 4.997 5.784 ( 2.916 -1.196 2.003) 3.735 5.929 ( -2.555 0.156 1.856) 3.162 6.090 ( -0.431 -4.017 -2.021) 4.518 6.322 ( -0.330 1.838 -1.699) 2.525 6.443 ( -2.517 0.153 -0.037) 2.522 6.482 ( 1.256 3.985 -5.997) 7.309 6.587 ( 3.546 1.745 -0.430) 3.976 6.667 ( 1.939 -2.211 3.300) 4.420 6.691 ( -0.904 0.625 1.951) 2.239 6.795 ( -4.672 -0.818 -5.340) 7.143 6.893 ( -0.078 -2.426 0.729) 2.534 6.955 ( -0.804 -1.616 3.851) 4.253 7.042 ( 4.592 -2.377 -3.185) 6.073 7.149 ( -1.398 -5.325 -2.429) 6.017 7.205 ( -4.203 -3.923 1.560) 5.957 7.295 ( 4.188 -1.132 2.972) 5.259 7.376 ( 4.790 -1.420 2.712) 5.685 7.550 ( -0.887 2.309 -0.149) 2.478 7.688 ( -1.015 1.383 -1.079) 2.027 7.761 ( 0.243 -0.728 1.415) 1.610 7.814 ( -2.345 1.554 -2.338) 3.658 7.840 ( 0.711 1.572 -1.345) 2.188 7.915 ( -2.435 -0.895 -1.343) 2.921 8.040 ( 0.195 -0.113 2.309) 2.320 8.115 ( -1.397 -1.311 -2.247) 2.953 8.172 ( 0.773 3.695 3.568) 5.194 8.305 ( -0.015 -0.755 -0.161) 0.772 8.509 ( 0.168 2.871 1.697) 3.339 8.558 ( -0.677 1.724 0.856) 2.040 8.597 ( 1.134 3.204 -0.302) 3.412 8.690 ( 0.597 0.601 -1.914) 2.093 10.849 ( -2.522 21.602 3.123) 21.972 10.928 ( 1.749 20.824 -4.111) 21.298 11.741 ( -2.840 -6.606 0.983) 7.258 11.972 ( -1.518 -11.630 -7.725) 14.045 12.439 ( 3.616 1.472 4.187) 5.725 13.033 ( -4.855 -10.265 15.958) 19.585 13.238 ( -8.842 7.856 -5.739) 13.146 13.634 ( -3.857 -0.325 -7.436) 8.383 13.732 ( 10.480 5.937 13.332) 17.967 13.955 ( 7.113 7.679 5.762) 11.948 14.392 ( 6.746 17.270 -10.751) 21.432 14.543 ( 12.184 21.395 -16.194) 29.469 15.157 ( 1.111 -0.023 2.643) 2.868 15.263 ( -0.360 1.331 1.337) 1.920 15.686 ( -4.148 -4.707 7.740) 9.963 15.741 ( -2.415 -1.434 -5.794) 6.438 15.801 ( -1.512 -5.836 5.898) 8.434 15.918 ( -5.509 -5.972 -0.734) 8.158 16.126 ( -5.434 -6.095 -9.296) 12.373 16.184 ( -1.876 -3.714 -5.305) 6.742 16.891 ( -7.099 -1.228 13.276) 15.104 17.158 ( 0.509 -5.604 7.386) 9.286 17.320 ( 2.313 0.860 -4.002) 4.702 17.403 ( 0.956 -2.090 -2.537) 3.423 17.533 ( 4.093 -1.860 7.390) 8.650 17.858 ( -4.490 -7.924 6.262) 11.053 18.055 ( 6.435 1.101 -6.329) 9.093 18.187 ( 0.419 -3.419 -9.412) 10.023 ======================= Grid point 138 (72/80) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 11.184 2.266 -2.644) 11.714 1.251 ( -6.560 9.132 -7.894) 13.739 1.623 ( -4.446 -0.071 3.160) 5.455 1.665 ( 7.871 2.342 -1.177) 8.296 1.806 ( 9.190 3.190 6.273) 11.575 1.895 ( -6.198 4.797 -2.406) 8.198 2.013 ( 5.534 -4.572 3.909) 8.173 2.054 ( -8.655 2.973 0.772) 9.183 2.143 ( 0.205 2.241 0.879) 2.416 2.220 ( -1.554 2.162 -7.091) 7.575 2.358 ( 1.792 -5.057 3.789) 6.569 2.422 ( 0.218 -1.698 -0.839) 1.907 2.584 ( 2.354 1.937 7.372) 7.978 2.718 ( -4.711 1.900 -2.781) 5.792 2.756 ( 3.938 1.546 5.696) 7.096 2.829 ( 0.122 -1.153 -0.200) 1.176 2.897 ( -2.439 -0.548 4.435) 5.091 2.955 ( -3.386 -2.746 -6.703) 7.996 3.000 ( -2.362 -3.095 -8.261) 9.132 3.047 ( 0.390 -0.333 -8.640) 8.655 3.355 ( -1.170 3.901 6.892) 8.006 3.384 ( -1.670 9.107 3.974) 10.075 3.549 ( 1.157 1.131 4.618) 4.893 3.613 ( -4.151 0.434 -0.536) 4.208 3.699 ( -1.088 1.973 0.791) 2.388 3.769 ( 1.571 6.915 -3.587) 7.946 3.882 ( 2.550 1.835 1.560) 3.507 3.959 ( 1.033 -0.725 -5.484) 5.627 4.013 ( -2.286 5.955 0.632) 6.410 4.067 ( 4.007 5.750 -4.311) 8.228 4.141 ( -0.686 -0.885 2.337) 2.592 4.182 ( 0.290 -2.498 -1.257) 2.811 4.297 ( 0.109 7.507 3.031) 8.097 4.306 ( 3.814 3.172 1.629) 5.221 4.434 ( -3.466 4.235 -1.384) 5.644 4.493 ( 1.133 2.972 -1.771) 3.640 4.530 ( -0.098 -1.638 0.979) 1.911 4.575 ( 0.115 -1.811 -4.341) 4.706 4.724 ( 1.174 -1.059 6.047) 6.250 4.835 ( -0.510 -1.826 -4.650) 5.022 4.884 ( -1.018 1.411 5.174) 5.459 4.966 ( 0.207 -0.063 -2.822) 2.830 5.099 ( -3.306 -3.972 2.524) 5.751 5.132 ( 2.857 -3.743 -0.375) 4.724 5.242 ( 3.260 -1.102 6.090) 6.995 5.261 ( -2.325 2.178 1.613) 3.571 5.394 ( 3.296 0.584 -1.991) 3.895 5.429 ( -0.573 -1.260 -3.622) 3.878 5.688 ( -0.019 -0.305 2.175) 2.196 5.761 ( -1.182 2.208 -5.005) 5.597 5.953 ( -0.116 -3.109 5.440) 6.266 6.057 ( -0.549 -2.518 -4.455) 5.147 6.315 ( 0.256 -0.388 4.622) 4.645 6.390 ( -1.848 -0.620 -0.917) 2.154 6.477 ( 0.369 1.214 -1.223) 1.763 6.530 ( -2.633 -3.079 -7.583) 8.597 6.673 ( -0.656 3.880 3.178) 5.058 6.718 ( 1.798 3.801 -1.571) 4.489 6.807 ( -0.028 -1.173 2.375) 2.649 6.856 ( 2.245 -2.455 -2.681) 4.272 6.987 ( -3.533 -4.039 7.360) 9.108 7.091 ( -3.877 -4.999 0.187) 6.329 7.118 ( 4.749 -3.875 -4.304) 7.489 7.138 ( 1.559 -3.991 -2.659) 5.042 7.404 ( 2.463 -1.372 3.644) 4.607 7.449 ( -0.818 -2.107 -1.128) 2.526 7.560 ( 2.574 3.709 2.791) 5.307 7.637 ( -1.533 2.539 -4.325) 5.244 7.753 ( -1.955 0.360 2.006) 2.824 7.784 ( 0.926 0.718 -1.782) 2.133 7.845 ( 0.076 -1.403 0.323) 1.441 7.865 ( -0.190 -0.149 -1.484) 1.503 8.047 ( -1.779 -0.247 2.487) 3.068 8.087 ( 0.498 -1.044 -1.412) 1.826 8.222 ( 0.641 2.211 3.500) 4.189 8.284 ( -0.663 0.414 -2.276) 2.406 8.534 ( 0.237 2.648 1.812) 3.217 8.546 ( -0.891 2.439 0.268) 2.611 8.626 ( 0.770 3.202 1.268) 3.529 8.669 ( -0.013 1.859 -2.773) 3.338 10.840 ( -1.748 20.917 3.558) 21.289 10.921 ( 2.246 20.076 -4.715) 20.744 11.737 ( -0.116 -8.126 4.087) 9.096 11.857 ( -0.858 -10.649 -8.168) 13.449 12.662 ( 9.235 0.812 12.369) 15.458 12.917 ( -10.452 3.149 -13.093) 17.047 13.171 ( 0.390 -6.930 17.397) 18.731 13.466 ( -3.124 -2.314 -10.959) 11.628 13.997 ( 1.796 12.086 9.832) 15.683 14.145 ( -1.131 15.739 17.037) 23.222 14.339 ( 2.124 20.696 -17.045) 26.896 14.563 ( 7.654 19.701 -19.492) 28.752 15.345 ( 11.173 -2.591 8.013) 13.991 15.379 ( 6.757 -2.160 6.808) 9.833 15.508 ( -12.698 -1.965 -6.337) 14.327 15.547 ( -10.974 -1.241 -6.958) 13.053 15.785 ( -5.887 -7.856 9.357) 13.562 15.865 ( -1.260 -9.325 9.773) 13.567 15.978 ( 1.382 -7.664 -8.886) 11.815 16.061 ( -0.483 -7.351 -8.826) 11.497 17.017 ( 1.804 0.729 13.263) 13.405 17.223 ( 1.953 -0.094 -5.547) 5.881 17.322 ( 0.706 -2.201 1.572) 2.795 17.383 ( 0.092 -1.928 -2.995) 3.563 17.759 ( 6.691 -5.464 13.117) 15.706 17.868 ( -3.113 -5.358 9.158) 11.057 18.002 ( -4.449 -0.198 -10.132) 11.067 18.082 ( 2.162 -2.233 -12.218) 12.607 ======================= Grid point 139 (73/80) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -0.638 14.668 -6.441) 16.032 1.434 ( 12.587 -0.367 -1.584) 12.692 1.495 ( -7.632 11.536 -4.646) 14.591 1.675 ( -6.950 7.225 -4.341) 10.924 1.854 ( 10.766 -1.350 -3.017) 11.262 1.941 ( -2.445 0.118 -0.231) 2.459 2.010 ( 5.020 -2.785 -0.067) 5.741 2.111 ( -0.988 0.541 1.836) 2.154 2.139 ( 1.422 0.245 4.744) 4.959 2.228 ( 6.402 4.207 3.292) 8.338 2.380 ( 1.382 2.578 -0.987) 3.087 2.492 ( 2.840 -0.535 -0.867) 3.017 2.618 ( 3.475 -4.390 -3.523) 6.616 2.706 ( -4.480 -1.732 -5.477) 7.285 2.750 ( -2.664 -1.849 -0.911) 3.368 2.848 ( -3.534 -1.557 4.725) 6.102 2.908 ( 6.760 -0.086 0.933) 6.825 2.958 ( -1.833 4.675 3.579) 6.166 2.968 ( 1.337 -0.665 4.358) 4.606 3.066 ( 6.955 -3.682 4.119) 8.882 3.314 ( -3.862 5.860 1.976) 7.291 3.439 ( -4.722 1.317 3.676) 6.127 3.500 ( 1.957 4.487 1.234) 5.048 3.647 ( -0.129 1.064 3.663) 3.817 3.662 ( -3.883 4.089 2.532) 6.182 3.768 ( 1.385 3.566 -2.902) 4.801 3.888 ( -0.394 -2.130 -8.681) 8.947 3.905 ( -1.103 2.540 3.340) 4.339 4.015 ( 1.047 6.201 -2.858) 6.908 4.057 ( -1.029 2.590 1.469) 3.151 4.151 ( -0.499 0.294 -1.756) 1.849 4.198 ( 0.967 3.108 -3.542) 4.810 4.238 ( -1.808 2.016 -1.512) 3.102 4.366 ( 0.356 6.040 0.521) 6.073 4.399 ( 0.959 1.047 1.724) 2.234 4.500 ( -2.211 0.219 -0.975) 2.427 4.512 ( 0.205 2.692 0.551) 2.755 4.593 ( 1.790 -1.277 -0.603) 2.280 4.740 ( -1.418 1.817 -1.817) 2.934 4.785 ( 0.183 -3.533 2.732) 4.470 4.921 ( -1.886 -1.279 3.288) 4.000 4.953 ( 1.962 2.494 -3.064) 4.411 5.051 ( -3.410 -3.968 0.104) 5.232 5.187 ( 1.968 -5.558 -1.326) 6.044 5.242 ( -0.020 -0.103 -4.464) 4.465 5.331 ( -0.805 -0.980 0.189) 1.283 5.375 ( 1.201 2.196 0.573) 2.568 5.429 ( 3.715 -0.960 -2.038) 4.345 5.619 ( -2.489 0.172 1.520) 2.921 5.809 ( 1.836 1.480 0.279) 2.375 5.976 ( -2.056 0.670 -1.184) 2.465 6.013 ( 0.311 -5.376 3.607) 6.482 6.313 ( -2.154 -0.591 -0.352) 2.261 6.387 ( -1.603 1.249 1.487) 2.518 6.439 ( -0.093 -2.171 2.128) 3.042 6.525 ( 0.651 0.027 3.283) 3.347 6.704 ( 2.468 1.630 1.482) 3.308 6.720 ( -3.898 -0.413 -1.505) 4.199 6.765 ( 3.137 1.836 -2.872) 4.632 6.932 ( 1.788 -2.311 -1.174) 3.149 6.968 ( -1.362 -2.231 3.643) 4.484 6.999 ( -4.150 -5.046 -0.262) 6.539 7.129 ( 1.738 -2.168 -1.612) 3.213 7.227 ( 4.534 -4.503 -0.754) 6.434 7.353 ( -3.688 -0.234 -2.561) 4.496 7.439 ( -1.319 -3.201 -2.376) 4.199 7.575 ( 0.428 3.367 -3.414) 4.814 7.652 ( 2.739 2.335 2.408) 4.331 7.746 ( -0.750 1.354 2.109) 2.616 7.806 ( 2.218 -0.616 -0.448) 2.345 7.822 ( -1.300 0.947 -0.176) 1.618 7.895 ( 1.864 -1.990 0.594) 2.791 8.034 ( -2.382 -0.327 2.551) 3.505 8.098 ( 1.445 -0.865 0.340) 1.718 8.241 ( -0.789 2.242 -3.366) 4.121 8.271 ( 0.975 0.807 2.932) 3.194 8.519 ( -1.253 3.132 0.201) 3.379 8.564 ( 0.279 1.438 1.664) 2.217 8.612 ( -1.306 2.620 -1.977) 3.532 8.664 ( 0.431 1.485 0.032) 1.547 10.854 ( -0.605 21.191 3.484) 21.484 10.922 ( 2.630 19.880 -4.449) 20.541 11.792 ( 1.182 -9.117 -2.827) 9.618 11.823 ( 2.791 -9.477 5.019) 11.081 12.590 ( -8.380 4.701 -10.032) 13.891 13.036 ( 13.666 1.012 12.584) 18.605 13.302 ( -0.959 -5.922 -5.702) 8.277 13.392 ( 3.230 -4.090 9.983) 11.261 13.993 ( -7.643 16.123 -1.051) 17.874 14.104 ( -9.398 16.018 -8.603) 20.467 14.229 ( -3.858 16.095 6.765) 17.880 14.410 ( -5.345 7.840 -13.707) 16.671 15.253 ( -2.637 2.899 -6.925) 7.957 15.318 ( -1.970 2.190 -4.179) 5.113 15.575 ( 0.154 -5.319 11.561) 12.727 15.668 ( 2.550 -3.567 9.438) 10.407 15.828 ( 2.708 -11.184 5.626) 12.809 15.973 ( 5.931 -4.246 -3.145) 7.943 16.008 ( 2.266 -4.079 -2.279) 5.193 16.015 ( 5.795 -6.495 9.063) 12.566 17.144 ( 1.022 -0.383 4.050) 4.195 17.170 ( 4.281 3.627 -9.875) 11.358 17.326 ( -1.394 -0.994 -3.128) 3.566 17.362 ( -0.045 -3.702 1.105) 3.863 17.748 ( -7.015 1.280 -12.867) 14.711 17.902 ( -5.102 -3.770 9.096) 11.090 17.984 ( 3.706 -7.332 7.453) 11.093 18.012 ( 1.862 -4.468 -6.201) 7.866 ======================= Grid point 140 (74/80) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 10.130 19.047 -2.628) 21.732 1.322 ( -2.156 16.724 3.059) 17.138 1.536 ( -5.292 11.232 -4.438) 13.185 1.678 ( 12.316 -0.950 -1.791) 12.482 1.969 ( 4.575 3.341 -1.618) 5.892 1.980 ( 4.214 -0.689 2.789) 5.100 1.999 ( -2.417 1.495 -1.396) 3.166 2.199 ( 7.882 -4.031 -4.064) 9.742 2.301 ( 4.575 1.415 0.862) 4.866 2.320 ( 0.572 7.347 7.039) 10.190 2.396 ( 0.712 -3.708 0.395) 3.797 2.487 ( -2.663 4.292 -5.147) 7.211 2.571 ( -4.418 -1.709 -2.666) 5.436 2.596 ( 3.606 -1.746 -5.051) 6.447 2.742 ( 2.313 -7.346 -1.452) 7.837 2.811 ( -3.276 2.817 3.897) 5.818 2.855 ( -4.907 -4.157 -5.279) 8.320 2.992 ( -2.137 3.160 5.397) 6.609 3.065 ( 0.234 0.941 9.196) 9.247 3.207 ( -1.843 4.265 6.149) 7.707 3.323 ( -1.985 -0.742 0.526) 2.183 3.405 ( -0.204 3.799 0.350) 3.820 3.550 ( 0.078 1.995 -1.844) 2.718 3.613 ( 3.208 1.856 4.497) 5.828 3.659 ( -3.991 0.698 4.126) 5.783 3.764 ( 0.406 2.050 -0.299) 2.112 3.825 ( 1.603 -2.003 -5.298) 5.886 3.922 ( -0.283 -0.261 -1.902) 1.941 3.988 ( 1.089 6.054 -2.168) 6.522 4.042 ( -0.616 4.826 -0.980) 4.963 4.108 ( 0.169 3.528 0.015) 3.533 4.182 ( -0.554 1.578 -1.830) 2.479 4.238 ( -1.233 2.954 2.359) 3.976 4.361 ( -1.904 2.230 -1.607) 3.343 4.408 ( 2.165 2.266 -2.760) 4.176 4.457 ( 1.327 0.617 -1.206) 1.896 4.564 ( 1.714 -0.073 5.395) 5.661 4.615 ( 0.968 -0.440 2.492) 2.709 4.754 ( -0.585 -1.878 1.665) 2.577 4.826 ( 3.482 -2.394 -0.066) 4.226 4.861 ( -4.071 -0.358 -1.938) 4.522 4.942 ( -3.145 -1.239 -1.145) 3.569 4.994 ( 1.428 -1.229 -2.361) 3.020 5.108 ( -2.000 3.145 -7.003) 7.933 5.195 ( -2.450 -3.684 -5.798) 7.293 5.248 ( -3.166 -1.217 -1.271) 3.623 5.463 ( 3.141 -2.113 3.819) 5.377 5.529 ( 3.986 -4.040 0.767) 5.727 5.669 ( 3.045 -2.500 2.489) 4.660 5.755 ( -1.901 -1.924 -2.387) 3.607 5.981 ( 2.497 1.545 1.711) 3.398 6.062 ( -0.664 -1.933 4.543) 4.981 6.277 ( -2.495 1.132 2.261) 3.553 6.390 ( -3.056 1.178 0.658) 3.341 6.457 ( 1.941 1.157 5.670) 6.104 6.535 ( -1.627 1.964 1.445) 2.932 6.650 ( -1.614 1.377 -2.872) 3.571 6.762 ( -1.108 -1.865 -3.036) 3.731 6.826 ( 4.947 -1.521 6.084) 7.988 6.862 ( -2.735 -2.603 -2.763) 4.679 6.947 ( -1.745 -3.037 -0.108) 3.505 7.037 ( 4.273 -0.447 -1.705) 4.623 7.160 ( 1.179 -1.545 2.524) 3.185 7.223 ( -2.363 -2.760 -0.479) 3.665 7.320 ( -0.419 -0.722 -2.811) 2.933 7.347 ( -0.182 -1.385 -7.352) 7.483 7.586 ( 2.358 0.050 -1.073) 2.591 7.685 ( -0.693 -0.860 0.378) 1.167 7.762 ( 0.137 1.073 -1.048) 1.507 7.797 ( -0.790 3.433 2.983) 4.616 7.861 ( 2.786 0.254 1.068) 2.994 7.930 ( -0.090 -2.211 1.644) 2.757 8.001 ( -2.414 1.769 1.730) 3.457 8.143 ( 1.276 -0.265 0.504) 1.397 8.187 ( -1.129 2.907 -2.280) 3.863 8.308 ( 0.807 -0.470 0.149) 0.946 8.507 ( -0.481 3.050 0.933) 3.225 8.567 ( -0.986 2.513 -1.059) 2.899 8.589 ( 0.946 -0.319 0.468) 1.102 8.662 ( -0.840 0.150 0.252) 0.889 10.876 ( -0.544 22.008 2.643) 22.173 10.928 ( 2.261 20.413 -3.803) 20.887 11.815 ( 3.526 -7.340 -0.943) 8.197 11.934 ( 0.639 -10.670 5.610) 12.072 12.440 ( 1.184 6.819 -1.839) 7.161 13.225 ( -1.267 -6.903 -8.161) 10.764 13.284 ( -2.327 2.825 -1.926) 4.136 13.523 ( 1.480 -6.454 8.262) 10.588 13.770 ( -1.490 15.419 -10.463) 18.694 13.942 ( 0.946 10.733 1.493) 10.878 14.179 ( -10.578 6.819 4.653) 13.418 14.222 ( -4.045 6.919 2.638) 8.438 15.245 ( 6.340 5.835 -3.847) 9.436 15.356 ( 7.147 4.884 -0.710) 8.685 15.601 ( -8.120 -7.706 8.849) 14.270 15.672 ( -5.483 -5.641 4.948) 9.293 15.867 ( 1.972 -2.618 -3.179) 4.566 15.996 ( 1.109 -1.768 -0.819) 2.242 16.130 ( -0.262 -2.495 2.918) 3.848 16.175 ( 0.743 -3.408 1.984) 4.013 17.188 ( 1.876 -1.051 0.614) 2.236 17.246 ( 14.237 -0.853 -8.275) 16.489 17.283 ( 0.120 0.330 -1.531) 1.571 17.365 ( -0.019 -1.806 1.750) 2.515 17.538 ( -2.580 3.592 -7.334) 8.564 17.837 ( -9.746 -2.420 5.183) 11.301 17.999 ( 4.866 -6.148 -4.996) 9.298 18.086 ( -2.582 -9.811 6.588) 12.096 ======================= Grid point 141 (75/80) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -8.340 15.707 -0.520) 17.792 1.679 ( 7.965 16.444 -4.119) 18.730 1.838 ( 6.300 8.141 6.844) 12.362 1.881 ( 7.009 -0.761 4.217) 8.215 1.962 ( -2.850 -0.976 -3.167) 4.371 1.977 ( -5.502 1.790 -0.089) 5.787 2.101 ( 4.734 -9.987 4.192) 11.821 2.134 ( -2.796 -6.429 4.493) 8.327 2.198 ( 1.660 1.874 -2.547) 3.572 2.275 ( -1.095 1.216 -5.534) 5.771 2.341 ( 3.528 -4.092 -1.376) 5.575 2.434 ( -7.546 -1.128 -7.167) 10.468 2.501 ( -4.299 -0.571 0.874) 4.424 2.590 ( 2.485 -1.981 -5.292) 6.173 2.641 ( -2.659 -2.208 2.096) 4.042 2.747 ( -2.367 -6.098 -6.428) 9.171 2.946 ( 8.244 7.104 5.217) 12.069 3.013 ( 2.648 2.329 0.144) 3.530 3.202 ( 0.635 3.233 9.798) 10.338 3.250 ( 0.499 2.802 5.202) 5.930 3.322 ( -4.203 4.065 -1.036) 5.938 3.364 ( -4.388 -1.456 -5.946) 7.532 3.537 ( 1.055 -5.576 0.972) 5.758 3.606 ( 0.672 -8.649 -3.526) 9.365 3.699 ( -2.621 2.484 7.381) 8.217 3.730 ( -0.936 -0.280 7.007) 7.075 3.844 ( 1.047 3.182 -0.170) 3.354 3.890 ( 1.757 -0.767 -1.962) 2.743 4.087 ( 0.209 3.133 -0.408) 3.166 4.111 ( 1.785 2.059 -2.841) 3.937 4.182 ( -0.945 1.458 -3.463) 3.874 4.188 ( 0.428 2.726 -4.523) 5.298 4.291 ( -3.222 3.104 5.424) 7.031 4.346 ( -1.287 -1.220 -0.565) 1.861 4.495 ( 1.296 5.858 0.120) 6.001 4.547 ( 1.386 5.268 -1.453) 5.638 4.613 ( 0.852 -4.578 4.048) 6.171 4.652 ( -0.874 -2.802 1.587) 3.337 4.696 ( 0.570 -0.046 -1.164) 1.297 4.736 ( 0.235 -2.938 -5.987) 6.673 4.880 ( -0.600 2.037 1.970) 2.897 4.894 ( 2.192 -0.043 0.728) 2.310 4.988 ( 0.586 -2.610 -2.022) 3.353 5.002 ( 0.273 -3.226 -2.610) 4.158 5.182 ( 0.406 7.002 -1.366) 7.146 5.205 ( -3.315 6.530 -3.738) 8.222 5.361 ( 0.473 -7.863 -0.602) 7.900 5.380 ( -1.425 -7.835 -2.950) 8.493 5.712 ( 0.964 0.588 3.278) 3.467 5.739 ( 1.463 -1.784 0.677) 2.404 6.056 ( -0.291 0.430 2.391) 2.447 6.069 ( -0.754 -0.652 1.300) 1.638 6.329 ( 0.503 2.320 2.892) 3.741 6.367 ( 1.225 -1.173 -0.802) 1.876 6.545 ( -2.081 1.309 3.880) 4.593 6.558 ( -1.322 -0.023 5.368) 5.529 6.631 ( -1.948 1.352 -1.027) 2.584 6.681 ( 0.855 -3.482 -2.952) 4.645 6.834 ( 2.503 3.333 2.567) 4.895 6.905 ( 3.112 -2.213 -0.360) 3.836 6.957 ( 0.562 4.819 -0.768) 4.912 7.031 ( 0.352 -1.258 -4.493) 4.679 7.138 ( -1.087 -3.483 0.522) 3.686 7.147 ( 0.782 -3.822 -0.334) 3.915 7.241 ( -2.201 1.247 -1.406) 2.894 7.267 ( -0.621 -1.614 -3.726) 4.108 7.612 ( 1.267 -0.472 -0.775) 1.559 7.617 ( -0.305 -0.926 -1.270) 1.601 7.814 ( 0.081 1.735 1.129) 2.071 7.823 ( -1.118 1.208 0.414) 1.697 7.905 ( -0.134 -0.418 1.832) 1.884 7.921 ( 1.399 -1.555 0.375) 2.126 8.096 ( 0.061 4.338 4.279) 6.093 8.157 ( -0.024 -0.361 0.854) 0.927 8.200 ( -1.227 1.882 -0.373) 2.278 8.255 ( -0.811 -2.400 -3.097) 4.002 8.551 ( -1.555 1.699 2.398) 3.325 8.582 ( -1.203 -1.284 2.161) 2.786 8.607 ( 1.620 2.121 -2.211) 3.466 8.640 ( 1.716 -1.045 -2.691) 3.359 11.321 ( 0.024 19.808 1.523) 19.866 11.344 ( 0.541 18.467 -0.822) 18.493 11.690 ( 2.587 -13.632 1.513) 13.958 11.697 ( -1.389 -13.595 0.865) 13.693 12.752 ( 3.238 8.394 3.784) 9.760 12.875 ( -6.366 -1.450 -7.353) 9.833 13.136 ( -7.731 -4.272 -1.420) 8.946 13.229 ( 6.928 -11.002 -9.616) 16.171 14.140 ( -16.653 10.952 7.260) 21.213 14.211 ( -2.623 8.353 6.324) 10.800 14.250 ( 8.088 6.382 2.288) 10.554 14.366 ( 16.924 -1.090 -3.259) 17.269 15.344 ( -6.686 -1.133 9.886) 11.988 15.397 ( -2.285 -4.219 9.828) 10.937 15.543 ( 3.940 4.332 -6.566) 8.798 15.615 ( 2.181 -0.379 -8.337) 8.626 15.917 ( 6.760 0.484 1.261) 6.894 15.969 ( -0.653 -3.866 -1.786) 4.309 15.982 ( -4.567 0.331 -1.313) 4.764 16.043 ( -0.564 -4.599 -4.778) 6.656 17.198 ( -5.536 0.213 4.289) 7.007 17.227 ( -5.376 -2.416 2.022) 6.231 17.318 ( 3.039 0.530 -2.334) 3.868 17.348 ( 5.188 -2.341 -4.710) 7.387 17.679 ( -12.798 5.366 5.817) 15.047 17.780 ( 9.904 5.641 -3.486) 11.919 17.838 ( -6.642 -6.567 4.815) 10.508 17.946 ( 10.398 -7.293 -5.434) 13.814 ======================= Grid point 142 (76/80) ======================= q-point: ( 0.17 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -10.627 14.749 0.263) 18.181 1.686 ( -8.687 0.533 -1.568) 8.844 1.728 ( -11.216 4.749 -5.610) 13.409 1.847 ( 7.578 15.144 -0.571) 16.944 1.914 ( -10.405 -6.057 -1.710) 12.161 1.986 ( -8.205 5.164 3.977) 10.479 2.063 ( 2.606 2.220 -1.806) 3.870 2.143 ( 3.485 -7.030 3.109) 8.440 2.150 ( -7.109 -3.849 -7.402) 10.961 2.234 ( 2.010 -9.086 3.198) 9.841 2.357 ( -1.019 -0.163 1.733) 2.017 2.450 ( -3.252 -5.793 1.220) 6.754 2.484 ( -0.654 6.758 6.307) 9.267 2.576 ( 1.559 4.600 -2.105) 5.293 2.654 ( -0.336 -3.416 2.027) 3.986 2.709 ( 3.026 -5.671 -0.380) 6.439 3.003 ( 5.855 1.344 -5.546) 8.175 3.035 ( 1.119 0.389 -6.592) 6.698 3.248 ( -1.780 4.857 0.895) 5.249 3.288 ( -0.363 1.288 0.959) 1.647 3.350 ( 3.561 4.594 2.804) 6.454 3.412 ( 5.265 1.962 6.535) 8.619 3.540 ( -1.656 -5.313 -4.887) 7.406 3.559 ( -0.949 -5.927 3.271) 6.836 3.711 ( -0.265 2.567 3.672) 4.488 3.782 ( 1.801 -3.343 2.627) 4.618 3.868 ( 1.702 4.112 -3.340) 5.564 3.903 ( 1.849 0.086 -3.270) 3.758 4.093 ( 0.613 2.256 -2.561) 3.468 4.117 ( 1.777 0.052 -1.718) 2.473 4.155 ( -0.338 4.727 2.117) 5.191 4.177 ( 0.217 2.186 1.585) 2.709 4.305 ( -2.002 0.471 6.395) 6.718 4.326 ( 0.272 -0.954 0.872) 1.320 4.485 ( -1.170 5.022 -3.895) 6.462 4.520 ( -1.390 8.631 -0.855) 8.784 4.598 ( -3.019 -3.103 1.279) 4.514 4.650 ( -1.395 -0.824 -4.378) 4.668 4.683 ( -1.202 -4.781 3.558) 6.079 4.723 ( 2.239 -4.916 -2.070) 5.785 4.870 ( -1.047 2.292 0.067) 2.520 4.910 ( -0.247 -2.414 -1.627) 2.921 4.974 ( 1.126 1.297 -1.260) 2.130 5.022 ( 1.937 -3.765 0.098) 4.235 5.183 ( 1.970 7.297 1.217) 7.655 5.242 ( 3.828 5.718 3.505) 7.723 5.361 ( 1.389 -8.318 -0.125) 8.434 5.389 ( 1.630 -6.390 1.389) 6.740 5.728 ( 0.293 0.658 -1.394) 1.569 5.739 ( -1.767 -0.185 -3.198) 3.658 6.017 ( -4.060 1.032 0.394) 4.207 6.048 ( -2.232 -2.167 1.247) 3.352 6.357 ( 0.385 0.417 -1.728) 1.819 6.360 ( 1.874 0.144 0.398) 1.922 6.561 ( -0.057 0.377 2.276) 2.307 6.579 ( -0.642 -1.260 3.048) 3.360 6.671 ( 3.106 2.735 2.366) 4.767 6.729 ( 4.828 -2.245 0.123) 5.326 6.798 ( -4.501 4.694 -5.671) 8.629 6.890 ( -1.595 -3.070 -5.913) 6.851 6.958 ( 0.479 2.650 -2.124) 3.429 7.008 ( 0.649 -0.759 0.967) 1.390 7.109 ( -2.274 -2.649 0.457) 3.521 7.148 ( -0.709 -5.281 -0.470) 5.349 7.230 ( -0.130 1.440 3.349) 3.648 7.259 ( 1.498 -1.138 1.853) 2.641 7.602 ( 0.405 1.574 -0.912) 1.863 7.645 ( 2.013 -2.487 -0.309) 3.215 7.797 ( -1.186 2.868 0.631) 3.167 7.836 ( 0.012 -0.519 0.883) 1.025 7.911 ( 0.130 0.729 -1.032) 1.270 7.933 ( 0.189 -1.493 -1.365) 2.032 8.072 ( -3.322 3.668 0.181) 4.952 8.140 ( -2.878 -2.227 -0.618) 3.691 8.199 ( 0.663 2.887 2.205) 3.692 8.253 ( 1.002 -2.076 1.671) 2.847 8.547 ( -0.986 1.948 2.060) 3.002 8.575 ( -1.114 -0.731 1.462) 1.978 8.629 ( 2.631 2.236 -2.119) 4.051 8.665 ( 2.864 -1.223 -2.222) 3.826 11.300 ( -2.158 18.820 -0.093) 18.944 11.353 ( 0.728 19.409 -1.269) 19.464 11.635 ( -3.486 -11.632 -1.180) 12.200 11.742 ( 1.299 -15.752 -1.623) 15.889 12.572 ( -9.570 7.414 0.649) 12.123 12.784 ( -9.475 -12.467 6.934) 17.126 13.262 ( 17.289 7.987 2.822) 19.252 13.466 ( 17.012 -11.323 -3.456) 20.726 13.877 ( -14.100 10.380 4.075) 17.977 13.995 ( -13.639 0.149 4.591) 14.392 14.570 ( 19.435 13.182 -8.610) 25.012 14.687 ( 19.397 4.140 -9.191) 21.860 15.295 ( -6.402 6.492 5.762) 10.786 15.438 ( -5.282 0.546 8.506) 10.027 15.497 ( -2.495 -4.788 -3.501) 6.435 15.582 ( 0.671 -5.485 -1.580) 5.748 15.798 ( -2.655 -1.240 -5.945) 6.628 15.845 ( -4.397 -5.897 -1.615) 7.531 16.131 ( 6.945 -0.312 -0.782) 6.996 16.146 ( 5.899 -1.486 -0.974) 6.161 17.031 ( -16.632 0.010 8.662) 18.753 17.078 ( -12.321 -3.989 6.857) 14.653 17.341 ( 2.439 1.886 -3.236) 4.470 17.384 ( 2.369 -2.363 -3.915) 5.150 17.543 ( -5.711 7.589 5.728) 11.091 17.720 ( -6.804 -9.351 6.147) 13.097 17.992 ( 11.952 4.350 -6.329) 14.206 18.089 ( 9.544 -5.052 -7.206) 12.983 ======================= Grid point 143 (77/80) ======================= q-point: ( 0.33 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -5.016 11.654 1.341) 12.758 1.487 ( -8.085 -4.909 0.299) 9.463 1.643 ( 0.566 6.638 2.314) 7.052 1.712 ( -8.071 0.268 0.933) 8.129 1.875 ( -2.129 4.950 -2.327) 5.870 1.889 ( -3.736 3.016 -0.158) 4.805 2.050 ( -0.262 3.458 -2.160) 4.086 2.091 ( -2.026 -5.241 7.050) 9.015 2.187 ( -2.197 -3.699 3.016) 5.254 2.242 ( -4.034 2.944 -0.664) 5.038 2.327 ( 2.399 -5.501 -0.591) 6.031 2.378 ( -2.992 -3.094 0.348) 4.318 2.504 ( 1.500 2.099 1.780) 3.135 2.586 ( 2.883 -6.474 -1.308) 7.207 2.681 ( 2.119 6.017 1.737) 6.611 2.798 ( 1.474 -4.308 1.198) 4.708 2.994 ( 2.537 2.736 -5.403) 6.566 3.064 ( 1.642 -3.791 -5.248) 6.679 3.148 ( -5.247 2.257 -9.616) 11.184 3.179 ( -8.789 -0.159 -6.198) 10.756 3.395 ( -0.062 4.744 3.130) 5.684 3.483 ( 1.869 -2.359 0.081) 3.011 3.556 ( -0.581 4.145 6.685) 7.887 3.597 ( -1.720 -1.539 6.209) 6.624 3.778 ( 2.727 3.723 -2.095) 5.069 3.845 ( 2.264 3.783 -0.747) 4.471 3.873 ( 7.242 -0.203 -5.527) 9.112 3.892 ( 0.293 -3.926 -1.530) 4.224 4.079 ( -1.289 0.886 0.995) 1.853 4.120 ( 0.049 -0.701 0.424) 0.821 4.177 ( 0.255 3.187 -2.517) 4.069 4.197 ( -0.548 2.390 1.660) 2.962 4.340 ( 0.955 3.358 1.261) 3.712 4.365 ( 0.328 1.622 8.874) 9.027 4.446 ( 1.661 0.852 -1.579) 2.445 4.528 ( 1.920 8.413 0.557) 8.647 4.540 ( -2.681 -4.256 -0.346) 5.042 4.612 ( 0.430 3.086 -1.789) 3.593 4.672 ( -2.649 -3.108 3.079) 5.114 4.746 ( 2.278 -6.493 -2.565) 7.344 4.865 ( -0.749 -0.377 2.452) 2.592 4.891 ( -0.790 -3.355 0.498) 3.482 5.013 ( 3.008 1.217 1.264) 3.482 5.053 ( 0.682 -3.072 1.782) 3.617 5.238 ( 1.335 6.765 0.776) 6.939 5.343 ( 0.935 0.458 0.395) 1.113 5.380 ( 1.924 -2.072 0.082) 2.829 5.430 ( 0.497 -2.551 -1.640) 3.074 5.658 ( -0.826 2.965 -0.665) 3.149 5.740 ( 2.064 -3.639 2.445) 4.845 5.944 ( -3.785 2.068 -0.580) 4.352 6.009 ( -1.793 -3.815 -1.198) 4.382 6.359 ( 0.788 2.079 -1.274) 2.563 6.409 ( 0.791 -2.559 -0.359) 2.702 6.550 ( -1.235 1.653 -5.207) 5.601 6.576 ( -0.840 -1.382 -2.798) 3.232 6.687 ( 1.182 3.518 0.745) 3.785 6.744 ( -0.134 3.257 2.951) 4.397 6.761 ( -1.750 -2.244 -3.150) 4.245 6.824 ( 1.259 -3.705 3.128) 5.010 6.970 ( -0.426 1.968 -1.237) 2.363 7.013 ( 2.321 -1.062 -3.122) 4.033 7.059 ( -2.268 -1.980 -0.777) 3.109 7.108 ( -3.579 -4.787 0.797) 6.030 7.303 ( 3.485 1.466 3.768) 5.338 7.340 ( 3.743 -1.966 2.964) 5.164 7.609 ( 0.231 3.234 0.513) 3.283 7.672 ( 0.362 -2.658 0.394) 2.712 7.786 ( -0.928 2.430 0.786) 2.718 7.820 ( -1.588 -0.653 -0.489) 1.785 7.874 ( -1.687 1.412 -3.583) 4.205 7.899 ( -1.031 -0.895 -2.564) 2.904 8.046 ( -0.697 0.890 1.587) 1.949 8.078 ( -1.773 -2.019 -0.571) 2.747 8.236 ( 0.395 2.524 2.030) 3.263 8.279 ( 0.089 -1.697 0.891) 1.919 8.558 ( -0.159 1.764 2.104) 2.750 8.576 ( -0.422 0.031 1.581) 1.636 8.659 ( 2.306 2.464 -1.539) 3.709 8.691 ( 1.898 -0.671 -1.992) 2.832 11.258 ( -2.121 17.591 0.384) 17.722 11.334 ( -0.015 18.447 -3.575) 18.790 11.563 ( -2.652 -10.906 -0.510) 11.235 11.696 ( -1.533 -15.368 -5.737) 16.475 12.539 ( 0.487 8.280 9.459) 12.580 12.766 ( -2.893 -13.416 13.946) 19.567 13.377 ( -6.229 6.113 -13.257) 15.872 13.507 ( -1.154 -6.929 -13.553) 15.265 13.957 ( 8.624 9.501 19.208) 23.100 14.051 ( 10.166 0.624 17.754) 20.468 14.779 ( 13.877 16.714 -14.105) 25.901 14.889 ( 14.051 8.480 -14.300) 21.768 15.235 ( -4.320 7.788 4.585) 10.017 15.336 ( -4.437 5.412 0.843) 7.049 15.499 ( -2.916 -10.568 6.799) 12.900 15.580 ( -1.396 -11.998 1.363) 12.156 15.726 ( -0.412 -0.705 -6.004) 6.059 15.794 ( 3.002 -7.092 -7.142) 10.503 16.020 ( -13.733 -1.374 -9.584) 16.803 16.069 ( -8.290 -5.448 -9.778) 13.930 16.937 ( -5.353 4.392 18.724) 19.963 17.040 ( -2.439 -5.529 15.307) 16.456 17.343 ( 1.707 1.313 -4.640) 5.115 17.372 ( 0.817 -1.436 -3.735) 4.083 17.571 ( -0.171 4.922 10.042) 11.185 17.702 ( -3.207 -7.338 9.199) 12.197 18.086 ( 6.204 1.848 -10.102) 11.998 18.129 ( 4.165 -2.392 -11.454) 12.420 ======================= Grid point 144 (78/80) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 3.542 7.466 3.809) 9.099 1.403 ( -0.436 2.066 -3.370) 3.977 1.611 ( -2.560 1.847 3.114) 4.435 1.684 ( 2.108 -1.667 -2.405) 3.606 1.827 ( -0.206 0.034 2.331) 2.340 1.910 ( -0.456 -4.896 -4.881) 6.928 2.019 ( 2.813 5.280 8.819) 10.657 2.123 ( -3.204 -0.052 7.537) 8.190 2.201 ( 0.939 6.586 -1.622) 6.847 2.251 ( 4.055 -0.499 0.893) 4.182 2.289 ( -2.632 0.969 -5.286) 5.984 2.364 ( 3.045 -3.502 -4.512) 6.472 2.607 ( 3.503 -1.302 8.248) 9.055 2.656 ( 3.580 -6.928 2.522) 8.196 2.740 ( -0.027 0.350 -1.506) 1.546 2.793 ( -2.019 -2.212 -7.812) 8.367 2.869 ( -6.209 1.783 0.059) 6.461 2.926 ( -3.872 -1.829 -4.457) 6.181 3.006 ( 0.485 2.652 -4.903) 5.595 3.051 ( 0.134 -1.013 -6.113) 6.197 3.426 ( -2.304 3.728 7.714) 8.873 3.497 ( -2.612 -0.781 2.281) 3.555 3.595 ( -2.401 2.412 3.813) 5.111 3.610 ( 0.817 1.019 2.897) 3.178 3.757 ( 0.034 4.015 -2.461) 4.710 3.834 ( 1.213 -2.003 -7.845) 8.187 3.910 ( 0.372 1.877 0.707) 2.040 3.932 ( 1.211 -0.570 -2.334) 2.691 4.078 ( -0.673 0.298 2.974) 3.064 4.101 ( -1.172 -1.667 0.015) 2.038 4.170 ( 0.706 2.803 -0.551) 2.943 4.191 ( 0.847 1.615 -1.942) 2.664 4.400 ( 0.713 5.307 1.906) 5.683 4.422 ( -0.055 4.160 -0.356) 4.176 4.490 ( -2.033 -2.152 2.163) 3.666 4.497 ( 1.233 -0.974 3.737) 4.054 4.580 ( 1.172 5.494 -0.754) 5.668 4.605 ( 2.931 5.166 -3.461) 6.874 4.677 ( -1.408 -2.534 4.459) 5.318 4.755 ( 1.543 -5.652 -3.151) 6.653 4.873 ( -1.373 -1.551 3.559) 4.118 4.904 ( 0.998 -4.480 0.687) 4.641 5.073 ( -1.337 0.585 1.672) 2.220 5.088 ( 2.439 -0.859 0.614) 2.657 5.259 ( 1.317 2.282 0.304) 2.652 5.287 ( -0.758 0.146 -2.459) 2.578 5.396 ( -0.118 -0.108 -2.625) 2.630 5.405 ( 0.369 -1.100 -2.534) 2.787 5.725 ( 1.155 4.245 6.772) 8.076 5.829 ( 0.907 -0.716 1.973) 2.286 5.863 ( -1.797 -0.210 0.519) 1.883 5.968 ( 0.337 -5.647 -4.263) 7.084 6.329 ( -1.533 1.369 -0.182) 2.063 6.363 ( -1.910 -1.856 -2.630) 3.743 6.496 ( -2.897 0.565 -1.188) 3.182 6.503 ( -0.357 -0.037 -1.733) 1.770 6.747 ( -1.811 3.337 2.477) 4.533 6.781 ( 4.216 1.502 -0.446) 4.497 6.800 ( 2.663 0.212 1.040) 2.867 6.820 ( 0.374 -1.717 -1.173) 2.113 6.934 ( -3.218 -0.263 3.453) 4.727 6.982 ( -3.759 -4.523 -0.514) 5.903 7.064 ( 3.813 -1.595 -2.787) 4.985 7.069 ( 1.794 -2.258 -2.552) 3.851 7.394 ( 1.280 0.342 2.555) 2.878 7.412 ( 0.258 -1.375 0.552) 1.504 7.625 ( 1.131 2.470 1.925) 3.330 7.658 ( -0.769 -0.615 -0.892) 1.328 7.775 ( -0.553 1.735 1.061) 2.107 7.810 ( -0.256 2.147 -2.847) 3.575 7.813 ( 0.080 -1.797 0.735) 1.943 7.853 ( -0.592 -1.447 -3.066) 3.442 8.047 ( -1.133 0.387 1.703) 2.082 8.064 ( 0.048 -1.132 0.093) 1.137 8.256 ( 0.038 1.274 1.617) 2.059 8.278 ( -0.205 -0.810 -0.341) 0.903 8.575 ( -0.383 1.252 1.997) 2.388 8.581 ( -0.762 0.773 1.342) 1.726 8.680 ( 0.933 1.795 -0.949) 2.234 8.694 ( 0.651 0.389 -2.212) 2.339 11.238 ( -0.979 17.395 1.927) 17.529 11.299 ( 0.965 16.668 -4.249) 17.228 11.540 ( -0.389 -11.509 2.034) 11.694 11.614 ( -0.446 -13.412 -5.470) 14.491 12.737 ( 6.196 6.585 14.870) 17.403 12.907 ( 0.640 -8.094 11.058) 13.719 13.096 ( -4.810 5.713 -10.204) 12.645 13.290 ( -3.014 -11.182 -16.510) 20.167 14.310 ( 1.653 14.033 21.021) 25.329 14.407 ( 1.544 6.289 22.936) 23.833 14.771 ( 1.302 18.357 -20.972) 27.902 14.901 ( 2.575 8.309 -21.220) 22.934 15.288 ( 3.452 -0.417 8.366) 9.060 15.361 ( 5.073 0.419 4.426) 6.745 15.437 ( -6.083 -7.965 -4.486) 10.980 15.452 ( -8.820 -5.476 -7.639) 12.889 15.634 ( -5.741 -1.405 5.572) 8.122 15.739 ( -3.292 -6.130 3.331) 7.715 15.805 ( 6.095 -4.605 -8.208) 11.212 15.871 ( 1.223 -8.544 -8.597) 12.182 17.077 ( 0.112 4.333 13.703) 14.372 17.170 ( 1.142 -4.390 8.183) 9.357 17.315 ( 1.050 1.097 -5.317) 5.529 17.345 ( 0.633 -1.720 -4.571) 4.925 17.716 ( 1.071 0.900 15.420) 15.483 17.771 ( -1.743 -4.014 13.027) 13.742 18.015 ( -1.157 1.225 -13.892) 13.994 18.045 ( 1.609 -1.631 -14.386) 14.567 ======================= Grid point 145 (79/80) ======================= q-point: (-0.33 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 4.816 11.571 -6.658) 14.192 1.471 ( 8.429 2.313 1.660) 8.896 1.649 ( 1.548 3.196 3.301) 4.848 1.744 ( 6.306 -6.452 -3.063) 9.528 1.841 ( -1.274 4.418 -1.889) 4.971 1.898 ( 1.199 -3.639 1.600) 4.152 2.057 ( 0.196 9.542 -1.322) 9.635 2.129 ( 0.041 5.945 -0.015) 5.945 2.234 ( 1.455 0.645 4.225) 4.515 2.251 ( 2.285 0.671 -0.151) 2.387 2.349 ( 4.243 -6.827 -4.163) 9.053 2.372 ( 6.095 -10.699 -5.410) 13.450 2.586 ( -4.595 2.989 -4.969) 7.399 2.624 ( -2.962 -2.583 -5.091) 6.431 2.719 ( -0.675 1.127 0.689) 1.483 2.812 ( 4.758 -6.209 3.418) 8.537 2.908 ( 0.384 2.505 5.766) 6.299 2.953 ( 2.448 -0.690 4.534) 5.199 3.009 ( 2.218 0.932 0.152) 2.411 3.032 ( 2.789 -1.042 2.480) 3.875 3.432 ( -4.209 3.730 3.562) 6.657 3.455 ( -3.793 0.619 5.787) 6.947 3.597 ( -0.772 4.463 3.853) 5.947 3.653 ( -0.300 -0.630 3.949) 4.010 3.721 ( -3.649 1.752 -0.351) 4.063 3.764 ( -0.937 -2.674 -5.861) 6.511 3.880 ( -1.712 1.511 -2.787) 3.603 3.920 ( -0.792 -1.218 -0.652) 1.592 4.093 ( 0.316 2.449 -0.816) 2.601 4.122 ( 1.953 1.584 3.332) 4.174 4.167 ( 0.422 1.737 -2.479) 3.057 4.211 ( 2.775 -0.891 -0.049) 2.915 4.334 ( -4.427 5.260 -1.293) 6.995 4.404 ( -3.907 -1.073 4.031) 5.716 4.498 ( 0.973 3.403 -3.456) 4.947 4.521 ( -0.218 0.919 -0.574) 1.105 4.562 ( -0.787 4.632 -1.528) 4.941 4.643 ( 3.162 5.015 -3.437) 6.853 4.687 ( -1.319 -5.442 3.367) 6.534 4.734 ( 1.054 -2.273 -3.389) 4.215 4.881 ( -1.157 -1.823 1.631) 2.706 4.923 ( 1.628 -5.231 -2.043) 5.847 5.035 ( -3.271 2.629 0.107) 4.198 5.093 ( -0.827 -3.157 -1.744) 3.700 5.274 ( 1.751 3.000 -3.359) 4.832 5.324 ( 3.496 -0.512 0.676) 3.597 5.375 ( -0.847 -0.093 0.150) 0.865 5.410 ( 1.740 -2.014 -0.463) 2.702 5.680 ( -4.558 5.479 -0.719) 7.163 5.805 ( -4.936 -4.830 -1.771) 7.130 5.916 ( 3.912 0.344 2.211) 4.506 5.965 ( 1.635 -2.316 1.019) 3.013 6.325 ( -0.802 1.512 1.929) 2.579 6.370 ( 0.888 -2.742 2.582) 3.870 6.447 ( -2.204 2.792 3.415) 4.931 6.501 ( -0.368 -2.147 3.620) 4.225 6.725 ( -1.335 0.854 -0.875) 1.810 6.731 ( -1.288 0.355 -1.242) 1.824 6.815 ( -0.519 2.485 -1.990) 3.225 6.873 ( -1.990 -3.352 -1.148) 4.064 6.943 ( 0.119 0.131 1.121) 1.134 6.955 ( 3.965 -0.009 1.517) 4.245 7.085 ( 2.827 -1.002 -2.694) 4.031 7.128 ( 3.649 -4.542 -1.381) 5.988 7.360 ( -2.728 0.812 -1.922) 3.435 7.386 ( -1.935 -1.868 -1.348) 3.008 7.640 ( -0.208 2.646 -2.537) 3.672 7.674 ( 0.756 -0.511 0.302) 0.961 7.790 ( 0.608 2.770 2.376) 3.700 7.804 ( 1.214 0.757 -0.814) 1.646 7.828 ( 0.946 -0.686 0.378) 1.228 7.850 ( 1.089 -2.371 1.721) 3.125 8.041 ( -1.221 1.048 2.018) 2.581 8.071 ( 0.541 -1.641 0.719) 1.871 8.269 ( 0.068 0.712 -0.983) 1.216 8.277 ( 0.578 -0.102 0.803) 0.994 8.568 ( -1.356 1.608 0.928) 2.299 8.582 ( -0.894 0.192 1.516) 1.771 8.662 ( -1.026 1.931 -1.975) 2.946 8.682 ( -0.235 0.012 -1.340) 1.360 11.256 ( 0.467 17.672 2.078) 17.800 11.299 ( 2.236 16.530 -1.892) 16.787 11.573 ( 1.185 -12.629 0.244) 12.687 11.601 ( 2.371 -12.438 1.620) 12.765 12.755 ( -4.111 11.359 -11.058) 16.377 13.016 ( 3.847 -10.669 -4.054) 12.044 13.132 ( 5.985 0.651 6.542) 8.891 13.249 ( 6.709 -7.872 9.647) 14.144 14.330 ( -12.528 13.296 -4.540) 18.824 14.406 ( -11.287 8.243 -19.926) 24.339 14.517 ( -13.260 9.857 19.785) 25.776 14.560 ( -14.255 5.272 -3.489) 15.594 15.317 ( -0.422 -0.396 0.043) 0.581 15.335 ( -1.923 -3.362 3.709) 5.363 15.464 ( 2.638 1.264 5.275) 6.032 15.587 ( 7.675 -3.647 0.892) 8.544 15.644 ( 3.140 -2.211 1.866) 4.269 15.811 ( 7.157 -11.030 -6.117) 14.501 15.920 ( 9.892 -2.031 2.460) 10.393 15.928 ( 9.682 -2.598 1.901) 10.203 17.169 ( -0.320 2.342 4.394) 4.990 17.207 ( 2.220 -0.408 -5.516) 5.960 17.305 ( 0.653 -0.946 -4.705) 4.843 17.307 ( 0.451 -1.248 0.663) 1.483 17.811 ( -2.926 3.878 -9.708) 10.856 17.855 ( -4.043 -0.401 9.432) 10.270 17.876 ( -1.624 -3.007 11.272) 11.779 17.922 ( 0.338 -4.473 -10.545) 11.460 ======================= Grid point 146 (80/80) ======================= q-point: (-0.17 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 13.161 14.787 -2.894) 20.006 1.648 ( 3.255 11.765 0.758) 12.230 1.681 ( 8.595 0.749 -0.151) 8.629 1.809 ( -5.226 13.804 2.247) 14.930 1.879 ( 8.900 -8.849 1.877) 12.690 1.942 ( 1.518 -1.638 5.941) 6.347 2.052 ( 1.519 1.137 -0.416) 1.943 2.142 ( -0.534 -4.267 -5.939) 7.332 2.222 ( -1.470 -6.085 -1.801) 6.513 2.304 ( 0.673 -3.888 -4.807) 6.220 2.402 ( 5.444 -2.023 -1.319) 5.956 2.490 ( 4.728 0.478 1.948) 5.136 2.518 ( 1.285 -0.339 -3.687) 3.919 2.590 ( 2.614 -2.424 -2.693) 4.468 2.701 ( 3.130 5.887 -2.996) 7.310 2.785 ( -4.486 -3.112 -6.461) 8.459 2.899 ( -1.315 3.168 2.497) 4.243 2.959 ( -5.087 -3.805 1.640) 6.561 3.100 ( 0.957 3.557 9.592) 10.275 3.203 ( 1.441 -4.311 10.295) 11.254 3.400 ( -3.370 5.171 1.573) 6.369 3.457 ( 0.088 -0.047 2.935) 2.937 3.571 ( -5.218 2.671 -4.648) 7.481 3.653 ( -0.312 -0.156 -0.360) 0.502 3.656 ( -6.036 -0.353 8.764) 10.647 3.695 ( -0.566 -4.391 0.136) 4.429 3.839 ( -0.015 2.566 -0.754) 2.675 3.895 ( -0.367 -2.428 -1.146) 2.710 4.092 ( 1.399 3.538 -2.149) 4.369 4.117 ( -0.466 1.315 -2.869) 3.190 4.204 ( 1.761 4.408 -1.933) 5.125 4.247 ( -0.041 1.411 -4.054) 4.293 4.285 ( -1.612 3.515 6.475) 7.542 4.371 ( -2.057 -2.176 1.416) 3.312 4.462 ( 1.998 3.399 -4.570) 6.036 4.532 ( 1.357 2.223 1.173) 2.857 4.541 ( -0.498 1.420 2.358) 2.797 4.659 ( 2.155 2.397 -3.265) 4.588 4.688 ( -0.531 -3.203 1.302) 3.498 4.759 ( 3.096 -3.808 -3.191) 5.854 4.864 ( -0.697 0.374 0.328) 0.856 4.905 ( -2.015 -2.423 -1.481) 3.482 4.984 ( 0.441 0.789 -1.859) 2.067 5.046 ( -1.696 -4.703 -1.998) 5.384 5.234 ( -1.587 6.690 -4.424) 8.176 5.316 ( -2.700 5.222 -3.082) 6.638 5.380 ( 0.218 -6.477 -2.064) 6.801 5.428 ( 0.272 -5.384 -1.867) 5.705 5.659 ( 0.368 1.646 3.368) 3.767 5.711 ( -1.405 -2.738 0.652) 3.146 5.999 ( 2.865 1.038 2.264) 3.797 6.029 ( 1.826 -1.508 3.430) 4.168 6.312 ( -1.835 2.165 2.222) 3.605 6.361 ( -1.683 -2.542 0.662) 3.119 6.502 ( 0.209 2.586 7.670) 8.097 6.547 ( -1.010 -1.214 4.305) 4.585 6.705 ( 0.436 2.597 -0.939) 2.796 6.734 ( -5.213 -0.232 -0.985) 5.310 6.779 ( 3.416 -1.713 1.491) 4.102 6.812 ( -0.008 -2.650 -1.399) 2.997 6.961 ( 1.338 3.754 -1.334) 4.203 7.027 ( 2.934 -1.300 -1.481) 3.534 7.117 ( 2.170 -1.414 -0.617) 2.663 7.152 ( 0.180 -3.841 -0.605) 3.893 7.311 ( -0.006 0.072 -4.020) 4.021 7.322 ( -1.567 -0.881 -4.652) 4.988 7.608 ( -0.161 1.923 -1.571) 2.489 7.652 ( -1.577 -2.102 -1.162) 2.873 7.801 ( 0.468 2.312 -0.063) 2.360 7.836 ( -0.482 -0.235 0.752) 0.924 7.867 ( 1.785 0.754 3.215) 3.754 7.891 ( 0.014 -1.494 2.783) 3.159 8.051 ( 0.241 3.083 2.526) 3.993 8.112 ( 1.717 -2.501 2.466) 3.910 8.246 ( -0.653 2.490 -2.683) 3.718 8.287 ( 0.205 -1.527 -1.188) 1.946 8.555 ( -1.105 1.697 1.431) 2.479 8.579 ( -0.798 -0.738 1.524) 1.872 8.621 ( -0.738 2.436 -1.986) 3.229 8.657 ( -0.703 -0.934 -1.527) 1.923 11.289 ( 1.298 17.943 1.156) 18.027 11.331 ( 1.366 18.311 0.331) 18.365 11.614 ( 3.047 -12.295 0.674) 12.685 11.679 ( 1.177 -14.265 4.201) 14.917 12.649 ( 3.759 13.424 -6.939) 15.572 12.962 ( 4.024 -16.149 -10.222) 19.531 13.316 ( -4.797 1.653 0.274) 5.081 13.386 ( -3.754 -5.396 4.095) 7.744 14.020 ( 1.909 8.385 -11.423) 14.298 14.100 ( 3.516 1.456 -8.441) 9.259 14.356 ( -15.964 11.387 12.786) 23.409 14.436 ( -15.827 6.279 16.266) 23.548 15.342 ( -1.491 -1.735 6.606) 6.991 15.354 ( -2.643 -3.469 7.349) 8.545 15.522 ( 2.396 4.465 -1.553) 5.299 15.632 ( 3.490 1.710 -6.196) 7.314 15.760 ( 8.363 -4.017 -2.905) 9.722 15.879 ( 6.757 -8.778 -5.000) 12.154 16.096 ( 0.906 -0.572 2.582) 2.796 16.111 ( 1.460 -2.150 2.607) 3.681 17.188 ( 2.527 0.843 -1.395) 3.008 17.213 ( 6.165 -1.583 -6.724) 9.259 17.293 ( 0.784 0.945 -1.091) 1.642 17.324 ( 0.211 -2.050 0.815) 2.216 17.687 ( 3.105 8.746 -9.156) 13.037 17.827 ( -7.716 0.474 6.733) 10.252 17.863 ( 2.702 -6.036 -5.024) 8.305 17.921 ( -6.835 -6.256 9.888) 13.551 =================== 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 3/29160 10.0 321.739 285.286 415.565 0.000 21.412 0.000 3/29160 20.0 52.426 51.452 66.723 0.000 -2.480 0.000 3/29160 30.0 19.635 20.108 24.364 0.000 -0.976 0.000 3/29160 40.0 10.629 11.076 13.060 0.000 -0.503 0.000 3/29160 50.0 6.950 7.308 8.516 0.000 -0.313 0.000 3/29160 60.0 5.072 5.361 6.213 0.000 -0.217 0.000 3/29160 70.0 3.967 4.210 4.863 0.000 -0.162 0.000 3/29160 80.0 3.253 3.463 3.991 0.000 -0.128 0.000 3/29160 90.0 2.759 2.947 3.387 0.000 -0.104 0.000 3/29160 100.0 2.398 2.572 2.948 0.000 -0.088 0.000 3/29160 110.0 2.125 2.289 2.614 0.000 -0.076 0.000 3/29160 120.0 1.912 2.067 2.354 0.000 -0.067 0.000 3/29160 130.0 1.741 1.890 2.145 0.000 -0.060 0.000 3/29160 140.0 1.600 1.745 1.974 0.000 -0.054 0.000 3/29160 150.0 1.483 1.623 1.831 0.000 -0.050 0.000 3/29160 160.0 1.384 1.520 1.710 0.000 -0.046 0.000 3/29160 170.0 1.298 1.431 1.605 0.000 -0.043 0.000 3/29160 180.0 1.224 1.353 1.514 0.000 -0.041 0.000 3/29160 190.0 1.158 1.284 1.434 0.000 -0.038 0.000 3/29160 200.0 1.100 1.223 1.363 0.000 -0.037 0.000 3/29160 210.0 1.048 1.168 1.299 0.000 -0.035 0.000 3/29160 220.0 1.001 1.118 1.241 0.000 -0.033 0.000 3/29160 230.0 0.958 1.072 1.189 0.000 -0.032 0.000 3/29160 240.0 0.920 1.031 1.141 0.000 -0.031 0.000 3/29160 250.0 0.884 0.992 1.097 0.000 -0.029 0.000 3/29160 260.0 0.851 0.957 1.057 0.000 -0.028 0.000 3/29160 270.0 0.821 0.924 1.020 0.000 -0.027 0.000 3/29160 280.0 0.792 0.893 0.985 0.000 -0.026 0.000 3/29160 290.0 0.766 0.865 0.952 0.000 -0.026 0.000 3/29160 300.0 0.742 0.838 0.922 0.000 -0.025 0.000 3/29160 310.0 0.719 0.813 0.894 0.000 -0.024 0.000 3/29160 320.0 0.697 0.789 0.867 0.000 -0.023 0.000 3/29160 330.0 0.677 0.767 0.842 0.000 -0.023 0.000 3/29160 340.0 0.658 0.745 0.818 0.000 -0.022 0.000 3/29160 350.0 0.640 0.726 0.796 0.000 -0.021 0.000 3/29160 360.0 0.623 0.707 0.775 0.000 -0.021 0.000 3/29160 370.0 0.606 0.689 0.755 0.000 -0.020 0.000 3/29160 380.0 0.591 0.672 0.736 0.000 -0.020 0.000 3/29160 390.0 0.576 0.655 0.718 0.000 -0.019 0.000 3/29160 400.0 0.563 0.640 0.700 0.000 -0.019 0.000 3/29160 410.0 0.549 0.625 0.684 0.000 -0.018 0.000 3/29160 420.0 0.537 0.611 0.668 0.000 -0.018 0.000 3/29160 430.0 0.525 0.597 0.653 0.000 -0.018 0.000 3/29160 440.0 0.513 0.585 0.639 0.000 -0.017 0.000 3/29160 450.0 0.502 0.572 0.625 0.000 -0.017 0.000 3/29160 460.0 0.492 0.560 0.612 0.000 -0.017 0.000 3/29160 470.0 0.481 0.549 0.600 0.000 -0.016 0.000 3/29160 480.0 0.472 0.538 0.588 0.000 -0.016 0.000 3/29160 490.0 0.462 0.527 0.576 0.000 -0.016 0.000 3/29160 500.0 0.453 0.517 0.565 0.000 -0.015 0.000 3/29160 510.0 0.445 0.508 0.554 0.000 -0.015 0.000 3/29160 520.0 0.436 0.498 0.544 0.000 -0.015 0.000 3/29160 530.0 0.428 0.489 0.534 0.000 -0.014 0.000 3/29160 540.0 0.421 0.480 0.524 0.000 -0.014 0.000 3/29160 550.0 0.413 0.472 0.515 0.000 -0.014 0.000 3/29160 560.0 0.406 0.464 0.506 0.000 -0.014 0.000 3/29160 570.0 0.399 0.456 0.497 0.000 -0.013 0.000 3/29160 580.0 0.392 0.448 0.489 0.000 -0.013 0.000 3/29160 590.0 0.386 0.441 0.481 0.000 -0.013 0.000 3/29160 600.0 0.379 0.434 0.473 0.000 -0.013 0.000 3/29160 610.0 0.373 0.427 0.465 0.000 -0.013 0.000 3/29160 620.0 0.368 0.420 0.458 0.000 -0.012 0.000 3/29160 630.0 0.362 0.414 0.451 0.000 -0.012 0.000 3/29160 640.0 0.356 0.407 0.444 0.000 -0.012 0.000 3/29160 650.0 0.351 0.401 0.437 0.000 -0.012 0.000 3/29160 660.0 0.346 0.395 0.431 0.000 -0.012 0.000 3/29160 670.0 0.341 0.390 0.425 0.000 -0.012 0.000 3/29160 680.0 0.336 0.384 0.419 0.000 -0.011 0.000 3/29160 690.0 0.331 0.379 0.413 0.000 -0.011 0.000 3/29160 700.0 0.326 0.373 0.407 0.000 -0.011 0.000 3/29160 710.0 0.322 0.368 0.401 0.000 -0.011 0.000 3/29160 720.0 0.317 0.363 0.396 0.000 -0.011 0.000 3/29160 730.0 0.313 0.358 0.390 0.000 -0.011 0.000 3/29160 740.0 0.309 0.354 0.385 0.000 -0.010 0.000 3/29160 750.0 0.305 0.349 0.380 0.000 -0.010 0.000 3/29160 760.0 0.301 0.345 0.375 0.000 -0.010 0.000 3/29160 770.0 0.297 0.340 0.370 0.000 -0.010 0.000 3/29160 780.0 0.293 0.336 0.366 0.000 -0.010 0.000 3/29160 790.0 0.290 0.332 0.361 0.000 -0.010 0.000 3/29160 800.0 0.286 0.328 0.357 0.000 -0.010 0.000 3/29160 810.0 0.283 0.324 0.352 0.000 -0.010 0.000 3/29160 820.0 0.279 0.320 0.348 0.000 -0.009 0.000 3/29160 830.0 0.276 0.316 0.344 0.000 -0.009 0.000 3/29160 840.0 0.273 0.312 0.340 0.000 -0.009 0.000 3/29160 850.0 0.269 0.309 0.336 0.000 -0.009 0.000 3/29160 860.0 0.266 0.305 0.332 0.000 -0.009 0.000 3/29160 870.0 0.263 0.302 0.328 0.000 -0.009 0.000 3/29160 880.0 0.260 0.298 0.325 0.000 -0.009 0.000 3/29160 890.0 0.257 0.295 0.321 0.000 -0.009 0.000 3/29160 900.0 0.255 0.292 0.318 0.000 -0.009 0.000 3/29160 910.0 0.252 0.289 0.314 0.000 -0.009 0.000 3/29160 920.0 0.249 0.286 0.311 0.000 -0.008 0.000 3/29160 930.0 0.247 0.283 0.307 0.000 -0.008 0.000 3/29160 940.0 0.244 0.280 0.304 0.000 -0.008 0.000 3/29160 950.0 0.241 0.277 0.301 0.000 -0.008 0.000 3/29160 960.0 0.239 0.274 0.298 0.000 -0.008 0.000 3/29160 970.0 0.236 0.271 0.295 0.000 -0.008 0.000 3/29160 980.0 0.234 0.268 0.292 0.000 -0.008 0.000 3/29160 990.0 0.232 0.266 0.289 0.000 -0.008 0.000 3/29160 1000.0 0.229 0.263 0.286 0.000 -0.008 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m695.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:47:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|