----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:51:19]------------------------- 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: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 18 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.198647538963976 1.846740017663582 8.957833613333323 b -3.198647538963969 1.846740017663582 8.957833613333323 c 0.000000000000003 -3.693480035327169 8.957833613333323 Atomic positions (fractional): *1 Ba 0.33386818514743 0.33386818514743 0.33386818514743 137.327 2 Ba 0.66613181485257 0.66613181485258 0.66613181485257 137.327 *3 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 *4 Hf 0.88601683909567 0.51481417611123 0.24908391307182 178.490 5 Hf 0.48518582388877 0.75091608692818 0.11398316090433 178.490 6 Hf 0.75091608692818 0.11398316090433 0.48518582388877 178.490 7 Hf 0.24908391307182 0.88601683909567 0.51481417611123 178.490 8 Hf 0.51481417611123 0.24908391307182 0.88601683909567 178.490 9 Hf 0.11398316090433 0.48518582388877 0.75091608692818 178.490 *10 O 0.23366673313906 0.23366673313906 0.23366673313906 15.999 *11 O 0.95964625945583 0.68767543751117 0.21676332144478 15.999 *12 O 0.85116922826192 0.41124150054383 0.14925618387316 15.999 13 O 0.58875849945617 0.85074381612684 0.14883077173808 15.999 14 O 0.31232456248883 0.78323667855522 0.04035374054417 15.999 15 O 0.78323667855522 0.04035374054417 0.31232456248883 15.999 16 O 0.85074381612684 0.14883077173808 0.58875849945617 15.999 *17 O 0.43283702626314 0.43283702626314 0.43283702626314 15.999 18 O 0.56716297373686 0.56716297373686 0.56716297373686 15.999 19 O 0.14925618387316 0.85116922826192 0.41124150054383 15.999 20 O 0.21676332144478 0.95964625945583 0.68767543751117 15.999 21 O 0.68767543751117 0.21676332144478 0.95964625945583 15.999 22 O 0.41124150054383 0.14925618387316 0.85116922826192 15.999 23 O 0.14883077173808 0.58875849945617 0.85074381612684 15.999 24 O 0.04035374054417 0.31232456248883 0.78323667855522 15.999 25 O 0.76633326686094 0.76633326686094 0.76633326686094 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.397295077927946 0.000000000000000 0.000000000000000 b -3.198647538963973 5.540220052990751 0.000000000000000 c 0.000000000000000 0.000000000000000 26.873500839999995 Atomic positions (fractional): *1 Ba 0.33333333333333 0.66666666666667 0.00053485181409 137.327 > 1 2 Ba 0.33333333333333 0.66666666666667 0.33279848151924 137.327 > 2 3 Ba 0.00000000000000 0.00000000000000 0.33386818514743 137.327 > 1 4 Ba 0.00000000000000 0.00000000000000 0.66613181485257 137.327 > 2 5 Ba 0.66666666666667 0.33333333333333 0.66720151848076 137.327 > 1 6 Ba 0.66666666666667 0.33333333333333 0.99946514818591 137.327 > 2 *7 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 3 *8 Hf 0.66937852966943 0.96755439635442 0.21663830942624 178.490 > 4 9 Hf 0.36849079998168 0.00271186300277 0.11669502390709 178.490 > 5 10 Hf 0.63422106302109 0.63150920001832 0.11669502390709 178.490 > 6 11 Hf 0.03244560364558 0.70182413331501 0.21663830942624 178.490 > 7 12 Hf 0.29817586668499 0.33062147033057 0.21663830942624 178.490 > 8 13 Hf 0.99728813699723 0.36577893697891 0.11669502390709 178.490 > 9 14 Hf 0.66666666666667 0.33333333333333 0.33333333333333 178.490 > 3 15 Hf 0.33604519633610 0.30088772968776 0.54997164275957 178.490 > 4 16 Hf 0.03515746664834 0.33604519633610 0.45002835724043 178.490 > 5 17 Hf 0.30088772968776 0.96484253335166 0.45002835724043 178.490 > 6 18 Hf 0.69911227031224 0.03515746664834 0.54997164275957 178.490 > 7 19 Hf 0.96484253335166 0.66395480366390 0.54997164275957 178.490 > 8 20 Hf 0.66395480366390 0.69911227031224 0.45002835724043 178.490 > 9 21 Hf 0.33333333333333 0.66666666666667 0.66666666666667 178.490 > 3 22 Hf 0.00271186300277 0.63422106302109 0.88330497609291 178.490 > 4 23 Hf 0.70182413331501 0.66937852966943 0.78336169057376 178.490 > 5 24 Hf 0.96755439635442 0.29817586668499 0.78336169057376 178.490 > 6 25 Hf 0.36577893697891 0.36849079998168 0.88330497609291 178.490 > 7 26 Hf 0.63150920001832 0.99728813699723 0.88330497609291 178.490 > 8 27 Hf 0.33062147033057 0.03244560364558 0.78336169057376 178.490 > 9 *28 O 0.00000000000000 0.00000000000000 0.23366673313906 15.999 > 10 *29 O 0.67161791998524 0.07126501802581 0.28802833947059 15.999 > 11 *30 O 0.71394692403562 0.98796612035314 0.13722230422630 15.999 > 12 31 O 0.39264747034914 0.04728025736895 0.19611102910703 15.999 > 13 32 O 0.26701956862609 0.00495125331857 0.04530499386274 15.999 > 14 33 O 0.73793168469248 0.73298043137391 0.04530499386274 15.999 > 15 34 O 0.65463278701981 0.60735252965086 0.19611102910703 15.999 > 16 *35 O 0.33333333333333 0.66666666666667 0.09950369292980 15.999 > 17 36 O 0.33333333333333 0.66666666666667 0.23382964040353 15.999 > 18 37 O 0.01203387964686 0.72598080368248 0.13722230422630 15.999 > 19 38 O 0.92873498197419 0.60035290195943 0.28802833947059 15.999 > 20 39 O 0.39964709804057 0.32838208001476 0.28802833947059 15.999 > 21 40 O 0.27401919631752 0.28605307596438 0.13722230422630 15.999 > 22 41 O 0.95271974263105 0.34536721298019 0.19611102910703 15.999 > 23 42 O 0.99504874668143 0.26206831530752 0.04530499386274 15.999 > 24 43 O 0.66666666666667 0.33333333333333 0.09966660019428 15.999 > 25 44 O 0.66666666666667 0.33333333333333 0.56700006647239 15.999 > 10 45 O 0.33828458665190 0.40459835135914 0.62136167280393 15.999 > 11 46 O 0.38061359070229 0.32129945368648 0.47055563755964 15.999 > 12 47 O 0.05931413701581 0.38061359070229 0.52944436244036 15.999 > 13 48 O 0.93368623529276 0.33828458665190 0.37863832719607 15.999 > 14 49 O 0.40459835135914 0.06631376470724 0.37863832719607 15.999 > 15 50 O 0.32129945368648 0.94068586298419 0.52944436244036 15.999 > 16 51 O 0.00000000000000 0.00000000000000 0.43283702626314 15.999 > 17 52 O 0.00000000000000 0.00000000000000 0.56716297373686 15.999 > 18 53 O 0.67870054631352 0.05931413701581 0.47055563755964 15.999 > 19 54 O 0.59540164864086 0.93368623529276 0.62136167280393 15.999 > 20 55 O 0.06631376470724 0.66171541334810 0.62136167280393 15.999 > 21 56 O 0.94068586298419 0.61938640929771 0.47055563755964 15.999 > 22 57 O 0.61938640929771 0.67870054631352 0.52944436244036 15.999 > 23 58 O 0.66171541334810 0.59540164864086 0.37863832719607 15.999 > 24 59 O 0.33333333333333 0.66666666666667 0.43299993352761 15.999 > 25 60 O 0.33333333333333 0.66666666666667 0.90033339980573 15.999 > 10 61 O 0.00495125331857 0.73793168469248 0.95469500613726 15.999 > 11 62 O 0.04728025736895 0.65463278701981 0.80388897089297 15.999 > 12 63 O 0.72598080368248 0.71394692403562 0.86277769577370 15.999 > 13 64 O 0.60035290195943 0.67161791998524 0.71197166052941 15.999 > 14 65 O 0.07126501802581 0.39964709804057 0.71197166052941 15.999 > 15 66 O 0.98796612035314 0.27401919631752 0.86277769577370 15.999 > 16 67 O 0.66666666666667 0.33333333333333 0.76617035959647 15.999 > 17 68 O 0.66666666666667 0.33333333333333 0.90049630707020 15.999 > 18 69 O 0.34536721298019 0.39264747034914 0.80388897089297 15.999 > 19 70 O 0.26206831530752 0.26701956862609 0.95469500613726 15.999 > 20 71 O 0.73298043137391 0.99504874668143 0.95469500613726 15.999 > 21 72 O 0.60735252965086 0.95271974263105 0.80388897089297 15.999 > 22 73 O 0.28605307596438 0.01203387964686 0.86277769577370 15.999 > 23 74 O 0.32838208001476 0.92873498197419 0.71197166052941 15.999 > 24 75 O 0.00000000000000 0.00000000000000 0.76633326686094 15.999 > 25 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.397295077927946 0.000000000000000 0.000000000000000 b -3.198647538963973 5.540220052990751 0.000000000000000 c 0.000000000000000 0.000000000000000 26.873500839999995 Atomic positions (fractional): *1 Ba 0.33333333333333 0.66666666666667 0.00053485181409 137.327 > 1 2 Ba 0.33333333333333 0.66666666666667 0.33279848151924 137.327 > 2 3 Ba 0.00000000000000 0.00000000000000 0.33386818514743 137.327 > 1 4 Ba 0.00000000000000 0.00000000000000 0.66613181485257 137.327 > 2 5 Ba 0.66666666666667 0.33333333333333 0.66720151848076 137.327 > 1 6 Ba 0.66666666666667 0.33333333333333 0.99946514818591 137.327 > 2 *7 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 3 *8 Hf 0.66937852966943 0.96755439635442 0.21663830942624 178.490 > 4 9 Hf 0.36849079998168 0.00271186300277 0.11669502390709 178.490 > 5 10 Hf 0.63422106302109 0.63150920001832 0.11669502390709 178.490 > 6 11 Hf 0.03244560364558 0.70182413331501 0.21663830942624 178.490 > 7 12 Hf 0.29817586668499 0.33062147033057 0.21663830942624 178.490 > 8 13 Hf 0.99728813699723 0.36577893697891 0.11669502390709 178.490 > 9 14 Hf 0.66666666666667 0.33333333333333 0.33333333333333 178.490 > 3 15 Hf 0.33604519633610 0.30088772968776 0.54997164275957 178.490 > 4 16 Hf 0.03515746664834 0.33604519633610 0.45002835724043 178.490 > 5 17 Hf 0.30088772968776 0.96484253335166 0.45002835724043 178.490 > 6 18 Hf 0.69911227031224 0.03515746664834 0.54997164275957 178.490 > 7 19 Hf 0.96484253335166 0.66395480366390 0.54997164275957 178.490 > 8 20 Hf 0.66395480366390 0.69911227031224 0.45002835724043 178.490 > 9 21 Hf 0.33333333333333 0.66666666666667 0.66666666666667 178.490 > 3 22 Hf 0.00271186300277 0.63422106302109 0.88330497609291 178.490 > 4 23 Hf 0.70182413331501 0.66937852966943 0.78336169057376 178.490 > 5 24 Hf 0.96755439635442 0.29817586668499 0.78336169057376 178.490 > 6 25 Hf 0.36577893697891 0.36849079998168 0.88330497609291 178.490 > 7 26 Hf 0.63150920001832 0.99728813699723 0.88330497609291 178.490 > 8 27 Hf 0.33062147033057 0.03244560364558 0.78336169057376 178.490 > 9 *28 O 0.00000000000000 0.00000000000000 0.23366673313906 15.999 > 10 *29 O 0.67161791998524 0.07126501802581 0.28802833947059 15.999 > 11 *30 O 0.71394692403562 0.98796612035314 0.13722230422630 15.999 > 12 31 O 0.39264747034914 0.04728025736895 0.19611102910703 15.999 > 13 32 O 0.26701956862609 0.00495125331857 0.04530499386274 15.999 > 14 33 O 0.73793168469248 0.73298043137391 0.04530499386274 15.999 > 15 34 O 0.65463278701981 0.60735252965086 0.19611102910703 15.999 > 16 *35 O 0.33333333333333 0.66666666666667 0.09950369292980 15.999 > 17 36 O 0.33333333333333 0.66666666666667 0.23382964040353 15.999 > 18 37 O 0.01203387964686 0.72598080368248 0.13722230422630 15.999 > 19 38 O 0.92873498197419 0.60035290195943 0.28802833947059 15.999 > 20 39 O 0.39964709804057 0.32838208001476 0.28802833947059 15.999 > 21 40 O 0.27401919631752 0.28605307596438 0.13722230422630 15.999 > 22 41 O 0.95271974263105 0.34536721298019 0.19611102910703 15.999 > 23 42 O 0.99504874668143 0.26206831530752 0.04530499386274 15.999 > 24 43 O 0.66666666666667 0.33333333333333 0.09966660019428 15.999 > 25 44 O 0.66666666666667 0.33333333333333 0.56700006647239 15.999 > 10 45 O 0.33828458665190 0.40459835135914 0.62136167280393 15.999 > 11 46 O 0.38061359070229 0.32129945368648 0.47055563755964 15.999 > 12 47 O 0.05931413701581 0.38061359070229 0.52944436244036 15.999 > 13 48 O 0.93368623529276 0.33828458665190 0.37863832719607 15.999 > 14 49 O 0.40459835135914 0.06631376470724 0.37863832719607 15.999 > 15 50 O 0.32129945368648 0.94068586298419 0.52944436244036 15.999 > 16 51 O 0.00000000000000 0.00000000000000 0.43283702626314 15.999 > 17 52 O 0.00000000000000 0.00000000000000 0.56716297373686 15.999 > 18 53 O 0.67870054631352 0.05931413701581 0.47055563755964 15.999 > 19 54 O 0.59540164864086 0.93368623529276 0.62136167280393 15.999 > 20 55 O 0.06631376470724 0.66171541334810 0.62136167280393 15.999 > 21 56 O 0.94068586298419 0.61938640929771 0.47055563755964 15.999 > 22 57 O 0.61938640929771 0.67870054631352 0.52944436244036 15.999 > 23 58 O 0.66171541334810 0.59540164864086 0.37863832719607 15.999 > 24 59 O 0.33333333333333 0.66666666666667 0.43299993352761 15.999 > 25 60 O 0.33333333333333 0.66666666666667 0.90033339980573 15.999 > 10 61 O 0.00495125331857 0.73793168469248 0.95469500613726 15.999 > 11 62 O 0.04728025736895 0.65463278701981 0.80388897089297 15.999 > 12 63 O 0.72598080368248 0.71394692403562 0.86277769577370 15.999 > 13 64 O 0.60035290195943 0.67161791998524 0.71197166052941 15.999 > 14 65 O 0.07126501802581 0.39964709804057 0.71197166052941 15.999 > 15 66 O 0.98796612035314 0.27401919631752 0.86277769577370 15.999 > 16 67 O 0.66666666666667 0.33333333333333 0.76617035959647 15.999 > 17 68 O 0.66666666666667 0.33333333333333 0.90049630707020 15.999 > 18 69 O 0.34536721298019 0.39264747034914 0.80388897089297 15.999 > 19 70 O 0.26206831530752 0.26701956862609 0.95469500613726 15.999 > 20 71 O 0.73298043137391 0.99504874668143 0.95469500613726 15.999 > 21 72 O 0.60735252965086 0.95271974263105 0.80388897089297 15.999 > 22 73 O 0.28605307596438 0.01203387964686 0.86277769577370 15.999 > 23 74 O 0.32838208001476 0.92873498197419 0.71197166052941 15.999 > 24 75 O 0.00000000000000 0.00000000000000 0.76633326686094 15.999 > 25 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6246927 -0.0000031 0.0000000 0.0000031 4.6246927 0.0000000 0.0000000 0.0000000 4.8414084 -------------------------- Born effective charges -------------------------- 1 Ba 2.6018054 0.0019452 0.0000000 -0.0019452 2.6018054 -0.0000000 0.0000000 -0.0000000 3.0760205 2 Ba 2.6018054 0.0019452 0.0000000 -0.0019452 2.6018054 -0.0000000 0.0000000 -0.0000000 3.0760205 3 Hf 5.5085778 0.0262308 0.0000000 -0.0262308 5.5085778 -0.0000000 0.0000000 -0.0000000 6.2550155 4 Hf 5.4734193 0.5465102 -0.1405124 0.5484110 4.6000339 0.3487657 -0.1773333 0.2687421 5.2282422 5 Hf 4.3442655 0.1035063 0.3722962 0.1054070 5.7291878 -0.0526955 0.3214041 0.0192041 5.2282422 6 Hf 5.2924951 -0.6528676 -0.2317837 -0.6509669 4.7809582 -0.2960702 -0.1440709 -0.2879462 5.2282422 7 Hf 5.2924951 -0.6528676 -0.2317837 -0.6509669 4.7809582 -0.2960702 -0.1440709 -0.2879462 5.2282422 8 Hf 4.3442655 0.1035063 0.3722962 0.1054070 5.7291878 -0.0526955 0.3214041 0.0192041 5.2282422 9 Hf 5.4734193 0.5465102 -0.1405124 0.5484110 4.6000339 0.3487657 -0.1773333 0.2687421 5.2282422 10 O -3.1435821 -0.1536183 0.0000000 0.1536183 -3.1435821 -0.0000000 0.0000000 -0.0000000 -1.7585886 11 O -2.0173823 0.4111075 0.5494523 0.4190919 -2.4292750 -0.9718405 0.5313378 -0.9652994 -3.7099224 12 O -2.1440912 0.0822155 0.1068744 0.0884005 -3.0085893 -0.1030830 -0.0310829 0.0065962 -2.4078361 13 O -2.8663437 0.3285922 -0.1427096 0.3347772 -2.2863368 -0.0410144 0.0212539 0.0236205 -2.4078361 14 O -2.6857887 -0.0331872 -1.1163647 -0.0252029 -1.7608686 0.0100806 -1.1016427 0.0224977 -3.7099224 15 O -1.9668150 -0.3898968 0.5669124 -0.3819125 -2.4798424 0.9617599 0.5703049 0.9428017 -3.7099224 16 O -2.7185859 -0.4200852 0.0358353 -0.4139002 -2.4340946 0.1440974 0.0098290 -0.0302167 -2.4078361 17 O -2.9236853 0.1626628 0.0000000 -0.1626628 -2.9236853 -0.0000000 0.0000000 -0.0000000 -1.7763907 18 O -2.9236853 0.1626628 0.0000000 -0.1626628 -2.9236853 -0.0000000 0.0000000 -0.0000000 -1.7763907 19 O -2.7185859 -0.4200852 0.0358353 -0.4139002 -2.4340946 0.1440974 0.0098290 -0.0302167 -2.4078361 20 O -1.9668150 -0.3898968 0.5669124 -0.3819125 -2.4798424 0.9617599 0.5703049 0.9428017 -3.7099224 21 O -2.6857887 -0.0331872 -1.1163647 -0.0252029 -1.7608686 0.0100806 -1.1016427 0.0224977 -3.7099224 22 O -2.8663437 0.3285922 -0.1427096 0.3347772 -2.2863368 -0.0410144 0.0212539 0.0236205 -2.4078361 23 O -2.1440912 0.0822155 0.1068744 0.0884005 -3.0085893 -0.1030830 -0.0310829 0.0065962 -2.4078361 24 O -2.0173823 0.4111075 0.5494523 0.4190919 -2.4292750 -0.9718405 0.5313378 -0.9652994 -3.7099224 25 O -3.1435821 -0.1536183 0.0000000 0.1536183 -3.1435821 -0.0000000 0.0000000 -0.0000000 -1.7585886 ---------------------------------------------------------------------------- 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: 225/225 Permutation basis: 11181/11181 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1432 Number of blocks in projector: 710 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 662 Use submatrix version of eigh solver. (1) Block: 500 / 662 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 662 / 662 (1) 148 eigenvectors found. (1) Complementary block size: 33 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 194 Use standard eigh solver. Tree of FC basis block matrices: - (1432, 1394), data: False |-- (194, 187), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 24), data: (576, 36) @ (36, 24) |-- (76, 64), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (662, 643), data: False |-- (662, 14), data: (662, 33) @ (33, 14) |-- (162, 148), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 75 / 75 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 560 - Time: 1.272 Solver_block: 200 / 560 - Time: 1.266 Solver_block: 300 / 560 - Time: 1.266 Solver_block: 400 / 560 - Time: 1.268 Solver_block: 500 / 560 - Time: 1.264 Solver_block: 560 / 560 - Time: 0.806 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.174 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 225/225 Permutation basis: 11181/11181 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1432 Number of blocks in projector: 710 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 662 Use submatrix version of eigh solver. (1) Block: 500 / 662 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 662 / 662 (1) 148 eigenvectors found. (1) Complementary block size: 33 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 64 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 194 Use standard eigh solver. Tree of FC basis block matrices: - (1432, 1394), data: False |-- (194, 187), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 24), data: (576, 36) @ (36, 24) |-- (76, 64), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (662, 643), data: False |-- (662, 14), data: (662, 33) @ (33, 14) |-- (162, 148), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:51:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:51:43]------------------------- 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): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.198647538963976 1.846740017663582 8.957833613333323 b -3.198647538963969 1.846740017663582 8.957833613333323 c 0.000000000000003 -3.693480035327169 8.957833613333323 Atomic positions (fractional): 1 Ba 0.33386818514743 0.33386818514743 0.33386818514743 137.327 2 Ba 0.66613181485257 0.66613181485258 0.66613181485257 137.327 3 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 4 Hf 0.88601683909567 0.51481417611123 0.24908391307182 178.490 5 Hf 0.48518582388877 0.75091608692818 0.11398316090433 178.490 6 Hf 0.75091608692818 0.11398316090433 0.48518582388877 178.490 7 Hf 0.24908391307182 0.88601683909567 0.51481417611123 178.490 8 Hf 0.51481417611123 0.24908391307182 0.88601683909567 178.490 9 Hf 0.11398316090433 0.48518582388877 0.75091608692818 178.490 10 O 0.23366673313906 0.23366673313906 0.23366673313906 15.999 11 O 0.95964625945583 0.68767543751117 0.21676332144478 15.999 12 O 0.85116922826192 0.41124150054383 0.14925618387316 15.999 13 O 0.58875849945617 0.85074381612684 0.14883077173808 15.999 14 O 0.31232456248883 0.78323667855522 0.04035374054417 15.999 15 O 0.78323667855522 0.04035374054417 0.31232456248883 15.999 16 O 0.85074381612684 0.14883077173808 0.58875849945617 15.999 17 O 0.43283702626314 0.43283702626314 0.43283702626314 15.999 18 O 0.56716297373686 0.56716297373686 0.56716297373686 15.999 19 O 0.14925618387316 0.85116922826192 0.41124150054383 15.999 20 O 0.21676332144478 0.95964625945583 0.68767543751117 15.999 21 O 0.68767543751117 0.21676332144478 0.95964625945583 15.999 22 O 0.41124150054383 0.14925618387316 0.85116922826192 15.999 23 O 0.14883077173808 0.58875849945617 0.85074381612684 15.999 24 O 0.04035374054417 0.31232456248883 0.78323667855522 15.999 25 O 0.76633326686094 0.76633326686094 0.76633326686094 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.397295077927946 0.000000000000000 0.000000000000000 b -3.198647538963973 5.540220052990751 0.000000000000000 c 0.000000000000000 0.000000000000000 26.873500839999995 Atomic positions (fractional): 1 Ba 0.33333333333333 0.66666666666667 0.00053485181409 137.327 > 1 2 Ba 0.33333333333333 0.66666666666667 0.33279848151924 137.327 > 2 3 Ba 0.00000000000000 0.00000000000000 0.33386818514743 137.327 > 1 4 Ba 0.00000000000000 0.00000000000000 0.66613181485257 137.327 > 2 5 Ba 0.66666666666667 0.33333333333333 0.66720151848076 137.327 > 1 6 Ba 0.66666666666667 0.33333333333333 0.99946514818591 137.327 > 2 7 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 7 8 Hf 0.66937852966943 0.96755439635442 0.21663830942624 178.490 > 8 9 Hf 0.36849079998168 0.00271186300277 0.11669502390709 178.490 > 9 10 Hf 0.63422106302109 0.63150920001832 0.11669502390709 178.490 > 10 11 Hf 0.03244560364558 0.70182413331501 0.21663830942624 178.490 > 11 12 Hf 0.29817586668499 0.33062147033057 0.21663830942624 178.490 > 12 13 Hf 0.99728813699723 0.36577893697891 0.11669502390709 178.490 > 13 14 Hf 0.66666666666667 0.33333333333333 0.33333333333333 178.490 > 7 15 Hf 0.33604519633610 0.30088772968776 0.54997164275957 178.490 > 8 16 Hf 0.03515746664834 0.33604519633610 0.45002835724043 178.490 > 9 17 Hf 0.30088772968776 0.96484253335166 0.45002835724043 178.490 > 10 18 Hf 0.69911227031224 0.03515746664834 0.54997164275957 178.490 > 11 19 Hf 0.96484253335166 0.66395480366390 0.54997164275957 178.490 > 12 20 Hf 0.66395480366390 0.69911227031224 0.45002835724043 178.490 > 13 21 Hf 0.33333333333333 0.66666666666667 0.66666666666667 178.490 > 7 22 Hf 0.00271186300277 0.63422106302109 0.88330497609291 178.490 > 8 23 Hf 0.70182413331501 0.66937852966943 0.78336169057376 178.490 > 9 24 Hf 0.96755439635442 0.29817586668499 0.78336169057376 178.490 > 10 25 Hf 0.36577893697891 0.36849079998168 0.88330497609291 178.490 > 11 26 Hf 0.63150920001832 0.99728813699723 0.88330497609291 178.490 > 12 27 Hf 0.33062147033057 0.03244560364558 0.78336169057376 178.490 > 13 28 O 0.00000000000000 0.00000000000000 0.23366673313906 15.999 > 28 29 O 0.67161791998524 0.07126501802581 0.28802833947059 15.999 > 29 30 O 0.71394692403562 0.98796612035314 0.13722230422630 15.999 > 30 31 O 0.39264747034914 0.04728025736895 0.19611102910703 15.999 > 31 32 O 0.26701956862609 0.00495125331857 0.04530499386274 15.999 > 32 33 O 0.73793168469248 0.73298043137391 0.04530499386274 15.999 > 33 34 O 0.65463278701981 0.60735252965086 0.19611102910703 15.999 > 34 35 O 0.33333333333333 0.66666666666667 0.09950369292980 15.999 > 35 36 O 0.33333333333333 0.66666666666667 0.23382964040353 15.999 > 36 37 O 0.01203387964686 0.72598080368248 0.13722230422630 15.999 > 37 38 O 0.92873498197419 0.60035290195943 0.28802833947059 15.999 > 38 39 O 0.39964709804057 0.32838208001476 0.28802833947059 15.999 > 39 40 O 0.27401919631752 0.28605307596438 0.13722230422630 15.999 > 40 41 O 0.95271974263105 0.34536721298019 0.19611102910703 15.999 > 41 42 O 0.99504874668143 0.26206831530752 0.04530499386274 15.999 > 42 43 O 0.66666666666667 0.33333333333333 0.09966660019428 15.999 > 43 44 O 0.66666666666667 0.33333333333333 0.56700006647239 15.999 > 28 45 O 0.33828458665190 0.40459835135914 0.62136167280393 15.999 > 29 46 O 0.38061359070229 0.32129945368648 0.47055563755964 15.999 > 30 47 O 0.05931413701581 0.38061359070229 0.52944436244036 15.999 > 31 48 O 0.93368623529276 0.33828458665190 0.37863832719607 15.999 > 32 49 O 0.40459835135914 0.06631376470724 0.37863832719607 15.999 > 33 50 O 0.32129945368648 0.94068586298419 0.52944436244036 15.999 > 34 51 O 0.00000000000000 0.00000000000000 0.43283702626314 15.999 > 35 52 O 0.00000000000000 0.00000000000000 0.56716297373686 15.999 > 36 53 O 0.67870054631352 0.05931413701581 0.47055563755964 15.999 > 37 54 O 0.59540164864086 0.93368623529276 0.62136167280393 15.999 > 38 55 O 0.06631376470724 0.66171541334810 0.62136167280393 15.999 > 39 56 O 0.94068586298419 0.61938640929771 0.47055563755964 15.999 > 40 57 O 0.61938640929771 0.67870054631352 0.52944436244036 15.999 > 41 58 O 0.66171541334810 0.59540164864086 0.37863832719607 15.999 > 42 59 O 0.33333333333333 0.66666666666667 0.43299993352761 15.999 > 43 60 O 0.33333333333333 0.66666666666667 0.90033339980573 15.999 > 28 61 O 0.00495125331857 0.73793168469248 0.95469500613726 15.999 > 29 62 O 0.04728025736895 0.65463278701981 0.80388897089297 15.999 > 30 63 O 0.72598080368248 0.71394692403562 0.86277769577370 15.999 > 31 64 O 0.60035290195943 0.67161791998524 0.71197166052941 15.999 > 32 65 O 0.07126501802581 0.39964709804057 0.71197166052941 15.999 > 33 66 O 0.98796612035314 0.27401919631752 0.86277769577370 15.999 > 34 67 O 0.66666666666667 0.33333333333333 0.76617035959647 15.999 > 35 68 O 0.66666666666667 0.33333333333333 0.90049630707020 15.999 > 36 69 O 0.34536721298019 0.39264747034914 0.80388897089297 15.999 > 37 70 O 0.26206831530752 0.26701956862609 0.95469500613726 15.999 > 38 71 O 0.73298043137391 0.99504874668143 0.95469500613726 15.999 > 39 72 O 0.60735252965086 0.95271974263105 0.80388897089297 15.999 > 40 73 O 0.28605307596438 0.01203387964686 0.86277769577370 15.999 > 41 74 O 0.32838208001476 0.92873498197419 0.71197166052941 15.999 > 42 75 O 0.00000000000000 0.00000000000000 0.76633326686094 15.999 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6246927 -0.0000031 0.0000000 0.0000031 4.6246927 0.0000000 0.0000000 0.0000000 4.8414084 -------------------------- Born effective charges -------------------------- 1 Ba 2.6018054 0.0019452 0.0000000 -0.0019452 2.6018054 -0.0000000 0.0000000 -0.0000000 3.0760205 2 Ba 2.6018054 0.0019452 0.0000000 -0.0019452 2.6018054 -0.0000000 0.0000000 -0.0000000 3.0760205 3 Hf 5.5085778 0.0262308 0.0000000 -0.0262308 5.5085778 -0.0000000 0.0000000 -0.0000000 6.2550155 4 Hf 5.4734193 0.5465102 -0.1405124 0.5484110 4.6000339 0.3487657 -0.1773333 0.2687421 5.2282422 5 Hf 4.3442655 0.1035063 0.3722962 0.1054070 5.7291878 -0.0526955 0.3214041 0.0192041 5.2282422 6 Hf 5.2924951 -0.6528676 -0.2317837 -0.6509669 4.7809582 -0.2960702 -0.1440709 -0.2879462 5.2282422 7 Hf 5.2924951 -0.6528676 -0.2317837 -0.6509669 4.7809582 -0.2960702 -0.1440709 -0.2879462 5.2282422 8 Hf 4.3442655 0.1035063 0.3722962 0.1054070 5.7291878 -0.0526955 0.3214041 0.0192041 5.2282422 9 Hf 5.4734193 0.5465102 -0.1405124 0.5484110 4.6000339 0.3487657 -0.1773333 0.2687421 5.2282422 10 O -3.1435821 -0.1536183 0.0000000 0.1536183 -3.1435821 -0.0000000 0.0000000 -0.0000000 -1.7585886 11 O -2.0173823 0.4111075 0.5494523 0.4190919 -2.4292750 -0.9718405 0.5313378 -0.9652994 -3.7099224 12 O -2.1440912 0.0822155 0.1068744 0.0884005 -3.0085893 -0.1030830 -0.0310829 0.0065962 -2.4078361 13 O -2.8663437 0.3285922 -0.1427096 0.3347772 -2.2863368 -0.0410144 0.0212539 0.0236205 -2.4078361 14 O -2.6857887 -0.0331872 -1.1163647 -0.0252029 -1.7608686 0.0100806 -1.1016427 0.0224977 -3.7099224 15 O -1.9668150 -0.3898968 0.5669124 -0.3819125 -2.4798424 0.9617599 0.5703049 0.9428017 -3.7099224 16 O -2.7185859 -0.4200852 0.0358353 -0.4139002 -2.4340946 0.1440974 0.0098290 -0.0302167 -2.4078361 17 O -2.9236853 0.1626628 0.0000000 -0.1626628 -2.9236853 -0.0000000 0.0000000 -0.0000000 -1.7763907 18 O -2.9236853 0.1626628 0.0000000 -0.1626628 -2.9236853 -0.0000000 0.0000000 -0.0000000 -1.7763907 19 O -2.7185859 -0.4200852 0.0358353 -0.4139002 -2.4340946 0.1440974 0.0098290 -0.0302167 -2.4078361 20 O -1.9668150 -0.3898968 0.5669124 -0.3819125 -2.4798424 0.9617599 0.5703049 0.9428017 -3.7099224 21 O -2.6857887 -0.0331872 -1.1163647 -0.0252029 -1.7608686 0.0100806 -1.1016427 0.0224977 -3.7099224 22 O -2.8663437 0.3285922 -0.1427096 0.3347772 -2.2863368 -0.0410144 0.0212539 0.0236205 -2.4078361 23 O -2.1440912 0.0822155 0.1068744 0.0884005 -3.0085893 -0.1030830 -0.0310829 0.0065962 -2.4078361 24 O -2.0173823 0.4111075 0.5494523 0.4190919 -2.4292750 -0.9718405 0.5313378 -0.9652994 -3.7099224 25 O -3.1435821 -0.1536183 0.0000000 0.1536183 -3.1435821 -0.0000000 0.0000000 -0.0000000 -1.7585886 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 8, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 30, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 23:51:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:51:56]------------------------- 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): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.198647538963976 1.846740017663582 8.957833613333323 b -3.198647538963969 1.846740017663582 8.957833613333323 c 0.000000000000003 -3.693480035327169 8.957833613333323 Atomic positions (fractional): 1 Ba 0.33386818514743 0.33386818514743 0.33386818514743 137.327 2 Ba 0.66613181485257 0.66613181485258 0.66613181485257 137.327 3 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 4 Hf 0.88601683909567 0.51481417611123 0.24908391307182 178.490 5 Hf 0.48518582388877 0.75091608692818 0.11398316090433 178.490 6 Hf 0.75091608692818 0.11398316090433 0.48518582388877 178.490 7 Hf 0.24908391307182 0.88601683909567 0.51481417611123 178.490 8 Hf 0.51481417611123 0.24908391307182 0.88601683909567 178.490 9 Hf 0.11398316090433 0.48518582388877 0.75091608692818 178.490 10 O 0.23366673313906 0.23366673313906 0.23366673313906 15.999 11 O 0.95964625945583 0.68767543751117 0.21676332144478 15.999 12 O 0.85116922826192 0.41124150054383 0.14925618387316 15.999 13 O 0.58875849945617 0.85074381612684 0.14883077173808 15.999 14 O 0.31232456248883 0.78323667855522 0.04035374054417 15.999 15 O 0.78323667855522 0.04035374054417 0.31232456248883 15.999 16 O 0.85074381612684 0.14883077173808 0.58875849945617 15.999 17 O 0.43283702626314 0.43283702626314 0.43283702626314 15.999 18 O 0.56716297373686 0.56716297373686 0.56716297373686 15.999 19 O 0.14925618387316 0.85116922826192 0.41124150054383 15.999 20 O 0.21676332144478 0.95964625945583 0.68767543751117 15.999 21 O 0.68767543751117 0.21676332144478 0.95964625945583 15.999 22 O 0.41124150054383 0.14925618387316 0.85116922826192 15.999 23 O 0.14883077173808 0.58875849945617 0.85074381612684 15.999 24 O 0.04035374054417 0.31232456248883 0.78323667855522 15.999 25 O 0.76633326686094 0.76633326686094 0.76633326686094 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.397295077927946 0.000000000000000 0.000000000000000 b -3.198647538963973 5.540220052990751 0.000000000000000 c 0.000000000000000 0.000000000000000 26.873500839999995 Atomic positions (fractional): 1 Ba 0.33333333333333 0.66666666666667 0.00053485181409 137.327 > 1 2 Ba 0.33333333333333 0.66666666666667 0.33279848151924 137.327 > 2 3 Ba 0.00000000000000 0.00000000000000 0.33386818514743 137.327 > 1 4 Ba 0.00000000000000 0.00000000000000 0.66613181485257 137.327 > 2 5 Ba 0.66666666666667 0.33333333333333 0.66720151848076 137.327 > 1 6 Ba 0.66666666666667 0.33333333333333 0.99946514818591 137.327 > 2 7 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 7 8 Hf 0.66937852966943 0.96755439635442 0.21663830942624 178.490 > 8 9 Hf 0.36849079998168 0.00271186300277 0.11669502390709 178.490 > 9 10 Hf 0.63422106302109 0.63150920001832 0.11669502390709 178.490 > 10 11 Hf 0.03244560364558 0.70182413331501 0.21663830942624 178.490 > 11 12 Hf 0.29817586668499 0.33062147033057 0.21663830942624 178.490 > 12 13 Hf 0.99728813699723 0.36577893697891 0.11669502390709 178.490 > 13 14 Hf 0.66666666666667 0.33333333333333 0.33333333333333 178.490 > 7 15 Hf 0.33604519633610 0.30088772968776 0.54997164275957 178.490 > 8 16 Hf 0.03515746664834 0.33604519633610 0.45002835724043 178.490 > 9 17 Hf 0.30088772968776 0.96484253335166 0.45002835724043 178.490 > 10 18 Hf 0.69911227031224 0.03515746664834 0.54997164275957 178.490 > 11 19 Hf 0.96484253335166 0.66395480366390 0.54997164275957 178.490 > 12 20 Hf 0.66395480366390 0.69911227031224 0.45002835724043 178.490 > 13 21 Hf 0.33333333333333 0.66666666666667 0.66666666666667 178.490 > 7 22 Hf 0.00271186300277 0.63422106302109 0.88330497609291 178.490 > 8 23 Hf 0.70182413331501 0.66937852966943 0.78336169057376 178.490 > 9 24 Hf 0.96755439635442 0.29817586668499 0.78336169057376 178.490 > 10 25 Hf 0.36577893697891 0.36849079998168 0.88330497609291 178.490 > 11 26 Hf 0.63150920001832 0.99728813699723 0.88330497609291 178.490 > 12 27 Hf 0.33062147033057 0.03244560364558 0.78336169057376 178.490 > 13 28 O 0.00000000000000 0.00000000000000 0.23366673313906 15.999 > 28 29 O 0.67161791998524 0.07126501802581 0.28802833947059 15.999 > 29 30 O 0.71394692403562 0.98796612035314 0.13722230422630 15.999 > 30 31 O 0.39264747034914 0.04728025736895 0.19611102910703 15.999 > 31 32 O 0.26701956862609 0.00495125331857 0.04530499386274 15.999 > 32 33 O 0.73793168469248 0.73298043137391 0.04530499386274 15.999 > 33 34 O 0.65463278701981 0.60735252965086 0.19611102910703 15.999 > 34 35 O 0.33333333333333 0.66666666666667 0.09950369292980 15.999 > 35 36 O 0.33333333333333 0.66666666666667 0.23382964040353 15.999 > 36 37 O 0.01203387964686 0.72598080368248 0.13722230422630 15.999 > 37 38 O 0.92873498197419 0.60035290195943 0.28802833947059 15.999 > 38 39 O 0.39964709804057 0.32838208001476 0.28802833947059 15.999 > 39 40 O 0.27401919631752 0.28605307596438 0.13722230422630 15.999 > 40 41 O 0.95271974263105 0.34536721298019 0.19611102910703 15.999 > 41 42 O 0.99504874668143 0.26206831530752 0.04530499386274 15.999 > 42 43 O 0.66666666666667 0.33333333333333 0.09966660019428 15.999 > 43 44 O 0.66666666666667 0.33333333333333 0.56700006647239 15.999 > 28 45 O 0.33828458665190 0.40459835135914 0.62136167280393 15.999 > 29 46 O 0.38061359070229 0.32129945368648 0.47055563755964 15.999 > 30 47 O 0.05931413701581 0.38061359070229 0.52944436244036 15.999 > 31 48 O 0.93368623529276 0.33828458665190 0.37863832719607 15.999 > 32 49 O 0.40459835135914 0.06631376470724 0.37863832719607 15.999 > 33 50 O 0.32129945368648 0.94068586298419 0.52944436244036 15.999 > 34 51 O 0.00000000000000 0.00000000000000 0.43283702626314 15.999 > 35 52 O 0.00000000000000 0.00000000000000 0.56716297373686 15.999 > 36 53 O 0.67870054631352 0.05931413701581 0.47055563755964 15.999 > 37 54 O 0.59540164864086 0.93368623529276 0.62136167280393 15.999 > 38 55 O 0.06631376470724 0.66171541334810 0.62136167280393 15.999 > 39 56 O 0.94068586298419 0.61938640929771 0.47055563755964 15.999 > 40 57 O 0.61938640929771 0.67870054631352 0.52944436244036 15.999 > 41 58 O 0.66171541334810 0.59540164864086 0.37863832719607 15.999 > 42 59 O 0.33333333333333 0.66666666666667 0.43299993352761 15.999 > 43 60 O 0.33333333333333 0.66666666666667 0.90033339980573 15.999 > 28 61 O 0.00495125331857 0.73793168469248 0.95469500613726 15.999 > 29 62 O 0.04728025736895 0.65463278701981 0.80388897089297 15.999 > 30 63 O 0.72598080368248 0.71394692403562 0.86277769577370 15.999 > 31 64 O 0.60035290195943 0.67161791998524 0.71197166052941 15.999 > 32 65 O 0.07126501802581 0.39964709804057 0.71197166052941 15.999 > 33 66 O 0.98796612035314 0.27401919631752 0.86277769577370 15.999 > 34 67 O 0.66666666666667 0.33333333333333 0.76617035959647 15.999 > 35 68 O 0.66666666666667 0.33333333333333 0.90049630707020 15.999 > 36 69 O 0.34536721298019 0.39264747034914 0.80388897089297 15.999 > 37 70 O 0.26206831530752 0.26701956862609 0.95469500613726 15.999 > 38 71 O 0.73298043137391 0.99504874668143 0.95469500613726 15.999 > 39 72 O 0.60735252965086 0.95271974263105 0.80388897089297 15.999 > 40 73 O 0.28605307596438 0.01203387964686 0.86277769577370 15.999 > 41 74 O 0.32838208001476 0.92873498197419 0.71197166052941 15.999 > 42 75 O 0.00000000000000 0.00000000000000 0.76633326686094 15.999 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6246927 -0.0000031 0.0000000 0.0000031 4.6246927 0.0000000 0.0000000 0.0000000 4.8414084 -------------------------- Born effective charges -------------------------- 1 Ba 2.6018054 0.0019452 0.0000000 -0.0019452 2.6018054 -0.0000000 0.0000000 -0.0000000 3.0760205 2 Ba 2.6018054 0.0019452 0.0000000 -0.0019452 2.6018054 -0.0000000 0.0000000 -0.0000000 3.0760205 3 Hf 5.5085778 0.0262308 0.0000000 -0.0262308 5.5085778 -0.0000000 0.0000000 -0.0000000 6.2550155 4 Hf 5.4734193 0.5465102 -0.1405124 0.5484110 4.6000339 0.3487657 -0.1773333 0.2687421 5.2282422 5 Hf 4.3442655 0.1035063 0.3722962 0.1054070 5.7291878 -0.0526955 0.3214041 0.0192041 5.2282422 6 Hf 5.2924951 -0.6528676 -0.2317837 -0.6509669 4.7809582 -0.2960702 -0.1440709 -0.2879462 5.2282422 7 Hf 5.2924951 -0.6528676 -0.2317837 -0.6509669 4.7809582 -0.2960702 -0.1440709 -0.2879462 5.2282422 8 Hf 4.3442655 0.1035063 0.3722962 0.1054070 5.7291878 -0.0526955 0.3214041 0.0192041 5.2282422 9 Hf 5.4734193 0.5465102 -0.1405124 0.5484110 4.6000339 0.3487657 -0.1773333 0.2687421 5.2282422 10 O -3.1435821 -0.1536183 0.0000000 0.1536183 -3.1435821 -0.0000000 0.0000000 -0.0000000 -1.7585886 11 O -2.0173823 0.4111075 0.5494523 0.4190919 -2.4292750 -0.9718405 0.5313378 -0.9652994 -3.7099224 12 O -2.1440912 0.0822155 0.1068744 0.0884005 -3.0085893 -0.1030830 -0.0310829 0.0065962 -2.4078361 13 O -2.8663437 0.3285922 -0.1427096 0.3347772 -2.2863368 -0.0410144 0.0212539 0.0236205 -2.4078361 14 O -2.6857887 -0.0331872 -1.1163647 -0.0252029 -1.7608686 0.0100806 -1.1016427 0.0224977 -3.7099224 15 O -1.9668150 -0.3898968 0.5669124 -0.3819125 -2.4798424 0.9617599 0.5703049 0.9428017 -3.7099224 16 O -2.7185859 -0.4200852 0.0358353 -0.4139002 -2.4340946 0.1440974 0.0098290 -0.0302167 -2.4078361 17 O -2.9236853 0.1626628 0.0000000 -0.1626628 -2.9236853 -0.0000000 0.0000000 -0.0000000 -1.7763907 18 O -2.9236853 0.1626628 0.0000000 -0.1626628 -2.9236853 -0.0000000 0.0000000 -0.0000000 -1.7763907 19 O -2.7185859 -0.4200852 0.0358353 -0.4139002 -2.4340946 0.1440974 0.0098290 -0.0302167 -2.4078361 20 O -1.9668150 -0.3898968 0.5669124 -0.3819125 -2.4798424 0.9617599 0.5703049 0.9428017 -3.7099224 21 O -2.6857887 -0.0331872 -1.1163647 -0.0252029 -1.7608686 0.0100806 -1.1016427 0.0224977 -3.7099224 22 O -2.8663437 0.3285922 -0.1427096 0.3347772 -2.2863368 -0.0410144 0.0212539 0.0236205 -2.4078361 23 O -2.1440912 0.0822155 0.1068744 0.0884005 -3.0085893 -0.1030830 -0.0310829 0.0065962 -2.4078361 24 O -2.0173823 0.4111075 0.5494523 0.4190919 -2.4292750 -0.9718405 0.5313378 -0.9652994 -3.7099224 25 O -3.1435821 -0.1536183 0.0000000 0.1536183 -3.1435821 -0.0000000 0.0000000 -0.0000000 -1.7585886 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] 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: 0.61, Number of G-points: 293, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 3.388 ( 0.000 0.000 0.000) 0.000 3.644 ( 0.000 0.000 0.000) 0.000 3.644 ( 0.000 0.000 0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 3.852 ( 0.000 0.000 0.000) 0.000 4.371 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.819 ( 0.000 0.000 0.000) 0.000 4.819 ( 0.000 0.000 0.000) 0.000 5.360 ( 0.000 0.000 0.000) 0.000 5.360 ( 0.000 0.000 0.000) 0.000 5.449 ( 0.000 0.000 0.000) 0.000 5.748 ( 0.000 0.000 0.000) 0.000 5.942 ( 0.000 0.000 0.000) 0.000 5.942 ( 0.000 0.000 0.000) 0.000 6.018 ( 0.000 0.000 0.000) 0.000 6.349 ( 0.000 0.000 0.000) 0.000 6.940 ( 0.000 0.000 0.000) 0.000 7.690 ( 0.000 0.000 0.000) 0.000 7.911 ( 0.000 0.000 0.000) 0.000 7.911 ( 0.000 0.000 0.000) 0.000 7.995 ( 0.000 0.000 0.000) 0.000 7.995 ( 0.000 0.000 0.000) 0.000 8.997 ( 0.000 0.000 0.000) 0.000 9.016 ( 0.000 0.000 0.000) 0.000 9.016 ( 0.000 0.000 0.000) 0.000 9.088 ( 0.000 0.000 0.000) 0.000 9.212 ( 0.000 0.000 0.000) 0.000 9.212 ( 0.000 0.000 0.000) 0.000 9.952 ( 0.000 0.000 0.000) 0.000 10.111 ( 0.000 0.000 0.000) 0.000 10.111 ( 0.000 0.000 0.000) 0.000 10.951 ( 0.000 0.000 0.000) 0.000 10.951 ( 0.000 0.000 0.000) 0.000 11.030 ( 0.000 0.000 0.000) 0.000 11.030 ( 0.000 0.000 0.000) 0.000 11.323 ( 0.000 0.000 0.000) 0.000 11.643 ( 0.000 0.000 0.000) 0.000 11.717 ( 0.000 0.000 0.000) 0.000 11.717 ( 0.000 0.000 0.000) 0.000 11.833 ( 0.000 0.000 0.000) 0.000 12.764 ( 0.000 0.000 0.000) 0.000 13.336 ( 0.000 0.000 0.000) 0.000 13.336 ( 0.000 0.000 0.000) 0.000 13.819 ( 0.000 0.000 0.000) 0.000 14.232 ( 0.000 0.000 0.000) 0.000 14.232 ( 0.000 0.000 0.000) 0.000 14.369 ( 0.000 0.000 0.000) 0.000 14.542 ( 0.000 0.000 0.000) 0.000 15.323 ( 0.000 0.000 0.000) 0.000 16.128 ( 0.000 0.000 0.000) 0.000 16.128 ( 0.000 0.000 0.000) 0.000 16.859 ( 0.000 0.000 0.000) 0.000 16.859 ( 0.000 0.000 0.000) 0.000 17.475 ( 0.000 0.000 0.000) 0.000 17.497 ( 0.000 0.000 0.000) 0.000 17.497 ( 0.000 0.000 0.000) 0.000 17.726 ( 0.000 0.000 0.000) 0.000 17.726 ( 0.000 0.000 0.000) 0.000 18.927 ( 0.000 0.000 0.000) 0.000 20.927 ( 0.000 0.000 0.000) 0.000 20.927 ( 0.000 0.000 0.000) 0.000 21.489 ( 0.000 0.000 0.000) 0.000 21.489 ( 0.000 0.000 0.000) 0.000 23.090 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 21.632 14.954 -0.383) 26.300 0.723 ( 28.258 20.612 2.685) 35.079 1.046 ( 41.954 19.888 21.601) 51.208 2.654 ( 1.674 1.305 -6.844) 7.166 2.688 ( 4.444 3.549 -4.987) 7.564 2.757 ( -3.314 -2.614 2.467) 4.889 2.897 ( 1.180 -1.160 2.599) 3.081 2.935 ( 1.381 2.127 4.464) 5.134 3.253 ( -8.344 -5.599 -1.635) 10.181 3.443 ( -9.587 -1.406 -2.991) 10.141 3.589 ( 0.703 -4.389 3.293) 5.532 3.721 ( 1.916 -4.078 -1.370) 4.709 3.830 ( 3.716 11.138 -1.172) 11.800 4.008 ( 10.657 4.015 2.663) 11.696 4.289 ( -6.229 -2.933 -0.081) 6.886 4.498 ( -1.381 -4.288 -1.266) 4.679 4.555 ( 0.496 3.723 -6.171) 7.224 4.778 ( -2.609 -4.799 -0.100) 5.463 4.826 ( -2.541 1.339 9.014) 9.461 5.311 ( -1.856 -2.894 -7.874) 8.592 5.382 ( 0.160 1.642 6.176) 6.392 5.474 ( 4.752 3.166 -13.472) 14.632 5.806 ( 2.025 0.117 10.242) 10.441 5.945 ( 0.087 -2.464 -3.225) 4.059 5.968 ( -2.126 0.012 -5.687) 6.071 6.028 ( -5.161 -2.028 10.834) 12.171 6.382 ( 2.167 1.332 -0.630) 2.620 7.004 ( 5.605 3.373 -2.755) 7.098 7.666 ( -1.907 -2.140 2.265) 3.654 7.867 ( -4.268 7.356 0.399) 8.513 7.956 ( 0.971 -6.986 -0.955) 7.118 8.167 ( 11.698 2.574 -0.792) 12.004 8.332 ( 0.363 2.608 -4.597) 5.298 8.736 ( -15.335 -12.497 1.227) 19.821 8.937 ( -5.900 -1.731 -1.475) 6.324 9.070 ( 6.105 -3.840 -0.049) 7.213 9.243 ( 0.111 6.394 0.898) 6.458 9.451 ( 8.355 5.594 -1.568) 10.176 9.797 ( 2.789 -0.827 -27.938) 28.089 9.968 ( -6.739 -3.289 5.236) 9.146 10.052 ( -4.877 -0.113 7.360) 8.830 10.689 ( -6.535 -1.684 2.952) 7.366 10.897 ( -4.768 -0.328 -1.320) 4.959 10.918 ( -1.217 -5.083 1.690) 5.494 11.073 ( 2.862 1.563 -0.587) 3.313 11.352 ( 2.501 2.196 -2.786) 4.341 11.474 ( -8.839 -9.939 -3.022) 13.640 11.671 ( -4.247 5.977 8.247) 11.036 11.743 ( 4.783 0.938 -1.351) 5.058 12.008 ( 10.330 0.258 -3.712) 10.980 12.790 ( 3.378 1.707 -2.847) 4.736 13.155 ( 4.115 3.266 -0.315) 5.263 13.355 ( 1.583 0.901 3.421) 3.876 13.677 ( -4.103 0.751 -18.147) 18.620 14.093 ( -10.278 -6.565 3.725) 12.751 14.270 ( 0.900 -5.975 -7.851) 9.907 14.351 ( 3.073 1.163 1.415) 3.578 14.433 ( -8.613 -3.728 2.674) 9.758 15.244 ( 2.278 -4.968 15.504) 16.439 15.540 ( 6.346 15.916 15.324) 22.987 15.938 ( -14.680 -8.520 -0.872) 16.996 16.353 ( -18.225 -10.764 10.348) 23.560 16.816 ( 0.509 -3.751 -2.465) 4.517 17.154 ( 8.259 13.435 1.754) 15.868 17.348 ( 3.606 -0.352 -0.735) 3.697 17.660 ( 1.323 -1.508 -5.076) 5.458 17.873 ( 12.139 6.741 -0.320) 13.889 18.048 ( 26.412 13.373 1.124) 29.626 18.926 ( 13.499 3.134 -30.624) 33.614 19.715 ( -15.005 -0.849 46.315) 48.692 20.881 ( -3.279 -3.576 -0.985) 4.951 21.067 ( -4.577 0.422 0.885) 4.681 21.437 ( -5.076 -0.228 -2.992) 5.897 21.486 ( 1.475 -4.064 1.747) 4.663 22.976 ( -9.332 -5.395 -1.308) 10.858 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 20.074 14.336 -0.049) 24.668 1.398 ( 24.871 19.382 0.442) 31.535 1.988 ( 34.236 14.197 19.800) 42.020 2.611 ( -4.684 1.208 -4.882) 6.873 2.673 ( -0.151 -1.074 -7.566) 7.644 2.830 ( 5.650 0.993 -2.988) 6.468 2.933 ( 0.308 0.223 2.458) 2.487 2.964 ( -0.464 -2.136 2.644) 3.431 3.114 ( 1.787 0.075 3.423) 3.862 3.329 ( -2.775 2.946 -0.137) 4.050 3.578 ( 1.221 -3.743 1.024) 4.068 3.670 ( -1.227 -5.088 -2.165) 5.664 3.980 ( 1.559 10.388 -2.521) 10.802 4.132 ( -8.055 -2.227 3.057) 8.899 4.216 ( 4.679 0.720 6.155) 7.765 4.400 ( -0.851 -7.721 0.238) 7.771 4.535 ( -3.943 4.394 -8.461) 10.318 4.671 ( -2.011 -6.686 -2.829) 7.534 4.856 ( -0.367 4.730 7.325) 8.727 5.200 ( -1.965 -3.885 -10.973) 11.805 5.445 ( 0.038 3.280 10.400) 10.905 5.542 ( 6.483 2.396 -19.515) 20.702 5.728 ( -9.319 -6.412 -3.240) 11.767 5.940 ( 3.200 -0.806 9.847) 10.386 5.966 ( -3.748 0.056 7.921) 8.763 5.986 ( 1.530 -0.643 -0.884) 1.881 6.419 ( 0.650 0.843 -0.662) 1.253 7.154 ( 7.511 5.371 -5.191) 10.593 7.639 ( 0.471 -1.492 4.155) 4.440 7.837 ( -7.852 8.303 -4.781) 12.388 7.960 ( 6.088 -9.273 5.245) 12.271 8.279 ( 1.119 0.491 -1.827) 2.198 8.376 ( -4.787 -7.489 1.015) 8.946 8.500 ( 6.423 3.589 0.623) 7.384 8.768 ( -8.282 -1.608 -3.041) 8.968 9.153 ( 9.225 -7.217 -0.601) 11.728 9.340 ( -2.236 12.261 2.126) 12.643 9.455 ( -7.082 -5.552 -2.981) 9.480 9.651 ( -6.254 -5.822 -7.482) 11.357 9.880 ( 2.116 -2.469 -4.235) 5.339 10.028 ( -5.288 5.368 6.483) 9.940 10.529 ( -8.820 -2.919 -3.111) 9.798 10.775 ( -7.291 -2.458 1.501) 7.839 10.842 ( -1.071 -5.983 1.856) 6.355 11.144 ( 3.677 -4.639 1.925) 6.224 11.245 ( -3.681 -2.256 -8.428) 9.470 11.415 ( 1.213 3.871 -1.486) 4.320 11.731 ( -0.978 7.825 13.150) 15.333 11.870 ( 8.755 0.317 -2.484) 9.106 12.091 ( 3.065 -3.522 -2.222) 5.171 12.883 ( 5.464 2.905 -3.259) 6.994 13.211 ( -0.723 -1.414 1.449) 2.150 13.425 ( -0.037 -0.531 -0.159) 0.556 13.561 ( -2.024 3.488 -4.587) 6.108 13.895 ( -5.753 -2.000 1.974) 6.403 14.097 ( -7.662 -7.487 -0.889) 10.750 14.229 ( -8.983 -4.818 0.045) 10.194 14.465 ( 4.359 1.896 -0.857) 4.830 15.250 ( 1.271 -10.008 4.091) 10.886 15.550 ( -15.058 -8.962 1.069) 17.556 15.765 ( -5.608 4.807 -0.699) 7.419 16.179 ( -0.595 11.173 11.501) 16.046 16.825 ( 7.786 -7.202 -2.171) 10.826 17.307 ( -5.522 11.456 10.239) 16.327 17.561 ( 3.584 15.523 -15.107) 21.955 17.666 ( 18.316 -12.980 2.651) 22.605 18.220 ( 16.332 10.225 -0.951) 19.292 18.676 ( 27.811 14.202 0.083) 31.228 19.091 ( 14.252 -1.902 -16.517) 21.898 19.647 ( -13.238 7.149 31.543) 34.948 20.722 ( -7.809 -7.081 -3.828) 11.215 20.970 ( -7.278 -1.268 3.900) 8.354 21.288 ( -9.444 -0.207 -5.629) 10.996 21.475 ( 2.193 -5.545 2.353) 6.410 22.670 ( -15.598 -9.033 -2.904) 18.257 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 16.545 12.741 0.734) 20.895 1.927 ( 14.754 14.522 -4.377) 21.160 2.401 ( 1.313 -3.667 -0.736) 3.964 2.584 ( -1.364 -0.503 -2.644) 3.018 2.727 ( -1.764 1.285 0.494) 2.238 2.782 ( 9.619 0.906 10.122) 13.992 2.956 ( 0.002 0.571 0.895) 1.062 3.118 ( 11.802 6.144 -1.739) 13.419 3.275 ( 8.290 1.783 4.460) 9.581 3.399 ( 5.485 1.042 -1.094) 5.690 3.569 ( -1.162 -2.765 -2.357) 3.814 3.606 ( 3.301 3.418 3.476) 5.888 3.937 ( -6.829 -7.801 1.109) 10.427 4.107 ( -3.751 10.196 4.274) 11.675 4.151 ( -5.111 -2.529 2.444) 6.204 4.369 ( -2.739 -1.967 2.289) 4.075 4.513 ( 2.856 -7.991 -7.430) 11.279 4.582 ( -0.067 6.081 -1.055) 6.172 4.932 ( -0.668 2.026 -0.413) 2.173 5.096 ( -1.211 -0.055 -7.355) 7.454 5.411 ( -12.038 -9.748 0.759) 15.508 5.548 ( 0.513 4.190 -3.477) 5.469 5.555 ( 2.512 -1.651 -10.983) 11.387 5.927 ( -3.508 -2.973 12.941) 13.734 6.025 ( 0.844 3.175 4.053) 5.217 6.040 ( 6.634 -1.257 -2.541) 7.214 6.409 ( -2.122 0.037 -0.152) 2.128 7.283 ( 2.763 4.169 -5.206) 7.219 7.696 ( 3.367 -0.231 3.937) 5.185 7.776 ( -2.195 4.183 -2.747) 5.465 7.953 ( 4.284 -5.720 0.022) 7.147 8.235 ( -4.288 -5.727 2.101) 7.457 8.388 ( 4.041 9.837 7.157) 12.819 8.496 ( -2.854 -9.438 -2.279) 10.120 8.787 ( 2.241 4.638 -3.447) 6.198 9.127 ( -11.355 -0.828 5.023) 12.444 9.221 ( 4.347 -9.169 -9.665) 14.013 9.448 ( -7.650 -2.157 1.571) 8.102 9.491 ( 4.578 5.050 -4.251) 8.033 9.875 ( 0.651 -3.660 -1.234) 3.917 9.998 ( -7.848 6.596 1.543) 10.367 10.326 ( -7.204 -6.370 -1.336) 9.709 10.661 ( -3.276 -0.426 2.248) 3.995 10.781 ( -1.482 -3.890 2.547) 4.880 11.008 ( -2.727 -10.614 -3.489) 11.501 11.348 ( 7.477 7.961 -3.544) 11.483 11.456 ( 0.351 2.797 -0.791) 2.928 11.882 ( 3.302 3.525 15.487) 16.223 12.008 ( 7.905 0.549 -4.921) 9.328 12.074 ( -0.268 0.105 -2.291) 2.309 12.905 ( -7.856 -4.551 -4.486) 10.127 13.121 ( -0.267 -1.370 2.431) 2.804 13.381 ( 0.099 1.077 -1.140) 1.571 13.603 ( 0.849 -1.574 -2.139) 2.788 13.861 ( -0.109 -3.721 -6.264) 7.287 13.897 ( -7.671 -0.160 4.869) 9.087 14.078 ( -4.798 1.096 1.077) 5.038 14.514 ( -1.260 2.753 3.849) 4.897 15.121 ( -2.013 -11.392 -0.235) 11.571 15.313 ( -5.083 -6.153 0.589) 8.003 15.614 ( -6.890 -2.494 -1.583) 7.497 16.431 ( 1.273 19.277 5.852) 20.185 16.896 ( 8.988 -7.658 -2.784) 12.132 17.338 ( -2.158 -0.082 13.692) 13.861 17.555 ( -3.017 7.816 -15.488) 17.608 18.099 ( 25.239 5.695 5.060) 26.363 18.581 ( 13.548 8.752 -1.285) 16.180 19.172 ( 7.547 -2.606 -9.983) 12.783 19.268 ( 21.513 9.142 0.062) 23.375 19.710 ( -3.297 11.084 22.125) 24.965 20.445 ( -11.257 -9.444 -5.864) 15.821 20.817 ( -8.221 -5.291 4.650) 10.826 21.073 ( -11.959 0.000 -6.009) 13.384 21.492 ( 4.050 -2.519 2.718) 5.489 22.269 ( -16.780 -9.721 -4.174) 19.837 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 8.669 6.742 2.097) 11.181 2.130 ( 1.764 10.227 -8.992) 13.732 2.287 ( -3.523 -12.507 3.454) 13.445 2.539 ( -0.603 -1.361 -1.945) 2.450 2.800 ( 3.194 11.023 -2.171) 11.679 2.938 ( 0.540 -4.527 3.349) 5.656 2.992 ( 4.540 1.025 7.475) 8.805 3.324 ( 4.454 2.560 -3.800) 6.390 3.406 ( 3.116 1.514 1.531) 3.787 3.419 ( 4.033 -2.670 0.404) 4.853 3.479 ( -2.989 -1.282 -5.162) 6.101 3.685 ( -8.339 -4.995 3.184) 10.229 3.885 ( 4.345 2.169 2.633) 5.524 4.094 ( -1.014 2.770 5.525) 6.263 4.261 ( 9.954 4.355 2.569) 11.165 4.318 ( -2.332 2.644 2.149) 4.129 4.425 ( 1.220 -1.462 -4.248) 4.655 4.705 ( 0.173 -0.092 -3.233) 3.239 4.790 ( -5.636 -1.986 -2.842) 6.617 5.010 ( -9.872 -3.990 -2.245) 10.882 5.215 ( 1.070 -0.484 0.520) 1.284 5.492 ( 0.295 -3.019 -7.805) 8.374 5.616 ( 0.446 3.041 1.929) 3.629 5.891 ( -1.399 -2.395 5.132) 5.833 6.069 ( 0.321 1.231 1.419) 1.906 6.139 ( 4.734 0.416 -1.574) 5.006 6.356 ( -2.902 -0.351 0.570) 2.978 7.288 ( -1.292 0.505 -1.559) 2.087 7.715 ( 0.175 1.352 -2.333) 2.702 7.871 ( 7.464 -1.262 2.466) 7.962 8.031 ( -3.813 3.346 1.186) 5.209 8.151 ( 5.416 1.359 -0.668) 5.624 8.386 ( 2.318 -7.373 -1.024) 7.796 8.552 ( -12.276 -4.905 1.324) 13.286 8.619 ( 0.160 7.658 4.693) 8.983 9.064 ( -3.473 -8.043 -6.308) 10.795 9.222 ( 8.543 6.990 -3.646) 11.625 9.378 ( -4.824 -0.816 7.681) 9.107 9.567 ( 3.873 -1.723 -6.518) 7.775 9.852 ( -0.578 0.722 2.159) 2.349 9.904 ( -7.005 3.167 -0.115) 7.688 10.174 ( -2.091 -5.471 -0.409) 5.872 10.667 ( -0.606 4.264 -0.230) 4.313 10.743 ( 0.481 -3.796 4.209) 5.688 10.867 ( -2.049 -4.828 -3.859) 6.511 11.472 ( 0.441 1.154 -1.505) 1.947 11.552 ( 6.033 4.551 0.486) 7.572 11.974 ( 1.847 -2.739 4.897) 5.907 12.084 ( -1.457 6.355 0.281) 6.526 12.122 ( 4.698 -0.683 -1.394) 4.948 12.616 ( -9.440 -6.300 -1.124) 11.405 13.204 ( 4.314 2.387 -1.336) 5.108 13.402 ( -0.490 2.797 -1.013) 3.015 13.519 ( -3.197 -6.151 2.101) 7.244 13.737 ( -1.460 -2.884 -3.175) 4.531 13.907 ( 2.031 -0.567 0.966) 2.320 14.033 ( -4.918 4.110 -0.707) 6.448 14.562 ( 0.478 3.424 5.365) 6.383 15.005 ( 0.042 -6.702 -3.126) 7.395 15.211 ( -1.963 -2.170 0.745) 3.020 15.513 ( -2.279 -0.737 -0.692) 2.493 16.596 ( -0.365 8.375 1.953) 8.607 16.932 ( 2.787 -3.341 -2.077) 4.821 17.368 ( 2.087 -4.085 9.544) 10.589 17.516 ( -2.651 5.006 -9.210) 10.813 18.579 ( 15.438 7.188 4.226) 17.546 18.813 ( 5.405 3.626 -0.598) 6.535 19.150 ( -0.708 -2.803 -3.741) 4.728 19.632 ( 8.361 3.316 -0.576) 9.013 19.849 ( 0.113 5.200 9.132) 10.509 20.184 ( -4.540 -4.424 -4.352) 7.690 20.664 ( -3.311 -4.623 2.626) 6.263 20.856 ( -8.516 -0.141 -3.410) 9.175 21.607 ( 7.409 2.672 3.429) 8.590 21.900 ( -12.604 -7.145 -4.147) 15.070 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 8.319 25.069 5.617) 27.004 0.762 ( 0.006 32.971 10.432) 34.583 1.141 ( -4.309 41.567 32.463) 52.918 2.636 ( -0.713 3.598 -9.875) 10.534 2.648 ( 2.101 4.216 -8.542) 9.755 2.788 ( -1.101 -4.036 5.275) 6.732 2.904 ( 0.368 0.090 3.344) 3.365 2.933 ( -0.289 1.410 3.828) 4.090 3.267 ( 0.145 -7.751 0.552) 7.772 3.472 ( 2.158 -8.958 0.334) 9.221 3.547 ( -2.528 -2.378 -2.142) 4.079 3.672 ( -3.938 0.721 -6.241) 7.415 3.884 ( 7.431 7.797 3.710) 11.392 3.979 ( -3.116 7.991 -1.112) 8.649 4.299 ( 2.165 -6.134 0.849) 6.560 4.448 ( -2.893 -2.897 -4.254) 5.904 4.578 ( 1.047 5.291 -6.943) 8.792 4.781 ( -2.389 -6.545 6.907) 9.811 4.873 ( 2.206 -1.336 10.396) 10.711 5.305 ( -3.054 -2.141 -6.972) 7.907 5.371 ( 1.947 3.090 -14.057) 14.524 5.404 ( 0.989 2.002 -2.009) 3.004 5.841 ( -0.607 0.376 9.571) 9.597 5.915 ( -0.833 -4.749 -7.436) 8.863 5.980 ( -0.826 2.181 1.433) 2.738 6.076 ( 0.612 -3.826 11.491) 12.127 6.373 ( 0.047 1.685 -0.973) 1.946 6.992 ( 0.198 7.058 -4.475) 8.359 7.694 ( 0.425 -2.291 6.610) 7.009 7.848 ( 5.046 -1.600 -2.062) 5.681 7.973 ( -5.650 -1.771 0.681) 5.960 8.161 ( 0.387 11.523 -1.588) 11.639 8.309 ( -1.276 4.508 -7.776) 9.078 8.742 ( -5.618 -19.786 2.277) 20.694 8.935 ( -0.555 -4.350 -2.125) 4.873 9.076 ( -8.285 3.706 -0.398) 9.085 9.188 ( 8.016 0.846 -6.127) 10.125 9.424 ( 3.800 9.107 -5.649) 11.371 9.696 ( -2.275 8.979 -20.732) 22.707 10.020 ( 1.617 -7.168 3.311) 8.060 10.078 ( 1.372 -3.461 7.886) 8.721 10.758 ( 2.682 -7.093 9.063) 11.817 10.879 ( 1.268 -5.466 -3.682) 6.711 10.907 ( -3.096 -4.513 -0.725) 5.520 11.049 ( 0.165 2.911 -3.775) 4.771 11.306 ( 0.765 -0.843 -8.714) 8.788 11.499 ( -1.955 -2.870 -1.491) 3.780 11.631 ( -1.340 -4.485 3.267) 5.708 11.752 ( 2.320 5.281 -0.571) 5.796 12.033 ( -4.806 9.752 2.196) 11.092 12.783 ( -0.249 4.713 -3.240) 5.724 13.179 ( 1.322 6.178 2.225) 6.699 13.327 ( 0.114 0.350 -0.939) 1.008 13.628 ( 2.586 5.301 -17.964) 18.908 14.046 ( -2.187 -15.774 -0.085) 15.925 14.255 ( -7.353 2.876 -5.408) 9.570 14.327 ( 0.010 -4.641 1.589) 4.906 14.445 ( 0.420 -8.119 0.004) 8.130 15.459 ( -3.751 14.494 -2.773) 15.226 15.559 ( 12.911 -10.478 48.492) 51.263 15.957 ( 0.398 -15.597 2.026) 15.733 16.314 ( -2.863 -23.916 5.000) 24.600 16.841 ( 3.226 -0.838 1.527) 3.666 17.120 ( -4.863 5.471 -3.212) 7.994 17.361 ( 10.060 6.501 0.985) 12.019 17.710 ( -3.420 3.484 2.580) 5.521 17.877 ( -7.452 13.544 0.329) 15.462 18.016 ( 1.338 29.345 -3.972) 29.643 18.796 ( -4.066 22.015 -32.570) 39.521 19.907 ( 9.304 -26.909 54.696) 61.663 20.898 ( -3.060 -3.507 1.794) 4.988 21.041 ( 5.241 -4.735 -3.046) 7.692 21.441 ( -0.844 -3.971 -1.984) 4.518 21.494 ( -2.794 -1.002 2.426) 3.833 22.968 ( -0.012 -10.999 -2.221) 11.221 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 10.143 24.268 5.842) 26.944 1.207 ( 16.215 25.890 7.124) 31.369 1.819 ( 19.186 29.979 25.317) 43.678 2.626 ( 0.099 3.866 -11.170) 11.821 2.682 ( -2.084 0.226 -2.741) 3.451 2.754 ( 2.552 2.082 -2.605) 4.199 2.945 ( 0.705 2.065 4.588) 5.081 2.967 ( 0.904 -2.137 2.876) 3.696 3.161 ( -5.150 -0.316 2.078) 5.562 3.335 ( -0.646 -9.181 -0.674) 9.228 3.572 ( -0.691 3.507 -1.135) 3.751 3.599 ( 0.695 -3.285 -4.269) 5.431 4.004 ( 0.026 0.952 -3.217) 3.355 4.107 ( 9.018 2.520 3.446) 9.977 4.254 ( -1.460 -4.504 3.132) 5.677 4.367 ( -3.102 0.244 -1.551) 3.476 4.557 ( -2.801 -0.694 -12.517) 12.845 4.691 ( -3.583 -3.814 10.398) 11.641 4.935 ( 0.662 1.147 8.625) 8.726 5.166 ( -4.229 -1.336 -12.843) 13.587 5.393 ( 4.243 3.230 -21.810) 22.453 5.481 ( 3.094 0.711 9.888) 10.385 5.792 ( -3.695 -5.782 -5.950) 9.082 5.859 ( -0.213 -1.354 1.296) 1.886 6.003 ( 0.301 3.008 0.546) 3.072 6.069 ( -2.916 -3.062 15.601) 16.164 6.400 ( 1.686 0.931 -1.845) 2.667 7.104 ( 4.551 9.985 -4.950) 12.038 7.687 ( -4.080 0.131 6.383) 7.577 7.796 ( 2.259 -5.942 3.659) 7.335 8.055 ( 2.126 0.523 -5.924) 6.316 8.179 ( -3.756 10.446 -2.615) 11.405 8.345 ( 3.563 0.358 -3.090) 4.729 8.503 ( -3.378 -11.886 -3.407) 12.818 8.867 ( -5.930 -0.729 -5.146) 7.885 8.890 ( 2.036 -4.296 3.427) 5.861 9.401 ( 4.479 -1.609 -0.831) 4.831 9.478 ( 0.763 -1.322 -5.485) 5.694 9.665 ( 0.311 1.820 -8.940) 9.128 9.886 ( -8.510 -3.700 5.820) 10.954 10.142 ( 2.015 2.259 6.708) 7.360 10.636 ( -7.094 -6.844 -1.380) 9.953 10.785 ( -3.157 -7.826 3.262) 9.048 10.840 ( -1.240 -3.815 -3.280) 5.182 11.089 ( 1.209 1.879 -2.149) 3.100 11.236 ( -1.229 -0.687 -14.493) 14.561 11.445 ( -2.219 1.868 5.870) 6.548 11.657 ( 8.943 -7.652 3.424) 12.258 11.891 ( 2.670 9.334 3.039) 10.173 12.006 ( -4.121 1.441 -1.625) 4.659 12.840 ( 2.464 5.442 -3.609) 6.979 13.197 ( -0.390 -1.385 0.462) 1.511 13.464 ( 3.990 8.231 2.204) 9.409 13.617 ( -2.170 2.090 -4.621) 5.517 13.847 ( -0.141 -17.825 -4.761) 18.451 14.137 ( -4.667 -0.686 0.239) 4.723 14.277 ( -1.038 -5.982 -0.299) 6.078 14.319 ( -1.332 -7.492 -3.070) 8.205 15.439 ( -11.236 8.552 7.340) 15.914 15.696 ( -12.931 -13.400 6.447) 19.706 15.832 ( 1.700 -2.650 2.210) 3.846 16.184 ( 11.408 -7.210 20.569) 24.601 16.788 ( -10.195 2.474 -9.165) 13.930 17.173 ( 17.774 -6.985 2.226) 19.227 17.585 ( -5.000 18.077 10.155) 21.328 17.837 ( -10.507 19.359 -9.284) 23.903 17.933 ( 22.704 3.929 -5.102) 23.600 18.484 ( 16.497 26.396 -1.785) 31.178 18.876 ( 4.206 9.137 -14.485) 17.635 19.964 ( -2.146 -9.801 38.867) 40.141 20.766 ( -6.524 -5.714 -1.518) 8.804 21.058 ( -0.107 -4.604 3.816) 5.981 21.320 ( -1.581 -7.534 -5.174) 9.276 21.425 ( -4.718 -1.504 -1.187) 5.092 22.748 ( -8.373 -14.716 -3.969) 17.391 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 9.105 21.272 4.390) 23.552 1.779 ( 18.419 18.835 0.593) 26.351 2.336 ( 6.071 4.855 2.071) 8.045 2.576 ( -3.022 -3.662 1.668) 5.033 2.739 ( 1.680 3.409 4.301) 5.739 2.805 ( 1.407 8.523 2.833) 9.092 2.966 ( 4.832 6.673 -4.645) 9.458 3.021 ( 2.371 2.203 5.421) 6.314 3.196 ( 4.379 4.407 3.011) 6.904 3.283 ( 4.115 -6.317 -5.142) 9.126 3.553 ( -1.167 -2.426 0.005) 2.692 3.626 ( 1.645 6.315 2.897) 7.140 3.942 ( -2.443 -6.384 -0.637) 6.865 4.152 ( -0.610 -7.157 -2.206) 7.514 4.272 ( 1.414 1.267 2.404) 3.064 4.344 ( -0.966 1.252 4.082) 4.378 4.394 ( -3.509 -8.702 -6.070) 11.176 4.680 ( -2.060 4.912 3.337) 6.285 4.995 ( -2.565 3.145 0.462) 4.084 5.056 ( 1.002 0.820 -7.455) 7.567 5.388 ( 3.745 0.397 -23.099) 23.404 5.529 ( -5.642 -5.691 6.030) 10.029 5.632 ( -5.092 1.384 0.908) 5.354 5.862 ( 4.902 -4.649 -1.946) 7.030 6.019 ( -0.669 -0.575 4.443) 4.530 6.085 ( -1.317 2.503 9.640) 10.047 6.419 ( 0.407 -0.035 -1.490) 1.545 7.283 ( 4.440 12.051 -5.109) 13.821 7.670 ( 0.302 -0.998 6.693) 6.773 7.801 ( 2.299 -8.051 1.793) 8.562 7.947 ( -9.296 7.653 -5.290) 13.152 8.201 ( 1.651 -6.312 1.263) 6.645 8.398 ( 3.522 3.479 1.033) 5.057 8.443 ( 1.578 -4.854 -3.245) 6.048 8.795 ( 0.100 4.484 -4.205) 6.148 8.945 ( 7.075 -7.717 -1.874) 10.636 9.320 ( -4.573 -7.336 -2.266) 8.936 9.330 ( -5.395 -10.823 -0.495) 12.103 9.640 ( -4.193 1.611 -3.322) 5.587 9.849 ( 0.565 5.525 3.782) 6.719 10.206 ( -4.300 5.237 5.647) 8.821 10.430 ( -8.320 -2.848 -7.071) 11.284 10.625 ( -2.870 -10.842 5.082) 12.313 10.805 ( 0.419 -3.296 2.747) 4.311 11.011 ( -6.183 1.537 -6.775) 9.300 11.291 ( 6.278 7.889 -9.276) 13.700 11.463 ( -0.119 -0.521 5.208) 5.235 11.762 ( 10.062 -8.769 1.753) 13.462 11.936 ( -0.308 -2.552 3.788) 4.578 12.057 ( 3.472 8.627 -0.051) 9.299 12.921 ( 1.781 4.144 -6.330) 7.772 13.174 ( -2.573 -2.142 1.877) 3.839 13.397 ( -6.825 -5.822 1.106) 9.038 13.589 ( -3.174 -0.772 -4.679) 5.706 13.777 ( 3.957 -5.616 -2.778) 7.411 14.046 ( -6.327 -0.366 5.288) 8.255 14.149 ( -2.467 -1.463 1.427) 3.204 14.335 ( 9.536 -6.414 -9.845) 15.133 15.336 ( -6.451 -7.887 1.260) 10.267 15.371 ( -18.832 2.068 21.564) 28.704 15.696 ( -5.854 -3.171 -5.021) 8.339 16.565 ( 18.061 -0.361 9.891) 20.595 16.650 ( -4.585 7.822 -9.125) 12.864 17.328 ( 6.367 -8.526 3.527) 11.211 17.729 ( -6.694 14.378 -2.348) 16.033 17.946 ( 8.178 22.331 5.614) 24.435 18.354 ( 20.034 7.343 -5.829) 22.119 18.974 ( 6.929 -0.265 -8.216) 10.751 19.031 ( 18.616 20.350 -1.509) 27.622 19.995 ( -4.899 1.541 28.130) 28.595 20.541 ( -10.641 -7.445 -2.396) 13.206 20.921 ( -9.614 -7.791 3.348) 12.820 21.224 ( -5.973 0.546 -9.592) 11.313 21.338 ( 4.888 -9.035 2.932) 10.683 22.384 ( -12.779 -15.332 -5.427) 20.684 ======================= Grid point 13 (9/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 7.800 12.008 2.759) 14.583 2.144 ( 6.462 13.271 -5.434) 15.729 2.295 ( -6.743 -4.533 2.853) 8.611 2.536 ( -0.565 1.174 -2.934) 3.210 2.800 ( 6.727 5.421 0.544) 8.656 2.886 ( 1.068 -4.151 4.497) 6.212 3.049 ( -3.023 5.782 6.800) 9.424 3.263 ( 9.044 4.003 -3.012) 10.339 3.278 ( 4.273 -0.614 -2.812) 5.152 3.357 ( 5.761 4.617 1.056) 7.458 3.485 ( -3.088 -2.583 -1.591) 4.329 3.779 ( -3.865 -1.724 4.963) 6.523 3.841 ( 3.567 1.358 4.018) 5.542 4.104 ( 4.457 -3.972 2.619) 6.519 4.226 ( -2.663 -6.909 -5.320) 9.118 4.255 ( 0.055 1.373 -6.084) 6.237 4.400 ( 3.053 -0.642 8.008) 8.594 4.740 ( 1.399 2.625 4.426) 5.333 4.869 ( -9.470 0.096 -5.242) 10.825 5.154 ( 2.542 4.551 -3.662) 6.370 5.253 ( -14.415 -2.386 -0.295) 14.614 5.367 ( 4.572 0.085 -17.501) 18.089 5.630 ( -0.063 -1.990 2.406) 3.123 5.894 ( 2.226 -5.022 6.253) 8.323 6.055 ( 2.786 0.930 3.249) 4.380 6.121 ( -0.792 4.101 1.631) 4.484 6.393 ( -2.162 -1.086 -1.034) 2.631 7.381 ( -4.514 8.429 -2.630) 9.917 7.723 ( 1.000 1.312 -1.979) 2.577 7.760 ( 4.757 -1.091 3.674) 6.109 7.988 ( 7.070 2.803 1.135) 7.690 8.174 ( -3.178 -1.345 4.801) 5.913 8.291 ( -2.759 -7.163 -3.953) 8.634 8.573 ( 5.097 1.599 2.649) 5.963 8.760 ( -6.928 -5.283 -0.096) 8.713 8.892 ( 4.090 -12.555 -9.937) 16.525 9.180 ( 1.008 0.134 -4.969) 5.072 9.319 ( 6.955 -1.894 8.839) 11.406 9.539 ( -6.141 -0.626 -3.374) 7.035 9.936 ( -0.870 5.486 0.566) 5.583 10.099 ( -7.175 -4.015 -2.322) 8.544 10.228 ( -11.521 3.996 1.325) 12.266 10.628 ( 6.413 -2.023 3.190) 7.443 10.765 ( -2.833 -4.926 6.404) 8.562 10.930 ( -5.519 9.505 -7.961) 13.571 11.414 ( 3.801 -0.769 -5.725) 6.915 11.524 ( 4.545 5.764 4.667) 8.698 11.830 ( 7.820 -9.112 1.365) 12.084 11.954 ( 5.368 -5.781 -2.601) 8.307 12.197 ( 1.068 7.657 4.610) 9.001 12.788 ( -14.299 -2.069 -3.692) 14.912 13.140 ( 3.694 1.894 -2.130) 4.666 13.385 ( 6.110 -2.085 0.617) 6.486 13.462 ( -3.416 -8.488 -2.874) 9.591 13.678 ( -2.971 -7.383 -2.233) 8.266 13.977 ( -4.725 2.241 3.538) 6.314 14.175 ( -3.187 6.423 -0.654) 7.200 14.397 ( 9.763 -6.406 -10.119) 15.452 15.127 ( -4.323 -12.398 16.384) 20.996 15.273 ( -11.327 9.260 13.107) 19.642 15.588 ( -4.152 3.546 -5.551) 7.786 16.547 ( 3.355 -8.929 -14.405) 17.276 16.910 ( 3.928 14.637 0.576) 15.166 17.343 ( 2.666 -6.923 14.788) 16.544 17.683 ( -9.784 12.837 -8.688) 18.330 18.438 ( 18.347 13.512 10.163) 24.949 18.691 ( 11.203 7.772 -3.902) 14.182 19.020 ( 5.122 -5.469 -6.205) 9.729 19.480 ( 13.845 10.552 -1.120) 17.444 20.046 ( -5.919 5.722 16.039) 18.028 20.269 ( -10.076 -3.706 -2.071) 10.934 20.676 ( -6.549 -10.244 1.716) 12.279 21.021 ( -11.923 -0.045 -6.659) 13.657 21.444 ( 11.768 -4.286 2.698) 12.812 21.994 ( -11.944 -13.008 -5.361) 18.455 ======================= Grid point 14 (10/125) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -2.339 4.016 -1.577) 4.908 2.126 ( -7.005 -7.919 12.544) 16.406 2.334 ( 3.806 11.725 -4.457) 13.109 2.565 ( 0.988 6.275 -0.615) 6.382 2.758 ( -3.921 -10.036 1.073) 10.828 2.990 ( -0.710 4.273 -4.906) 6.545 3.045 ( -2.874 -0.253 2.513) 3.826 3.317 ( 5.570 -3.010 -2.807) 6.926 3.380 ( 1.143 1.773 0.120) 2.113 3.463 ( 1.998 4.748 2.761) 5.844 3.488 ( 2.332 3.297 -0.837) 4.124 3.638 ( -4.077 -1.243 1.410) 4.489 3.891 ( 0.701 -2.229 0.244) 2.349 4.079 ( -4.727 -5.677 -8.154) 11.003 4.136 ( 6.060 -5.444 -4.601) 9.356 4.354 ( 3.016 -1.283 2.992) 4.438 4.515 ( -10.646 -1.018 -0.913) 10.734 4.686 ( 7.347 7.264 8.816) 13.581 4.749 ( -0.854 -6.241 1.935) 6.590 5.071 ( -6.731 5.329 6.433) 10.728 5.214 ( 1.257 4.936 -8.352) 9.783 5.460 ( 7.744 4.832 -7.293) 11.684 5.584 ( -1.337 -5.897 1.319) 6.189 5.896 ( 0.375 -1.826 2.099) 2.808 6.077 ( -2.919 -0.138 3.768) 4.769 6.196 ( 2.835 4.075 0.220) 4.969 6.322 ( -2.314 -2.084 -2.586) 4.048 7.349 ( -4.528 5.873 0.315) 7.423 7.733 ( -1.032 0.883 0.183) 1.370 7.887 ( 6.447 0.566 2.161) 6.823 8.046 ( -9.658 -2.063 1.066) 9.934 8.192 ( -2.113 -3.181 -1.533) 4.115 8.242 ( 17.100 1.014 1.001) 17.160 8.550 ( -3.769 2.330 2.547) 5.111 8.578 ( -5.056 -10.736 -3.676) 12.423 8.949 ( 15.668 -3.152 -3.160) 16.291 9.204 ( -0.058 -3.364 -6.993) 7.761 9.408 ( -4.971 0.658 4.372) 6.653 9.492 ( 4.619 0.760 4.947) 6.811 9.822 ( -4.009 -5.630 -5.993) 9.148 10.009 ( -2.544 1.809 0.913) 3.252 10.215 ( -1.801 10.993 3.884) 11.798 10.656 ( -3.609 -3.545 0.707) 5.108 10.746 ( 2.728 0.724 3.204) 4.270 10.961 ( -1.404 13.645 -2.877) 14.015 11.418 ( 2.553 -4.707 -0.565) 5.385 11.632 ( -3.692 2.078 2.073) 4.717 11.877 ( 8.228 -9.763 1.437) 12.848 11.937 ( 1.693 -5.508 -8.244) 10.059 12.227 ( -3.218 -0.161 1.886) 3.733 12.638 ( -2.209 9.527 0.266) 9.783 13.225 ( 1.184 0.953 -2.690) 3.090 13.320 ( 1.647 -9.249 0.343) 9.401 13.486 ( 4.303 0.385 0.179) 4.324 13.624 ( 6.916 -4.316 -3.124) 8.730 13.950 ( -2.395 2.022 3.531) 4.722 14.108 ( -8.402 3.999 -2.150) 9.550 14.421 ( 3.293 -5.049 -9.749) 11.462 15.065 ( 3.731 -13.720 14.576) 20.362 15.300 ( -5.434 14.216 13.950) 20.646 15.573 ( -3.123 9.505 -3.074) 10.467 16.431 ( 1.799 -12.168 -13.895) 18.557 17.009 ( -1.697 8.020 -8.532) 11.832 17.439 ( 2.116 -0.591 22.520) 22.627 17.582 ( -9.540 7.910 -9.284) 15.484 18.767 ( 6.928 -3.820 -0.169) 7.913 18.790 ( -9.094 4.324 0.676) 10.092 19.044 ( 7.822 -3.424 -1.407) 8.654 19.650 ( 1.314 -0.405 0.119) 1.381 19.955 ( -11.778 0.857 0.087) 11.810 20.223 ( 1.104 8.089 2.997) 8.696 20.603 ( 4.751 -3.378 4.261) 7.221 20.819 ( -5.539 0.275 -5.619) 7.895 21.604 ( 3.114 -6.364 -1.747) 7.297 21.760 ( 5.106 -2.206 0.582) 5.593 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -19.004 2.217 4.603) 19.679 2.019 ( -6.709 -9.028 7.287) 13.402 2.448 ( 0.026 3.127 0.584) 3.182 2.519 ( -0.149 -8.735 0.302) 8.741 2.752 ( 2.435 10.073 1.173) 10.429 2.903 ( -7.134 -2.464 -5.294) 9.219 2.971 ( -2.567 2.266 -3.710) 5.048 3.289 ( -10.734 -3.668 3.859) 11.982 3.334 ( -2.214 -1.649 -6.441) 7.007 3.455 ( -0.778 -2.399 1.674) 3.026 3.578 ( 2.741 5.307 4.614) 7.547 3.681 ( -12.697 -5.070 -8.183) 15.934 3.851 ( 7.467 5.122 -3.850) 9.840 3.949 ( 3.758 -2.265 -7.480) 8.672 4.138 ( -6.232 -5.031 1.859) 8.222 4.232 ( 8.970 -1.778 -2.672) 9.526 4.538 ( 4.528 2.400 6.667) 8.409 4.644 ( -4.258 -4.789 0.196) 6.411 4.977 ( -1.736 3.854 8.024) 9.069 5.056 ( 5.645 1.423 7.299) 9.336 5.335 ( 5.836 9.066 -6.771) 12.732 5.494 ( -0.672 -4.844 3.409) 5.962 5.625 ( 6.399 4.496 -0.653) 7.848 5.881 ( -0.646 -0.289 -5.786) 5.829 6.001 ( -4.552 -4.944 4.659) 8.177 6.181 ( -5.842 3.177 -3.874) 7.696 6.346 ( 4.817 0.034 0.007) 4.817 7.353 ( -3.275 4.657 3.658) 6.767 7.709 ( -0.949 -2.092 2.751) 3.584 7.816 ( -9.594 -5.491 -2.210) 11.273 8.003 ( 5.011 3.198 0.392) 5.957 8.211 ( 3.322 4.236 1.916) 5.714 8.315 ( -5.553 -9.868 -7.400) 13.527 8.545 ( 6.615 5.557 4.877) 9.921 8.679 ( 11.706 4.880 -4.993) 13.630 9.016 ( -4.886 -9.122 -5.183) 11.573 9.236 ( 17.112 -0.792 1.385) 17.186 9.334 ( -6.447 -3.238 -2.476) 7.628 9.506 ( -0.236 0.099 5.582) 5.588 9.836 ( 6.712 -2.469 2.084) 7.449 10.004 ( -4.200 5.322 3.523) 7.640 10.344 ( 2.270 11.456 -0.231) 11.681 10.567 ( -0.479 -6.551 4.023) 7.703 10.802 ( 1.711 4.090 -5.655) 7.186 11.108 ( 1.902 13.831 1.301) 14.022 11.410 ( 1.176 -5.812 3.795) 7.040 11.451 ( -11.114 -3.879 -1.518) 11.869 11.804 ( -1.237 -10.401 -7.495) 12.879 11.977 ( 6.935 -0.688 -5.366) 8.796 12.147 ( -6.010 -2.465 3.564) 7.409 12.846 ( 8.470 13.998 1.333) 16.415 13.168 ( -4.017 -1.180 -0.580) 4.226 13.306 ( 5.099 -7.138 -0.331) 8.778 13.595 ( 5.033 2.254 -1.064) 5.616 13.745 ( 9.045 -0.815 -4.510) 10.139 13.973 ( 2.826 -1.232 5.179) 6.027 13.996 ( -7.829 3.560 3.460) 9.270 14.370 ( 2.006 -1.054 -12.526) 12.729 15.094 ( 8.744 -12.482 12.871) 19.948 15.423 ( -0.777 9.222 5.954) 11.005 15.656 ( -3.168 17.139 5.482) 18.271 16.242 ( -1.552 -14.901 -12.758) 19.678 17.011 ( 0.509 2.831 -7.225) 7.776 17.382 ( -12.871 4.022 -8.900) 16.157 17.575 ( 0.259 -1.073 19.900) 19.931 18.504 ( -21.975 1.517 -1.340) 22.068 18.678 ( -7.701 -7.029 -4.450) 11.336 19.150 ( 8.901 -6.226 2.181) 11.079 19.515 ( -14.708 -7.452 0.613) 16.499 19.708 ( -14.272 0.456 -5.826) 15.422 20.419 ( 6.385 10.351 8.385) 14.772 20.698 ( 6.950 2.227 -6.508) 9.778 20.887 ( 11.028 0.792 3.318) 11.544 21.501 ( -0.428 -4.753 -3.491) 5.913 22.044 ( 18.222 3.805 2.855) 18.833 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -25.975 5.303 8.760) 27.921 1.639 ( -22.536 -14.801 1.346) 26.995 2.378 ( -20.217 -1.944 -11.010) 23.103 2.511 ( 6.325 -2.756 3.147) 7.583 2.722 ( -4.011 -0.425 5.853) 7.108 2.891 ( 2.184 4.453 -4.245) 6.529 2.953 ( -3.115 1.027 2.238) 3.971 3.053 ( -10.505 0.481 -2.692) 10.855 3.188 ( -10.977 -4.354 -1.976) 11.974 3.273 ( -0.786 -2.537 -2.895) 3.929 3.583 ( 3.692 0.711 -2.660) 4.606 3.662 ( 0.615 -0.484 -0.108) 0.791 3.896 ( 3.072 -2.631 0.383) 4.062 4.070 ( 2.654 2.177 5.770) 6.714 4.171 ( 7.536 4.476 -7.306) 11.411 4.401 ( 10.123 1.727 0.223) 10.272 4.476 ( -5.730 -4.364 -1.436) 7.344 4.688 ( 4.412 0.872 4.844) 6.609 4.883 ( -8.043 0.201 3.595) 8.812 5.234 ( 3.914 1.882 12.044) 12.804 5.342 ( 1.290 -3.098 -11.920) 12.383 5.650 ( 8.811 7.643 4.433) 12.478 5.731 ( -5.026 0.389 14.069) 14.945 5.825 ( 4.256 0.486 -16.882) 17.417 5.895 ( -1.107 -7.073 -0.064) 7.159 6.097 ( -5.355 2.891 -3.944) 7.251 6.409 ( 1.671 0.112 0.812) 1.861 7.297 ( -9.193 0.585 5.196) 10.577 7.663 ( -1.938 -0.325 -2.933) 3.530 7.702 ( 1.723 -3.963 2.529) 5.007 8.106 ( -2.510 3.715 -4.690) 6.488 8.209 ( 6.578 2.145 0.192) 6.922 8.323 ( 4.480 0.394 0.565) 4.533 8.623 ( -9.414 -4.459 -9.154) 13.868 8.703 ( 3.618 5.594 6.083) 9.022 9.037 ( 5.586 -10.516 -6.063) 13.363 9.241 ( 7.241 5.080 -2.030) 9.075 9.466 ( 8.082 -2.540 -2.708) 8.894 9.618 ( 5.401 7.394 10.187) 13.697 9.857 ( -1.404 -5.133 2.006) 5.687 10.001 ( -1.845 1.392 6.457) 6.858 10.494 ( 2.039 8.556 0.738) 8.826 10.597 ( 10.179 -4.234 0.739) 11.049 10.847 ( 2.889 1.873 -6.568) 7.416 11.216 ( -5.573 -6.816 2.196) 9.075 11.305 ( 2.238 13.772 -3.559) 14.400 11.402 ( -1.565 -1.453 7.003) 7.321 11.633 ( -2.657 -6.289 -10.783) 12.762 11.990 ( -5.642 -5.869 2.015) 8.387 12.079 ( 2.995 1.585 -2.974) 4.509 12.984 ( -5.938 0.025 3.216) 6.753 13.170 ( 4.016 5.075 -6.142) 8.923 13.411 ( 11.697 0.837 2.891) 12.078 13.582 ( -7.362 -1.443 3.155) 8.139 13.817 ( 2.012 1.733 -7.998) 8.428 14.009 ( 5.659 0.035 6.844) 8.881 14.098 ( 9.615 0.792 2.012) 9.855 14.387 ( 3.165 2.327 -12.081) 12.704 15.256 ( 16.276 -8.576 13.217) 22.652 15.475 ( 0.480 -1.856 0.969) 2.148 15.816 ( -6.678 21.030 10.274) 24.339 16.002 ( -1.675 -11.606 -12.303) 16.996 17.037 ( 3.710 -0.522 -6.069) 7.133 17.135 ( -13.090 1.832 -6.856) 14.890 17.595 ( -4.302 -5.647 18.429) 19.749 18.144 ( -21.236 6.243 -1.787) 22.206 18.382 ( -14.916 -5.829 -7.476) 17.673 19.060 ( -26.795 -7.492 0.419) 27.826 19.253 ( 10.745 -8.120 -11.950) 18.005 19.449 ( -15.314 3.727 11.162) 19.313 20.653 ( 8.550 3.612 2.381) 9.582 20.843 ( 8.033 2.484 -1.076) 8.477 21.129 ( 11.695 2.881 3.065) 12.429 21.475 ( 2.190 -2.165 -4.037) 5.078 22.429 ( 19.782 3.431 1.580) 20.139 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -28.606 -12.868 6.524) 32.038 1.089 ( -29.759 13.649 3.809) 32.961 1.692 ( -43.729 -0.784 -7.111) 44.311 2.652 ( 6.859 1.215 2.433) 7.379 2.716 ( -1.652 -0.992 1.550) 2.473 2.812 ( -8.371 -0.007 -2.174) 8.649 2.904 ( -0.651 -2.573 0.222) 2.663 2.952 ( -3.127 2.086 -2.352) 4.434 3.138 ( 6.186 -2.375 1.269) 6.747 3.339 ( 5.608 5.113 -0.017) 7.589 3.592 ( -1.166 -5.896 -2.221) 6.408 3.653 ( 4.014 1.131 -3.709) 5.581 3.953 ( -3.461 4.625 8.298) 10.111 4.135 ( -5.524 -0.132 -4.984) 7.441 4.192 ( 3.652 -2.397 5.295) 6.865 4.420 ( 5.257 -1.907 -3.695) 6.703 4.596 ( 4.224 5.053 2.305) 6.977 4.706 ( 1.423 -3.296 -9.785) 10.423 4.816 ( -2.284 0.576 9.554) 9.840 5.295 ( 3.403 -2.120 -7.910) 8.868 5.357 ( 0.474 2.412 7.904) 8.278 5.605 ( -8.126 -0.228 -0.144) 8.130 5.813 ( -1.613 -2.375 -1.542) 3.259 5.863 ( 8.460 1.350 -2.349) 8.884 5.915 ( 6.007 -0.108 2.553) 6.528 6.020 ( -3.958 0.723 -2.360) 4.665 6.412 ( -1.364 0.104 0.390) 1.423 7.133 ( -9.825 0.158 0.849) 9.863 7.648 ( 1.298 -2.541 -0.919) 2.997 7.749 ( 3.572 3.597 3.733) 6.296 8.105 ( -0.833 4.985 -2.610) 5.688 8.213 ( -7.539 -11.835 -1.881) 14.158 8.353 ( 0.895 3.183 1.279) 3.545 8.580 ( 10.308 1.815 -7.682) 12.983 8.858 ( 4.206 7.352 1.240) 8.561 8.922 ( 2.023 -7.890 -3.205) 8.753 9.408 ( -2.336 4.916 -0.597) 5.475 9.524 ( -1.322 -1.053 -0.098) 1.693 9.735 ( 7.016 -4.570 4.168) 9.353 9.881 ( 8.105 0.863 -7.954) 11.389 10.014 ( -1.915 0.845 12.700) 12.872 10.618 ( 5.171 2.075 2.108) 5.958 10.770 ( 10.098 -0.237 -0.243) 10.103 10.882 ( 3.894 -2.368 -3.943) 6.026 11.099 ( -2.300 -2.014 0.731) 3.144 11.367 ( 0.991 -4.423 5.576) 7.185 11.412 ( -0.603 3.085 -11.777) 12.189 11.619 ( 2.328 9.662 2.512) 10.251 11.825 ( -6.779 -5.773 3.612) 9.609 12.087 ( -1.697 -0.376 -7.101) 7.311 12.867 ( -6.079 -0.070 -0.264) 6.085 13.209 ( -0.473 0.726 -2.369) 2.522 13.418 ( -7.862 -1.915 3.735) 8.912 13.632 ( 6.105 1.983 3.860) 7.491 13.924 ( 10.919 2.890 -3.158) 11.728 14.150 ( 9.781 -3.312 -3.341) 10.853 14.285 ( 9.293 0.443 -0.215) 9.306 14.383 ( -1.981 4.466 -7.234) 8.729 15.315 ( -2.823 -16.078 6.299) 17.496 15.637 ( 21.143 -2.361 3.646) 21.585 15.764 ( -16.782 12.356 6.739) 21.902 16.067 ( 11.425 3.645 -1.452) 12.080 16.896 ( -2.109 -10.420 -7.577) 13.055 17.142 ( -3.496 17.337 2.925) 17.926 17.454 ( -7.746 -10.214 10.094) 16.316 17.890 ( -11.377 -4.806 -1.517) 12.443 18.042 ( -17.735 7.574 -9.324) 21.421 18.495 ( -31.125 -1.778 -0.023) 31.176 19.112 ( -6.852 -0.814 -19.744) 20.915 19.518 ( 4.251 0.685 26.556) 26.903 20.800 ( 7.288 -0.630 -3.503) 8.111 20.992 ( 5.837 0.082 5.968) 8.349 21.347 ( 7.800 4.313 1.005) 8.969 21.468 ( 1.940 -3.614 -5.264) 6.674 22.775 ( 16.650 -0.016 -0.004) 16.650 ======================= Grid point 19 (14/125) ======================= q-point: ( 0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -12.732 23.259 -7.083) 27.446 1.203 ( -11.589 24.500 14.415) 30.697 1.929 ( -21.448 33.121 27.540) 48.119 2.590 ( 3.544 -0.150 -9.562) 10.199 2.635 ( -0.549 -0.003 -9.171) 9.187 2.796 ( -2.036 3.475 -0.659) 4.081 2.945 ( -1.034 1.180 4.068) 4.360 3.013 ( -5.327 1.706 5.648) 7.949 3.133 ( 5.819 -4.468 0.506) 7.354 3.339 ( 5.260 -0.466 0.277) 5.288 3.607 ( -3.814 -2.079 -0.685) 4.398 3.696 ( -3.903 -6.119 3.787) 8.186 3.849 ( 4.240 6.905 -7.949) 11.351 4.136 ( -3.499 -1.708 -3.796) 5.438 4.177 ( -1.494 -1.592 1.350) 2.567 4.434 ( 0.850 -4.363 -0.161) 4.448 4.587 ( 4.064 7.625 -4.040) 9.539 4.747 ( 3.852 -5.309 4.253) 7.818 4.824 ( 1.157 -4.368 7.363) 8.639 5.219 ( 3.626 -1.316 -11.131) 11.781 5.403 ( -5.091 5.306 -20.234) 21.529 5.433 ( -2.721 -0.088 7.913) 8.368 5.791 ( 3.396 -7.327 -7.212) 10.827 5.884 ( -0.180 -1.695 3.845) 4.206 6.030 ( -0.458 1.543 4.705) 4.973 6.088 ( 2.140 2.238 13.837) 14.179 6.394 ( -1.296 0.235 -1.774) 2.209 7.087 ( -3.792 8.893 -5.774) 11.260 7.701 ( 3.663 0.780 1.986) 4.240 7.713 ( -0.399 -4.259 2.617) 5.015 8.134 ( 0.930 2.796 2.567) 3.908 8.211 ( -8.790 0.358 -2.322) 9.098 8.319 ( 1.332 2.928 -4.288) 5.360 8.676 ( 5.280 -10.096 7.665) 13.732 8.857 ( 14.163 4.683 -0.051) 14.918 8.948 ( -11.585 -6.567 1.623) 13.415 9.395 ( -0.070 3.808 -15.221) 15.691 9.419 ( -7.614 2.409 -4.828) 9.332 9.668 ( 5.508 -5.490 -1.152) 7.861 9.874 ( 2.890 -4.159 -3.339) 6.066 10.033 ( 3.702 -3.507 9.824) 11.069 10.592 ( 6.512 -4.348 -3.440) 8.552 10.765 ( 4.253 -7.713 -1.225) 8.893 10.928 ( -1.942 -3.510 2.371) 4.660 11.068 ( -3.147 1.758 -4.128) 5.481 11.278 ( -3.238 -0.978 -8.462) 9.113 11.498 ( 7.734 4.978 0.903) 9.242 11.643 ( -3.558 -3.655 6.936) 8.610 11.809 ( -4.416 5.052 0.508) 6.729 12.161 ( -0.080 1.815 5.351) 5.651 12.847 ( -2.583 5.456 -3.039) 6.758 13.242 ( -0.061 4.260 2.249) 4.818 13.393 ( -6.506 2.101 0.121) 6.837 13.550 ( 5.583 1.918 -7.110) 9.241 13.911 ( 1.763 -10.881 -2.803) 11.373 14.191 ( 6.828 -8.310 2.251) 10.988 14.278 ( 4.841 -9.281 -0.972) 10.513 14.414 ( -4.613 3.000 -3.641) 6.598 15.416 ( 2.797 -16.299 17.453) 24.043 15.596 ( 6.639 -5.243 -0.791) 8.497 15.725 ( 4.350 11.366 0.496) 12.181 16.151 ( 3.255 -12.713 10.783) 16.985 16.947 ( -9.815 3.339 -1.237) 10.441 17.109 ( 5.037 5.084 -1.060) 7.235 17.360 ( -4.309 2.145 -4.165) 6.365 17.903 ( -5.029 12.188 0.753) 13.207 18.118 ( -5.025 19.376 2.364) 20.156 18.486 ( -18.992 24.057 -1.323) 30.679 19.043 ( -9.093 17.800 -19.956) 28.245 19.645 ( 8.073 -21.215 34.585) 41.369 20.828 ( 7.560 -4.969 -0.579) 9.066 20.942 ( -1.472 -5.594 -0.170) 5.787 21.316 ( 7.186 -5.889 -3.373) 9.884 21.527 ( -0.667 -2.122 3.602) 4.233 22.748 ( 8.378 -14.773 -3.913) 17.428 ======================= Grid point 20 (15/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 7.644 22.760 4.741) 24.473 1.480 ( 0.292 30.457 8.305) 31.571 2.113 ( -5.223 26.440 22.059) 34.828 2.630 ( 1.865 6.038 -6.439) 9.022 2.635 ( 3.903 2.414 -11.016) 11.934 2.803 ( -2.765 2.667 4.083) 5.607 2.922 ( -1.018 -3.145 4.494) 5.579 3.002 ( 0.086 5.112 2.567) 5.720 3.166 ( 1.708 -5.793 5.413) 8.110 3.362 ( -8.848 -0.796 0.896) 8.928 3.490 ( 3.936 -0.467 -5.005) 6.384 3.652 ( -1.205 1.523 -0.570) 2.024 3.967 ( 3.555 0.708 -9.156) 9.848 4.056 ( -0.950 0.025 2.065) 2.273 4.149 ( 2.604 -6.273 1.654) 6.991 4.415 ( 0.176 -2.450 -0.354) 2.482 4.579 ( -5.406 -0.549 -7.013) 8.872 4.755 ( -1.649 0.072 4.906) 5.177 4.901 ( 6.339 -3.509 10.665) 12.894 5.195 ( -0.330 -3.157 -7.990) 8.597 5.273 ( -2.153 5.595 -27.240) 27.892 5.476 ( 1.979 0.054 10.082) 10.275 5.705 ( 0.512 -6.517 -6.620) 9.303 5.888 ( -0.367 -2.704 2.998) 4.053 6.040 ( -1.718 1.594 1.861) 2.992 6.163 ( -2.024 1.689 13.578) 13.832 6.374 ( 0.552 -0.192 -2.579) 2.645 7.152 ( 0.994 12.676 -4.759) 13.577 7.703 ( 0.740 -3.381 7.604) 8.355 7.824 ( 5.127 1.623 -3.660) 6.505 7.969 ( -7.465 0.158 3.933) 8.439 8.255 ( 4.295 0.752 -3.447) 5.558 8.309 ( -0.360 -8.151 -3.223) 8.773 8.537 ( -10.375 3.337 3.300) 11.387 8.824 ( -0.368 -3.621 -1.349) 3.882 9.093 ( -12.751 1.183 -11.742) 17.374 9.223 ( 11.858 3.287 5.171) 13.348 9.396 ( 0.115 -4.607 -6.375) 7.866 9.659 ( -2.111 -4.884 -1.611) 5.559 9.917 ( 6.487 -3.688 1.443) 7.600 10.102 ( 2.950 -0.971 6.962) 7.623 10.572 ( 1.720 -13.348 -6.021) 14.744 10.764 ( -1.471 -6.022 -4.942) 7.928 10.787 ( -0.382 -2.692 6.300) 6.862 11.084 ( 1.334 3.346 -2.744) 4.529 11.203 ( -2.116 1.072 -10.628) 10.889 11.560 ( -3.656 3.267 2.356) 5.439 11.576 ( -1.890 -1.982 6.716) 7.253 11.888 ( 3.209 8.275 -3.237) 9.447 12.155 ( -4.633 -0.201 5.747) 7.384 12.870 ( -0.289 6.547 -3.780) 7.565 13.207 ( -3.719 -5.642 1.177) 6.859 13.436 ( 5.631 8.031 -0.992) 9.859 13.627 ( 1.472 -0.507 0.653) 1.689 13.739 ( -5.034 -7.138 -2.003) 8.962 14.197 ( 1.372 -9.441 1.670) 9.686 14.206 ( -0.313 -6.693 -0.957) 6.769 14.268 ( -6.324 -4.867 -7.661) 11.062 15.455 ( 8.922 -15.953 -1.048) 18.309 15.681 ( 9.333 -5.410 13.308) 17.131 15.885 ( -5.530 8.447 5.261) 11.385 16.059 ( -1.325 -5.859 10.070) 11.725 16.875 ( 3.795 2.351 1.528) 4.719 17.096 ( -13.299 1.093 -6.876) 15.011 17.558 ( 20.163 8.988 -3.183) 22.304 17.911 ( -5.175 13.097 9.333) 16.894 18.195 ( -12.318 17.598 -2.309) 21.604 18.579 ( 2.308 29.130 -8.509) 30.435 19.014 ( -7.029 16.733 -10.033) 20.738 19.815 ( 15.067 -16.584 31.160) 38.379 20.825 ( -5.719 -5.420 2.551) 8.282 20.894 ( 7.747 -7.858 -0.272) 11.038 21.296 ( -1.717 -7.882 -4.002) 9.005 21.472 ( -2.715 -2.767 1.068) 4.021 22.631 ( 0.022 -18.740 -5.191) 19.446 ======================= Grid point 21 (16/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 11.777 16.533 4.541) 20.800 1.828 ( 3.946 28.168 4.514) 28.799 2.314 ( 2.606 6.023 -2.969) 7.203 2.649 ( -1.545 1.398 -1.880) 2.806 2.747 ( -1.374 0.413 1.612) 2.158 2.847 ( 7.175 7.804 5.419) 11.905 2.924 ( -0.836 -0.870 6.105) 6.223 3.102 ( 1.579 8.333 4.369) 9.540 3.139 ( 1.200 -1.497 -0.746) 2.058 3.258 ( -3.209 7.544 0.076) 8.199 3.543 ( 1.558 0.906 0.111) 1.806 3.691 ( 0.600 6.055 3.518) 7.028 3.911 ( -1.581 -5.024 -1.983) 5.628 4.033 ( 1.921 -9.615 -1.008) 9.857 4.188 ( 3.321 -4.159 2.738) 5.985 4.378 ( -0.635 -0.128 -10.293) 10.313 4.414 ( -6.275 -5.090 2.081) 8.344 4.746 ( -1.006 -0.103 2.544) 2.738 5.005 ( 3.147 1.047 4.522) 5.608 5.105 ( -4.793 4.963 -9.390) 11.652 5.220 ( 4.521 -2.618 -21.396) 22.025 5.531 ( 0.999 -4.751 7.091) 8.594 5.677 ( 2.578 0.437 -2.197) 3.415 5.824 ( -4.853 -2.071 0.557) 5.305 6.014 ( -0.919 -1.816 -0.964) 2.252 6.192 ( -2.407 2.197 12.565) 12.980 6.390 ( 1.795 0.139 -2.104) 2.769 7.323 ( 4.521 14.445 -3.236) 15.478 7.705 ( 0.031 -4.029 4.120) 5.763 7.755 ( -5.375 0.148 1.759) 5.658 8.066 ( 5.587 4.065 2.577) 7.375 8.155 ( -4.028 -8.313 -3.434) 9.855 8.333 ( 4.268 1.925 -4.267) 6.335 8.425 ( -7.015 3.829 -0.425) 8.003 8.777 ( -0.473 -3.640 -4.476) 5.788 8.939 ( -4.943 2.618 1.738) 5.857 9.175 ( -2.378 -12.630 -5.465) 13.965 9.427 ( -4.194 -3.772 2.896) 6.341 9.561 ( 3.742 -5.020 -2.114) 6.608 9.981 ( -0.751 5.152 2.927) 5.973 10.227 ( 7.945 0.174 4.824) 9.296 10.374 ( -2.028 -12.862 -7.813) 15.185 10.693 ( -3.684 -3.638 -4.062) 6.581 10.750 ( -1.699 -3.865 8.971) 9.915 11.135 ( -4.635 7.179 -8.758) 12.236 11.177 ( 7.580 3.100 -7.338) 10.996 11.532 ( -3.289 0.921 8.309) 8.983 11.596 ( 1.599 -0.866 4.154) 4.535 11.914 ( -2.963 -3.250 -7.316) 8.536 12.143 ( -0.131 7.270 7.550) 10.482 12.919 ( 0.642 5.000 -6.354) 8.111 13.128 ( 2.662 -6.331 2.415) 7.280 13.467 ( -7.505 -13.433 0.958) 15.417 13.607 ( 1.194 4.423 -4.343) 6.313 13.690 ( -0.971 1.685 2.731) 3.352 14.098 ( -0.773 -5.053 -5.793) 7.726 14.143 ( -2.152 -4.524 2.000) 5.394 14.158 ( 3.742 -3.992 -0.117) 5.473 15.343 ( -4.263 -12.311 -0.656) 13.045 15.645 ( -2.768 -5.284 2.294) 6.391 15.873 ( -13.531 10.654 6.407) 18.375 16.214 ( 16.028 -8.254 9.128) 20.208 16.850 ( -7.947 8.435 -0.987) 11.631 17.099 ( 11.830 -1.351 2.804) 12.233 17.897 ( 11.520 1.104 -0.758) 11.597 18.102 ( -6.294 20.213 -6.260) 22.077 18.202 ( 5.540 21.494 4.422) 22.632 18.874 ( 4.673 10.603 -9.458) 14.957 19.090 ( 0.994 22.782 -1.018) 22.826 20.021 ( 10.012 -9.917 24.266) 28.061 20.641 ( -9.231 -6.577 1.164) 11.394 20.951 ( 4.708 -9.429 5.632) 11.949 21.104 ( -4.112 -8.680 -5.358) 10.998 21.374 ( -6.107 -1.639 -3.402) 7.180 22.353 ( -6.441 -19.118 -6.495) 21.194 ======================= Grid point 22 (17/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 6.476 7.802 1.050) 10.194 2.191 ( 5.258 20.327 -1.293) 21.036 2.356 ( 0.610 2.426 -6.969) 7.405 2.616 ( -5.382 3.822 7.593) 10.061 2.722 ( 3.860 0.496 -0.952) 4.006 2.874 ( -2.723 -4.428 1.136) 5.321 3.034 ( 10.050 -3.788 0.434) 10.749 3.144 ( 0.775 0.345 -2.368) 2.515 3.289 ( 4.093 9.101 0.418) 9.988 3.405 ( -0.413 16.941 6.982) 18.328 3.542 ( -4.030 -0.371 3.881) 5.607 3.807 ( 3.336 1.831 3.593) 5.234 3.846 ( -2.322 -1.210 6.322) 6.843 3.972 ( 3.633 -7.439 1.873) 8.488 4.095 ( -0.709 -12.041 -4.831) 12.994 4.311 ( -2.774 1.815 -12.761) 13.185 4.373 ( 2.276 -0.298 8.743) 9.039 4.738 ( -0.055 -2.707 3.891) 4.740 5.017 ( -4.442 2.268 -6.069) 7.855 5.100 ( 3.117 2.029 -9.637) 10.330 5.209 ( 4.432 0.614 -10.128) 11.073 5.474 ( -6.255 -1.498 2.224) 6.805 5.629 ( -5.186 -1.591 -2.760) 6.086 5.813 ( 3.651 -1.680 5.325) 6.671 5.997 ( 3.016 -2.908 -0.100) 4.191 6.227 ( -2.331 4.404 6.866) 8.484 6.399 ( -0.199 -0.701 -1.020) 1.254 7.545 ( 2.370 15.934 -3.826) 16.557 7.652 ( 0.357 -5.176 2.666) 5.833 7.735 ( 0.146 2.445 2.884) 3.784 8.001 ( -4.665 -2.985 -2.149) 5.941 8.183 ( 1.560 3.851 4.297) 5.977 8.313 ( -3.746 0.316 -4.551) 5.903 8.450 ( 5.782 -2.291 1.940) 6.514 8.717 ( 1.250 -10.773 -2.498) 11.129 8.805 ( -9.518 -5.462 -4.079) 11.708 9.067 ( 4.612 -4.659 -5.060) 8.281 9.351 ( -1.149 1.781 10.929) 11.133 9.546 ( 0.511 -5.705 -3.099) 6.512 10.009 ( -2.936 1.989 2.624) 4.411 10.142 ( -6.101 -6.070 -8.047) 11.783 10.453 ( 10.898 1.438 -2.516) 11.277 10.515 ( -11.139 1.423 3.136) 11.659 10.761 ( 1.414 -3.080 7.259) 8.011 11.116 ( -4.566 11.678 -8.482) 15.138 11.302 ( 4.970 0.208 -2.670) 5.646 11.562 ( 0.950 6.572 5.792) 8.811 11.622 ( 3.948 -6.051 0.776) 7.267 11.809 ( 1.908 -7.410 -2.156) 7.950 12.264 ( 1.051 5.524 5.161) 7.632 12.935 ( 0.041 2.591 -6.824) 7.300 13.155 ( -10.963 -10.022 0.185) 14.854 13.199 ( 7.039 -1.039 2.213) 7.452 13.500 ( -8.397 -6.222 -2.283) 10.698 13.663 ( -2.046 -4.773 0.506) 5.217 14.070 ( -2.590 -1.503 0.821) 3.105 14.139 ( 9.200 -2.954 -3.499) 10.276 14.237 ( 3.064 5.700 -1.574) 6.660 15.105 ( -6.800 -12.712 1.690) 14.515 15.637 ( 0.736 2.054 5.276) 5.709 15.727 ( -17.255 9.193 12.902) 23.424 16.285 ( 6.546 -10.085 -14.660) 18.959 17.005 ( 5.727 14.831 3.160) 16.209 17.250 ( 6.013 -4.632 10.603) 13.039 17.982 ( -9.409 11.239 -1.598) 14.744 18.205 ( 14.213 3.687 -8.226) 16.831 18.656 ( 12.009 20.688 6.520) 24.794 18.895 ( 1.008 -0.930 -6.387) 6.533 19.423 ( 7.976 19.020 -1.833) 20.706 20.166 ( 4.844 -3.345 16.587) 17.601 20.393 ( -11.109 -6.602 -0.286) 12.926 20.748 ( -11.937 -8.837 2.682) 15.093 21.152 ( 12.918 -5.325 -1.313) 14.034 21.198 ( -9.494 -2.299 -3.846) 10.498 22.005 ( -9.055 -16.368 -6.256) 19.724 ======================= Grid point 23 (18/125) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 4.462 -0.183 -0.546) 4.499 2.307 ( -5.462 2.611 2.938) 6.729 2.374 ( 0.279 7.947 -2.139) 8.234 2.639 ( -1.743 8.658 6.074) 10.719 2.746 ( -4.406 -6.633 -1.924) 8.192 2.907 ( 8.845 1.493 -7.933) 11.975 3.104 ( -0.353 0.694 2.300) 2.428 3.209 ( 6.412 2.419 1.704) 7.061 3.385 ( -1.516 -0.510 1.716) 2.346 3.470 ( 0.235 3.651 -2.156) 4.247 3.531 ( -1.366 7.760 2.564) 8.286 3.772 ( -8.237 0.083 7.225) 10.957 3.824 ( 2.157 -6.731 1.321) 7.190 3.922 ( 2.066 -9.500 -4.116) 10.557 4.086 ( 2.622 -1.501 -7.303) 7.903 4.271 ( 3.237 0.868 0.002) 3.352 4.576 ( 9.612 9.301 11.077) 17.366 4.696 ( -2.848 -7.409 3.266) 8.583 4.839 ( -13.090 -0.309 -5.049) 14.033 5.091 ( 2.398 -3.812 -8.213) 9.367 5.299 ( 6.100 1.666 -9.340) 11.279 5.392 ( -5.093 10.250 5.271) 12.601 5.556 ( -1.022 -2.753 -1.770) 3.429 5.834 ( 1.571 -5.968 1.901) 6.457 6.077 ( 6.130 -0.256 2.042) 6.467 6.247 ( -3.535 5.637 3.450) 7.494 6.351 ( -3.070 -1.930 -1.937) 4.111 7.540 ( -7.808 7.749 -0.443) 11.010 7.725 ( 3.131 0.883 -0.579) 3.305 7.851 ( 1.635 4.297 1.619) 4.875 7.973 ( 8.599 -2.318 3.109) 9.433 8.180 ( -1.006 -0.852 -4.093) 4.300 8.245 ( -8.407 1.802 4.047) 9.503 8.528 ( -2.857 -12.627 0.493) 12.956 8.569 ( 8.840 -6.050 -4.622) 11.667 8.631 ( 0.640 -1.463 -1.082) 1.929 9.137 ( 3.643 -1.753 -3.443) 5.310 9.423 ( 1.761 -2.959 7.926) 8.641 9.537 ( 2.785 6.400 1.028) 7.055 9.873 ( -11.652 -6.913 -10.012) 16.846 9.983 ( -0.078 -1.476 1.562) 2.150 10.437 ( -6.426 8.332 5.168) 11.723 10.603 ( 7.194 0.132 -8.872) 11.423 10.775 ( -2.558 -1.064 11.779) 12.101 11.122 ( -2.555 9.929 -7.907) 12.947 11.343 ( 0.460 0.422 3.925) 3.975 11.640 ( 6.899 -6.737 -1.537) 9.764 11.720 ( 2.565 6.646 1.237) 7.230 11.798 ( 3.964 -4.643 -1.857) 6.381 12.257 ( -3.896 -5.611 1.665) 7.030 12.850 ( -9.130 10.441 0.555) 13.880 13.104 ( 9.979 -3.466 -4.629) 11.533 13.260 ( -6.929 -9.426 -0.593) 11.714 13.333 ( 8.190 -1.526 0.801) 8.369 13.562 ( -3.179 -5.023 1.398) 6.107 14.036 ( -2.174 2.007 0.216) 2.967 14.198 ( 1.295 0.643 -8.450) 8.573 14.338 ( 1.868 3.678 1.278) 4.319 14.914 ( -0.394 -15.133 6.168) 16.347 15.572 ( -9.691 4.486 2.057) 10.875 15.763 ( -1.792 11.388 17.970) 21.350 16.213 ( 3.465 -7.172 -17.337) 19.079 17.101 ( -5.052 7.318 -13.033) 15.778 17.430 ( 9.008 -1.024 23.481) 25.170 17.874 ( -13.926 11.703 -5.094) 18.890 18.482 ( 17.711 -3.387 -4.307) 18.540 18.790 ( 1.796 -9.995 -3.578) 10.767 19.085 ( 2.441 20.068 3.709) 20.553 19.619 ( 1.536 0.815 0.875) 1.947 20.159 ( -10.283 -0.783 -0.737) 10.339 20.275 ( 3.792 2.621 3.903) 6.040 20.549 ( -3.215 -3.131 7.018) 8.330 20.969 ( -12.284 1.206 -6.709) 14.048 21.357 ( 15.151 -6.306 0.695) 16.426 21.706 ( -5.169 -10.437 -3.412) 12.136 ======================= Grid point 24 (19/125) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 2.182 -0.265 -2.584) 3.392 2.222 ( -14.045 4.275 17.012) 22.471 2.405 ( 1.322 -2.919 -3.497) 4.744 2.547 ( -7.938 -3.524 -0.052) 8.685 2.780 ( 4.090 5.144 2.228) 6.939 2.896 ( -0.450 -5.383 -6.622) 8.546 3.070 ( -5.839 3.853 -2.152) 7.319 3.278 ( 2.212 1.041 -3.509) 4.276 3.389 ( -2.174 -1.843 0.370) 2.874 3.526 ( -6.342 0.544 -1.528) 6.546 3.631 ( 5.980 7.091 7.637) 12.015 3.671 ( 0.617 1.421 0.565) 1.650 3.827 ( 2.812 -3.894 0.892) 4.885 3.845 ( -0.854 -5.092 -8.336) 9.805 4.092 ( 3.745 5.684 -9.867) 11.987 4.312 ( -14.206 -3.466 2.239) 14.793 4.467 ( 4.095 -3.101 3.955) 6.483 4.653 ( -4.390 -4.243 -0.007) 6.105 4.945 ( 11.070 5.832 11.026) 16.678 5.068 ( 1.010 -2.524 -0.566) 2.777 5.363 ( 0.974 3.105 -3.090) 4.487 5.495 ( 0.506 -0.903 9.441) 9.498 5.515 ( 2.854 6.908 -9.439) 12.040 5.794 ( 2.384 -6.404 -5.720) 8.911 6.125 ( -4.617 -0.932 6.349) 7.905 6.253 ( -2.623 -0.824 -5.147) 5.836 6.288 ( 1.538 4.046 1.506) 4.583 7.514 ( -5.140 9.324 1.185) 10.713 7.728 ( -2.069 -1.451 0.330) 2.549 7.858 ( -0.798 -5.857 0.755) 5.959 7.984 ( -4.994 -4.178 3.638) 7.459 8.182 ( 1.149 -0.929 -3.398) 3.706 8.324 ( 13.552 3.636 0.703) 14.049 8.354 ( -2.520 1.664 -1.067) 3.203 8.669 ( 2.116 3.670 -2.029) 4.697 8.754 ( 14.781 -6.979 -4.681) 17.003 9.071 ( -0.430 -8.033 0.971) 8.103 9.485 ( -2.106 1.356 5.739) 6.261 9.539 ( -8.952 1.030 -9.211) 12.886 9.723 ( 6.886 2.352 4.550) 8.582 10.032 ( 4.296 -0.242 2.711) 5.085 10.429 ( -3.597 0.844 3.811) 5.308 10.635 ( -2.546 3.718 -0.731) 4.565 10.744 ( 0.016 -2.807 -2.717) 3.907 11.191 ( 2.467 7.420 -2.296) 8.149 11.370 ( 0.055 -1.051 6.970) 7.049 11.608 ( -7.123 -6.300 -4.710) 10.612 11.714 ( -2.222 1.795 0.250) 2.868 11.833 ( 4.496 0.398 -7.992) 9.179 12.182 ( 0.629 -3.459 3.023) 4.636 12.926 ( 0.719 15.446 1.131) 15.504 13.090 ( 2.652 -12.220 2.719) 12.797 13.226 ( 1.012 1.400 -4.936) 5.229 13.446 ( 9.245 -2.993 -3.382) 10.289 13.549 ( 7.116 -2.355 1.271) 7.603 14.012 ( -3.460 0.478 2.321) 4.194 14.179 ( -3.652 8.074 -5.614) 10.490 14.356 ( -2.396 1.521 -0.122) 2.841 14.841 ( 6.695 -16.908 10.359) 20.928 15.482 ( -3.517 -1.406 -0.221) 3.794 15.921 ( -0.470 6.572 9.230) 11.340 16.144 ( -1.939 5.439 -6.384) 8.608 16.996 ( -3.438 -0.036 -11.515) 12.017 17.579 ( -2.187 -0.886 -0.959) 2.547 17.736 ( -10.658 8.651 13.343) 19.143 18.611 ( 0.760 -8.254 -4.577) 9.468 18.723 ( 3.770 -4.225 -2.877) 6.351 19.123 ( -12.419 6.169 1.773) 13.980 19.589 ( -0.698 -6.948 2.824) 7.532 19.964 ( -12.810 2.893 -1.394) 13.206 20.434 ( 6.371 3.308 5.454) 9.016 20.589 ( 3.726 0.775 -4.517) 5.906 20.826 ( -1.837 6.499 1.386) 6.894 21.405 ( 1.836 -8.964 -3.540) 9.811 21.761 ( 16.032 -0.336 1.642) 16.120 ======================= Grid point 25 (20/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -14.422 -4.056 -3.626) 15.414 2.011 ( -22.374 7.574 14.526) 27.730 2.365 ( 6.015 -6.445 3.028) 9.321 2.498 ( -2.352 3.097 -2.524) 4.636 2.796 ( -0.790 -4.695 -2.410) 5.336 2.852 ( 1.166 -0.232 -2.084) 2.399 3.038 ( -4.332 1.726 1.177) 4.810 3.262 ( -0.265 1.720 -6.592) 6.818 3.284 ( -11.825 0.835 0.898) 11.889 3.381 ( -12.595 -2.771 -0.643) 12.912 3.529 ( -3.114 -1.177 -6.018) 6.877 3.712 ( -6.022 2.287 2.959) 7.089 3.807 ( 4.247 -1.751 -1.726) 4.908 4.006 ( 12.010 6.788 -4.615) 14.547 4.121 ( -0.820 -1.802 10.594) 10.777 4.249 ( 8.295 7.420 -6.429) 12.852 4.497 ( -3.992 -8.044 -2.080) 9.218 4.626 ( 5.224 1.080 5.406) 7.595 5.020 ( -2.016 -2.730 3.559) 4.918 5.178 ( 3.293 -1.796 8.628) 9.408 5.317 ( -0.989 1.864 -4.342) 4.827 5.615 ( 9.352 0.069 4.740) 10.485 5.627 ( 3.653 4.727 -3.063) 6.713 5.746 ( 2.511 -3.708 -12.488) 13.267 5.990 ( -9.750 -3.279 9.373) 13.917 6.179 ( -3.990 2.404 -7.987) 9.246 6.377 ( 3.192 1.000 2.462) 4.153 7.521 ( -9.011 7.465 4.590) 12.570 7.647 ( -3.280 -7.280 -2.183) 8.278 7.704 ( -1.444 -0.469 0.304) 1.549 8.034 ( 6.829 -2.182 -0.406) 7.181 8.123 ( -0.153 -2.160 -1.851) 2.849 8.381 ( -2.416 7.040 3.449) 8.203 8.539 ( 4.844 -7.724 -10.311) 13.764 8.755 ( 5.211 10.110 0.850) 11.406 8.866 ( 7.445 -2.273 -1.260) 7.886 9.139 ( 13.003 -3.099 -1.338) 13.434 9.278 ( -7.297 0.530 -3.846) 8.265 9.627 ( 5.022 2.477 2.543) 6.150 9.861 ( 1.551 0.797 6.586) 6.813 10.086 ( -1.581 0.661 6.976) 7.183 10.390 ( 5.435 -8.940 3.364) 10.990 10.603 ( -5.074 5.498 -4.301) 8.629 10.729 ( 4.590 -3.993 -5.185) 7.993 11.259 ( -5.800 -8.667 -3.886) 11.129 11.314 ( 1.591 5.219 3.968) 6.747 11.528 ( 0.996 6.480 4.762) 8.104 11.620 ( -7.695 0.837 -8.132) 11.227 11.915 ( 4.826 2.311 -7.572) 9.272 12.140 ( -4.691 -1.422 5.523) 7.385 13.096 ( 9.309 -10.874 0.826) 14.338 13.108 ( -3.132 2.193 2.466) 4.550 13.190 ( 3.766 10.731 -5.975) 12.847 13.593 ( 8.599 -1.602 -3.237) 9.326 13.691 ( 9.185 0.655 -3.163) 9.737 13.967 ( -0.295 -2.270 3.609) 4.274 14.139 ( -8.843 3.568 6.147) 11.346 14.375 ( 1.443 10.068 -9.607) 13.990 14.910 ( 14.302 -15.262 15.811) 26.219 15.394 ( -0.325 -9.655 -0.886) 9.701 15.872 ( -1.292 -4.957 -11.219) 12.334 16.269 ( -6.295 22.636 15.336) 28.058 16.908 ( 0.202 -4.603 -9.878) 10.900 17.392 ( -10.278 2.574 -10.401) 14.847 17.742 ( -7.121 0.430 20.133) 21.359 18.374 ( -12.088 -12.120 -4.160) 17.616 18.646 ( -14.083 8.179 -6.299) 17.462 19.047 ( 3.376 -0.805 -2.634) 4.356 19.406 ( -16.472 -3.006 3.134) 17.035 19.771 ( -13.495 2.536 7.686) 15.736 20.506 ( 6.251 -4.883 -3.654) 8.734 20.708 ( 10.077 0.797 -1.522) 10.223 21.033 ( 8.055 10.895 6.856) 15.185 21.355 ( 3.308 -6.103 -5.092) 8.609 22.092 ( 20.309 -0.337 0.477) 20.317 ======================= Grid point 26 (21/125) ======================= q-point: (-0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -24.804 -4.577 2.103) 25.310 1.752 ( -25.912 13.971 4.353) 29.759 2.297 ( -19.429 2.146 -0.877) 19.567 2.531 ( 7.752 1.431 3.436) 8.599 2.738 ( -3.818 -1.742 -1.638) 4.506 2.845 ( 1.479 -2.344 -6.437) 7.009 2.935 ( -2.620 -3.778 5.723) 7.341 3.052 ( -10.602 3.462 -6.430) 12.874 3.139 ( -7.965 0.508 5.908) 9.929 3.339 ( 1.195 6.203 -3.917) 7.433 3.549 ( 0.888 -0.800 -0.072) 1.197 3.615 ( -1.177 -1.088 0.173) 1.612 3.945 ( 9.099 1.523 0.102) 9.226 4.154 ( 2.801 -0.133 7.259) 7.781 4.214 ( -0.052 3.221 -0.584) 3.274 4.313 ( -1.514 -7.103 2.111) 7.563 4.480 ( 10.359 5.887 -8.323) 14.534 4.666 ( -1.270 -3.666 0.222) 3.887 4.944 ( -6.493 -0.963 5.895) 8.822 5.169 ( 3.413 -1.526 -8.368) 9.165 5.405 ( 2.734 1.620 10.318) 10.796 5.658 ( 2.969 -6.786 -6.182) 9.648 5.672 ( 1.320 0.371 -17.686) 17.739 5.833 ( 6.724 2.027 9.460) 11.782 5.883 ( -3.574 1.423 9.400) 10.157 6.086 ( -5.022 0.195 -5.377) 7.361 6.423 ( 0.751 0.022 0.918) 1.186 7.333 ( -12.084 -0.032 -2.175) 12.278 7.608 ( 0.402 -0.600 2.182) 2.298 7.773 ( 3.130 7.372 2.307) 8.334 8.020 ( 1.062 -11.120 -5.770) 12.573 8.189 ( 6.326 0.606 0.373) 6.366 8.354 ( -6.210 0.811 4.179) 7.529 8.510 ( 4.720 -0.002 -5.622) 7.340 8.844 ( -5.550 -1.947 -2.401) 6.353 8.955 ( 2.835 13.653 -1.450) 14.019 9.323 ( 11.421 -4.559 -0.098) 12.298 9.380 ( 13.600 4.679 -4.849) 15.178 9.656 ( -3.597 -9.467 3.900) 10.852 9.836 ( -0.909 3.760 -3.117) 4.968 10.094 ( -2.128 -2.727 11.914) 12.406 10.487 ( 9.635 -7.369 1.063) 12.176 10.595 ( 6.805 1.334 -4.890) 8.485 10.778 ( 3.851 -0.340 1.648) 4.202 11.085 ( -1.260 -4.949 -4.971) 7.127 11.369 ( -4.003 -1.104 1.782) 4.518 11.461 ( -4.253 3.055 -9.030) 10.438 11.690 ( 3.672 7.927 9.516) 12.918 11.908 ( -5.549 1.388 -1.357) 5.879 12.090 ( -1.504 1.465 -2.896) 3.577 12.986 ( -6.852 0.282 -3.266) 7.595 13.158 ( 5.781 -3.941 0.265) 7.002 13.387 ( 7.397 -0.950 0.310) 7.464 13.626 ( -1.311 -0.721 -0.712) 1.657 13.840 ( 5.072 6.372 -7.170) 10.851 13.976 ( 3.498 -5.752 5.429) 8.649 14.117 ( 5.326 -1.626 3.515) 6.586 14.457 ( -0.576 9.925 -8.224) 12.902 15.123 ( 13.288 -13.580 16.453) 25.133 15.329 ( 7.849 -4.195 -1.313) 8.996 15.789 ( 2.948 -4.526 -9.343) 10.792 16.374 ( -15.121 14.893 16.856) 27.103 16.793 ( -0.482 -4.527 -11.031) 11.933 17.327 ( 1.496 5.526 -2.825) 6.384 17.632 ( -12.932 0.784 14.999) 19.819 17.977 ( -15.721 -11.471 -7.606) 20.895 18.434 ( -16.994 10.810 -6.841) 21.271 19.033 ( -26.508 5.666 1.230) 27.134 19.102 ( 1.159 5.279 -12.238) 13.379 19.655 ( -6.623 -3.024 25.161) 26.193 20.594 ( 10.892 -4.492 -5.737) 13.104 20.872 ( 8.994 -3.379 4.292) 10.523 21.285 ( 7.490 3.176 4.624) 9.358 21.338 ( 3.179 -1.201 -7.636) 8.358 22.428 ( 19.854 -3.585 -1.333) 20.219 ======================= Grid point 28 (22/125) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -15.104 17.719 -8.398) 24.751 1.707 ( -15.136 15.707 9.271) 23.702 2.449 ( 2.773 2.040 -3.768) 5.104 2.508 ( -3.364 -4.383 -0.028) 5.525 2.721 ( -10.183 11.966 9.858) 18.549 2.892 ( -3.435 3.159 -4.206) 6.282 2.932 ( 7.311 4.281 1.571) 8.617 3.084 ( -2.014 6.381 2.132) 7.023 3.236 ( -13.164 6.940 5.285) 15.792 3.320 ( -1.363 1.994 4.303) 4.935 3.600 ( 0.724 0.616 0.606) 1.127 3.671 ( 5.346 -1.150 0.735) 5.517 3.889 ( -9.625 -2.611 -1.925) 10.157 4.024 ( 3.201 -5.622 -0.115) 6.470 4.242 ( 5.661 -3.573 2.779) 7.248 4.368 ( -0.543 -4.892 -4.591) 6.731 4.521 ( 3.948 3.254 4.677) 6.932 4.617 ( 5.102 -3.086 -5.244) 7.940 4.861 ( -4.578 0.631 0.228) 4.626 5.102 ( 3.600 -2.118 -8.589) 9.550 5.443 ( -3.371 0.184 -9.136) 9.739 5.528 ( -3.053 2.754 -3.119) 5.161 5.579 ( 9.782 -3.796 -6.384) 12.282 5.895 ( -4.135 -3.708 1.236) 5.690 6.039 ( 2.831 -2.036 11.801) 12.305 6.160 ( 1.637 7.892 7.106) 10.745 6.392 ( -0.195 -2.151 -1.695) 2.745 7.227 ( -3.860 8.661 -5.463) 10.944 7.673 ( -1.813 -1.622 -1.773) 3.010 7.720 ( -0.661 -0.141 5.641) 5.682 8.137 ( 8.725 3.420 -1.870) 9.557 8.225 ( -7.293 -2.839 5.049) 9.313 8.310 ( 3.124 -5.279 -2.164) 6.505 8.616 ( 1.513 -2.890 -4.376) 5.458 8.749 ( 1.805 12.006 7.340) 14.188 9.103 ( -5.922 -10.912 4.565) 13.228 9.271 ( 6.880 -4.097 2.359) 8.348 9.374 ( 2.067 1.729 -21.453) 21.622 9.509 ( 3.259 -10.118 2.385) 10.894 9.873 ( -2.684 -0.264 2.137) 3.441 9.983 ( 2.811 0.180 2.595) 3.830 10.461 ( 5.463 1.573 -4.282) 7.117 10.579 ( 3.757 -11.241 -2.500) 12.113 10.909 ( 3.880 1.390 2.906) 5.043 11.155 ( -4.652 0.695 -5.845) 7.502 11.311 ( -2.473 2.944 -6.857) 7.862 11.387 ( 6.777 4.484 7.436) 11.015 11.752 ( -7.965 -4.354 6.941) 11.427 11.968 ( -6.064 5.718 -1.217) 8.423 12.127 ( 3.831 -2.466 5.357) 7.032 12.931 ( -1.411 4.176 -4.940) 6.620 13.238 ( 6.217 0.484 4.295) 7.572 13.376 ( 5.636 -6.864 -2.581) 9.249 13.565 ( -6.046 5.662 0.497) 8.298 13.847 ( -1.783 2.764 -4.626) 5.676 13.963 ( 8.316 -9.535 1.313) 12.720 14.087 ( 5.463 -9.647 0.332) 11.091 14.480 ( -1.705 0.348 1.021) 2.018 15.126 ( 2.989 -22.779 -4.537) 23.418 15.489 ( 8.847 4.620 2.022) 10.183 15.766 ( 7.724 6.344 1.608) 10.124 16.166 ( -9.352 -2.347 13.640) 16.703 17.055 ( 4.322 11.437 -2.631) 12.506 17.214 ( -13.532 -4.849 -0.693) 14.391 17.429 ( -1.971 4.399 -1.935) 5.195 18.168 ( -6.117 20.840 2.056) 21.816 18.427 ( -9.986 12.949 -0.720) 16.368 19.044 ( -18.430 18.270 -2.681) 26.089 19.172 ( -4.109 -0.828 -11.586) 12.320 19.624 ( -5.472 -2.196 25.730) 26.397 20.600 ( 11.119 -5.039 -4.787) 13.112 20.898 ( 2.869 -5.133 6.682) 8.901 21.075 ( 8.801 -8.773 -5.387) 13.544 21.514 ( 0.062 -2.619 1.837) 3.200 22.382 ( 12.784 -15.649 -5.642) 20.979 ======================= Grid point 29 (23/125) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -4.470 20.779 -3.607) 21.558 1.818 ( -2.793 25.063 10.505) 27.319 2.401 ( -3.813 -0.866 -5.605) 6.835 2.517 ( 5.648 0.155 -8.309) 10.048 2.702 ( -4.162 2.318 10.342) 11.387 2.916 ( -2.111 9.488 2.748) 10.101 3.030 ( -2.761 0.742 6.603) 7.195 3.096 ( -5.371 7.978 5.744) 11.202 3.187 ( -3.098 8.955 5.412) 10.913 3.391 ( 4.441 2.907 0.469) 5.328 3.553 ( -10.395 0.947 -1.124) 10.498 3.657 ( 0.716 -0.083 5.585) 5.631 3.846 ( 5.294 -0.225 -10.459) 11.724 3.981 ( 1.147 -8.920 0.223) 8.996 4.225 ( -5.892 5.169 -0.981) 7.899 4.326 ( 3.185 -6.592 -2.356) 7.691 4.600 ( -0.462 -4.668 -2.998) 5.567 4.723 ( 11.313 -6.267 8.568) 15.514 4.804 ( -1.090 5.091 -3.732) 6.406 5.074 ( 1.035 -5.754 -5.807) 8.240 5.332 ( -5.278 2.959 -20.049) 20.942 5.505 ( -1.256 0.410 5.204) 5.369 5.611 ( 2.011 -2.234 -7.028) 7.643 5.844 ( 1.263 -4.538 4.268) 6.356 6.088 ( -0.293 -0.523 7.271) 7.295 6.272 ( -0.826 4.390 9.246) 10.269 6.351 ( -0.189 -1.586 -3.695) 4.025 7.275 ( -1.665 13.908 -4.507) 14.715 7.689 ( 0.650 -3.622 4.374) 5.716 7.726 ( 4.341 2.617 -0.518) 5.095 8.112 ( -5.611 -2.297 3.686) 7.096 8.216 ( 2.030 -6.491 -1.541) 6.973 8.255 ( -2.175 0.940 -2.139) 3.193 8.602 ( -0.092 -1.574 1.193) 1.977 8.888 ( -3.408 -0.797 4.679) 5.843 9.043 ( 4.302 4.650 -2.267) 6.728 9.222 ( -1.418 -1.390 -8.522) 8.751 9.346 ( 0.056 -7.027 -9.241) 11.609 9.521 ( 11.668 -9.952 7.370) 17.015 9.836 ( -5.251 2.022 -0.561) 5.655 10.052 ( 4.630 -2.033 5.709) 7.626 10.382 ( 0.263 -11.950 -5.905) 13.331 10.673 ( 6.506 0.229 -3.629) 7.453 10.844 ( -7.310 -5.164 4.770) 10.142 11.120 ( -1.153 4.517 -2.321) 5.208 11.213 ( -2.043 1.468 -8.454) 8.821 11.553 ( 1.526 -1.490 1.197) 2.446 11.713 ( -1.509 7.210 6.206) 9.632 11.946 ( -1.944 6.219 -0.385) 6.527 12.168 ( 2.082 -3.596 5.507) 6.899 12.932 ( -1.315 5.182 -5.131) 7.410 13.196 ( -4.572 -12.639 1.761) 13.555 13.422 ( 4.261 -1.720 2.047) 5.030 13.613 ( 0.942 7.413 0.589) 7.496 13.806 ( -3.795 5.840 -6.334) 9.414 14.019 ( 7.612 -9.629 1.325) 12.346 14.048 ( 3.597 -12.704 1.258) 13.263 14.360 ( -10.124 -3.132 -10.611) 14.997 15.047 ( 14.611 -18.010 4.750) 23.673 15.583 ( 2.868 -3.912 15.580) 16.318 16.039 ( 7.567 4.085 -3.796) 9.399 16.066 ( -6.045 4.679 8.113) 11.146 16.950 ( -10.225 1.215 -3.287) 10.809 17.231 ( 2.474 8.377 -10.191) 13.422 17.478 ( -0.787 8.229 8.199) 11.643 18.159 ( -7.536 11.526 5.716) 14.910 18.542 ( -4.908 20.169 -1.591) 20.819 18.899 ( -13.795 16.053 -7.915) 22.597 19.137 ( 6.109 5.162 -7.428) 10.915 19.672 ( -1.710 1.275 24.113) 24.207 20.681 ( 7.442 -7.596 -1.122) 10.693 20.867 ( -3.225 -5.098 6.101) 8.580 21.132 ( 8.225 -8.298 -6.572) 13.405 21.469 ( -0.827 -5.347 1.914) 5.740 22.348 ( 6.726 -19.693 -6.578) 21.825 ======================= Grid point 30 (24/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 6.551 17.565 3.232) 19.023 2.099 ( 0.152 24.980 4.346) 25.356 2.323 ( -1.189 0.984 -8.937) 9.069 2.547 ( 3.581 -0.983 -11.685) 12.261 2.752 ( 5.455 -3.196 10.217) 12.015 2.927 ( -6.699 2.403 7.356) 10.235 3.001 ( -3.453 -0.662 8.007) 8.745 3.113 ( -2.952 3.757 2.071) 5.207 3.252 ( -2.114 5.828 -0.571) 6.226 3.456 ( -2.889 16.490 7.244) 18.242 3.537 ( 2.380 6.699 1.841) 7.344 3.733 ( 1.379 3.806 6.250) 7.447 3.854 ( 2.336 -2.636 -8.072) 8.807 3.906 ( 1.222 -10.119 0.914) 10.234 4.195 ( -4.332 2.321 3.921) 6.287 4.287 ( 2.575 -4.906 -10.732) 12.077 4.479 ( -5.653 -4.866 0.249) 7.463 4.731 ( 1.047 -3.757 0.082) 3.901 4.970 ( 9.136 -0.697 -5.848) 10.870 4.995 ( 0.414 -6.671 -2.786) 7.242 5.192 ( -4.161 3.714 -12.239) 13.450 5.488 ( -0.147 -3.650 -0.610) 3.703 5.638 ( 2.777 3.536 -1.645) 4.788 5.841 ( 0.866 -4.817 5.954) 7.707 6.056 ( -5.123 -0.032 -0.617) 5.160 6.278 ( -0.668 -2.806 6.711) 7.305 6.372 ( 0.391 4.251 0.539) 4.302 7.383 ( 0.933 9.518 -2.119) 9.796 7.685 ( 1.741 1.413 2.754) 3.551 7.842 ( 0.310 2.553 -5.010) 5.631 8.054 ( -1.670 0.194 6.441) 6.656 8.136 ( -0.486 -1.306 5.574) 5.746 8.285 ( 2.005 3.799 -1.714) 4.625 8.557 ( -2.525 -4.562 2.225) 5.669 8.783 ( -7.974 -3.299 -10.577) 13.651 8.957 ( -0.733 -6.830 0.241) 6.874 9.194 ( -5.902 -1.711 -9.058) 10.945 9.366 ( 7.579 1.834 -0.431) 7.809 9.559 ( -7.502 -5.486 8.749) 12.764 9.847 ( 13.357 -2.940 -3.036) 14.010 10.127 ( 3.871 -1.322 3.359) 5.293 10.236 ( -0.573 -12.837 -5.086) 13.820 10.635 ( -0.989 -2.347 -3.442) 4.282 10.828 ( -0.572 -1.281 10.171) 10.267 11.077 ( 0.293 0.464 -10.825) 10.839 11.249 ( -0.252 9.992 -2.854) 10.394 11.575 ( 1.574 -0.443 5.455) 5.695 11.723 ( -7.549 6.219 5.744) 11.342 11.948 ( -4.479 0.985 -7.001) 8.369 12.205 ( 1.983 2.129 5.593) 6.305 12.897 ( -0.904 -9.915 -5.038) 11.158 13.039 ( 0.410 -2.207 1.766) 2.856 13.447 ( -0.469 -0.281 -0.316) 0.631 13.666 ( -1.831 3.352 3.292) 5.042 13.767 ( -5.624 -1.456 -1.859) 6.100 14.005 ( 3.039 -6.776 -2.835) 7.949 14.038 ( 4.389 -5.393 -2.968) 7.560 14.136 ( -3.302 -3.520 -1.659) 5.103 15.168 ( 10.311 -10.283 2.924) 14.853 15.657 ( -1.676 -2.143 0.869) 2.856 15.949 ( 4.258 -8.212 15.480) 18.033 16.196 ( -4.612 10.102 -3.587) 11.670 16.940 ( 6.619 3.958 -0.692) 7.743 17.105 ( -13.626 2.379 -1.178) 13.882 17.677 ( 10.204 5.586 -1.735) 11.762 18.320 ( 4.795 17.161 10.320) 20.591 18.510 ( -14.915 15.670 -3.479) 21.912 18.923 ( 0.203 12.832 -12.562) 17.959 19.325 ( 1.599 17.433 0.393) 17.511 19.790 ( 8.512 -5.358 17.296) 20.007 20.688 ( 0.162 -9.664 -1.163) 9.735 20.774 ( 0.335 -7.131 8.892) 11.403 21.087 ( -1.315 -7.723 -4.692) 9.132 21.410 ( -1.762 -2.707 -1.183) 3.440 22.178 ( 0.392 -19.826 -7.165) 21.085 ======================= Grid point 31 (25/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 4.125 7.501 2.458) 8.907 2.277 ( 3.743 5.413 -8.487) 10.740 2.367 ( -0.763 13.844 -0.935) 13.896 2.575 ( 5.941 1.625 -9.982) 11.729 2.819 ( -3.090 -1.057 1.450) 3.574 2.889 ( 3.413 -3.135 6.277) 7.803 2.939 ( -5.236 1.164 14.632) 15.584 3.117 ( -0.001 2.157 -2.076) 2.994 3.307 ( 2.426 7.834 -3.009) 8.736 3.608 ( -1.246 -1.188 6.635) 6.855 3.639 ( -1.632 11.272 3.495) 11.914 3.777 ( 0.190 -6.554 3.260) 7.323 3.872 ( 3.816 -0.292 -0.219) 3.834 3.887 ( 0.740 5.457 9.039) 10.585 4.079 ( -9.130 -2.786 3.186) 10.063 4.246 ( 3.021 -1.126 -16.088) 16.408 4.397 ( -1.001 0.358 4.154) 4.288 4.718 ( 0.821 -3.547 2.391) 4.356 4.945 ( 5.629 -7.769 -10.982) 14.582 4.974 ( 1.325 -2.424 -10.553) 10.909 5.217 ( 0.118 5.424 0.070) 5.425 5.455 ( 1.406 -3.174 -1.949) 3.981 5.698 ( -0.489 1.246 -2.163) 2.543 5.826 ( -0.885 -3.066 7.432) 8.088 5.950 ( -3.602 0.373 -1.715) 4.007 6.284 ( 1.142 -1.300 2.989) 3.454 6.414 ( -0.880 3.026 2.385) 3.952 7.467 ( 5.859 -1.856 0.513) 6.168 7.771 ( -5.965 3.640 -2.563) 7.443 7.821 ( 1.132 14.935 0.554) 14.988 7.998 ( -2.153 -2.737 0.329) 3.498 8.255 ( 0.227 5.180 8.286) 9.775 8.378 ( 2.458 1.878 1.677) 3.518 8.420 ( -7.614 -2.923 -3.154) 8.745 8.582 ( 0.331 -10.984 -0.582) 11.004 8.894 ( 1.385 -6.254 -1.710) 6.630 9.003 ( -12.627 2.635 -12.433) 17.916 9.420 ( 1.010 -0.778 5.308) 5.459 9.433 ( -0.548 -7.972 3.993) 8.933 10.046 ( 0.617 -5.104 -0.045) 5.141 10.102 ( 6.012 -0.589 -7.524) 9.649 10.196 ( 7.484 -5.188 -0.055) 9.106 10.640 ( 1.800 2.394 -4.669) 5.547 10.791 ( -4.488 -2.410 13.597) 14.520 11.092 ( 4.387 -0.098 -11.646) 12.445 11.360 ( 0.506 12.698 2.266) 12.909 11.610 ( -3.955 -0.865 6.529) 7.682 11.681 ( -1.550 5.786 3.466) 6.920 11.771 ( -8.699 -2.419 -5.660) 10.656 12.303 ( 2.043 3.097 3.272) 4.947 12.777 ( 5.667 -14.013 -2.796) 15.372 13.115 ( 3.305 5.369 0.014) 6.305 13.350 ( -10.824 -0.573 0.033) 10.839 13.577 ( -8.068 -7.639 -2.341) 11.355 13.668 ( -1.884 -0.505 3.991) 4.442 13.940 ( 4.474 -5.400 -2.052) 7.306 14.086 ( 1.938 -2.524 -1.738) 3.626 14.185 ( 6.327 4.069 -0.280) 7.527 15.122 ( -6.206 -8.065 -2.862) 10.571 15.620 ( 3.272 0.515 4.934) 5.943 16.022 ( 3.491 -7.514 -3.930) 9.170 16.139 ( -9.801 6.769 4.140) 12.610 17.016 ( 3.427 4.096 4.710) 7.121 17.157 ( 8.279 1.904 7.667) 11.443 17.870 ( 11.407 0.942 -6.900) 13.364 18.386 ( -13.953 13.909 -6.266) 20.674 18.682 ( 9.422 15.698 9.218) 20.498 18.916 ( -3.742 3.722 -8.059) 9.634 19.548 ( 1.987 18.809 0.171) 18.915 19.982 ( 12.568 -6.062 8.644) 16.414 20.492 ( -7.855 -9.408 -0.265) 12.259 20.811 ( 4.462 -10.317 11.695) 16.221 20.941 ( -3.864 -2.747 -3.730) 6.032 21.323 ( -5.974 0.555 -4.411) 7.447 21.929 ( -4.254 -16.197 -6.431) 17.938 ======================= Grid point 32 (26/125) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 1.803 -2.055 0.712) 2.825 2.342 ( 2.935 2.079 -6.356) 7.303 2.398 ( -0.926 0.396 -3.437) 3.581 2.739 ( 1.929 -1.914 -3.323) 4.293 2.755 ( 2.727 8.166 -8.641) 12.198 2.888 ( -5.400 5.112 14.918) 16.668 3.064 ( 6.927 3.318 5.772) 9.608 3.145 ( 2.446 2.337 0.331) 3.399 3.405 ( 0.376 1.926 -0.500) 2.025 3.541 ( -3.982 -0.515 2.725) 4.852 3.646 ( -2.244 -1.649 2.125) 3.502 3.707 ( -0.979 -7.224 1.494) 7.442 3.838 ( -1.549 -7.359 -4.142) 8.586 3.970 ( -0.226 5.516 1.066) 5.623 4.004 ( -4.880 4.567 7.713) 10.206 4.242 ( 1.659 2.682 -8.868) 9.412 4.538 ( 8.564 7.304 10.027) 15.074 4.694 ( -0.826 -4.397 4.326) 6.223 4.881 ( 2.503 -6.131 -13.850) 15.352 5.002 ( 2.791 -1.739 -0.525) 3.330 5.196 ( -2.152 -1.007 -8.707) 9.025 5.461 ( 2.203 -1.620 0.415) 2.766 5.641 ( -4.331 4.361 -1.979) 6.457 5.797 ( -1.865 -4.079 5.315) 6.955 5.984 ( 3.987 2.015 2.688) 5.213 6.301 ( 1.270 -0.187 -3.355) 3.593 6.412 ( -3.621 1.542 4.013) 5.621 7.585 ( 8.832 -1.883 2.305) 9.320 7.709 ( -3.167 3.224 -2.263) 5.054 7.908 ( -1.952 0.971 -3.224) 3.892 7.995 ( -6.300 10.372 3.904) 12.748 8.177 ( -1.281 -2.180 -4.135) 4.847 8.380 ( 1.340 -5.421 3.539) 6.611 8.409 ( -1.317 6.055 5.104) 8.028 8.464 ( -4.897 -12.037 -0.092) 12.996 8.725 ( -9.360 4.833 -3.404) 11.071 9.008 ( 8.204 -0.301 -3.649) 8.984 9.349 ( 1.695 -7.607 -3.294) 8.461 9.520 ( 4.621 2.174 9.354) 10.657 9.924 ( -4.113 -4.439 0.607) 6.083 10.059 ( -7.532 -0.618 -5.601) 9.407 10.363 ( 13.915 -3.150 -7.787) 16.253 10.625 ( -5.711 2.956 2.078) 6.758 10.831 ( 1.945 1.489 10.520) 10.802 11.095 ( 3.014 -1.102 -9.933) 10.438 11.485 ( -2.635 -7.875 0.346) 8.311 11.533 ( -1.962 15.170 6.114) 16.473 11.641 ( 0.688 -4.947 -1.242) 5.147 11.819 ( 3.125 13.026 2.129) 13.563 12.285 ( -5.265 -6.469 1.704) 8.513 12.820 ( 12.523 -6.537 -3.988) 14.679 13.148 ( -11.737 7.679 1.018) 14.062 13.218 ( 2.115 -2.665 0.910) 3.523 13.358 ( -8.511 -0.697 -0.146) 8.540 13.587 ( -4.909 -5.501 2.620) 7.825 14.018 ( 5.585 -0.013 -1.621) 5.815 14.107 ( 3.964 -1.593 -0.115) 4.274 14.323 ( 5.432 2.698 -1.390) 6.223 14.872 ( -8.340 -8.970 -3.932) 12.864 15.737 ( -1.788 4.431 3.728) 6.061 15.888 ( -2.678 -7.083 -1.059) 7.646 16.117 ( -0.378 7.163 0.310) 7.179 17.204 ( -1.732 8.020 -10.167) 13.065 17.289 ( 11.962 -7.283 20.834) 25.103 18.095 ( 13.992 3.360 -2.467) 14.599 18.246 ( -10.240 7.479 -9.033) 15.569 18.709 ( -4.931 -6.082 -0.308) 7.836 19.142 ( 12.494 14.268 1.421) 19.018 19.657 ( -3.275 -0.951 0.194) 3.415 20.160 ( 7.930 3.587 -0.895) 8.749 20.302 ( -5.724 -3.200 1.967) 6.846 20.689 ( -9.566 -3.804 8.330) 13.243 21.020 ( 13.366 -5.793 1.844) 14.684 21.182 ( -9.898 4.011 -5.999) 12.250 21.683 ( -5.566 -9.740 -3.523) 11.758 ======================= Grid point 33 (27/125) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 4.994 -4.226 1.946) 6.825 2.328 ( -1.097 -1.386 -6.980) 7.200 2.433 ( 2.815 -0.011 2.917) 4.053 2.625 ( -3.561 -3.904 -0.540) 5.312 2.829 ( -1.000 -0.255 -6.238) 6.323 2.889 ( -7.556 4.419 15.065) 17.423 3.158 ( 1.525 3.186 -6.635) 7.516 3.256 ( -1.819 1.059 -0.720) 2.224 3.382 ( 1.479 -1.318 0.283) 2.001 3.538 ( 4.498 4.311 -0.535) 6.253 3.608 ( -1.017 -0.716 2.249) 2.570 3.685 ( 3.882 -2.306 0.787) 4.583 3.749 ( -0.593 -5.378 -4.123) 6.802 3.897 ( -9.023 2.603 7.797) 12.206 4.084 ( 2.711 9.590 -8.410) 13.040 4.329 ( 5.768 3.256 2.537) 7.093 4.539 ( -8.434 -8.040 1.581) 11.759 4.753 ( -9.283 -2.007 -5.481) 10.965 4.849 ( 8.649 3.599 7.008) 11.699 4.968 ( 4.112 -4.118 0.394) 5.833 5.206 ( 8.127 -3.181 -5.369) 10.247 5.490 ( 1.209 -2.118 5.301) 5.835 5.643 ( -0.178 3.831 -5.168) 6.436 5.728 ( -5.465 1.943 1.654) 6.031 6.095 ( 5.383 -0.762 3.765) 6.613 6.278 ( -1.481 -0.535 -6.637) 6.821 6.366 ( -4.392 1.714 3.637) 5.955 7.647 ( -1.944 0.831 -0.171) 2.121 7.745 ( 1.759 1.669 0.407) 2.459 7.867 ( -3.062 0.967 -0.779) 3.304 7.930 ( 1.921 -8.806 0.582) 9.031 8.214 ( -3.911 6.109 -0.492) 7.270 8.249 ( -1.247 -2.155 0.520) 2.543 8.408 ( 5.795 -3.637 -3.004) 7.472 8.449 ( -0.964 5.325 3.955) 6.703 8.743 ( 0.087 9.013 -3.706) 9.746 9.018 ( -0.582 -6.926 6.016) 9.192 9.392 ( 8.255 -0.174 -7.697) 11.288 9.625 ( 0.366 -4.503 5.149) 6.850 9.814 ( -7.578 8.137 0.108) 11.120 9.952 ( 1.764 -2.780 0.494) 3.330 10.464 ( 3.823 -4.355 -10.279) 11.800 10.564 ( -1.602 -3.739 8.374) 9.309 10.855 ( -5.419 2.679 2.019) 6.373 11.154 ( 5.189 3.219 -2.546) 6.616 11.385 ( 0.503 -4.072 1.236) 4.286 11.589 ( -1.312 -3.145 -0.898) 3.524 11.713 ( 3.792 8.188 1.464) 9.141 11.976 ( -10.506 8.590 -1.332) 13.636 12.088 ( 4.322 -5.870 0.532) 7.309 12.967 ( 1.511 -8.145 1.701) 8.456 13.060 ( 4.805 0.039 -5.514) 7.314 13.175 ( -3.763 11.006 5.358) 12.806 13.371 ( 0.167 5.092 -2.192) 5.546 13.464 ( -0.972 -5.107 0.897) 5.275 14.050 ( -0.519 -2.098 0.315) 2.184 14.205 ( 5.565 4.724 -1.388) 7.430 14.401 ( 1.544 0.426 0.304) 1.630 14.673 ( -1.955 -9.833 0.745) 10.053 15.566 ( -10.712 -6.460 2.068) 12.679 15.885 ( 2.165 -1.420 -6.488) 6.985 16.283 ( 4.319 14.315 5.906) 16.077 17.059 ( -9.209 -3.504 -1.961) 10.046 17.503 ( 8.136 -2.816 -0.944) 8.661 18.045 ( -11.856 1.608 2.225) 12.170 18.421 ( 14.421 1.284 -0.952) 14.510 18.607 ( 0.008 -0.842 -0.092) 0.847 19.434 ( -7.942 -16.263 -0.987) 18.125 19.443 ( 4.812 10.721 0.989) 11.793 20.179 ( -8.556 3.440 -1.206) 9.300 20.340 ( 5.911 1.939 2.747) 6.800 20.560 ( -3.079 -3.485 -1.886) 5.019 21.037 ( -9.377 7.797 0.832) 12.223 21.206 ( 11.003 -5.546 -0.534) 12.333 21.579 ( 2.784 -0.488 0.074) 2.828 ======================= Grid point 34 (28/125) ======================= q-point: (-0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 3.202 0.111 0.319) 3.219 2.199 ( -2.220 -11.070 -1.780) 11.430 2.432 ( -9.000 4.241 4.356) 10.861 2.584 ( -0.309 0.692 -0.497) 0.906 2.751 ( -2.218 -2.526 0.513) 3.400 2.839 ( -3.592 0.164 7.411) 8.238 3.152 ( -7.781 -0.948 -1.137) 7.921 3.209 ( 3.947 1.992 -5.838) 7.323 3.379 ( 1.713 1.454 -0.921) 2.428 3.535 ( -5.040 0.881 -1.702) 5.393 3.589 ( -8.801 -3.763 -6.303) 11.461 3.696 ( 3.169 -4.317 0.183) 5.358 3.820 ( 6.766 4.242 -1.807) 8.187 3.922 ( 2.624 9.799 6.574) 12.088 4.184 ( -1.858 8.349 -6.983) 11.042 4.271 ( -5.706 -3.251 3.078) 7.253 4.470 ( -2.425 1.167 0.694) 2.779 4.600 ( 0.424 0.103 2.681) 2.716 4.921 ( 5.451 -8.396 -0.517) 10.024 5.112 ( 8.655 -4.196 7.024) 11.911 5.279 ( 2.514 -3.054 -1.079) 4.101 5.501 ( 1.826 -1.670 4.809) 5.409 5.612 ( 1.291 -3.017 -9.352) 9.911 5.730 ( -3.038 10.618 0.814) 11.074 6.109 ( -3.725 -4.639 3.786) 7.051 6.226 ( -2.109 3.003 -6.486) 7.453 6.350 ( 0.814 -0.024 1.865) 2.035 7.574 ( -1.449 -9.113 -2.599) 9.586 7.749 ( -2.001 2.701 -0.771) 3.449 7.783 ( -8.584 2.720 3.740) 9.750 7.927 ( 4.378 1.178 0.702) 4.588 8.160 ( -5.733 0.684 0.473) 5.793 8.348 ( 4.793 -2.079 -8.014) 9.566 8.480 ( 5.880 4.341 2.843) 7.842 8.555 ( 9.659 -1.534 0.920) 9.823 8.806 ( 2.964 8.305 -8.113) 11.983 9.046 ( 1.478 2.591 13.948) 14.263 9.432 ( -6.469 0.332 -12.962) 14.491 9.529 ( 3.651 -2.309 3.221) 5.388 9.896 ( 1.250 7.236 5.678) 9.283 10.024 ( 8.212 -3.550 1.168) 9.022 10.321 ( -6.359 -11.025 2.690) 13.009 10.567 ( 3.343 -5.968 -0.353) 6.849 10.756 ( -6.587 2.321 -1.876) 7.232 11.223 ( -0.793 -4.667 -1.707) 5.032 11.382 ( -1.464 2.910 -2.735) 4.254 11.555 ( 1.475 4.471 5.856) 7.514 11.743 ( -4.918 -2.973 -5.398) 7.884 11.901 ( 0.900 11.363 -3.737) 11.995 12.199 ( 0.867 1.961 3.249) 3.893 12.815 ( 1.969 -13.185 1.900) 13.466 13.234 ( -2.676 2.371 0.697) 3.642 13.266 ( 5.435 10.092 -2.434) 11.718 13.366 ( 3.946 3.232 -5.579) 7.559 13.545 ( 7.853 1.531 0.903) 8.052 13.987 ( -2.367 -4.277 1.621) 5.150 14.301 ( -2.309 -1.571 0.805) 2.906 14.427 ( 1.164 11.318 -7.663) 13.718 14.648 ( 7.172 -8.784 15.230) 18.989 15.333 ( -6.052 -11.667 3.042) 13.491 15.828 ( -2.533 -1.962 -10.651) 11.123 16.540 ( 4.329 16.562 1.069) 17.152 16.891 ( -5.768 -4.164 7.298) 10.191 17.438 ( -4.690 -6.702 -13.485) 15.772 17.909 ( -4.749 -5.433 6.461) 9.685 18.471 ( -6.782 2.315 4.197) 8.304 18.771 ( 6.239 6.462 1.703) 9.142 19.109 ( -10.309 -5.945 -4.596) 12.757 19.561 ( -1.177 2.834 3.650) 4.769 20.030 ( -11.272 0.673 3.615) 11.856 20.370 ( -0.796 -8.452 -1.189) 8.572 20.526 ( 7.250 0.829 -8.605) 11.283 21.054 ( 3.048 0.969 2.394) 3.995 21.288 ( 0.259 6.409 1.972) 6.711 21.762 ( 15.580 -0.155 0.007) 15.580 ======================= Grid point 35 (29/125) ======================= q-point: (-0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -17.192 -1.214 1.233) 17.279 2.200 ( -7.180 4.329 -2.393) 8.719 2.281 ( 3.280 -3.846 -1.931) 5.411 2.571 ( -1.780 1.507 -0.723) 2.442 2.745 ( -2.860 3.933 6.241) 7.912 2.847 ( -0.324 0.021 0.764) 0.830 2.973 ( -5.769 -6.198 4.317) 9.504 3.304 ( -0.337 3.703 1.697) 4.087 3.324 ( -13.817 3.295 -5.919) 15.388 3.361 ( -3.809 2.823 -3.720) 6.026 3.517 ( 2.663 1.751 -3.484) 4.722 3.740 ( -2.973 -1.297 1.550) 3.595 3.793 ( -0.302 0.758 3.246) 3.347 4.074 ( 3.552 1.151 2.716) 4.617 4.231 ( 3.016 1.039 4.554) 5.561 4.330 ( -0.671 0.569 -0.568) 1.047 4.357 ( 2.531 3.695 -7.041) 8.345 4.685 ( -1.477 0.814 4.510) 4.815 4.918 ( 5.129 -6.185 -2.216) 8.335 5.192 ( -6.633 -0.307 0.098) 6.641 5.235 ( 12.886 -10.414 1.167) 16.609 5.559 ( 3.981 -0.912 -10.443) 11.214 5.595 ( -0.041 0.542 1.321) 1.428 5.812 ( 2.300 4.950 4.096) 6.824 6.007 ( -4.669 -0.057 5.202) 6.990 6.155 ( -5.137 0.863 -6.194) 8.094 6.391 ( 2.655 -1.401 1.395) 3.310 7.420 ( -3.234 -8.787 -3.533) 10.007 7.700 ( -6.167 5.923 3.333) 9.177 7.776 ( 1.602 2.027 -3.722) 4.531 7.978 ( -5.121 3.417 0.269) 6.162 8.124 ( 3.282 -0.631 3.338) 4.724 8.347 ( 6.845 -2.132 -5.415) 8.985 8.521 ( -6.822 2.447 5.298) 8.977 8.770 ( 12.569 -5.651 -1.408) 13.853 8.990 ( 9.025 10.329 -5.040) 14.613 9.186 ( -0.457 2.411 8.033) 8.400 9.275 ( -1.052 5.882 -6.038) 8.495 9.597 ( 4.144 -3.077 -4.814) 7.058 9.916 ( -6.147 -1.331 2.275) 6.688 10.092 ( 0.761 -7.179 4.086) 8.295 10.214 ( 9.963 -9.299 1.844) 13.753 10.559 ( -0.051 3.234 3.104) 4.483 10.729 ( 2.592 -1.005 1.326) 3.081 11.038 ( -4.559 -7.320 -9.134) 12.562 11.436 ( 0.543 3.781 2.642) 4.644 11.552 ( -8.895 0.751 -8.861) 12.578 11.747 ( 3.585 8.273 10.123) 13.556 12.005 ( 0.055 8.596 -4.962) 9.925 12.157 ( -5.895 -1.123 2.586) 6.535 12.821 ( 11.804 -12.847 -1.317) 17.496 13.155 ( -6.010 2.456 0.008) 6.493 13.385 ( -1.434 6.881 -0.876) 7.083 13.508 ( 10.532 -1.463 -4.195) 11.430 13.719 ( 8.952 3.791 -3.803) 10.439 13.926 ( -0.553 -4.610 3.759) 5.974 14.171 ( -6.435 -4.244 1.109) 7.787 14.514 ( 0.004 6.869 -5.574) 8.846 14.870 ( 12.427 -0.839 18.577) 22.366 15.198 ( 2.315 -6.053 1.175) 6.587 15.694 ( -2.501 -5.374 -10.371) 11.946 16.714 ( 2.487 0.563 -12.029) 12.296 16.795 ( -11.870 7.780 16.347) 21.648 17.272 ( 1.666 -4.749 -2.896) 5.807 17.764 ( -4.871 -8.708 -3.073) 10.440 18.309 ( -20.317 7.420 8.931) 23.401 18.743 ( -10.641 5.360 -4.308) 12.670 19.085 ( 3.933 6.444 -3.816) 8.459 19.480 ( -14.825 7.115 1.478) 16.511 19.853 ( -10.053 -4.181 13.285) 17.176 20.324 ( 8.305 -6.837 -6.407) 12.521 20.669 ( 10.539 -2.161 -0.312) 10.763 21.093 ( 6.478 -9.486 -4.373) 12.291 21.396 ( -0.758 11.524 4.437) 12.372 22.041 ( 18.231 -4.029 -2.019) 18.780 ======================= Grid point 37 (30/125) ======================= q-point: ( 0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -14.749 11.312 -7.395) 20.004 2.009 ( -2.602 4.542 3.524) 6.310 2.422 ( 0.024 2.753 -3.600) 4.532 2.532 ( -7.459 -1.335 1.719) 7.770 2.748 ( 11.835 2.051 0.500) 12.022 2.920 ( -4.442 0.471 -2.948) 5.352 3.033 ( -2.835 4.774 7.022) 8.952 3.250 ( -6.528 5.963 -2.009) 9.067 3.406 ( -1.874 3.513 4.038) 5.671 3.436 ( -1.331 -1.247 -1.193) 2.179 3.543 ( 6.273 0.766 -1.076) 6.410 3.776 ( -2.910 3.056 6.706) 7.923 3.895 ( 5.356 -3.196 2.553) 6.739 4.052 ( -5.513 -1.402 5.546) 7.945 4.136 ( -9.425 4.434 5.698) 11.873 4.267 ( 2.658 -6.869 1.629) 7.543 4.456 ( 5.027 -2.759 -6.345) 8.553 4.619 ( -6.457 1.937 -3.268) 7.492 4.887 ( 7.768 -1.699 -4.301) 9.040 4.995 ( -0.859 -2.433 -3.328) 4.211 5.305 ( 7.247 -1.351 -9.121) 11.728 5.505 ( -0.978 3.777 -8.521) 9.372 5.555 ( -0.183 -1.320 1.407) 1.938 5.971 ( -5.106 -2.445 -0.422) 5.677 5.994 ( 3.796 -1.105 10.058) 10.807 6.225 ( 2.374 7.218 3.690) 8.447 6.348 ( 0.798 -3.878 -0.143) 3.961 7.317 ( 0.782 6.717 -1.998) 7.052 7.681 ( -1.735 0.781 -1.601) 2.486 7.851 ( -9.314 2.975 3.258) 10.306 8.007 ( 5.685 -2.475 0.975) 6.277 8.191 ( 4.232 0.233 -1.579) 4.523 8.386 ( -9.335 -5.562 3.329) 11.365 8.497 ( 3.623 0.712 -1.792) 4.104 8.728 ( 14.796 -10.878 2.837) 18.582 9.048 ( -6.898 4.272 -1.989) 8.354 9.187 ( 5.000 -2.803 -7.942) 9.795 9.370 ( -3.688 -3.665 5.773) 7.769 9.435 ( -5.985 -5.155 -2.808) 8.383 9.858 ( 1.879 -3.800 3.409) 5.440 9.981 ( 3.237 7.430 -0.060) 8.105 10.323 ( 10.774 1.403 -3.213) 11.330 10.497 ( -6.655 -5.323 -6.732) 10.860 10.845 ( 6.586 2.329 0.603) 7.012 11.104 ( 8.733 5.154 0.765) 10.169 11.408 ( -5.133 -4.186 3.162) 7.339 11.471 ( -5.937 10.255 1.693) 11.969 11.846 ( -8.489 -10.055 -1.049) 13.201 11.994 ( 1.081 -1.555 -2.157) 2.870 12.178 ( -2.533 4.035 8.464) 9.712 12.814 ( 14.129 -0.290 -3.686) 14.605 13.161 ( -1.320 0.793 -1.275) 1.999 13.315 ( -2.983 -5.062 0.619) 5.908 13.627 ( 4.492 -2.805 3.950) 6.607 13.765 ( 3.905 -3.924 -3.040) 6.315 13.909 ( 0.606 -3.168 -1.676) 3.634 13.977 ( -3.114 4.893 -0.591) 5.830 14.517 ( -1.631 -1.393 8.348) 8.619 14.918 ( -5.291 -17.023 -11.212) 21.059 15.331 ( 13.820 6.994 -6.728) 16.887 15.696 ( 7.572 4.893 8.402) 12.323 16.404 ( -11.296 -1.680 12.800) 17.154 17.092 ( 3.839 8.896 5.444) 11.113 17.260 ( -2.498 -3.011 -22.051) 22.396 17.567 ( -2.626 7.322 12.857) 15.027 18.523 ( -8.880 19.660 1.231) 21.607 18.681 ( -9.799 3.132 -4.019) 11.044 19.092 ( -2.995 -8.637 -5.990) 10.930 19.516 ( -14.156 8.276 0.921) 16.424 19.847 ( -3.897 7.333 14.794) 16.965 20.330 ( 12.410 -0.223 -5.648) 13.637 20.734 ( 8.381 -9.004 -1.229) 12.362 20.891 ( 3.872 -3.083 4.867) 6.942 21.526 ( -4.985 -2.447 0.125) 5.555 21.986 ( 11.812 -13.704 -6.120) 19.099 ======================= Grid point 38 (31/125) ======================= q-point: ( 0.22 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -8.375 14.546 -8.844) 18.972 2.117 ( -0.409 15.160 8.378) 17.326 2.396 ( -4.469 -3.939 -1.927) 6.261 2.430 ( 0.630 2.683 -3.280) 4.285 2.804 ( -4.797 -1.223 0.852) 5.023 2.991 ( 5.475 -0.071 6.205) 8.276 3.079 ( 0.307 7.863 2.623) 8.295 3.212 ( -3.028 6.972 -3.138) 8.223 3.381 ( -4.460 -0.386 1.382) 4.685 3.436 ( -0.969 4.493 5.807) 7.406 3.638 ( 4.981 -1.321 -0.753) 5.208 3.738 ( -3.251 -2.799 -1.248) 4.468 3.865 ( -5.415 -0.143 3.268) 6.326 3.928 ( -8.718 7.989 1.843) 11.968 4.159 ( 4.452 -8.077 5.908) 10.952 4.325 ( 2.199 5.534 -2.826) 6.591 4.480 ( 5.428 -5.562 -3.981) 8.732 4.557 ( 1.780 -2.162 2.769) 3.938 4.883 ( -4.944 1.197 -3.052) 5.932 4.991 ( 2.899 -2.915 -2.058) 4.597 5.276 ( 1.332 -5.388 -13.310) 14.421 5.537 ( -0.926 3.065 -11.873) 12.297 5.554 ( 2.621 0.991 4.018) 4.899 5.854 ( -4.888 -1.442 1.502) 5.313 6.085 ( 3.264 -2.362 9.967) 10.751 6.304 ( -0.750 -4.508 -1.023) 4.683 6.352 ( 2.168 5.944 3.160) 7.072 7.426 ( -0.000 14.055 -2.572) 14.289 7.666 ( -0.283 1.000 -0.171) 1.053 7.741 ( -4.420 -1.060 3.058) 5.478 8.068 ( 5.607 -8.198 1.618) 10.064 8.203 ( -5.266 -1.867 4.195) 6.987 8.248 ( 0.905 2.872 -7.139) 7.748 8.592 ( 4.132 1.792 -2.589) 5.195 8.829 ( 10.156 -13.658 3.316) 17.340 9.027 ( -2.862 3.294 6.385) 7.733 9.165 ( 2.993 -12.969 -3.248) 13.701 9.204 ( -2.142 -8.091 -8.629) 12.021 9.388 ( -1.507 9.565 0.717) 9.710 9.920 ( 4.423 -0.383 4.061) 6.016 10.043 ( -3.008 3.555 2.910) 5.491 10.267 ( -3.824 -11.483 -5.149) 13.153 10.555 ( 8.535 7.149 -5.274) 12.319 10.929 ( -2.639 -2.741 5.233) 6.470 11.154 ( -0.870 2.876 -6.499) 7.160 11.253 ( -5.337 -0.832 -2.475) 5.942 11.573 ( -3.323 1.370 4.218) 5.542 11.747 ( 6.781 6.368 2.106) 9.538 11.980 ( 1.061 -2.306 -5.343) 5.915 12.187 ( -3.064 0.767 11.465) 11.892 12.941 ( 0.313 -0.272 -6.699) 6.712 13.111 ( 0.749 -13.589 0.521) 13.620 13.314 ( 5.822 4.636 1.412) 7.575 13.647 ( 3.375 -6.283 0.861) 7.184 13.778 ( 4.538 -8.207 1.507) 9.498 13.879 ( 0.853 -1.190 -3.447) 3.745 13.991 ( -4.340 9.371 -2.191) 10.557 14.460 ( -10.080 -3.224 -9.975) 14.543 14.706 ( 9.059 -13.503 9.426) 18.795 15.566 ( 5.656 0.433 7.629) 9.507 15.886 ( 9.644 4.591 -4.500) 11.591 16.279 ( -10.007 -0.121 13.048) 16.444 17.123 ( -5.464 7.000 -21.541) 23.299 17.218 ( 0.468 2.377 7.822) 8.188 17.664 ( -2.009 12.884 10.545) 16.770 18.450 ( -13.177 3.542 1.022) 13.683 18.743 ( 3.731 18.159 -1.619) 18.609 18.915 ( -0.782 -7.467 -8.680) 11.476 19.347 ( -14.466 10.994 -0.419) 18.175 19.935 ( -5.814 10.622 16.266) 20.279 20.488 ( 7.376 -2.677 -1.082) 7.921 20.810 ( 12.899 -9.267 -4.368) 16.472 20.908 ( -1.982 -2.757 4.898) 5.960 21.420 ( -0.812 -6.528 -0.682) 6.614 21.985 ( 9.260 -17.441 -6.808) 20.887 ======================= Grid point 39 (32/125) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 1.061 14.498 -2.356) 14.726 2.280 ( -2.330 1.747 -5.944) 6.619 2.345 ( 2.822 12.863 5.114) 14.127 2.465 ( 1.121 2.384 -4.666) 5.358 2.740 ( -2.221 -0.684 9.020) 9.314 2.989 ( -2.867 -8.449 9.271) 12.867 3.129 ( -4.117 5.153 -1.540) 6.773 3.261 ( -4.754 4.083 4.340) 7.623 3.286 ( -0.383 3.734 -6.599) 7.592 3.549 ( 3.278 7.877 4.337) 9.570 3.640 ( -0.945 -1.678 -2.740) 3.350 3.711 ( 5.946 -1.098 -5.545) 8.204 3.795 ( -0.561 -8.278 2.062) 8.549 3.958 ( -6.904 19.448 11.292) 23.524 4.136 ( 2.383 -9.126 -1.682) 9.581 4.333 ( -2.964 4.480 -2.674) 6.000 4.489 ( -0.887 -2.300 -1.618) 2.949 4.636 ( 6.283 -3.755 0.877) 7.372 4.776 ( -1.626 -7.786 -2.543) 8.350 4.984 ( -0.845 0.138 -3.725) 3.822 5.197 ( 0.737 -2.630 -5.152) 5.831 5.477 ( -2.266 -0.355 -6.936) 7.306 5.626 ( 2.266 4.109 -2.194) 5.180 5.803 ( -0.239 -2.937 3.707) 4.735 6.137 ( -0.726 0.197 6.568) 6.611 6.228 ( -0.351 -5.767 -1.890) 6.079 6.435 ( 0.225 4.246 2.311) 4.839 7.471 ( -5.453 2.191 -2.507) 6.390 7.704 ( 3.480 9.968 2.025) 10.750 7.796 ( 4.804 3.209 -1.038) 5.870 8.056 ( 1.499 -7.413 3.720) 8.428 8.187 ( -0.077 5.054 7.178) 8.779 8.290 ( 2.502 5.036 -5.742) 8.036 8.589 ( -4.074 -0.452 0.045) 4.099 8.751 ( -3.608 -17.059 -6.952) 18.771 8.941 ( -3.714 -7.805 6.738) 10.960 9.129 ( 4.849 0.626 -9.000) 10.243 9.215 ( 9.860 -7.427 0.631) 12.361 9.522 ( 6.649 6.280 -1.682) 9.300 9.897 ( -15.030 2.624 3.172) 15.584 10.024 ( 3.934 -4.297 0.125) 5.828 10.137 ( 1.528 -6.270 1.050) 6.539 10.652 ( -2.161 0.059 -1.874) 2.860 10.857 ( -0.306 1.669 5.067) 5.343 11.055 ( -3.894 -3.650 -8.785) 10.279 11.311 ( 3.586 9.799 -2.723) 10.784 11.563 ( 1.234 -0.555 6.785) 6.919 11.907 ( -2.933 1.816 -0.155) 3.453 11.959 ( 2.316 3.585 -4.949) 6.535 12.217 ( 0.508 2.509 7.741) 8.154 12.751 ( -4.355 -19.129 -3.372) 19.906 13.065 ( -0.242 3.853 -1.403) 4.108 13.446 ( 2.794 2.706 -0.314) 3.902 13.668 ( 3.616 -9.380 3.803) 10.748 13.762 ( 5.431 -7.550 -3.938) 10.100 13.898 ( 0.499 4.633 -2.156) 5.135 13.958 ( -4.718 0.744 -5.064) 6.961 14.203 ( -7.781 -2.180 -1.805) 8.280 14.894 ( 13.827 -4.022 8.426) 16.684 15.655 ( 1.774 -0.276 11.790) 11.926 15.947 ( -4.249 -7.747 1.794) 9.016 16.249 ( 3.728 6.734 -3.885) 8.622 16.980 ( -7.999 5.193 -4.484) 10.538 17.278 ( -1.994 4.250 -8.682) 9.870 17.727 ( -7.234 5.842 11.015) 14.415 18.410 ( 4.221 6.949 6.100) 10.164 18.870 ( -8.163 9.621 1.132) 12.668 18.901 ( 4.729 3.252 -10.532) 11.994 19.350 ( 2.672 13.369 -0.420) 13.639 19.948 ( -10.123 8.267 11.634) 17.498 20.521 ( 3.901 -9.942 2.660) 11.007 20.807 ( -4.492 -5.047 -0.578) 6.781 20.934 ( 8.592 -4.002 -1.886) 9.665 21.379 ( 1.614 -3.556 0.212) 3.911 21.909 ( 5.234 -16.687 -6.406) 18.625 ======================= Grid point 40 (33/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 3.371 7.310 1.424) 8.175 2.217 ( -0.123 -1.002 -6.400) 6.479 2.449 ( -0.022 -0.692 -4.082) 4.140 2.571 ( 2.353 16.026 0.650) 16.211 2.806 ( 1.632 -2.924 8.214) 8.871 2.863 ( -1.434 -3.600 5.484) 6.715 3.022 ( -3.899 -4.166 -6.425) 8.593 3.254 ( -4.849 6.325 8.762) 11.845 3.342 ( 0.825 7.610 -3.987) 8.630 3.602 ( 0.423 -5.035 2.386) 5.588 3.661 ( 2.044 -1.580 -3.007) 3.964 3.719 ( 0.178 -3.185 4.632) 5.624 3.808 ( 3.019 1.768 -1.779) 3.925 4.063 ( -0.829 -1.751 -1.715) 2.587 4.125 ( 0.707 10.422 3.921) 11.158 4.310 ( -7.935 9.147 4.492) 12.915 4.426 ( -1.271 -0.610 -0.491) 1.493 4.630 ( 1.961 -9.962 -2.151) 10.379 4.714 ( 5.536 -6.151 -5.300) 9.827 4.910 ( -1.324 -3.005 -6.839) 7.586 5.244 ( 2.035 2.797 2.279) 4.142 5.413 ( -0.950 -1.402 -3.655) 4.028 5.697 ( 1.815 4.415 -3.915) 6.174 5.785 ( 0.433 -5.821 5.203) 7.819 6.088 ( -6.260 3.706 0.812) 7.320 6.212 ( 3.543 -4.798 0.504) 5.986 6.472 ( -0.536 2.400 1.809) 3.053 7.392 ( -0.309 -2.568 -0.331) 2.608 7.841 ( -0.804 0.868 -2.471) 2.740 7.937 ( 3.393 14.685 -0.812) 15.094 8.037 ( 0.783 2.149 5.099) 5.588 8.352 ( -1.481 3.637 3.397) 5.193 8.359 ( 3.366 3.003 4.853) 6.626 8.435 ( -3.788 -10.926 -5.822) 12.947 8.515 ( -2.525 -3.601 3.545) 5.649 8.793 ( -1.920 -8.261 -7.555) 11.358 9.176 ( -3.214 4.476 -4.949) 7.407 9.287 ( 5.459 -6.698 -0.697) 8.668 9.608 ( -14.020 1.761 9.687) 17.132 9.750 ( 14.711 -3.508 -6.998) 16.665 10.013 ( 0.525 -3.813 -1.540) 4.145 10.159 ( 1.062 0.169 1.908) 2.190 10.608 ( 0.076 0.415 -0.695) 0.813 10.886 ( -3.006 -2.426 13.243) 13.795 10.978 ( 2.891 1.273 -14.848) 15.180 11.454 ( 1.896 7.819 -0.203) 8.048 11.641 ( 2.384 2.205 8.284) 8.898 11.788 ( -5.964 -3.951 -5.093) 8.782 11.973 ( -6.983 8.270 0.399) 10.831 12.289 ( 2.103 1.983 1.217) 3.136 12.522 ( 2.351 -16.573 -1.224) 16.783 13.133 ( 1.647 5.992 -0.733) 6.257 13.478 ( -2.702 1.154 -1.101) 3.138 13.575 ( -1.375 -7.651 1.093) 7.850 13.752 ( -3.266 0.352 1.152) 3.481 13.849 ( -0.752 -5.216 0.246) 5.276 13.965 ( 5.005 0.174 -5.535) 7.465 14.157 ( 0.378 2.296 1.036) 2.548 15.086 ( 5.067 -2.088 3.301) 6.398 15.628 ( -3.888 -0.174 -1.678) 4.238 15.883 ( 3.285 -5.081 5.070) 7.894 16.318 ( -2.003 3.693 -1.081) 4.338 17.014 ( 5.644 3.245 -0.912) 6.574 17.130 ( -7.466 -0.084 0.736) 7.503 17.749 ( 2.231 1.976 -0.091) 2.982 18.674 ( 8.482 8.914 5.454) 13.459 18.738 ( -12.074 7.526 -0.494) 14.237 18.971 ( 0.234 1.918 -6.405) 6.690 19.560 ( 7.344 3.428 1.520) 8.246 19.925 ( -2.727 9.060 3.778) 10.188 20.437 ( -0.363 -12.507 -0.756) 12.535 20.721 ( -0.178 -3.351 4.059) 5.266 20.980 ( -0.136 -1.171 -0.280) 1.212 21.377 ( -0.782 0.645 -0.869) 1.335 21.794 ( 0.591 -10.961 -4.460) 11.849 ======================= Grid point 41 (34/125) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -1.918 -4.995 0.804) 5.410 2.246 ( 4.709 0.017 -1.531) 4.951 2.419 ( -2.281 -0.333 -1.794) 2.921 2.673 ( -0.503 -7.485 -2.415) 7.881 2.781 ( 2.747 11.235 -6.815) 13.424 2.922 ( 1.548 -2.859 -7.268) 7.962 3.009 ( 5.454 5.385 8.566) 11.494 3.286 ( -3.250 5.018 12.787) 14.116 3.396 ( 1.413 -1.810 0.329) 2.320 3.570 ( -1.630 -7.554 1.117) 7.808 3.594 ( -1.220 0.845 4.382) 4.626 3.741 ( 0.438 -2.608 -1.249) 2.925 3.778 ( -3.699 -2.776 -2.853) 5.434 4.013 ( -0.856 4.235 -8.793) 9.797 4.219 ( -0.043 1.971 -0.815) 2.133 4.263 ( -7.790 6.209 9.412) 13.705 4.519 ( 3.658 4.317 4.668) 7.336 4.604 ( 7.989 -3.452 -2.513) 9.058 4.704 ( 2.208 -6.923 -7.605) 10.519 4.908 ( 4.019 0.832 2.643) 4.881 5.228 ( -4.166 -1.784 -5.486) 7.116 5.419 ( 2.080 1.298 0.383) 2.482 5.692 ( -2.379 -3.030 1.445) 4.114 5.777 ( 1.841 -1.122 2.219) 3.094 6.066 ( -3.881 7.405 1.999) 8.596 6.227 ( 3.386 -3.104 -3.135) 5.561 6.478 ( -1.250 0.287 1.591) 2.043 7.435 ( 6.501 0.041 1.322) 6.634 7.797 ( -4.301 1.381 -0.834) 4.594 7.956 ( -2.969 0.584 -1.122) 3.228 8.077 ( -5.907 -15.011 -5.212) 16.953 8.286 ( 1.239 21.375 4.703) 21.921 8.353 ( -1.235 -4.816 4.490) 6.699 8.405 ( -2.714 -6.082 -5.075) 8.374 8.529 ( -0.613 2.465 7.477) 7.897 8.830 ( 10.825 3.080 -2.285) 11.484 9.022 ( -16.096 9.092 -6.022) 19.442 9.238 ( -0.641 -8.001 -2.540) 8.419 9.531 ( -1.070 0.111 11.701) 11.750 9.944 ( 2.592 -0.915 -1.139) 2.975 10.021 ( 13.183 -4.297 -4.459) 14.565 10.133 ( -3.541 0.043 -4.094) 5.413 10.651 ( 3.462 1.269 -3.475) 5.066 10.885 ( -1.868 -1.337 16.820) 16.976 10.980 ( 3.537 -0.190 -11.320) 11.861 11.463 ( -3.154 -5.297 1.037) 6.251 11.633 ( -4.359 -2.050 -5.679) 7.447 11.740 ( -0.740 7.278 9.234) 11.781 11.963 ( -4.007 11.688 -0.039) 12.356 12.306 ( -1.797 -2.980 -0.426) 3.506 12.530 ( 11.165 -3.937 -1.321) 11.912 13.166 ( -0.311 -4.484 0.388) 4.512 13.408 ( -6.386 8.039 0.847) 10.302 13.499 ( -5.001 2.893 -2.645) 6.354 13.671 ( -8.185 -2.852 7.118) 11.216 13.892 ( 7.685 0.794 2.465) 8.109 14.006 ( 4.014 -3.519 -3.382) 6.320 14.223 ( 5.337 -0.536 -0.576) 5.395 14.963 ( -10.985 -3.220 -7.793) 13.847 15.715 ( 7.493 0.924 6.089) 9.699 15.850 ( -1.535 1.370 -12.028) 12.203 16.268 ( -6.794 0.613 6.054) 9.121 17.051 ( 8.555 -3.305 2.740) 9.571 17.252 ( 4.810 -0.863 10.284) 11.386 17.840 ( 10.460 2.409 -10.385) 14.935 18.514 ( -14.037 1.829 -4.374) 14.816 18.839 ( -10.336 0.131 3.336) 10.862 18.998 ( 13.373 2.467 0.397) 13.604 19.604 ( 1.090 -10.727 -0.516) 10.795 20.083 ( 8.814 6.112 -1.928) 10.898 20.343 ( -1.879 1.920 -2.485) 3.660 20.742 ( 2.400 -5.310 10.727) 12.208 20.917 ( -4.660 1.434 -3.350) 5.916 21.339 ( -4.918 2.523 -1.862) 5.833 21.693 ( -3.622 -1.026 -0.493) 3.797 ======================= Grid point 43 (35/125) ======================= q-point: (-0.33 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 2.681 -9.200 4.311) 10.508 2.334 ( -3.927 -3.166 -2.242) 5.520 2.338 ( 5.438 1.643 -2.096) 6.055 2.570 ( 1.009 -9.955 -0.571) 10.022 2.832 ( 1.338 -0.202 -6.320) 6.463 2.978 ( 2.188 5.554 -7.654) 9.706 3.181 ( 1.157 2.458 3.437) 4.381 3.318 ( -0.948 -3.962 13.446) 14.050 3.346 ( -0.042 -2.300 -0.015) 2.300 3.517 ( 0.622 -0.020 6.910) 6.938 3.572 ( -2.956 -0.870 -5.864) 6.625 3.688 ( -0.558 -2.544 -4.139) 4.890 3.731 ( -0.170 5.733 1.772) 6.003 4.039 ( -2.434 5.570 -7.906) 9.973 4.160 ( -1.947 1.418 7.832) 8.194 4.323 ( 1.503 5.518 -1.976) 6.050 4.537 ( 0.043 -6.682 2.434) 7.112 4.604 ( 2.864 -10.043 -9.118) 13.864 4.818 ( 8.748 5.697 3.083) 10.885 4.990 ( -2.496 -2.019 1.364) 3.488 5.102 ( -1.931 1.938 1.094) 2.947 5.477 ( 1.593 1.515 3.428) 4.072 5.627 ( -1.660 -4.242 1.111) 4.689 5.826 ( 2.177 1.768 2.365) 3.668 6.077 ( -2.418 4.425 -1.035) 5.148 6.246 ( 2.076 0.440 -4.347) 4.838 6.442 ( -2.795 -1.705 0.976) 3.416 7.596 ( 7.960 -1.072 3.438) 8.737 7.718 ( -2.959 -1.652 -2.485) 4.202 7.825 ( -0.360 -11.216 -2.195) 11.435 7.944 ( -4.108 4.672 -2.692) 6.779 8.250 ( -2.385 -5.173 -2.538) 6.236 8.283 ( -0.774 -4.480 4.996) 6.755 8.492 ( -5.881 15.906 0.728) 16.974 8.586 ( -3.796 4.634 7.896) 9.912 8.869 ( -4.530 15.326 -13.413) 20.864 9.016 ( 0.011 -1.590 15.126) 15.209 9.184 ( 7.336 -2.073 -11.780) 14.031 9.565 ( 2.696 -7.354 9.252) 12.122 9.927 ( -2.702 1.107 0.687) 2.999 10.024 ( -6.464 4.465 -3.283) 8.515 10.213 ( 12.672 -4.350 -7.596) 15.401 10.642 ( -4.995 -4.829 5.943) 9.142 10.910 ( 2.312 1.646 -0.958) 2.995 11.080 ( 6.179 4.145 0.854) 7.489 11.327 ( -2.163 -7.392 0.535) 7.720 11.569 ( 0.083 -0.040 -1.626) 1.628 11.828 ( -2.093 7.277 7.322) 10.533 11.982 ( -1.338 -7.616 -1.321) 7.845 12.200 ( -5.697 6.759 -5.144) 10.227 12.762 ( 12.972 5.211 -0.338) 13.984 13.072 ( -4.752 -5.589 1.556) 7.500 13.388 ( -4.614 3.010 3.856) 6.725 13.469 ( -6.340 5.807 3.047) 9.122 13.527 ( -6.913 8.479 -3.795) 11.580 13.993 ( 2.288 -5.406 -0.433) 5.886 14.090 ( 9.417 -1.617 6.174) 11.376 14.319 ( 6.714 0.260 -0.124) 6.720 14.711 ( -9.617 -1.353 -8.998) 13.239 15.678 ( -5.992 -3.883 -10.046) 12.325 15.866 ( -2.759 1.924 5.181) 6.177 16.285 ( 6.551 5.232 0.046) 8.384 17.175 ( -3.171 -13.795 19.725) 24.279 17.277 ( 8.815 4.345 -12.496) 15.898 18.018 ( 7.766 -9.438 -12.345) 17.372 18.344 ( -0.700 7.469 5.246) 9.154 18.707 ( -6.730 4.121 2.905) 8.410 19.167 ( 7.847 -15.734 2.236) 17.724 19.492 ( 2.721 -4.943 -3.094) 6.435 20.198 ( 3.758 -5.197 -6.067) 8.828 20.397 ( 0.100 12.999 -4.585) 13.784 20.648 ( -12.011 -5.036 11.040) 17.074 20.950 ( 8.177 -0.761 -6.192) 10.285 21.272 ( -5.268 6.070 2.324) 8.366 21.656 ( -5.530 8.413 2.744) 10.435 ======================= Grid point 44 (36/125) ======================= q-point: (-0.22 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 9.726 -7.112 7.640) 14.267 2.174 ( -5.629 -6.259 -7.104) 11.015 2.449 ( 4.187 -0.451 -0.692) 4.268 2.563 ( 6.836 -3.423 2.965) 8.200 2.773 ( -8.435 -0.671 -2.930) 8.954 2.957 ( -1.004 -5.026 4.636) 6.911 3.131 ( -0.447 -0.636 -5.090) 5.149 3.315 ( 1.201 -1.860 -1.822) 2.867 3.353 ( -4.315 4.338 6.627) 9.020 3.509 ( 1.157 -3.795 -4.254) 5.817 3.590 ( 1.407 -3.335 -2.601) 4.458 3.701 ( -0.582 6.683 -0.444) 6.723 3.800 ( -0.277 6.625 1.394) 6.776 4.011 ( 0.149 6.085 -0.287) 6.093 4.238 ( 2.375 0.850 1.413) 2.891 4.302 ( -7.068 2.181 -5.300) 9.099 4.500 ( 10.575 -7.106 -4.219) 13.421 4.596 ( 4.149 -4.154 0.515) 5.894 4.803 ( -12.201 0.842 -1.367) 12.306 4.981 ( 4.758 -2.094 5.667) 7.690 5.208 ( 4.424 0.626 9.076) 10.117 5.513 ( -1.020 -2.094 8.964) 9.261 5.557 ( -0.649 -0.956 -6.332) 6.437 5.886 ( -1.493 6.752 -0.471) 6.931 6.068 ( 1.191 -2.692 -2.314) 3.745 6.266 ( -0.680 3.873 -3.102) 5.008 6.362 ( -2.878 -3.515 -0.402) 4.561 7.510 ( -3.695 -11.301 -1.249) 11.955 7.726 ( 2.970 -3.926 0.303) 4.932 7.858 ( 5.174 2.986 -0.285) 5.980 7.924 ( -1.634 3.658 0.319) 4.019 8.254 ( 0.341 -3.904 0.008) 3.919 8.279 ( 4.462 4.219 -0.233) 6.145 8.435 ( -9.694 10.277 -3.388) 14.529 8.561 ( -3.261 0.262 4.073) 5.224 8.908 ( -4.656 12.077 -2.032) 13.102 9.126 ( 2.980 6.672 15.042) 16.723 9.276 ( 9.299 -1.406 -14.380) 17.182 9.539 ( 0.245 -8.808 4.299) 9.804 9.877 ( 0.671 -1.602 -4.951) 5.247 10.010 ( -3.158 7.209 0.732) 7.905 10.304 ( 1.882 -4.196 -0.092) 4.599 10.495 ( -2.807 -7.887 7.857) 11.481 10.884 ( -6.852 -0.074 -1.943) 7.123 11.185 ( 1.358 -2.226 1.592) 3.055 11.351 ( 6.304 3.464 -5.161) 8.853 11.620 ( 1.392 7.187 3.513) 8.120 11.730 ( -4.093 -12.118 0.459) 12.798 11.932 ( 2.058 3.469 -0.815) 4.115 12.230 ( 0.181 6.846 -5.763) 8.951 12.839 ( -11.332 -6.250 4.734) 13.780 13.064 ( 10.859 5.950 -1.551) 12.479 13.319 ( -1.943 -3.298 0.721) 3.895 13.502 ( -0.747 7.043 1.520) 7.244 13.550 ( -4.815 17.053 -4.226) 18.217 13.950 ( 0.617 -7.397 1.337) 7.542 14.179 ( 5.390 -11.460 3.103) 13.039 14.507 ( 3.705 15.014 -0.042) 15.465 14.575 ( 1.301 -1.919 -0.284) 2.336 15.427 ( -13.143 -8.122 4.970) 16.230 15.822 ( -2.727 -1.000 -6.748) 7.347 16.482 ( 9.390 5.569 -12.883) 16.886 17.044 ( -5.704 -3.421 22.817) 23.766 17.345 ( 1.000 -5.931 -13.421) 14.707 17.853 ( -0.508 -12.756 -5.996) 14.104 18.588 ( 5.729 6.408 8.808) 12.307 18.740 ( 2.871 7.702 1.273) 8.318 19.030 ( 2.581 -18.047 1.864) 18.326 19.584 ( 5.360 2.721 -2.235) 6.413 20.118 ( -1.492 -6.938 -7.294) 10.176 20.388 ( -8.622 -8.564 1.312) 12.223 20.500 ( -4.078 10.826 1.029) 11.614 20.974 ( 1.051 -3.979 -7.646) 8.683 21.385 ( 5.195 9.713 6.465) 12.772 21.682 ( -3.619 9.984 3.040) 11.046 ======================= Grid point 45 (37/125) ======================= q-point: (-0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -2.981 -7.274 -2.663) 8.300 2.004 ( 10.648 1.270 6.520) 12.550 2.402 ( -8.659 -3.211 -6.602) 11.352 2.569 ( -4.878 -2.334 -0.057) 5.408 2.733 ( 10.121 0.688 3.962) 10.891 2.965 ( 0.397 -0.703 7.850) 7.891 3.055 ( -8.101 0.507 -5.342) 9.717 3.317 ( -0.642 3.700 2.897) 4.743 3.391 ( 2.290 0.022 1.861) 2.951 3.460 ( -2.137 -0.425 -7.106) 7.432 3.524 ( -2.741 -3.116 -2.812) 5.014 3.641 ( -2.913 0.618 -1.350) 3.269 3.886 ( 1.245 2.373 0.552) 2.736 4.143 ( -3.007 -3.184 -0.304) 4.390 4.178 ( 5.902 10.406 -2.113) 12.149 4.324 ( -0.120 3.148 0.211) 3.157 4.522 ( -8.341 0.650 0.034) 8.367 4.657 ( 7.257 -7.163 -3.585) 10.808 4.717 ( 5.836 3.255 2.400) 7.100 4.992 ( 0.402 -7.783 5.959) 9.810 5.253 ( -0.752 -2.678 2.134) 3.506 5.490 ( -0.825 -2.540 4.174) 4.955 5.581 ( 3.498 3.126 -2.340) 5.243 5.890 ( -3.959 4.724 -1.907) 6.452 6.051 ( 0.573 -1.473 0.865) 1.802 6.226 ( -4.434 -0.071 -4.926) 6.628 6.332 ( 2.040 -1.104 1.048) 2.545 7.354 ( -1.860 -7.841 -1.165) 8.142 7.737 ( 1.711 -2.743 -0.660) 3.300 7.871 ( -5.128 6.411 0.372) 8.218 8.035 ( 5.904 -2.554 1.091) 6.525 8.221 ( 3.317 -2.741 -3.275) 5.407 8.239 ( -10.349 12.498 -1.012) 16.258 8.516 ( 2.050 -3.115 2.689) 4.598 8.602 ( 8.011 3.362 0.129) 8.689 8.947 ( -1.451 7.145 2.123) 7.594 9.281 ( 3.170 0.638 11.815) 12.250 9.357 ( 0.151 6.739 -14.318) 15.826 9.467 ( 1.366 -1.393 0.846) 2.126 9.895 ( 4.760 -3.637 -4.743) 7.641 10.012 ( -0.357 -5.811 -0.865) 5.886 10.148 ( -8.033 -3.077 6.441) 10.746 10.567 ( 6.786 1.217 8.952) 11.299 10.742 ( -6.179 -1.032 -0.111) 6.265 11.036 ( -8.077 -7.583 -7.819) 13.560 11.445 ( 2.352 3.758 -3.254) 5.499 11.635 ( -0.568 -3.752 -2.672) 4.641 11.807 ( 4.350 11.107 8.994) 14.939 12.018 ( 4.082 4.213 -3.740) 6.958 12.233 ( -2.231 -1.022 -2.775) 3.705 12.623 ( -4.623 -6.561 2.116) 8.301 13.243 ( 1.761 -2.181 -0.216) 2.812 13.322 ( 5.879 5.216 -0.425) 7.871 13.496 ( -4.761 4.285 -1.689) 6.625 13.663 ( 1.662 8.984 -2.726) 9.534 13.905 ( 0.177 -3.432 2.703) 4.373 14.122 ( 1.591 -10.931 -0.521) 11.058 14.554 ( 1.032 5.452 -8.145) 9.856 14.838 ( 7.118 9.982 16.797) 20.795 15.173 ( -6.692 -6.699 6.179) 11.307 15.672 ( -5.975 -5.676 -10.518) 13.362 16.598 ( 6.964 1.981 -12.515) 14.459 17.069 ( -9.795 -2.382 7.846) 12.774 17.193 ( 3.316 -1.141 6.795) 7.646 17.703 ( -2.248 -9.708 -9.236) 13.587 18.680 ( -6.199 3.594 11.151) 13.255 18.810 ( 4.316 -2.851 -2.144) 5.600 19.064 ( 3.765 6.035 -1.040) 7.189 19.651 ( -0.177 2.827 -0.296) 2.848 19.966 ( -4.565 -7.359 -1.452) 8.781 20.206 ( -3.073 -5.295 -0.211) 6.126 20.560 ( 1.096 5.853 1.541) 6.151 20.905 ( 1.321 -6.289 -7.376) 9.782 21.577 ( -0.259 9.945 5.919) 11.576 21.762 ( 6.255 1.442 -0.572) 6.444 ======================= Grid point 93 (38/125) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( -0.000 0.000 33.054) 33.054 0.415 ( -0.000 0.000 33.054) 33.054 0.770 ( -0.000 0.000 61.795) 61.795 2.556 ( 0.000 -0.000 -11.083) 11.083 2.556 ( 0.000 -0.000 -11.083) 11.083 2.902 ( -0.000 0.000 0.768) 0.768 2.926 ( -0.000 0.000 4.548) 4.548 2.926 ( -0.000 0.000 4.548) 4.548 3.374 ( 0.000 -0.000 -2.236) 2.236 3.558 ( 0.000 -0.000 -6.737) 6.737 3.558 ( 0.000 -0.000 -6.737) 6.737 3.737 ( -0.000 0.000 4.693) 4.693 3.737 ( -0.000 0.000 4.693) 4.693 3.858 ( -0.000 0.000 0.980) 0.980 4.377 ( -0.000 0.000 0.385) 0.385 4.473 ( 0.000 -0.000 -6.148) 6.148 4.473 ( 0.000 -0.000 -6.148) 6.148 4.908 ( -0.000 0.000 10.890) 10.890 4.908 ( -0.000 0.000 10.890) 10.890 5.256 ( 0.000 -0.000 -27.074) 27.074 5.357 ( 0.000 0.000 -0.097) 0.097 5.357 ( 0.000 0.000 -0.097) 0.097 5.905 ( -0.000 0.000 3.407) 3.407 5.928 ( 0.000 -0.000 -2.343) 2.343 5.928 ( 0.000 -0.000 -2.343) 2.343 6.134 ( 0.000 -0.000 -1.317) 1.317 6.432 ( -0.000 0.000 11.274) 11.274 6.894 ( 0.000 -0.000 -6.558) 6.558 7.758 ( -0.000 0.000 10.020) 10.020 7.894 ( 0.000 -0.000 -2.517) 2.517 7.894 ( 0.000 -0.000 -2.517) 2.517 8.002 ( -0.000 0.000 0.971) 0.971 8.002 ( -0.000 0.000 0.971) 0.971 8.965 ( 0.000 -0.000 -4.399) 4.399 9.046 ( -0.000 0.000 4.629) 4.629 9.046 ( -0.000 0.000 4.629) 4.629 9.199 ( 0.000 -0.000 -1.754) 1.754 9.199 ( 0.000 -0.000 -1.754) 1.754 9.242 ( -0.000 0.000 5.413) 5.413 10.137 ( -0.000 0.000 3.944) 3.944 10.137 ( -0.000 0.000 3.944) 3.944 10.931 ( 0.000 -0.000 -3.873) 3.873 10.931 ( 0.000 -0.000 -3.873) 3.873 11.005 ( 0.000 -0.000 -3.177) 3.177 11.005 ( 0.000 -0.000 -3.177) 3.177 11.247 ( 0.000 -0.000 -14.314) 14.314 11.384 ( 0.000 -0.000 -7.679) 7.679 11.724 ( -0.000 0.000 1.078) 1.078 11.724 ( -0.000 0.000 1.078) 1.078 11.843 ( -0.000 0.000 20.254) 20.254 12.681 ( -0.000 0.000 1.100) 1.100 13.127 ( 0.000 -0.000 -1.439) 1.439 13.352 ( -0.000 0.000 2.551) 2.551 13.352 ( -0.000 0.000 2.551) 2.551 14.234 ( -0.000 0.000 0.169) 0.169 14.234 ( -0.000 0.000 0.169) 0.169 14.371 ( -0.000 0.000 0.360) 0.360 14.522 ( 0.000 -0.000 -3.046) 3.046 15.292 ( 0.000 -0.000 -0.286) 0.286 16.133 ( -0.000 0.000 0.868) 0.868 16.133 ( -0.000 0.000 0.868) 0.868 16.840 ( 0.000 -0.000 -2.900) 2.900 16.840 ( 0.000 -0.000 -2.900) 2.900 17.475 ( -0.000 0.000 0.039) 0.039 17.495 ( 0.000 0.000 -0.197) 0.197 17.495 ( 0.000 0.000 -0.197) 0.197 17.726 ( 0.000 0.000 -0.108) 0.108 17.726 ( 0.000 -0.000 -0.108) 0.108 17.743 ( -0.000 0.000 1.036) 1.036 20.936 ( -0.000 0.000 1.460) 1.460 20.936 ( -0.000 0.000 1.460) 1.460 21.197 ( 0.000 -0.000 -0.625) 0.625 21.485 ( 0.000 -0.000 -0.631) 0.631 21.485 ( 0.000 -0.000 -0.631) 0.631 23.093 ( -0.000 0.000 0.533) 0.533 ======================= Grid point 94 (39/125) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 7.899 17.536 18.983) 27.023 0.875 ( 23.502 9.777 19.526) 32.081 1.486 ( 31.870 14.669 43.733) 56.066 2.510 ( 1.070 0.465 -14.916) 14.961 2.573 ( 3.538 3.919 -12.174) 13.270 2.809 ( -3.868 -3.008 4.875) 6.911 2.944 ( 0.893 0.110 4.000) 4.100 3.000 ( 2.837 1.476 4.750) 5.726 3.229 ( -8.665 -5.575 -2.135) 10.522 3.416 ( -7.283 0.635 -1.165) 7.403 3.610 ( -0.791 -4.064 -0.401) 4.160 3.654 ( 6.918 -6.120 -6.023) 11.027 3.848 ( -1.471 10.593 1.470) 10.795 4.028 ( 10.828 5.425 -0.756) 12.134 4.305 ( -6.918 -0.223 2.800) 7.466 4.424 ( 1.605 -5.253 -6.563) 8.558 4.488 ( 0.154 1.672 -3.412) 3.803 4.865 ( -5.383 -4.951 10.582) 12.863 4.944 ( -3.317 0.747 9.163) 9.774 5.123 ( 0.921 -1.795 -25.218) 25.299 5.286 ( -0.212 0.403 -10.499) 10.509 5.467 ( 3.600 3.277 7.719) 9.126 5.871 ( -4.764 -2.654 -2.708) 6.089 5.896 ( 1.778 -2.405 -5.578) 6.330 5.958 ( 1.162 1.221 5.124) 5.394 6.161 ( -0.487 0.357 5.784) 5.816 6.398 ( -1.261 -1.052 6.640) 6.840 6.937 ( 5.644 3.603 -7.117) 9.772 7.718 ( -4.217 -1.447 3.818) 5.870 7.862 ( -6.259 8.423 0.496) 10.505 7.974 ( 6.589 -8.424 3.759) 11.336 8.134 ( 12.982 -1.245 -4.784) 13.891 8.233 ( 5.031 7.355 -8.607) 12.389 8.759 ( -11.488 -14.895 1.222) 18.850 8.906 ( -5.466 -3.227 -2.188) 6.714 9.071 ( 9.151 -10.969 -0.799) 14.307 9.222 ( -5.260 16.646 -1.887) 17.559 9.370 ( 5.978 10.887 -7.532) 14.526 9.572 ( 13.398 0.657 -3.719) 13.920 10.021 ( -10.867 -3.904 4.855) 12.526 10.142 ( -1.912 -0.465 6.421) 6.715 10.719 ( -12.730 -3.272 -1.724) 13.256 10.868 ( -3.194 -0.897 -3.059) 4.513 10.923 ( -0.687 -3.939 -0.999) 4.121 11.030 ( 3.411 1.566 -5.914) 7.005 11.240 ( 0.953 0.045 -12.771) 12.807 11.442 ( -0.079 -1.114 -3.593) 3.763 11.734 ( 3.300 1.064 0.119) 3.469 11.759 ( -0.016 4.983 4.341) 6.609 12.028 ( 9.098 -3.979 9.626) 13.830 12.749 ( 3.939 1.993 -2.648) 5.148 13.164 ( 2.797 3.815 0.724) 4.786 13.400 ( 3.328 -0.940 2.574) 4.311 13.471 ( 2.427 6.596 -8.092) 10.718 14.101 ( -9.524 -6.325 -0.683) 11.453 14.213 ( 1.587 -4.883 -1.813) 5.445 14.351 ( -0.689 -1.364 0.178) 1.538 14.431 ( -6.501 -3.527 -2.705) 7.875 15.385 ( 5.461 -1.103 3.473) 6.565 15.843 ( -15.229 2.857 19.936) 25.249 15.939 ( -15.678 -8.415 1.230) 17.837 16.544 ( -22.924 -14.410 17.116) 32.033 16.784 ( 0.787 -3.432 -2.437) 4.282 17.162 ( 7.921 15.820 0.176) 17.693 17.353 ( -3.047 5.026 1.467) 6.058 17.597 ( 4.563 -7.839 -4.624) 10.181 17.865 ( 14.113 2.101 -1.113) 14.311 18.048 ( 26.460 13.554 -0.887) 29.742 18.580 ( 25.216 12.686 -19.299) 34.194 20.360 ( -34.020 -8.213 44.036) 56.249 20.874 ( -3.806 -6.025 -0.141) 7.127 21.063 ( -4.648 4.709 -1.273) 6.738 21.400 ( -5.725 -3.482 -2.604) 7.188 21.506 ( 2.758 -4.844 0.894) 5.645 22.949 ( -10.485 -6.092 -2.295) 12.341 ======================= Grid point 95 (40/125) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 14.260 18.092 7.870) 24.343 1.461 ( 22.138 12.881 9.209) 27.217 2.271 ( 19.863 4.402 15.868) 25.801 2.528 ( 9.246 8.916 0.831) 12.871 2.600 ( -1.162 2.277 -6.833) 7.295 2.793 ( 3.570 -0.573 -0.900) 3.726 2.940 ( -5.383 -3.598 1.102) 6.568 3.022 ( 1.692 -1.357 4.366) 4.875 3.157 ( 4.750 2.798 2.506) 6.056 3.339 ( -1.524 0.546 1.461) 2.181 3.582 ( 0.711 -1.828 0.448) 2.012 3.627 ( 0.411 -6.024 -3.970) 7.226 3.940 ( 1.212 6.529 -3.883) 7.692 4.194 ( -8.405 2.001 6.138) 10.599 4.244 ( 5.927 5.972 -4.059) 9.342 4.363 ( 1.629 -4.319 -6.201) 7.730 4.461 ( -1.319 -4.376 0.989) 4.677 4.711 ( -9.333 -4.743 5.770) 11.954 4.933 ( -2.629 3.340 5.384) 6.860 5.044 ( 1.914 -2.795 -14.698) 15.084 5.271 ( 4.197 1.435 -20.059) 20.544 5.581 ( 0.311 3.744 9.125) 9.868 5.677 ( -10.179 -5.865 -3.718) 12.322 5.907 ( 4.469 -0.803 -5.852) 7.406 6.015 ( 1.795 -0.370 4.785) 5.124 6.163 ( -2.452 -2.027 12.639) 13.033 6.406 ( 0.207 0.292 -0.226) 0.424 7.078 ( 7.620 5.720 -6.228) 11.383 7.701 ( 0.302 2.424 4.144) 4.810 7.799 ( -6.130 2.171 -0.191) 6.506 8.008 ( 2.735 -10.635 1.730) 11.117 8.265 ( 5.444 3.581 0.228) 6.520 8.339 ( 1.244 1.850 -5.947) 6.351 8.531 ( 3.187 -8.191 3.032) 9.298 8.741 ( -8.760 -0.900 -0.594) 8.826 9.113 ( 8.897 -10.103 -7.414) 15.369 9.316 ( -1.236 14.176 -3.093) 14.562 9.404 ( -4.556 -2.911 -2.768) 6.074 9.617 ( -7.057 -3.005 2.223) 7.986 9.868 ( -0.106 -2.443 1.707) 2.982 10.111 ( -6.621 3.520 6.444) 9.888 10.486 ( -8.869 -3.411 -4.452) 10.493 10.768 ( -7.381 0.879 -2.548) 7.858 10.847 ( -0.039 -6.938 -1.204) 7.042 11.120 ( 3.117 3.677 -8.320) 9.616 11.149 ( 2.511 -8.743 -3.431) 9.722 11.428 ( -1.108 3.547 2.469) 4.462 11.848 ( 7.301 0.970 0.770) 7.405 11.864 ( 1.311 9.347 3.946) 10.230 12.094 ( 3.471 -9.308 5.292) 11.256 12.834 ( 4.793 2.101 -4.245) 6.738 13.234 ( 1.206 -1.610 2.094) 2.904 13.407 ( -3.695 -0.486 -2.560) 4.521 13.533 ( 1.403 5.393 0.443) 5.590 13.878 ( -5.416 -4.440 -2.865) 7.566 14.114 ( -7.430 -4.576 2.126) 8.981 14.225 ( -8.143 -4.158 -0.738) 9.173 14.400 ( 7.068 -2.295 -7.023) 10.225 15.382 ( -3.286 -7.122 10.853) 13.391 15.555 ( -19.657 -3.053 2.140) 20.007 15.795 ( -6.014 -2.029 4.527) 7.796 16.318 ( -4.879 9.522 9.828) 14.528 16.801 ( 8.977 -9.837 -1.617) 13.415 17.372 ( -2.777 14.237 -13.461) 19.789 17.450 ( -2.404 12.361 11.931) 17.347 17.698 ( 22.975 -8.164 1.899) 24.456 18.191 ( 17.414 7.604 -3.757) 19.370 18.660 ( 26.901 13.953 -2.886) 30.441 18.932 ( 16.372 1.869 -8.680) 18.625 20.058 ( -20.162 5.278 32.210) 38.365 20.686 ( -9.507 -7.232 -1.781) 12.077 21.017 ( -5.178 0.391 3.641) 6.342 21.209 ( -9.386 -3.545 -6.617) 12.018 21.497 ( 2.362 -5.640 0.712) 6.156 22.615 ( -16.181 -9.372 -5.463) 19.481 ======================= Grid point 96 (41/125) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 13.615 16.400 4.071) 21.701 1.909 ( 11.993 8.486 1.036) 14.728 2.346 ( 2.164 -0.926 -8.315) 8.642 2.554 ( -1.601 -1.254 -0.717) 2.156 2.750 ( -2.874 -2.305 2.772) 4.611 2.911 ( 2.789 2.781 -4.032) 5.636 2.961 ( 6.865 5.133 13.652) 16.120 3.142 ( 8.022 4.015 4.649) 10.103 3.316 ( 7.355 -0.156 2.729) 7.847 3.374 ( 5.558 -3.310 -3.183) 7.210 3.534 ( -3.149 -3.471 -2.374) 5.254 3.691 ( 9.336 7.060 10.018) 15.407 3.945 ( -2.675 -3.949 -0.098) 4.770 4.117 ( -3.101 3.436 -1.049) 4.746 4.202 ( -5.654 -1.570 2.848) 6.522 4.345 ( -1.314 -2.599 -5.612) 6.323 4.485 ( 2.628 -3.487 2.509) 5.036 4.569 ( -3.727 7.793 -0.917) 8.687 4.914 ( -3.271 -3.458 -2.033) 5.176 5.042 ( 1.821 4.620 -0.963) 5.059 5.286 ( 6.763 -0.161 -22.233) 23.240 5.364 ( -13.730 -8.052 -6.081) 17.039 5.636 ( -1.209 1.909 5.487) 5.934 5.990 ( 5.080 2.157 -1.058) 5.619 6.037 ( -0.261 -2.329 4.440) 5.021 6.147 ( -1.495 -3.392 11.401) 11.988 6.395 ( -1.407 0.178 -2.021) 2.469 7.228 ( 4.376 4.911 -3.366) 7.388 7.706 ( -4.458 0.618 -1.451) 4.729 7.804 ( 5.162 1.966 6.019) 8.170 7.953 ( 3.797 -4.091 -0.033) 5.581 8.246 ( -5.019 -3.378 0.102) 6.050 8.428 ( 3.039 -2.609 -2.815) 4.896 8.512 ( -0.008 2.732 6.410) 6.968 8.751 ( 3.904 2.352 -2.329) 5.118 9.056 ( 0.925 -9.189 -14.014) 16.783 9.188 ( -12.611 -1.663 3.698) 13.247 9.413 ( 3.153 4.996 -7.018) 9.173 9.505 ( -1.271 -2.954 6.806) 7.528 9.883 ( 1.034 -1.472 2.081) 2.751 10.028 ( -10.447 5.664 2.693) 12.185 10.300 ( -5.603 -6.525 -2.536) 8.967 10.652 ( -6.546 5.674 -3.716) 9.426 10.772 ( -0.322 -5.757 -4.036) 7.038 11.006 ( -0.129 -11.020 2.636) 11.331 11.312 ( 9.459 4.682 -2.010) 10.744 11.481 ( 0.708 4.610 4.116) 6.221 11.947 ( 3.884 -2.987 -3.327) 5.922 11.991 ( 0.858 8.851 -4.233) 9.848 12.105 ( 5.078 -3.812 12.248) 13.796 12.843 ( -5.430 -3.932 -5.142) 8.449 13.138 ( -3.214 -3.229 0.495) 4.583 13.372 ( 0.272 2.038 -0.447) 2.104 13.581 ( 3.340 -3.358 -1.218) 4.890 13.794 ( -3.800 -3.626 -3.653) 6.398 13.949 ( -6.515 1.037 2.667) 7.116 14.095 ( -5.610 1.297 1.519) 5.955 14.466 ( 7.308 -3.012 -8.999) 11.977 15.240 ( -14.112 -0.045 16.776) 21.922 15.289 ( -8.426 -0.476 -3.762) 9.240 15.650 ( -2.959 -10.028 6.094) 12.102 16.473 ( 2.740 11.673 0.554) 12.003 16.861 ( 9.686 -9.551 -2.510) 13.832 17.354 ( -7.482 13.289 -13.723) 20.516 17.544 ( 2.691 -2.956 16.283) 16.766 18.161 ( 22.996 10.504 4.411) 25.664 18.542 ( 14.816 8.017 -4.942) 17.556 19.057 ( 9.275 0.365 -8.406) 12.523 19.273 ( 21.818 8.192 0.728) 23.316 19.985 ( -9.669 7.717 20.611) 24.039 20.396 ( -12.979 -8.553 -1.619) 15.628 20.872 ( -9.198 -7.472 3.335) 12.311 21.002 ( -8.427 -0.508 -4.060) 9.368 21.509 ( 4.193 -1.718 -0.323) 4.543 22.198 ( -16.682 -9.444 -6.883) 20.368 ======================= Grid point 97 (42/125) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 7.828 7.856 4.303) 11.896 2.043 ( 0.692 7.887 -5.258) 9.504 2.346 ( 0.875 -6.959 5.443) 8.878 2.516 ( 0.724 -2.008 -0.800) 2.280 2.778 ( 0.602 8.525 -1.786) 8.731 2.922 ( 0.019 -0.871 -3.625) 3.729 3.094 ( -0.315 -1.881 7.155) 7.405 3.314 ( 4.959 4.155 1.398) 6.619 3.349 ( 1.386 -2.158 -7.024) 7.478 3.448 ( 0.586 -2.945 0.183) 3.009 3.454 ( 4.822 0.096 2.306) 5.346 3.737 ( -9.710 -5.838 4.806) 12.307 3.907 ( 0.729 0.472 0.678) 1.102 4.117 ( -2.956 -1.973 -1.295) 3.783 4.282 ( 2.785 -6.315 -1.984) 7.182 4.328 ( 8.731 5.378 2.578) 10.573 4.441 ( 0.188 6.942 4.879) 8.487 4.669 ( -0.561 0.185 -0.695) 0.912 4.797 ( -2.813 2.907 3.127) 5.113 4.979 ( -12.207 -1.533 -3.772) 12.868 5.169 ( 3.394 -1.545 -6.366) 7.377 5.340 ( 8.409 1.672 -14.471) 16.820 5.644 ( -1.122 0.669 1.832) 2.250 5.977 ( -3.910 -4.467 6.595) 8.873 6.070 ( -1.398 3.271 -0.375) 3.577 6.177 ( 4.507 -2.224 6.767) 8.429 6.344 ( -2.600 -0.884 -2.451) 3.681 7.280 ( 0.196 1.057 0.224) 1.098 7.698 ( 1.872 1.922 -0.342) 2.705 7.909 ( 5.232 -1.979 3.352) 6.521 8.058 ( -5.478 2.839 3.145) 6.925 8.151 ( 5.746 1.718 0.530) 6.021 8.365 ( 3.012 -5.079 -2.048) 6.250 8.560 ( -14.169 -6.717 0.183) 15.681 8.660 ( -1.474 5.373 1.021) 5.664 8.984 ( 1.919 -3.789 -6.363) 7.651 9.143 ( 6.530 5.073 -7.038) 10.859 9.425 ( -2.928 -1.860 -2.773) 4.441 9.566 ( 6.762 -1.477 7.293) 10.054 9.879 ( -1.927 -0.624 2.218) 3.004 9.914 ( -7.505 3.942 1.742) 8.654 10.154 ( -2.232 -3.929 -2.740) 5.285 10.631 ( -3.639 10.139 -6.045) 12.353 10.694 ( -0.131 -4.592 -4.817) 6.656 10.950 ( 1.538 -7.892 10.540) 13.257 11.457 ( 3.773 0.030 -0.606) 3.822 11.602 ( 3.951 4.077 6.911) 8.944 11.913 ( -1.527 0.587 -9.404) 9.545 12.053 ( 2.729 0.633 -4.680) 5.455 12.217 ( 1.191 -0.341 10.953) 11.023 12.585 ( -8.254 -5.577 -3.650) 10.609 13.177 ( 5.090 2.040 -2.663) 6.096 13.394 ( -0.234 2.366 -0.217) 2.387 13.560 ( -3.190 -6.928 4.400) 8.805 13.671 ( 2.005 -2.439 -6.041) 6.816 13.937 ( 0.421 0.617 2.149) 2.275 14.032 ( -4.825 3.580 0.276) 6.014 14.500 ( 4.549 -5.599 -11.192) 13.316 15.132 ( -11.964 10.370 18.876) 24.637 15.164 ( -5.261 3.836 -5.772) 8.701 15.573 ( 2.197 -10.159 8.026) 13.132 16.578 ( 4.372 -2.323 -4.668) 6.805 16.920 ( 6.435 -5.554 0.276) 8.505 17.288 ( -8.499 12.198 -12.248) 19.263 17.621 ( 3.008 -4.623 15.751) 16.689 18.610 ( 9.579 9.890 0.621) 13.783 18.779 ( 6.559 4.369 -4.448) 9.050 19.109 ( 3.380 -1.915 -2.660) 4.708 19.623 ( 8.495 1.860 -0.663) 8.722 19.965 ( -7.317 0.915 8.135) 10.980 20.155 ( -3.117 -1.802 0.378) 3.620 20.668 ( -6.998 -2.261 -1.917) 7.600 20.867 ( -2.557 -4.749 5.168) 7.469 21.616 ( 6.099 3.423 -2.438) 7.407 21.840 ( -10.289 -5.539 -4.791) 12.629 ======================= Grid point 98 (43/125) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -9.894 -6.479 -0.408) 11.833 2.244 ( 3.690 3.544 4.261) 6.658 2.285 ( -0.860 0.669 7.838) 7.914 2.558 ( 2.716 1.589 1.526) 3.497 2.819 ( -1.269 0.252 -3.937) 4.144 2.860 ( -5.817 -7.138 -2.094) 9.443 2.915 ( -7.074 -0.343 -5.923) 9.233 3.338 ( -0.299 0.479 -6.573) 6.598 3.405 ( -1.943 0.087 8.271) 8.496 3.434 ( -5.000 -3.756 0.771) 6.301 3.546 ( 1.935 1.492 4.747) 5.339 3.660 ( 7.643 4.110 -1.021) 8.738 3.852 ( -8.683 -5.477 -2.097) 10.478 4.010 ( -0.279 -5.094 -6.523) 8.281 4.237 ( -2.882 -6.834 -1.870) 7.649 4.285 ( 0.999 -0.682 -1.808) 2.175 4.508 ( -0.270 3.790 7.254) 8.188 4.698 ( -6.278 -2.488 -3.828) 7.763 4.886 ( 5.737 7.995 10.424) 14.335 5.034 ( 12.423 9.318 0.249) 15.531 5.153 ( 1.062 -2.155 -7.275) 7.662 5.496 ( 9.064 5.123 -6.272) 12.155 5.610 ( -2.253 -2.960 1.280) 3.934 5.893 ( -4.223 -1.593 4.352) 6.270 6.034 ( -3.468 1.072 -3.437) 4.999 6.201 ( -3.770 -3.892 6.749) 8.655 6.334 ( 4.164 0.725 -2.435) 4.878 7.315 ( 2.819 0.223 2.682) 3.897 7.753 ( 2.059 -0.567 3.725) 4.294 7.854 ( -10.567 -0.287 -0.105) 10.572 8.028 ( 2.709 -3.499 0.765) 4.490 8.169 ( -6.164 -0.845 2.326) 6.642 8.379 ( -3.299 6.836 -2.411) 7.964 8.516 ( -0.112 -4.329 -4.123) 5.979 8.576 ( 12.703 1.214 -1.680) 12.871 9.133 ( 5.258 10.959 4.643) 13.011 9.178 ( -0.491 -5.808 -9.270) 10.950 9.337 ( -0.918 -0.478 0.067) 1.038 9.639 ( -0.045 -7.314 1.584) 7.484 9.855 ( -2.649 5.975 4.485) 7.926 9.918 ( 6.687 -2.241 2.144) 7.371 10.155 ( 2.097 6.105 -3.684) 7.432 10.616 ( -2.359 3.043 -6.829) 7.840 10.687 ( 1.713 2.724 -1.188) 3.430 10.983 ( 2.407 -1.686 10.818) 11.210 11.475 ( -0.676 -0.995 -0.636) 1.361 11.605 ( -5.244 -6.694 8.222) 11.829 11.829 ( -4.439 1.626 -14.230) 14.995 12.062 ( 3.331 -4.141 -3.553) 6.393 12.198 ( -5.647 -1.738 7.199) 9.314 12.612 ( 11.056 7.420 -1.688) 13.421 13.204 ( -3.274 -2.226 -1.450) 4.216 13.422 ( 0.800 -3.634 2.334) 4.393 13.509 ( 2.984 5.676 0.375) 6.423 13.732 ( 6.281 0.706 -2.721) 6.882 13.931 ( -4.483 3.061 3.244) 6.324 14.050 ( 5.333 -3.695 1.859) 6.749 14.405 ( 0.986 -7.173 -15.580) 17.180 15.115 ( -7.420 13.608 -1.494) 15.571 15.209 ( -2.933 12.209 14.554) 19.222 15.582 ( 5.473 -7.815 8.065) 12.493 16.537 ( 3.711 -15.051 -6.990) 17.005 16.966 ( 0.511 -0.576 3.268) 3.357 17.213 ( -4.790 7.220 -11.547) 14.436 17.685 ( 1.504 -2.790 13.530) 13.896 18.516 ( -18.693 -3.280 -4.978) 19.620 18.802 ( -2.952 -5.223 -1.922) 6.300 19.186 ( 3.128 3.736 1.254) 5.032 19.617 ( -6.657 -3.463 -3.733) 8.381 19.779 ( -10.260 -8.470 -0.905) 13.336 20.258 ( 6.645 6.940 7.478) 12.176 20.621 ( 3.574 3.012 -3.682) 5.949 20.925 ( 9.267 -1.817 6.574) 11.506 21.543 ( -6.618 -1.114 -6.442) 9.303 21.931 ( 13.112 7.915 0.641) 15.329 ======================= Grid point 99 (44/125) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -17.839 -9.303 0.347) 20.122 2.003 ( -19.156 -15.864 6.491) 25.705 2.384 ( -6.425 -0.617 -2.102) 6.788 2.585 ( -2.206 2.847 0.231) 3.609 2.744 ( -2.267 -1.444 3.605) 4.497 2.766 ( 5.656 0.086 3.822) 6.827 2.886 ( -0.094 2.364 -7.700) 8.055 3.169 ( -12.141 -8.534 4.314) 15.454 3.203 ( -9.682 -3.272 -6.137) 11.922 3.425 ( -5.867 -4.880 3.433) 8.368 3.540 ( -0.535 -0.294 -4.577) 4.618 3.626 ( 0.408 1.751 3.443) 3.885 3.920 ( 8.921 8.090 -1.539) 12.141 4.032 ( 7.902 -4.202 -6.406) 11.007 4.141 ( -1.388 -4.291 -0.068) 4.511 4.347 ( 1.927 3.552 -0.208) 4.046 4.572 ( -0.723 -3.255 -1.804) 3.791 4.627 ( 2.131 6.966 8.201) 10.969 4.929 ( -4.931 -3.316 -0.465) 5.960 5.184 ( 3.268 5.309 2.989) 6.913 5.338 ( 8.039 3.568 -4.677) 9.961 5.540 ( 3.341 -0.697 -1.071) 3.578 5.706 ( 8.300 5.293 -2.117) 10.069 5.801 ( -5.804 -3.328 0.210) 6.693 5.972 ( -4.144 2.599 -0.424) 4.910 6.108 ( -3.169 -5.437 5.738) 8.516 6.400 ( 2.391 0.688 -1.463) 2.886 7.348 ( -2.268 -3.429 4.764) 6.293 7.652 ( -6.680 -0.248 -2.079) 7.001 7.832 ( 5.910 -4.552 5.214) 9.101 7.958 ( -6.928 4.877 1.186) 8.555 8.180 ( 2.056 4.016 -6.709) 8.085 8.322 ( -0.032 -5.581 -2.797) 6.243 8.519 ( 2.746 7.025 1.302) 7.654 8.834 ( 0.663 -5.912 3.750) 7.033 9.056 ( 8.999 2.713 -6.020) 11.161 9.289 ( -3.602 -0.434 1.702) 4.007 9.444 ( 10.249 10.546 -0.171) 14.707 9.504 ( -3.087 -7.715 -2.321) 8.628 9.904 ( -0.578 3.633 1.346) 3.917 10.006 ( 1.440 -0.546 3.561) 3.879 10.329 ( 10.983 6.596 -1.071) 12.856 10.622 ( 1.718 4.371 -1.780) 5.022 10.746 ( 2.837 1.974 -2.330) 4.168 11.071 ( 1.388 4.478 5.579) 7.288 11.373 ( -4.952 -5.907 -0.068) 7.708 11.516 ( -1.462 -5.038 8.136) 9.681 11.685 ( -3.487 -2.391 -15.058) 15.641 12.065 ( -5.989 -1.457 1.669) 6.385 12.088 ( -0.042 -1.577 1.947) 2.506 12.947 ( 12.852 6.663 2.117) 14.630 13.078 ( -3.909 -1.569 -4.153) 5.915 13.403 ( 0.484 -0.200 2.439) 2.494 13.629 ( 0.223 0.636 1.790) 1.913 13.823 ( 4.651 -3.925 -5.101) 7.941 13.953 ( 1.916 6.940 6.470) 9.679 14.070 ( 1.999 0.610 -0.211) 2.101 14.382 ( 9.618 -5.434 -14.544) 18.263 15.182 ( -1.824 17.923 1.282) 18.061 15.346 ( -2.626 12.194 12.665) 17.776 15.677 ( 8.327 -3.358 7.136) 11.469 16.341 ( -1.992 -20.915 -7.935) 22.458 16.925 ( -8.544 5.844 1.758) 10.500 17.198 ( 6.435 -6.190 -8.437) 12.284 17.718 ( -2.127 0.545 7.970) 8.267 18.066 ( -23.829 -4.623 1.894) 24.348 18.578 ( -10.851 -11.975 -1.515) 16.231 19.248 ( -21.775 -10.233 -4.596) 24.495 19.290 ( 0.591 7.090 5.677) 9.102 19.495 ( -8.536 -11.781 -7.294) 16.275 20.535 ( 9.595 9.123 8.413) 15.687 20.762 ( 8.629 3.463 -4.179) 10.194 21.134 ( 12.037 -0.285 3.265) 12.475 21.452 ( -2.783 2.932 -3.314) 5.227 22.293 ( 16.957 10.037 -0.533) 19.712 ======================= Grid point 100 (45/125) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -22.496 -9.554 1.518) 24.488 1.422 ( -28.348 -17.027 2.464) 33.160 1.895 ( -31.896 -20.211 7.326) 38.464 2.651 ( 4.243 2.041 2.450) 5.308 2.736 ( -2.997 1.001 -1.604) 3.544 2.824 ( -3.778 -3.522 -4.464) 6.827 2.877 ( 0.312 1.551 -0.517) 1.665 2.976 ( -3.464 -4.010 1.880) 5.623 3.108 ( 3.322 5.464 3.002) 7.064 3.342 ( 3.584 -5.096 1.710) 6.460 3.548 ( -1.407 3.667 -3.770) 5.444 3.670 ( 1.554 1.300 -1.670) 2.625 4.015 ( -1.383 -8.076 3.567) 8.937 4.080 ( -0.757 2.612 -7.787) 8.249 4.151 ( 5.274 6.149 -2.217) 8.399 4.395 ( 1.298 2.569 0.952) 3.031 4.621 ( 7.668 -2.443 4.940) 9.443 4.753 ( -5.951 -5.636 -7.549) 11.143 4.771 ( 0.610 7.563 10.069) 12.608 5.296 ( 2.682 2.804 -4.718) 6.109 5.350 ( -0.051 -1.294 5.230) 5.388 5.587 ( -4.284 -2.654 -19.941) 20.568 5.737 ( 6.138 4.148 2.870) 7.945 5.877 ( 4.142 2.285 -1.161) 4.871 5.942 ( -1.364 0.718 10.659) 10.770 6.042 ( -1.661 -3.700 4.656) 6.175 6.410 ( -0.475 -0.253 -2.156) 2.222 7.187 ( -9.198 -5.227 -0.295) 10.583 7.629 ( 0.643 2.025 3.085) 3.746 7.874 ( 0.403 -3.935 -2.828) 4.863 7.919 ( 0.765 1.615 2.721) 3.255 8.290 ( -3.071 3.183 -1.055) 4.546 8.340 ( 10.021 8.636 -2.860) 13.535 8.509 ( -3.803 -10.057 1.396) 10.843 8.807 ( 5.931 1.785 2.872) 6.827 9.167 ( -7.101 2.723 2.161) 7.906 9.257 ( 5.671 -9.280 -10.543) 15.147 9.453 ( 3.629 4.439 -2.674) 6.327 9.699 ( 6.044 7.636 -1.773) 9.899 9.918 ( 2.368 -0.090 -1.376) 2.740 10.014 ( -2.609 2.481 6.519) 7.447 10.583 ( 9.736 3.230 4.596) 11.240 10.743 ( 6.377 4.847 -1.489) 8.147 10.812 ( 3.646 3.182 -2.848) 5.615 11.115 ( -2.868 2.759 -2.375) 4.634 11.294 ( 1.537 -1.066 -1.834) 2.619 11.477 ( -2.125 -2.265 7.620) 8.229 11.588 ( 3.438 -5.778 -7.717) 10.235 11.902 ( -10.246 0.066 1.516) 10.358 12.113 ( 0.904 -2.150 1.535) 2.792 12.901 ( -5.889 -3.379 -0.724) 6.828 13.201 ( 4.716 0.403 -0.136) 4.735 13.430 ( -6.846 0.920 1.036) 6.985 13.613 ( 5.320 0.944 2.779) 6.076 13.814 ( 6.039 -0.938 -9.031) 10.904 14.144 ( 6.822 7.175 5.108) 11.140 14.224 ( 8.824 5.339 -0.784) 10.343 14.389 ( 3.648 -7.249 -10.706) 13.434 15.370 ( -8.469 19.949 19.270) 29.001 15.528 ( 11.736 8.906 0.202) 14.735 15.811 ( 2.859 -7.808 5.739) 10.103 16.058 ( 0.472 -9.030 -6.889) 11.368 16.852 ( -5.763 4.292 2.047) 7.472 17.192 ( 7.355 -13.159 -8.403) 17.258 17.606 ( -22.783 13.400 -3.957) 26.726 17.764 ( -1.740 -11.302 13.985) 18.064 18.217 ( -13.071 -14.877 -1.150) 19.837 18.656 ( -28.010 -13.871 -3.591) 31.462 19.190 ( -7.581 -12.801 -13.428) 20.041 19.472 ( 3.167 12.969 17.315) 21.864 20.775 ( 6.909 3.770 4.528) 9.080 20.923 ( 6.345 5.226 -3.476) 8.925 21.328 ( 9.159 -0.064 -0.024) 9.159 21.457 ( -0.024 3.061 0.235) 3.070 22.678 ( 15.674 9.092 -1.794) 18.209 ======================= Grid point 103 (46/125) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 11.103 12.820 21.745) 27.577 0.983 ( -4.438 23.240 22.629) 32.739 1.652 ( -2.782 29.136 46.123) 54.626 2.467 ( -1.032 3.593 -15.828) 16.263 2.505 ( 2.551 3.924 -14.061) 14.819 2.855 ( -0.704 -3.199 5.291) 6.223 2.953 ( 0.007 0.653 3.898) 3.953 2.987 ( -0.157 0.045 3.815) 3.818 3.266 ( -0.366 -4.760 -0.709) 4.827 3.444 ( 7.017 -2.797 -3.308) 8.247 3.543 ( -9.110 -8.032 -0.123) 12.145 3.605 ( -2.884 2.163 -4.059) 5.429 3.885 ( 6.661 2.953 -1.720) 7.486 3.979 ( -0.380 8.153 -1.450) 8.290 4.296 ( 2.199 -6.705 -0.577) 7.080 4.450 ( -1.782 -0.467 1.253) 2.228 4.472 ( -1.470 3.852 -4.037) 5.770 4.886 ( -0.188 -6.738 4.883) 8.324 5.013 ( 1.238 -1.323 12.122) 12.257 5.031 ( -2.222 4.285 -29.089) 29.487 5.235 ( 0.620 -4.697 -6.252) 7.845 5.481 ( 0.927 3.699 7.535) 8.445 5.816 ( -0.259 -6.274 -7.698) 9.934 5.921 ( -2.461 -0.161 2.766) 3.706 5.985 ( 0.503 3.941 -0.247) 3.981 6.164 ( 0.536 2.575 0.247) 2.642 6.431 ( -0.453 -5.072 11.050) 12.167 6.913 ( 0.334 7.833 -7.292) 10.707 7.801 ( -0.217 -2.832 8.975) 9.414 7.822 ( 10.044 -1.868 -2.271) 10.466 7.966 ( -10.325 0.253 -1.294) 10.408 8.131 ( -4.405 12.783 -2.881) 13.824 8.200 ( 1.560 8.156 -6.977) 10.846 8.769 ( -8.952 -16.142 -0.275) 18.460 8.890 ( 0.283 -6.189 -1.633) 6.407 9.050 ( -12.629 -0.244 -0.915) 12.665 9.184 ( 19.564 0.949 4.173) 20.026 9.348 ( 3.534 8.303 -5.037) 10.334 9.583 ( -5.347 11.951 -0.840) 13.119 10.069 ( 3.603 -8.622 4.535) 10.387 10.163 ( -1.114 -1.368 6.833) 7.057 10.771 ( 7.218 -10.374 -7.183) 14.537 10.839 ( -2.139 -1.651 -3.214) 4.199 10.875 ( -2.773 -5.851 -3.998) 7.610 10.997 ( -1.266 3.080 -4.017) 5.218 11.173 ( -0.338 -0.081 -11.401) 11.406 11.446 ( -0.029 6.835 -5.950) 9.062 11.694 ( -0.312 -4.370 4.802) 6.500 11.751 ( 0.201 3.206 1.622) 3.598 12.121 ( -4.670 7.008 11.470) 14.230 12.746 ( -0.335 4.444 -2.297) 5.014 13.183 ( 2.290 6.985 -1.372) 7.478 13.335 ( -1.436 -1.458 2.359) 3.123 13.513 ( 2.463 7.749 -1.514) 8.271 14.055 ( -1.543 -15.882 0.730) 15.973 14.219 ( -4.235 -0.674 -1.627) 4.587 14.341 ( 0.168 -3.941 0.864) 4.038 14.418 ( 0.238 -7.177 -3.552) 8.012 15.434 ( -1.796 11.921 -1.655) 12.169 15.920 ( 5.913 -12.503 10.966) 17.650 15.985 ( 1.692 -14.609 2.180) 14.867 16.478 ( -2.470 -26.993 16.790) 31.885 16.851 ( 2.598 0.772 0.084) 2.711 17.090 ( -0.767 -4.118 -0.855) 4.275 17.367 ( 12.008 6.006 -0.180) 13.428 17.720 ( -8.896 7.244 -0.971) 11.513 17.878 ( -8.757 12.718 -0.495) 15.449 17.959 ( 1.595 28.209 -4.248) 28.571 18.513 ( -0.462 30.194 -13.666) 33.146 20.489 ( 9.358 -35.208 35.383) 50.786 20.925 ( -6.189 -3.712 2.565) 7.659 21.001 ( 8.655 -4.303 -2.870) 10.083 21.415 ( 0.114 -5.078 -2.042) 5.474 21.510 ( -5.387 -0.183 -0.233) 5.395 22.940 ( -0.041 -13.166 -1.894) 13.302 ======================= Grid point 104 (47/125) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 9.402 17.780 14.718) 24.923 1.318 ( 10.600 22.735 11.995) 27.805 2.151 ( 9.570 11.625 15.855) 21.866 2.516 ( 5.432 14.320 2.837) 15.576 2.570 ( 5.340 6.528 -11.747) 14.461 2.799 ( -3.862 -1.890 6.703) 7.964 2.992 ( -1.122 -3.217 1.543) 3.739 3.002 ( 1.595 2.273 3.628) 4.569 3.181 ( -3.914 1.450 0.867) 4.263 3.329 ( -2.959 -10.331 0.164) 10.748 3.533 ( 4.356 -0.327 -3.874) 5.839 3.592 ( -0.533 3.241 2.304) 4.012 3.935 ( 1.333 1.113 -5.922) 6.171 4.137 ( 7.063 2.934 -2.085) 7.927 4.252 ( 1.054 -5.367 -2.196) 5.894 4.410 ( -2.518 -0.905 4.044) 4.849 4.428 ( -4.015 0.061 -3.704) 5.463 4.820 ( -3.218 -6.234 8.636) 11.127 4.916 ( -1.366 4.929 -27.416) 27.889 5.034 ( -1.617 -0.347 8.038) 8.206 5.181 ( 0.628 -1.046 -11.222) 11.288 5.609 ( 4.041 1.863 9.794) 10.758 5.719 ( 0.019 -6.401 -5.808) 8.643 5.831 ( -5.495 -0.315 -4.294) 6.981 6.031 ( 0.614 0.975 3.313) 3.508 6.212 ( 0.388 1.518 4.208) 4.490 6.406 ( -0.726 -2.978 5.163) 6.004 7.030 ( 4.656 11.228 -6.323) 13.701 7.776 ( -5.202 -0.286 6.836) 8.595 7.835 ( 2.160 -4.287 2.307) 5.326 7.968 ( 0.234 2.643 -7.008) 7.494 8.166 ( 0.683 5.631 0.786) 5.726 8.279 ( 4.400 2.718 -6.505) 8.311 8.501 ( -4.503 -11.645 1.881) 12.627 8.815 ( -2.690 -3.352 -2.237) 4.845 8.933 ( -0.890 -1.770 3.279) 3.831 9.352 ( -0.465 -3.941 -6.881) 7.943 9.453 ( 3.596 2.144 1.731) 4.530 9.608 ( 1.603 1.900 0.065) 2.487 9.964 ( -8.261 -3.744 6.035) 10.894 10.207 ( 2.168 2.322 4.608) 5.596 10.579 ( -8.092 -9.091 -6.993) 14.036 10.787 ( 0.775 -5.352 -5.242) 7.531 10.815 ( -2.329 -1.510 0.260) 2.788 11.047 ( 5.063 5.147 -5.915) 9.333 11.075 ( -3.540 -4.180 -9.122) 10.641 11.496 ( -0.755 5.025 1.703) 5.359 11.715 ( 5.674 -5.811 5.501) 9.809 11.842 ( 4.982 5.035 -5.308) 8.851 12.109 ( -5.645 0.937 12.903) 14.115 12.791 ( 1.806 4.503 -3.984) 6.278 13.215 ( -0.302 -1.637 2.159) 2.726 13.445 ( 4.571 7.788 -3.350) 9.631 13.603 ( -0.536 6.295 1.840) 6.580 13.821 ( -4.062 -17.931 -0.599) 18.395 14.133 ( -0.587 -2.471 -0.892) 2.692 14.275 ( -4.030 -7.391 -1.756) 8.599 14.291 ( -2.166 -5.977 -0.306) 6.365 15.475 ( -4.559 2.421 0.010) 5.162 15.779 ( -9.853 -5.985 5.849) 12.927 15.851 ( -3.703 -9.035 2.322) 10.036 16.449 ( 10.195 -9.580 16.416) 21.569 16.691 ( -15.285 2.571 -4.522) 16.146 17.204 ( 18.246 -6.791 3.078) 19.710 17.656 ( -4.602 19.923 -6.675) 21.509 17.726 ( -3.055 18.929 1.289) 19.217 17.904 ( 14.289 5.133 -1.042) 15.219 18.456 ( 18.545 24.128 -2.402) 30.526 18.751 ( 5.061 12.935 -6.563) 15.362 20.404 ( -3.863 -15.473 30.064) 34.032 20.771 ( -8.243 -5.343 2.598) 10.161 21.068 ( 3.744 -1.848 -2.416) 4.824 21.257 ( -7.411 -8.015 -3.723) 11.534 21.417 ( -2.705 -3.549 -0.862) 4.545 22.690 ( -9.103 -16.100 -4.777) 19.102 ======================= Grid point 105 (48/125) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 7.398 17.878 9.049) 21.360 1.795 ( 14.071 16.143 2.568) 21.568 2.258 ( 3.221 2.164 -13.369) 13.921 2.591 ( -1.635 1.456 -1.257) 2.525 2.745 ( -0.105 -1.735 1.151) 2.085 2.923 ( -2.921 0.667 3.888) 4.908 3.031 ( 11.858 16.145 21.321) 29.255 3.074 ( 1.686 2.707 2.725) 4.194 3.203 ( 3.955 -1.561 -4.306) 6.051 3.236 ( 2.617 -3.728 1.025) 4.669 3.548 ( -1.086 -0.312 0.010) 1.130 3.699 ( 4.305 8.428 8.481) 12.708 3.925 ( 0.406 -2.423 -2.284) 3.354 4.131 ( -0.724 -7.414 -1.521) 7.603 4.244 ( -0.956 0.265 -7.512) 7.577 4.303 ( -3.426 -7.554 -4.152) 9.276 4.425 ( 2.768 -0.454 5.728) 6.378 4.753 ( -4.691 3.332 7.091) 9.132 4.865 ( 0.695 2.403 -17.973) 18.146 5.055 ( 1.203 1.957 2.519) 3.410 5.137 ( 1.100 0.650 -15.276) 15.330 5.540 ( -12.041 -4.384 -1.031) 12.855 5.651 ( -0.906 -1.701 -3.110) 3.659 5.856 ( 7.863 -0.848 4.012) 8.868 6.052 ( 0.276 -0.181 2.301) 2.325 6.223 ( -2.954 -0.569 9.608) 10.067 6.394 ( 0.140 -0.409 -1.858) 1.908 7.221 ( 4.979 12.853 -4.454) 14.486 7.752 ( 0.851 -2.063 5.725) 6.145 7.809 ( -3.178 -8.269 -0.444) 8.870 7.907 ( -3.338 8.649 -0.654) 9.294 8.217 ( 3.452 -4.325 1.299) 5.684 8.338 ( 2.490 -2.722 -6.846) 7.777 8.468 ( 4.933 0.323 3.543) 6.082 8.766 ( 0.518 1.910 0.330) 2.006 8.903 ( -1.461 -6.357 -4.159) 7.736 9.257 ( 2.859 -9.944 -6.133) 12.028 9.375 ( -9.041 -2.055 5.149) 10.606 9.626 ( -2.860 -1.602 1.717) 3.700 9.897 ( -1.560 5.200 3.426) 6.420 10.242 ( -6.259 2.026 0.226) 6.583 10.353 ( -5.465 -3.364 -4.721) 7.966 10.650 ( -2.134 -8.257 -1.171) 8.608 10.825 ( -0.827 4.141 -1.993) 4.669 10.938 ( -3.247 -3.514 -2.748) 5.518 11.201 ( 8.045 5.894 -5.132) 11.216 11.535 ( -0.902 3.088 5.645) 6.497 11.779 ( 6.894 -8.799 2.286) 11.409 11.905 ( 4.210 -2.562 -6.396) 8.075 12.146 ( 0.598 6.575 11.205) 13.005 12.846 ( 1.056 2.874 -5.299) 6.120 13.198 ( -2.780 -2.241 1.848) 4.021 13.412 ( -7.605 -4.942 1.371) 9.173 13.538 ( -2.791 -2.305 -2.881) 4.626 13.757 ( 2.789 -3.764 -1.009) 4.792 14.092 ( -6.816 -0.790 1.247) 6.974 14.152 ( 1.963 -0.767 -0.610) 2.194 14.233 ( 3.967 -6.290 -5.970) 9.536 15.343 ( -5.000 -7.431 -0.236) 8.960 15.629 ( -12.065 4.230 17.027) 21.292 15.678 ( -8.595 -5.091 4.502) 10.957 16.464 ( 2.755 -11.047 -13.109) 17.363 16.699 ( 3.701 13.166 4.015) 14.253 17.420 ( 11.434 -7.620 10.624) 17.369 17.635 ( -11.338 18.129 -9.647) 23.458 18.053 ( 13.609 18.883 8.353) 24.730 18.295 ( 18.703 9.322 -3.399) 21.172 18.891 ( 5.506 2.142 -5.375) 7.988 19.003 ( 20.185 17.970 -2.519) 27.142 20.311 ( -8.705 -2.221 20.634) 22.505 20.545 ( -11.868 -7.043 3.607) 14.264 20.958 ( -10.344 -9.952 2.756) 14.617 21.102 ( -3.682 1.170 -9.575) 10.325 21.359 ( 4.854 -7.710 0.269) 9.115 22.305 ( -12.908 -15.546 -6.779) 21.313 ======================= Grid point 106 (49/125) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 7.048 7.781 2.652) 10.828 2.087 ( 4.319 13.884 -3.490) 14.953 2.300 ( 2.649 1.102 -2.376) 3.725 2.547 ( -4.376 1.957 5.055) 6.966 2.800 ( 4.472 2.937 -1.004) 5.444 2.894 ( -0.345 -3.274 -0.205) 3.298 3.112 ( -0.988 1.542 2.254) 2.904 3.214 ( 6.703 -4.034 -2.812) 8.314 3.300 ( 4.573 6.048 1.344) 7.700 3.388 ( 4.580 5.808 4.888) 8.866 3.478 ( -5.883 -1.558 1.368) 6.238 3.853 ( -6.579 -5.068 5.551) 9.989 3.882 ( 2.319 0.466 2.778) 3.648 4.126 ( 0.913 -7.212 -2.470) 7.678 4.156 ( -1.870 -7.763 -4.345) 9.091 4.203 ( 9.034 5.890 1.461) 10.883 4.502 ( 3.457 1.752 7.632) 8.560 4.767 ( -6.340 7.437 -5.598) 11.263 4.814 ( 0.527 -3.262 1.252) 3.533 5.081 ( 0.775 -1.018 -9.010) 9.100 5.168 ( 6.836 4.386 -13.102) 15.416 5.255 ( -15.228 3.159 1.405) 15.615 5.624 ( 1.844 -3.267 -2.770) 4.663 5.953 ( 2.394 -4.809 3.026) 6.165 6.101 ( 4.360 2.205 4.417) 6.587 6.184 ( -4.733 -0.293 7.348) 8.745 6.366 ( -2.069 -0.592 -3.113) 3.784 7.358 ( -2.623 9.127 -1.052) 9.554 7.703 ( -0.162 0.619 -0.692) 0.943 7.812 ( 4.611 -0.417 3.683) 5.916 8.007 ( 7.914 1.350 2.119) 8.303 8.241 ( -0.005 -1.069 3.150) 3.327 8.244 ( -5.093 -4.728 -1.029) 7.025 8.581 ( 3.901 -1.929 -1.348) 4.556 8.747 ( 2.443 -8.304 -6.309) 10.711 8.790 ( -3.210 -5.404 -1.470) 6.456 9.142 ( -0.083 -3.720 -0.925) 3.834 9.383 ( 2.934 6.454 0.317) 7.097 9.542 ( -3.679 -3.519 3.807) 6.357 9.926 ( -3.532 0.835 -1.693) 4.005 10.068 ( -4.131 -7.041 -1.496) 8.300 10.243 ( -9.499 8.729 0.190) 12.902 10.607 ( 3.379 -3.826 -4.366) 6.717 10.814 ( -6.315 9.728 -4.357) 12.390 10.910 ( 1.305 -1.793 8.387) 8.675 11.356 ( 6.338 1.122 -3.376) 7.268 11.611 ( 3.206 3.567 8.679) 9.916 11.797 ( 6.147 -7.543 -4.765) 10.835 11.922 ( 4.021 -6.007 -3.496) 8.030 12.277 ( 0.736 4.706 7.489) 8.876 12.738 ( -12.534 -0.444 -4.032) 13.175 13.110 ( 1.716 -0.038 -2.579) 3.098 13.393 ( 3.726 -1.553 0.602) 4.081 13.446 ( 0.349 -8.320 0.405) 8.337 13.668 ( -4.586 -5.695 0.576) 7.334 13.999 ( -4.433 1.700 -0.324) 4.759 14.143 ( -3.764 1.921 -4.676) 6.303 14.300 ( 8.413 -1.706 -5.261) 10.068 15.208 ( -0.993 -8.630 0.693) 8.715 15.513 ( -10.235 0.733 15.012) 18.183 15.598 ( -7.918 9.973 12.700) 17.985 16.368 ( 5.538 -12.505 -13.711) 19.366 16.858 ( 1.424 9.471 -6.977) 11.849 17.566 ( -11.658 15.247 -7.520) 20.614 17.576 ( 6.383 -3.539 17.805) 19.243 18.519 ( 19.455 4.491 1.232) 20.005 18.668 ( 9.141 17.168 1.411) 19.501 18.941 ( 5.419 -5.706 -6.074) 9.941 19.456 ( 14.864 10.687 -2.647) 18.498 20.210 ( -11.557 2.726 8.238) 14.452 20.281 ( -10.997 -4.708 4.862) 12.913 20.718 ( -5.469 -8.919 4.608) 11.433 20.942 ( -9.386 -1.929 -5.027) 10.821 21.454 ( 11.236 -3.200 -1.330) 11.759 21.920 ( -11.075 -11.957 -6.059) 17.388 ======================= Grid point 107 (50/125) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -2.390 1.036 -2.526) 3.629 2.273 ( -0.146 7.412 2.629) 7.866 2.314 ( 1.106 0.286 8.876) 8.950 2.578 ( 0.301 6.730 3.994) 7.831 2.781 ( -1.939 -8.613 2.714) 9.236 2.892 ( 0.609 2.859 -9.938) 10.359 3.043 ( -9.176 -2.794 -2.298) 9.864 3.272 ( 3.105 -0.401 -4.017) 5.093 3.414 ( 1.122 -0.970 1.381) 2.027 3.450 ( 3.975 6.147 1.075) 7.399 3.526 ( 5.985 4.631 3.070) 8.166 3.684 ( -9.143 -2.264 5.452) 10.883 3.890 ( 0.291 -1.826 -0.576) 1.937 3.984 ( -6.112 -8.401 -6.084) 12.040 4.074 ( 5.850 -7.911 -4.208) 10.701 4.375 ( -3.606 -1.355 0.483) 3.882 4.529 ( -4.752 -0.750 3.237) 5.798 4.748 ( -3.079 -5.300 -2.677) 6.689 4.831 ( 12.204 8.491 11.639) 18.882 5.073 ( 2.971 0.985 -8.986) 9.515 5.146 ( -6.894 13.717 1.329) 15.409 5.342 ( 9.855 4.760 -9.094) 14.230 5.607 ( -0.101 -3.866 2.193) 4.445 5.907 ( -0.461 -5.738 -1.114) 5.864 6.125 ( -4.973 1.863 2.430) 5.840 6.238 ( 4.498 1.554 6.210) 7.824 6.279 ( -3.882 -2.414 -3.202) 5.582 7.360 ( -3.182 6.106 1.372) 7.021 7.744 ( 0.755 1.044 1.594) 2.049 7.921 ( 5.796 -0.451 3.157) 6.616 8.072 ( -13.043 -2.174 3.468) 13.670 8.176 ( 0.829 -2.721 -1.266) 3.114 8.257 ( 16.802 0.272 1.232) 16.850 8.518 ( -9.405 -11.745 -5.376) 15.979 8.574 ( -3.260 4.703 0.726) 5.768 8.874 ( 16.597 -5.831 -7.171) 18.997 9.182 ( 0.916 0.105 1.860) 2.076 9.410 ( -4.322 4.192 -1.607) 6.232 9.520 ( 0.212 -3.866 -4.963) 6.295 9.801 ( 2.031 -5.861 4.461) 7.640 10.038 ( 0.091 1.226 3.560) 3.766 10.237 ( -5.016 13.393 -0.525) 14.311 10.604 ( 1.173 -0.623 -5.242) 5.408 10.771 ( -5.258 4.438 -1.148) 6.976 10.999 ( 2.199 5.456 7.884) 9.836 11.423 ( 3.825 -2.497 0.827) 4.642 11.684 ( -5.420 -2.516 5.827) 8.346 11.800 ( 3.348 -2.420 -10.498) 11.282 11.879 ( 3.406 -10.302 -2.810) 11.208 12.266 ( -2.275 -3.184 3.529) 5.270 12.631 ( -2.093 11.963 -1.304) 12.215 13.186 ( 3.715 1.267 -2.977) 4.926 13.333 ( 1.546 -9.339 1.781) 9.633 13.497 ( 3.984 -2.648 1.444) 4.997 13.593 ( 4.059 -1.834 -1.691) 4.764 13.972 ( -0.560 2.883 -0.878) 3.066 14.065 ( -4.338 1.289 -3.591) 5.777 14.340 ( -1.103 -0.691 -3.879) 4.091 15.144 ( 2.711 -6.934 -0.253) 7.449 15.460 ( -2.262 -0.248 9.469) 9.738 15.673 ( -8.000 19.091 18.690) 27.889 16.269 ( 4.543 -15.507 -11.307) 19.722 16.903 ( 1.366 2.802 -7.850) 8.446 17.452 ( -12.601 10.928 -9.351) 19.122 17.720 ( 2.114 0.648 19.522) 19.647 18.718 ( 5.409 -4.826 -6.327) 9.622 18.780 ( -9.701 1.281 -2.222) 10.034 19.041 ( 9.238 0.519 0.281) 9.257 19.648 ( 1.057 2.116 -0.692) 2.465 19.979 ( -14.760 -3.781 3.860) 15.718 20.279 ( 4.255 10.068 5.930) 12.435 20.611 ( -3.640 -1.681 -4.208) 5.812 20.810 ( 1.883 -4.064 5.048) 6.749 21.547 ( -0.194 -6.046 -6.720) 9.042 21.766 ( 9.103 -0.104 -0.191) 9.105 ======================= Grid point 108 (51/125) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -15.050 2.634 -1.366) 15.340 2.172 ( -12.675 -9.074 14.093) 21.015 2.432 ( 1.281 2.650 -2.702) 3.995 2.570 ( -0.421 -10.004 8.259) 12.979 2.765 ( 1.416 7.125 0.509) 7.282 2.850 ( -6.821 0.687 -2.401) 7.264 2.888 ( -0.207 5.455 -9.492) 10.950 3.253 ( -1.876 -1.996 -6.620) 7.165 3.326 ( -11.029 -4.797 1.798) 12.160 3.496 ( 1.338 -1.494 4.620) 5.037 3.590 ( -16.512 -8.145 -5.151) 19.118 3.648 ( 0.226 3.273 6.217) 7.030 3.813 ( 9.238 5.454 -2.013) 10.915 3.886 ( 2.943 -2.502 -2.846) 4.798 4.123 ( 3.008 -0.181 -3.857) 4.894 4.245 ( 3.226 -3.779 4.263) 6.547 4.600 ( -4.378 -2.401 -2.570) 5.616 4.627 ( 4.965 0.725 2.113) 5.444 5.033 ( -4.624 0.771 0.997) 4.793 5.187 ( 9.475 5.999 11.738) 16.234 5.222 ( 1.627 7.528 -8.368) 11.373 5.476 ( 4.312 1.770 -11.324) 12.246 5.614 ( 4.420 1.237 6.173) 7.693 5.831 ( -1.114 -4.854 -4.351) 6.613 6.077 ( -4.392 2.568 2.843) 5.828 6.135 ( -5.272 -5.207 0.111) 7.411 6.356 ( 3.615 1.676 1.700) 4.332 7.402 ( -1.243 5.381 3.918) 6.772 7.746 ( 0.394 -3.870 3.016) 4.922 7.801 ( -11.952 -5.003 -0.061) 12.957 8.018 ( 4.416 1.926 1.773) 5.134 8.212 ( -3.253 -8.280 -6.436) 10.980 8.253 ( -0.826 5.384 3.002) 6.219 8.587 ( -0.074 7.332 -1.078) 7.411 8.611 ( 16.568 -0.712 -3.515) 16.952 8.957 ( 1.785 -7.245 -3.879) 8.410 9.247 ( 11.817 -5.843 0.380) 13.188 9.287 ( -5.907 -4.552 -4.816) 8.877 9.508 ( 2.407 6.576 -3.875) 8.003 9.926 ( 6.088 -1.234 9.700) 11.519 10.069 ( -2.209 3.795 7.011) 8.273 10.308 ( 0.125 12.723 -5.635) 13.916 10.595 ( 0.562 -2.175 1.424) 2.659 10.737 ( -0.014 1.329 -4.105) 4.315 11.139 ( 2.014 9.788 3.676) 10.647 11.428 ( -8.066 -3.958 -2.245) 9.261 11.483 ( 0.113 -7.986 6.347) 10.202 11.690 ( -6.396 -4.390 -8.911) 11.815 11.904 ( 8.985 -5.027 -5.708) 11.772 12.209 ( -5.198 -2.477 5.089) 7.684 12.845 ( 9.415 15.155 -1.410) 17.897 13.145 ( -5.809 -1.845 -2.497) 6.587 13.316 ( 6.130 -8.415 1.733) 10.554 13.596 ( 6.819 1.393 0.682) 6.993 13.685 ( 6.310 -1.540 -4.533) 7.920 14.015 ( -0.925 0.445 2.539) 2.739 14.034 ( 2.562 4.256 0.309) 4.977 14.250 ( -4.358 0.844 -5.702) 7.226 15.171 ( 7.301 -3.985 0.131) 8.319 15.493 ( 2.741 -1.432 6.731) 7.408 15.836 ( -7.621 23.256 19.362) 31.206 16.105 ( 0.698 -18.474 -8.169) 20.211 16.924 ( 4.090 -1.940 -5.782) 7.344 17.267 ( -13.586 5.757 -8.346) 16.952 17.809 ( -1.677 1.623 15.186) 15.365 18.499 ( -22.538 2.964 0.767) 22.745 18.592 ( -6.295 -10.732 -7.914) 14.746 19.123 ( 6.185 -7.108 -6.231) 11.296 19.526 ( -15.586 -5.816 1.152) 16.676 19.725 ( -13.451 3.598 7.638) 15.881 20.523 ( 4.675 5.987 6.667) 10.107 20.616 ( 10.055 4.554 -4.281) 11.839 20.936 ( 10.520 -0.466 3.744) 11.176 21.446 ( 0.148 -4.033 -5.105) 6.507 22.051 ( 18.053 4.219 -1.670) 18.614 ======================= Grid point 109 (52/125) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -23.474 3.914 0.226) 23.799 1.746 ( -25.806 -12.848 9.971) 30.503 2.301 ( -18.913 -2.475 -0.021) 19.074 2.577 ( 5.000 -3.903 7.079) 9.505 2.792 ( -4.113 -1.270 4.668) 6.350 2.821 ( 0.402 0.538 -6.721) 6.755 2.922 ( -1.906 7.323 -4.890) 9.009 3.054 ( -10.284 -5.512 2.714) 11.979 3.167 ( -3.589 4.170 -2.341) 5.979 3.258 ( -2.997 -7.342 0.131) 7.931 3.551 ( 2.524 0.889 -1.719) 3.181 3.666 ( -3.128 -2.189 0.813) 3.904 3.910 ( 7.143 0.155 1.445) 7.290 4.075 ( 8.208 6.687 -5.509) 11.935 4.148 ( -0.953 3.488 4.192) 5.536 4.390 ( 8.123 0.686 -0.318) 8.158 4.467 ( -0.404 -4.974 -2.329) 5.507 4.723 ( 1.059 -1.856 1.432) 2.572 4.942 ( -6.983 3.051 5.318) 9.292 5.205 ( 1.468 -4.000 -9.375) 10.298 5.393 ( 2.743 3.207 12.894) 13.567 5.519 ( 2.202 4.448 -23.219) 23.743 5.718 ( 0.837 1.783 -1.649) 2.569 5.803 ( 5.571 -0.749 1.429) 5.800 6.012 ( -2.752 -5.869 13.322) 14.815 6.052 ( -2.391 1.178 -2.186) 3.447 6.409 ( 0.541 1.196 -0.809) 1.543 7.339 ( -11.534 -1.063 1.049) 11.630 7.658 ( -0.127 0.157 2.321) 2.330 7.732 ( 2.253 -5.104 2.162) 5.983 8.062 ( -4.118 3.646 -1.930) 5.829 8.194 ( 10.344 3.752 -2.524) 11.289 8.337 ( 0.478 1.923 1.634) 2.569 8.500 ( -5.077 -6.374 -9.455) 12.482 8.781 ( 2.172 2.772 4.509) 5.722 8.961 ( 2.950 -9.617 -5.344) 11.391 9.218 ( 9.056 4.928 -2.003) 10.503 9.428 ( 8.584 -2.730 -2.606) 9.377 9.617 ( 3.480 7.645 -5.422) 9.997 9.925 ( -4.196 -4.924 5.844) 8.718 10.129 ( -1.667 3.955 11.177) 11.973 10.463 ( 7.829 7.679 -5.795) 12.404 10.630 ( 6.843 -4.261 5.986) 10.041 10.768 ( 3.720 2.024 -5.524) 6.961 11.191 ( -5.536 -4.030 -3.688) 7.778 11.289 ( -0.479 7.234 -4.513) 8.540 11.460 ( -1.419 -6.485 2.648) 7.147 11.553 ( -1.094 2.121 0.752) 2.502 11.988 ( 7.077 -4.091 -3.788) 9.009 12.071 ( -9.295 -1.989 3.233) 10.040 12.989 ( -7.528 -2.005 -3.456) 8.523 13.115 ( 6.172 6.107 -1.314) 8.782 13.444 ( 14.017 -0.049 2.391) 14.220 13.634 ( -6.487 0.726 4.333) 7.834 13.703 ( 1.701 -0.793 -8.840) 9.037 14.084 ( 5.579 -0.938 5.009) 7.556 14.129 ( 6.009 1.938 2.194) 6.684 14.234 ( 2.299 4.433 -11.090) 12.162 15.344 ( 14.196 0.626 1.163) 14.257 15.562 ( 5.188 -8.308 10.607) 14.437 15.877 ( -1.898 -14.263 -6.719) 15.881 16.011 ( -8.691 23.361 19.517) 31.657 16.922 ( 2.781 -10.208 -9.565) 14.262 17.094 ( -8.793 10.580 -1.230) 13.812 17.808 ( -5.122 -4.382 14.147) 15.670 18.128 ( -24.149 8.285 -0.476) 25.536 18.262 ( -12.294 -13.383 -10.520) 20.998 19.012 ( -16.434 -4.793 -11.016) 20.357 19.108 ( -12.077 -9.090 -3.730) 15.569 19.708 ( -3.353 9.025 24.883) 26.680 20.649 ( 8.831 -2.380 -1.692) 9.301 20.878 ( 8.311 7.391 5.448) 12.385 21.144 ( 10.713 2.348 -0.853) 11.000 21.422 ( 2.781 -3.497 -4.273) 6.182 22.417 ( 19.698 3.708 -3.332) 20.319 ======================= Grid point 112 (53/125) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -7.173 14.311 12.356) 20.222 1.411 ( -9.371 20.769 18.316) 29.234 2.282 ( -14.202 16.429 19.347) 29.085 2.426 ( 0.987 3.340 -15.219) 15.613 2.537 ( -5.993 10.936 1.825) 12.603 2.825 ( 2.318 -0.196 4.507) 5.072 2.982 ( 0.127 1.872 1.990) 2.735 3.069 ( -6.949 -0.657 3.075) 7.628 3.148 ( 7.735 0.226 1.627) 7.907 3.352 ( 2.354 0.056 1.844) 2.991 3.580 ( -3.284 -2.149 -2.956) 4.913 3.717 ( -8.339 -0.782 -3.346) 9.020 3.784 ( 6.377 0.510 0.156) 6.400 4.081 ( -5.743 2.854 -6.241) 8.948 4.189 ( 1.740 -6.433 1.544) 6.840 4.396 ( 1.791 -1.692 -5.474) 6.003 4.571 ( 0.273 5.736 3.395) 6.671 4.791 ( 5.217 -5.850 -3.214) 8.471 4.934 ( 5.096 -7.721 8.155) 12.332 5.031 ( -1.472 7.100 -16.462) 17.989 5.172 ( -1.826 -0.463 -11.453) 11.607 5.553 ( -1.965 -0.740 8.726) 8.975 5.697 ( 2.286 -7.437 -7.624) 10.893 5.914 ( 2.358 -0.418 1.383) 2.765 6.054 ( -2.020 4.865 0.965) 5.355 6.212 ( -1.175 3.019 2.273) 3.958 6.417 ( 1.131 -3.596 7.340) 8.251 7.009 ( -3.903 9.744 -6.295) 12.239 7.682 ( 3.666 -0.474 -0.762) 3.774 7.806 ( 0.212 -3.341 7.265) 7.999 8.159 ( -7.361 -1.519 -4.011) 8.519 8.178 ( 0.377 4.400 2.949) 5.310 8.249 ( -0.106 4.815 -6.688) 8.242 8.759 ( 5.210 -10.675 2.512) 12.141 8.811 ( 6.174 7.381 -4.817) 10.761 8.986 ( -6.839 -5.843 4.463) 10.042 9.181 ( -1.994 1.413 -11.507) 11.764 9.415 ( -2.966 3.374 0.516) 4.522 9.696 ( 3.500 -1.288 4.542) 5.877 9.878 ( 3.821 -7.300 3.076) 8.795 10.148 ( 4.430 -4.127 8.531) 10.461 10.512 ( 5.563 -6.008 -9.330) 12.413 10.743 ( 4.908 -7.316 -2.267) 9.096 10.925 ( -5.304 -1.521 -3.161) 6.359 11.007 ( -0.293 3.304 -4.960) 5.967 11.172 ( -3.118 1.438 -8.060) 8.761 11.473 ( 3.209 5.478 -3.915) 7.459 11.728 ( -4.917 -3.502 5.207) 7.972 11.830 ( -3.211 5.704 2.774) 7.110 12.239 ( 1.280 0.921 7.605) 7.766 12.805 ( -2.169 4.976 -3.510) 6.464 13.253 ( -1.582 6.129 -0.290) 6.336 13.415 ( -6.828 -0.096 3.088) 7.495 13.501 ( 6.139 4.888 -0.603) 7.870 13.880 ( 3.043 -13.179 -1.988) 13.671 14.200 ( 6.266 -4.890 -0.699) 7.979 14.266 ( 4.368 -8.428 -1.187) 9.566 14.344 ( -5.559 -0.758 -5.726) 8.017 15.488 ( 4.477 -16.339 -2.185) 17.082 15.712 ( 14.857 4.629 10.806) 18.945 15.769 ( -0.369 -4.199 7.497) 8.601 16.317 ( 3.527 -14.235 15.095) 21.047 16.862 ( -4.264 3.271 -10.372) 11.681 17.123 ( -3.464 1.315 2.245) 4.332 17.355 ( -1.912 5.189 2.841) 6.217 17.910 ( -2.962 15.431 0.323) 15.716 18.098 ( -6.386 19.008 -5.317) 20.745 18.467 ( -19.998 22.597 -1.648) 30.220 18.845 ( -9.646 18.851 -11.541) 24.116 20.086 ( 10.616 -26.442 33.321) 43.843 20.798 ( 8.433 -5.362 -2.335) 10.263 20.978 ( -2.564 -3.610 3.938) 5.926 21.273 ( 7.656 -7.060 -3.138) 10.876 21.548 ( -0.404 -1.365 -0.458) 1.496 22.691 ( 9.128 -16.166 -4.715) 19.154 ======================= Grid point 113 (54/125) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 9.811 17.184 12.558) 23.436 1.626 ( -2.665 24.578 14.531) 28.676 2.228 ( -4.293 4.097 -8.395) 10.281 2.463 ( 4.699 3.830 -15.122) 16.292 2.709 ( -0.079 19.996 21.399) 29.287 2.887 ( 0.235 1.025 7.894) 7.964 2.961 ( -3.305 -1.386 2.445) 4.339 3.054 ( 0.759 7.573 6.568) 10.053 3.225 ( 0.959 -2.565 3.458) 4.411 3.355 ( -10.735 -4.683 -1.516) 11.809 3.443 ( 4.956 2.069 -2.161) 5.789 3.664 ( -1.124 4.577 2.588) 5.377 3.867 ( 3.516 -1.155 -6.794) 7.736 4.067 ( 1.890 -1.000 0.084) 2.140 4.165 ( 2.238 -2.298 -1.832) 3.694 4.346 ( -0.585 -4.843 -6.088) 7.801 4.567 ( -5.459 -0.337 2.939) 6.209 4.775 ( 1.020 -1.946 -6.471) 6.834 4.927 ( -1.285 3.462 -21.429) 21.745 5.042 ( 2.365 -2.043 8.634) 9.182 5.116 ( 0.334 -2.855 -3.206) 4.306 5.586 ( 2.009 -3.818 2.652) 5.064 5.613 ( 1.467 -2.389 -3.338) 4.359 5.925 ( -2.824 -1.392 2.458) 3.994 6.044 ( -1.851 1.474 -0.316) 2.387 6.250 ( 0.125 6.239 -0.786) 6.290 6.405 ( -0.736 -5.604 8.284) 10.028 7.084 ( 1.206 14.215 -5.684) 15.357 7.776 ( 1.622 -3.420 1.601) 4.110 7.800 ( 3.951 -1.380 1.598) 4.480 8.017 ( -6.361 4.380 3.742) 8.582 8.215 ( 1.757 0.932 -2.961) 3.567 8.257 ( -1.290 -2.067 -4.327) 4.966 8.580 ( -12.934 -0.146 2.158) 13.113 8.764 ( 1.582 -3.808 -5.196) 6.634 9.026 ( -3.955 -1.083 0.369) 4.117 9.281 ( 12.498 3.280 -2.087) 13.088 9.316 ( -4.500 -5.695 -0.366) 7.267 9.688 ( -5.098 -1.822 6.166) 8.205 9.939 ( 8.238 -6.424 1.665) 10.578 10.188 ( 1.197 -2.550 6.811) 7.371 10.468 ( 2.907 -12.177 -9.996) 16.020 10.691 ( -2.122 -5.860 -6.462) 8.978 10.836 ( 2.255 2.214 0.452) 3.192 11.040 ( -2.179 2.129 -4.638) 5.549 11.091 ( -2.407 2.140 -5.529) 6.399 11.560 ( 1.273 7.196 -2.901) 7.863 11.662 ( -2.072 -1.891 6.293) 6.890 11.860 ( -1.585 5.023 0.031) 5.268 12.246 ( -2.891 -1.574 8.342) 8.968 12.819 ( -0.622 5.539 -4.142) 6.944 13.227 ( -3.189 -4.541 1.725) 5.811 13.418 ( 2.737 6.806 -0.742) 7.373 13.647 ( 3.398 4.079 1.780) 5.599 13.739 ( -3.178 -10.558 1.049) 11.075 14.155 ( -5.949 -4.361 -4.179) 8.478 14.200 ( 0.163 -10.393 -3.988) 11.133 14.234 ( 2.520 -7.301 2.121) 8.009 15.444 ( 5.688 -12.673 -0.514) 13.901 15.748 ( -0.254 -6.871 1.193) 6.978 15.938 ( -1.385 9.475 3.437) 10.174 16.250 ( 3.171 -13.647 15.117) 20.611 16.880 ( 6.782 1.507 -1.267) 7.062 17.036 ( -9.565 1.852 -1.881) 9.923 17.536 ( 12.566 8.951 -0.147) 15.428 17.991 ( -2.390 17.646 3.559) 18.160 18.158 ( -14.113 16.412 -4.174) 22.044 18.475 ( 2.537 25.563 -6.803) 26.575 18.936 ( -3.513 21.043 -3.721) 21.656 20.179 ( 13.363 -22.625 25.865) 36.870 20.832 ( 0.010 -5.864 -0.148) 5.866 20.922 ( 1.962 -4.700 3.226) 6.029 21.253 ( -0.684 -8.908 -2.214) 9.205 21.466 ( -4.630 -2.919 -2.292) 5.934 22.562 ( -0.012 -20.387 -5.402) 21.091 ======================= Grid point 114 (55/125) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 10.446 12.782 8.889) 18.748 1.890 ( 0.929 23.683 5.946) 24.435 2.189 ( 1.144 4.340 -15.401) 16.042 2.526 ( 5.628 1.654 -12.511) 13.818 2.843 ( -5.636 -0.487 6.361) 8.513 2.935 ( 3.730 1.660 9.449) 10.293 3.024 ( 1.484 3.692 6.628) 7.731 3.111 ( -3.314 -7.300 -0.435) 8.029 3.186 ( 0.054 3.451 3.406) 4.849 3.323 ( -0.688 17.867 13.020) 22.118 3.562 ( 3.271 5.184 4.557) 7.638 3.751 ( 1.957 6.788 5.921) 9.218 3.866 ( 2.454 -1.874 -4.651) 5.583 4.036 ( 1.164 -9.213 0.942) 9.334 4.196 ( 1.459 1.018 -13.018) 13.139 4.246 ( -1.893 -9.413 2.831) 10.010 4.448 ( -4.120 -2.425 1.869) 5.133 4.761 ( 1.453 0.185 -5.750) 5.933 4.858 ( -0.277 3.633 -19.031) 19.377 5.057 ( -0.629 -3.457 3.765) 5.150 5.113 ( 0.515 2.681 -2.204) 3.508 5.519 ( 1.801 -5.904 -6.255) 8.788 5.702 ( 1.418 -0.800 1.578) 2.267 5.823 ( -5.619 1.969 2.119) 6.319 6.033 ( 0.785 -3.485 3.436) 4.956 6.311 ( -1.542 4.328 4.567) 6.478 6.371 ( 0.421 -2.860 1.152) 3.112 7.270 ( 4.490 16.241 -4.958) 17.564 7.739 ( 0.236 -5.838 0.998) 5.927 7.781 ( -3.310 -1.025 2.629) 4.349 8.105 ( 2.321 -5.421 -0.428) 5.913 8.117 ( -5.044 8.854 0.130) 10.191 8.273 ( 1.001 3.291 -2.714) 4.382 8.459 ( -2.665 0.924 4.149) 5.017 8.728 ( 1.563 -4.293 -1.893) 4.945 8.964 ( -7.472 0.235 0.841) 7.523 9.092 ( -0.465 -13.204 -6.536) 14.741 9.473 ( 1.329 -1.794 2.631) 3.451 9.590 ( -1.916 -5.108 7.418) 9.208 9.988 ( 0.876 2.385 -2.155) 3.332 10.260 ( 2.037 -5.010 -1.816) 5.705 10.290 ( 1.702 -8.262 -2.444) 8.783 10.622 ( -0.280 -3.863 -6.337) 7.427 10.867 ( -4.492 0.495 8.425) 9.561 10.982 ( 1.238 3.863 -12.346) 12.996 11.142 ( 2.288 8.380 -0.829) 8.726 11.609 ( -1.684 3.672 1.681) 4.375 11.669 ( 0.856 -3.071 8.661) 9.229 11.826 ( -2.343 -2.394 -5.784) 6.684 12.246 ( -0.478 3.549 8.621) 9.335 12.848 ( 0.229 3.823 -4.845) 6.176 13.163 ( 2.328 -5.809 2.997) 6.939 13.462 ( -4.364 -12.009 -1.541) 12.870 13.595 ( -3.632 5.095 2.020) 6.575 13.703 ( -1.088 -0.244 -0.696) 1.314 14.039 ( 0.887 -4.776 -2.944) 5.681 14.118 ( 1.484 -3.921 -3.834) 5.681 14.196 ( -0.402 -4.406 3.508) 5.646 15.326 ( -4.686 -11.636 -2.334) 12.759 15.673 ( 0.424 -4.494 3.826) 5.917 15.984 ( -7.779 9.960 8.781) 15.389 16.217 ( 3.235 -13.344 -5.361) 14.740 16.862 ( -5.076 8.896 0.098) 10.243 17.184 ( 15.224 0.412 10.164) 18.310 17.837 ( 14.949 3.892 -5.610) 16.435 18.029 ( -14.394 15.345 -5.245) 21.683 18.280 ( 8.188 24.611 5.473) 26.508 18.785 ( 7.660 9.077 -4.735) 12.786 19.076 ( -1.081 23.893 -1.106) 23.943 20.277 ( 9.402 -15.594 15.948) 24.205 20.682 ( -8.783 -7.868 4.696) 12.693 20.982 ( 8.206 -4.242 -4.670) 10.351 21.059 ( -9.359 -8.815 3.237) 13.258 21.332 ( -6.157 -3.075 -3.681) 7.805 22.270 ( -6.536 -19.692 -6.460) 21.731 ======================= Grid point 115 (56/125) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 4.313 4.919 2.038) 6.852 2.165 ( 4.162 15.943 -3.378) 16.820 2.242 ( 3.772 7.685 -8.439) 12.021 2.594 ( 6.163 1.401 -7.678) 9.945 2.803 ( -3.100 1.870 9.715) 10.368 2.914 ( -6.420 -4.674 6.466) 10.241 3.059 ( 5.721 -0.811 3.570) 6.792 3.121 ( 2.320 0.478 -1.994) 3.096 3.274 ( 4.153 5.838 -1.795) 7.386 3.495 ( -2.221 12.032 3.881) 12.836 3.615 ( -6.215 0.985 8.175) 10.316 3.834 ( 0.988 -1.100 0.736) 1.652 3.942 ( -1.344 -1.923 7.075) 7.453 3.999 ( 5.811 -4.121 -1.276) 7.238 4.069 ( -4.949 -12.538 2.393) 13.691 4.161 ( 3.099 3.637 -6.268) 7.882 4.474 ( 4.518 2.089 6.965) 8.561 4.776 ( 1.156 -0.205 -1.512) 1.914 4.835 ( 1.375 2.598 -14.346) 14.644 5.045 ( 2.302 -3.275 -1.697) 4.348 5.110 ( -3.012 5.434 -7.385) 9.650 5.500 ( 3.401 -3.475 -1.771) 5.175 5.547 ( -11.354 2.085 -5.632) 12.844 5.877 ( 2.553 -1.959 4.108) 5.218 6.047 ( 3.699 -3.340 7.229) 8.780 6.294 ( -3.585 0.078 3.430) 4.962 6.380 ( -0.547 1.917 -1.572) 2.539 7.492 ( 2.847 15.524 -4.355) 16.372 7.675 ( -0.462 -4.802 1.120) 4.953 7.783 ( 1.854 2.327 4.471) 5.370 7.977 ( -3.516 -2.012 -1.384) 4.281 8.174 ( -1.147 1.064 -4.388) 4.658 8.335 ( 1.402 4.435 5.747) 7.394 8.473 ( 1.301 -2.430 2.394) 3.650 8.686 ( -3.583 -8.961 -3.389) 10.229 8.766 ( -4.831 -6.723 -0.968) 8.335 9.026 ( 5.653 -5.561 -0.912) 7.982 9.472 ( 0.051 4.016 3.360) 5.237 9.531 ( -1.847 -7.708 4.494) 9.112 9.999 ( -3.580 3.105 -6.089) 7.716 10.061 ( -5.194 -8.785 -1.639) 10.337 10.405 ( 6.670 0.072 -4.189) 7.877 10.517 ( -5.203 1.520 -3.009) 6.200 10.875 ( 1.401 -0.249 9.662) 9.766 11.008 ( -1.536 8.133 -7.899) 11.441 11.288 ( 2.928 8.385 0.121) 8.882 11.616 ( 1.576 -6.777 -1.726) 7.169 11.649 ( -0.316 2.291 7.338) 7.694 11.789 ( 3.705 -4.898 -0.607) 6.172 12.332 ( 0.491 2.897 5.617) 6.339 12.865 ( 0.344 2.693 -4.395) 5.166 13.155 ( -12.521 -7.953 -0.200) 14.835 13.222 ( 7.299 -3.098 1.660) 8.101 13.485 ( -8.245 -6.330 -0.263) 10.398 13.686 ( -2.031 -2.772 3.554) 4.944 14.028 ( 1.651 -3.000 -5.401) 6.395 14.114 ( 2.319 -0.232 -3.038) 3.829 14.228 ( 2.904 4.922 0.597) 5.746 15.107 ( -3.242 -13.631 -1.305) 14.072 15.678 ( -3.233 2.623 4.886) 6.419 15.962 ( -10.134 8.713 19.672) 23.782 16.086 ( 4.100 -12.525 -15.512) 20.355 16.936 ( -0.099 11.935 -9.786) 15.434 17.480 ( 10.651 -1.066 19.499) 22.244 17.922 ( -13.541 16.987 -6.019) 22.542 18.120 ( 20.509 -4.265 -5.200) 21.584 18.728 ( 10.628 20.985 4.048) 23.869 18.828 ( 1.037 -1.101 -4.182) 4.447 19.391 ( 7.640 20.909 -2.798) 22.437 20.308 ( 2.662 -9.771 7.052) 12.340 20.435 ( -10.977 -8.178 4.438) 14.390 20.800 ( -10.838 -5.787 6.070) 13.704 21.062 ( -2.654 2.089 -8.537) 9.181 21.205 ( 5.114 -8.048 1.176) 9.608 21.928 ( -8.482 -15.510 -5.781) 18.599 ======================= Grid point 116 (57/125) ======================= q-point: ( 0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 3.034 0.945 -3.354) 4.620 2.294 ( 2.780 3.702 -1.497) 4.865 2.378 ( 3.102 7.149 1.257) 7.894 2.684 ( 0.923 2.086 -3.650) 4.305 2.771 ( -1.669 -1.783 4.426) 5.056 2.848 ( -4.240 1.903 5.627) 7.298 3.105 ( -0.256 0.012 -2.769) 2.781 3.228 ( 5.338 2.533 1.077) 6.005 3.398 ( 4.386 4.301 -0.051) 6.143 3.459 ( -6.871 0.276 -0.223) 6.880 3.571 ( -2.618 4.181 3.968) 6.331 3.815 ( 0.800 -4.483 -2.171) 5.045 3.890 ( 1.936 -10.152 0.103) 10.336 3.892 ( -8.269 1.917 7.347) 11.226 3.951 ( -0.404 -5.558 -9.531) 11.040 4.315 ( 7.358 0.706 5.452) 9.185 4.702 ( 0.640 7.542 4.536) 8.824 4.718 ( -6.641 -8.527 -0.095) 10.808 4.776 ( 3.000 2.929 -2.684) 4.978 5.010 ( 1.370 0.300 -2.125) 2.546 5.177 ( 8.373 3.790 -9.394) 13.142 5.420 ( -7.338 8.853 -4.085) 12.202 5.545 ( 3.709 -1.100 3.051) 4.927 5.839 ( -1.448 -7.001 -0.628) 7.177 6.145 ( 4.527 -2.088 7.085) 8.663 6.245 ( -1.860 1.659 -3.238) 4.086 6.349 ( -4.627 1.009 1.748) 5.048 7.537 ( -6.847 8.426 -0.080) 10.858 7.727 ( 3.918 0.963 0.799) 4.113 7.864 ( 1.477 0.862 0.459) 1.770 8.015 ( 9.628 0.053 3.250) 10.162 8.133 ( 0.647 -0.121 -2.928) 3.001 8.301 ( -11.345 -1.200 4.450) 12.246 8.492 ( 3.754 -9.302 -5.568) 11.473 8.525 ( -1.999 -6.830 -1.324) 7.238 8.648 ( 3.076 -0.717 2.629) 4.110 9.139 ( 4.384 -1.175 3.698) 5.854 9.405 ( 1.195 -6.548 -8.045) 10.441 9.595 ( -1.291 10.886 1.871) 11.120 9.788 ( -8.597 -7.396 -0.404) 11.348 10.008 ( 1.868 -1.744 2.609) 3.652 10.447 ( -2.317 5.739 -4.319) 7.547 10.526 ( 3.321 2.870 -2.153) 4.889 10.892 ( -5.341 -1.465 5.013) 7.470 11.055 ( 2.867 6.455 -1.009) 7.135 11.382 ( -0.275 5.842 1.392) 6.012 11.595 ( 6.712 -5.197 -4.409) 9.565 11.722 ( 0.368 -5.104 -0.586) 5.150 11.825 ( 1.688 3.690 5.632) 6.941 12.272 ( -4.988 -7.966 0.711) 9.425 12.846 ( -6.950 12.036 -1.359) 13.964 13.066 ( 8.028 -2.412 -1.321) 8.486 13.270 ( -6.012 -10.102 1.891) 11.907 13.336 ( 7.237 -2.114 -0.026) 7.539 13.585 ( -4.089 -5.478 2.010) 7.125 14.022 ( -0.257 3.642 -1.920) 4.125 14.112 ( -1.379 1.599 -5.450) 5.845 14.345 ( 2.626 4.571 -0.187) 5.275 14.956 ( 2.936 -15.038 0.308) 15.325 15.617 ( -8.402 2.761 6.788) 11.148 15.982 ( 3.271 -10.222 -3.197) 11.198 16.044 ( -2.067 12.033 8.274) 14.749 16.952 ( -4.413 8.055 -10.369) 13.851 17.626 ( -0.048 -2.756 3.078) 4.132 17.875 ( -7.888 12.983 9.876) 18.119 18.412 ( 19.471 -4.216 -6.696) 21.017 18.729 ( 0.262 -8.369 -5.341) 9.932 19.127 ( 3.162 18.709 2.397) 19.125 19.615 ( 2.973 3.643 -1.438) 4.917 20.158 ( -8.500 -6.327 2.137) 10.810 20.335 ( 0.882 1.993 4.191) 4.724 20.646 ( -5.219 -4.266 6.523) 9.380 20.892 ( -10.461 3.529 -4.174) 11.803 21.341 ( 12.669 -6.598 -3.132) 14.623 21.668 ( -2.758 -8.215 -2.510) 9.022 ======================= Grid point 117 (58/125) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -0.949 1.453 -4.892) 5.191 2.366 ( 4.387 -2.545 2.474) 5.643 2.429 ( -7.905 2.671 8.663) 12.028 2.575 ( -6.042 -6.083 4.682) 9.769 2.789 ( -2.933 -1.025 -0.564) 3.157 2.849 ( 1.515 3.816 0.562) 4.144 3.019 ( -5.981 5.862 -6.347) 10.508 3.229 ( -0.741 -2.369 -3.460) 4.258 3.404 ( -0.021 -1.279 0.757) 1.486 3.517 ( -5.705 -0.214 0.433) 5.725 3.639 ( 8.111 4.987 -1.092) 9.584 3.740 ( -2.663 -7.073 -4.672) 8.885 3.757 ( -4.122 -0.230 5.625) 6.977 3.865 ( -1.554 -0.560 4.883) 5.155 3.981 ( 7.273 5.027 -7.668) 11.703 4.352 ( -13.398 -1.749 4.575) 14.265 4.507 ( 6.165 -4.324 0.158) 7.532 4.628 ( -3.123 -1.853 -2.866) 4.626 5.011 ( 5.976 0.509 -0.618) 6.030 5.115 ( 8.523 5.378 6.409) 11.943 5.311 ( 3.815 -1.253 -4.809) 6.266 5.397 ( -2.349 10.706 -6.697) 12.845 5.618 ( 1.509 1.438 9.445) 9.672 5.724 ( 0.316 -8.913 -5.253) 10.351 6.135 ( -2.964 1.973 -9.000) 9.678 6.228 ( -4.642 -4.164 6.789) 9.218 6.329 ( 1.989 2.795 3.080) 4.611 7.532 ( -3.507 8.858 1.696) 9.676 7.733 ( -1.595 -2.243 0.283) 2.767 7.877 ( -0.659 -5.717 2.446) 6.253 8.015 ( -6.803 -7.705 0.017) 10.278 8.157 ( 0.555 0.644 0.700) 1.101 8.323 ( 12.898 3.495 -0.473) 13.371 8.359 ( -2.800 2.913 1.324) 4.252 8.582 ( 6.412 -2.382 -8.091) 10.595 8.742 ( 7.960 -2.754 -0.470) 8.436 9.118 ( -1.127 -5.225 5.318) 7.540 9.380 ( -3.352 -0.138 -13.163) 13.584 9.507 ( -3.527 4.907 -0.662) 6.079 9.835 ( 7.296 1.337 8.830) 11.532 10.083 ( 5.244 -0.520 5.057) 7.304 10.424 ( -2.924 1.968 -3.097) 4.692 10.611 ( 1.152 6.078 -1.231) 6.307 10.741 ( -6.782 -6.462 0.164) 9.369 11.192 ( 3.876 6.868 2.012) 8.139 11.429 ( 1.299 -2.641 1.765) 3.432 11.548 ( -9.248 -3.492 -4.606) 10.906 11.696 ( 6.552 1.210 -3.277) 7.425 11.772 ( -8.691 -1.593 -0.377) 8.844 12.224 ( 3.279 -2.306 3.225) 5.145 12.921 ( 0.124 15.844 -2.178) 15.993 13.111 ( 2.232 -12.664 0.721) 12.879 13.198 ( 0.813 1.368 0.457) 1.656 13.401 ( 8.633 -5.055 -3.596) 10.630 13.562 ( 5.330 -1.395 0.766) 5.563 14.043 ( -1.992 -0.152 2.705) 3.363 14.107 ( -0.690 10.262 -5.028) 11.448 14.360 ( -4.771 1.982 -0.132) 5.168 14.923 ( 9.321 -12.946 2.373) 16.128 15.537 ( -4.858 -2.132 9.512) 10.892 15.886 ( 1.299 -11.449 -8.532) 14.337 16.212 ( -1.531 17.806 8.195) 19.662 16.907 ( -3.552 3.400 -0.381) 4.932 17.479 ( -9.775 -1.145 -10.344) 14.278 17.944 ( -3.238 4.956 14.747) 15.891 18.523 ( -0.956 -7.095 -9.474) 11.875 18.699 ( 5.488 -0.674 -0.490) 5.551 19.125 ( -14.555 3.356 -0.780) 14.957 19.626 ( -0.278 -5.373 2.631) 5.989 19.998 ( -9.950 3.033 6.618) 12.328 20.472 ( 5.028 0.413 -8.948) 10.272 20.521 ( 1.255 -3.286 4.581) 5.776 20.887 ( 1.442 10.252 6.601) 12.279 21.346 ( 1.535 -7.943 -5.691) 9.891 21.762 ( 15.638 0.008 -1.448) 15.704 ======================= Grid point 118 (59/125) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -12.835 0.781 -3.480) 13.321 2.166 ( -22.369 -1.984 7.191) 23.580 2.396 ( 2.619 -5.467 -0.198) 6.065 2.513 ( -1.538 1.034 6.619) 6.874 2.750 ( 0.970 -2.023 -3.072) 3.804 2.857 ( 0.486 0.016 1.377) 1.460 3.047 ( -3.635 7.549 -0.784) 8.415 3.186 ( 0.950 0.988 -4.756) 4.950 3.276 ( -14.499 -1.079 -0.583) 14.550 3.376 ( -14.447 -6.117 -0.310) 15.692 3.504 ( 2.710 -1.045 1.710) 3.371 3.756 ( -7.072 0.850 3.963) 8.151 3.802 ( 5.234 -0.605 1.277) 5.422 3.968 ( 9.223 7.372 -1.333) 11.882 4.167 ( 9.692 6.500 -6.466) 13.342 4.251 ( 0.044 -0.022 10.158) 10.159 4.443 ( -2.425 -6.301 -7.279) 9.928 4.686 ( 3.813 0.890 4.423) 5.907 5.039 ( 0.813 -3.187 -0.042) 3.289 5.187 ( -8.835 -1.657 -4.226) 9.932 5.342 ( 9.293 2.505 -1.130) 9.691 5.470 ( 1.429 3.586 -8.538) 9.370 5.651 ( 3.394 -7.087 -3.537) 8.617 5.736 ( 3.758 4.387 7.904) 9.790 6.044 ( -4.101 -0.289 -4.617) 6.182 6.138 ( -4.554 -1.386 5.748) 7.464 6.399 ( 2.030 0.879 0.973) 2.417 7.568 ( -12.366 3.516 1.545) 12.949 7.626 ( 0.244 -5.699 -0.107) 5.705 7.713 ( -0.989 -0.929 1.019) 1.697 8.025 ( 5.862 -3.033 -1.458) 6.759 8.127 ( -2.181 0.265 2.923) 3.656 8.402 ( 1.745 -3.816 -6.049) 7.362 8.427 ( -0.608 5.109 -0.830) 5.212 8.748 ( 9.875 7.756 -2.034) 12.721 8.850 ( 7.198 -3.332 -2.506) 8.319 9.125 ( 2.809 3.092 -2.704) 4.976 9.255 ( -0.455 -2.340 2.701) 3.603 9.594 ( 4.805 3.450 -4.477) 7.418 9.956 ( 0.039 -2.737 6.100) 6.686 10.180 ( 3.714 -0.122 4.347) 5.719 10.424 ( 5.461 -0.399 3.640) 6.575 10.525 ( -6.303 -5.087 -5.242) 9.648 10.712 ( 3.270 2.072 1.204) 4.054 11.200 ( -7.655 -11.003 -5.248) 14.394 11.340 ( 3.581 7.173 -1.232) 8.111 11.534 ( -10.765 -0.902 -2.726) 11.141 11.593 ( 2.595 6.405 3.989) 7.979 11.844 ( 5.755 3.895 -3.953) 7.995 12.204 ( -5.742 -1.964 4.805) 7.741 13.030 ( -0.813 -4.060 -7.966) 8.978 13.153 ( 10.873 -3.269 0.153) 11.355 13.164 ( -0.611 9.217 3.176) 9.768 13.542 ( 9.970 -3.446 -4.268) 11.379 13.667 ( 6.158 1.160 -1.005) 6.346 14.023 ( 0.569 -2.502 5.033) 5.649 14.181 ( -4.335 7.485 -0.312) 8.655 14.273 ( -2.950 4.899 -5.787) 8.136 15.057 ( 15.180 -6.428 7.007) 17.912 15.470 ( -0.872 -12.321 13.012) 17.941 15.744 ( -1.053 -7.508 -8.239) 11.197 16.396 ( -0.412 18.680 0.242) 18.686 16.875 ( -6.706 -1.061 7.725) 10.285 17.272 ( -5.647 1.428 -8.334) 10.168 17.934 ( -5.669 -3.707 9.883) 11.982 18.306 ( -11.258 -5.561 -7.121) 14.435 18.603 ( -20.346 5.320 0.607) 21.039 18.980 ( 0.918 0.550 -6.896) 6.978 19.430 ( -18.408 -2.202 0.696) 18.552 19.940 ( -5.975 3.398 17.753) 19.037 20.438 ( 7.446 -6.018 -5.801) 11.194 20.719 ( 13.658 -2.532 2.087) 14.047 21.110 ( 4.994 13.788 5.383) 15.621 21.281 ( 2.792 -7.307 -6.799) 10.364 22.071 ( 19.704 0.037 -3.816) 20.070 ======================= Grid point 121 (60/125) ======================= q-point: ( 0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -14.276 10.535 4.539) 18.314 1.834 ( -9.710 15.395 10.480) 21.003 2.332 ( 1.133 3.298 -12.779) 13.247 2.471 ( -5.599 -3.299 -6.013) 8.854 2.824 ( -1.773 0.809 3.066) 3.633 2.940 ( 2.131 6.936 10.187) 12.507 2.951 ( 1.144 4.135 2.724) 5.082 3.118 ( -3.184 4.278 4.057) 6.701 3.305 ( -10.948 9.646 6.166) 15.840 3.372 ( -1.341 2.549 3.563) 4.582 3.627 ( 1.523 3.291 3.055) 4.741 3.665 ( 0.622 3.785 0.205) 3.841 3.852 ( -10.076 -4.228 -2.955) 11.320 4.060 ( 1.485 -8.787 3.999) 9.768 4.212 ( -3.085 2.771 -8.352) 9.325 4.318 ( 2.098 -3.832 -0.961) 4.473 4.559 ( 6.717 -6.583 -5.915) 11.111 4.572 ( 6.965 3.068 3.123) 8.226 4.897 ( -4.035 -4.343 5.466) 8.063 5.032 ( 3.077 1.665 -2.969) 4.588 5.189 ( -4.357 5.851 -21.631) 22.828 5.466 ( 8.284 -5.806 -8.555) 13.248 5.623 ( -0.455 -3.012 6.252) 6.955 5.909 ( -2.850 -1.477 1.383) 3.495 6.121 ( 0.793 3.327 3.144) 4.646 6.260 ( 1.581 3.366 6.022) 7.078 6.380 ( 1.071 -3.184 1.025) 3.512 7.170 ( -4.912 9.738 -3.469) 11.445 7.661 ( -1.068 -1.200 0.081) 1.608 7.794 ( -0.456 -1.733 5.948) 6.212 8.085 ( 5.957 2.730 -5.211) 8.372 8.254 ( -0.617 -3.303 -4.908) 5.948 8.315 ( -6.817 -2.135 6.374) 9.574 8.583 ( 6.060 -4.683 -1.104) 7.737 8.799 ( 2.554 14.137 0.076) 14.366 9.107 ( -3.351 -2.423 -15.011) 15.571 9.151 ( -1.199 -6.773 -0.053) 6.878 9.322 ( 6.826 -5.719 4.274) 9.877 9.563 ( 2.173 -7.341 6.378) 9.964 9.906 ( -2.011 1.784 3.495) 4.409 10.031 ( 5.584 -3.074 4.218) 7.643 10.391 ( 2.103 -0.153 -6.627) 6.954 10.537 ( 5.957 -10.374 -3.907) 12.584 10.913 ( 5.816 4.184 -2.159) 7.483 11.092 ( -5.676 0.899 -4.000) 7.002 11.240 ( -6.448 3.527 -4.291) 8.510 11.460 ( 2.772 4.977 3.855) 6.879 11.794 ( -5.492 -4.694 0.475) 7.241 11.957 ( -2.308 2.918 -0.831) 3.812 12.219 ( 1.517 0.413 8.962) 9.099 12.869 ( -0.651 3.358 -4.885) 5.963 13.271 ( 6.428 0.438 1.044) 6.527 13.354 ( 5.606 -5.085 -0.546) 7.588 13.590 ( -5.700 6.747 3.176) 9.386 13.769 ( -1.110 -2.420 -6.141) 6.694 13.987 ( 7.351 -7.508 1.421) 10.603 14.100 ( 4.967 -9.046 1.140) 10.383 14.421 ( -5.488 1.809 -8.337) 10.144 15.138 ( 5.690 -23.652 4.125) 24.674 15.533 ( 16.507 4.486 5.732) 18.040 15.820 ( 1.849 1.120 5.389) 5.806 16.327 ( -6.306 1.450 11.603) 13.286 16.946 ( -7.418 1.508 -13.885) 15.814 17.166 ( 2.447 4.284 -1.369) 5.120 17.536 ( -8.672 3.291 13.184) 16.120 18.193 ( -5.519 22.814 1.785) 23.540 18.365 ( -9.791 11.804 -8.613) 17.589 18.967 ( -8.414 12.133 -8.615) 17.095 19.097 ( -17.856 7.313 -1.682) 19.369 19.954 ( -0.431 -8.037 25.962) 27.181 20.559 ( 11.955 -5.573 -1.028) 13.230 20.989 ( -0.401 -2.979 5.237) 6.039 21.002 ( 11.322 -9.616 -4.037) 15.394 21.514 ( 0.670 -2.586 -2.042) 3.362 22.300 ( 13.102 -16.116 -6.910) 21.889 ======================= Grid point 122 (61/125) ======================= q-point: ( 0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -0.089 15.565 7.663) 17.349 1.961 ( -3.057 20.539 11.625) 23.798 2.271 ( -4.413 -0.164 -13.393) 14.102 2.389 ( 1.446 4.110 -11.173) 11.993 2.830 ( 0.385 -3.240 9.325) 9.879 2.959 ( -2.668 7.012 2.235) 7.828 3.109 ( -3.869 1.796 4.777) 6.404 3.163 ( 6.560 2.961 3.214) 7.883 3.277 ( -7.132 9.260 8.801) 14.631 3.412 ( 1.050 4.413 3.649) 5.822 3.549 ( -12.773 6.215 1.628) 14.298 3.725 ( 2.235 1.749 -0.623) 2.906 3.748 ( 2.289 -0.766 2.647) 3.582 4.000 ( 0.628 -9.203 2.374) 9.525 4.169 ( -2.267 5.912 -9.203) 11.171 4.294 ( 0.001 -4.410 -0.204) 4.414 4.561 ( 2.915 -5.592 -5.316) 8.248 4.751 ( 5.888 4.547 -5.930) 9.513 4.792 ( -1.160 -8.059 2.228) 8.441 5.071 ( 0.399 -5.905 3.016) 6.643 5.087 ( -3.132 8.444 -13.846) 16.518 5.464 ( 2.750 -5.558 -9.126) 11.034 5.610 ( -0.077 -0.755 3.501) 3.582 5.899 ( 2.218 -3.251 4.537) 6.006 6.134 ( -3.986 2.281 0.890) 4.677 6.303 ( -0.230 3.433 -2.612) 4.319 6.386 ( 0.992 -3.486 7.157) 8.022 7.220 ( -2.133 14.973 -4.083) 15.666 7.703 ( 4.870 1.478 0.184) 5.093 7.760 ( -1.532 -4.938 3.904) 6.479 8.134 ( 0.355 2.087 -1.702) 2.716 8.207 ( 0.123 0.760 -0.507) 0.922 8.230 ( -2.467 -4.463 0.053) 5.100 8.619 ( 2.964 -4.333 1.832) 5.560 8.844 ( -10.540 1.454 -13.408) 17.117 9.022 ( 2.782 1.454 4.290) 5.316 9.153 ( 3.126 4.366 -5.628) 7.779 9.305 ( 0.333 -12.459 1.990) 12.622 9.618 ( 12.556 -9.576 7.539) 17.498 9.872 ( -8.172 1.544 6.346) 10.461 10.108 ( 5.352 -4.574 2.905) 7.616 10.302 ( -0.349 -8.532 -6.500) 10.732 10.615 ( 5.519 -0.856 -5.216) 7.642 10.862 ( -6.800 -1.181 -2.046) 7.198 11.079 ( 0.609 3.703 -4.085) 5.547 11.139 ( -3.070 2.188 -2.632) 4.598 11.565 ( 1.807 4.410 0.152) 4.769 11.762 ( -1.296 4.601 2.064) 5.207 11.940 ( -2.029 1.929 -0.426) 2.831 12.250 ( 0.545 -2.451 7.086) 7.518 12.868 ( -1.052 3.640 -4.936) 6.223 13.216 ( -3.574 -11.551 1.436) 12.176 13.440 ( 3.097 -3.540 1.015) 4.812 13.628 ( 0.970 8.812 0.893) 8.910 13.736 ( 0.145 3.819 -4.128) 5.626 14.010 ( 3.972 -11.211 -1.249) 11.959 14.081 ( 5.047 -10.715 2.478) 12.101 14.245 ( -8.862 -2.802 -7.283) 11.808 15.122 ( 12.192 -15.384 7.321) 20.950 15.731 ( -0.512 -3.627 7.137) 8.022 15.974 ( 11.656 8.795 -2.991) 14.905 16.237 ( -8.547 -7.055 15.233) 18.838 16.805 ( -1.065 5.107 -17.149) 17.925 17.202 ( -5.458 2.938 3.281) 7.013 17.582 ( -1.764 11.146 8.343) 14.034 18.215 ( -4.917 14.020 3.069) 15.171 18.469 ( -3.572 21.866 -9.157) 23.973 18.829 ( -17.642 11.104 -3.294) 21.105 19.063 ( 7.498 12.750 -5.029) 15.623 19.981 ( -0.837 -7.458 24.293) 25.426 20.674 ( 7.730 -5.887 0.732) 9.744 20.922 ( -2.694 -5.404 0.020) 6.039 21.081 ( 8.180 -9.239 0.676) 12.358 21.464 ( -0.795 -4.764 -2.867) 5.617 22.264 ( 6.937 -20.363 -6.447) 22.458 ======================= Grid point 123 (62/125) ======================= q-point: ( 0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 8.106 14.054 7.560) 17.899 2.121 ( -3.398 7.998 -8.061) 11.853 2.219 ( -0.623 15.711 0.035) 15.723 2.416 ( 2.450 2.205 -9.257) 9.826 2.855 ( 1.337 -1.300 5.395) 5.708 2.984 ( -1.840 -0.293 1.843) 2.621 3.076 ( -2.847 -0.191 5.152) 5.890 3.194 ( -6.207 0.133 6.447) 8.950 3.211 ( -0.450 1.081 -1.521) 1.919 3.526 ( 1.928 8.331 -4.046) 9.460 3.632 ( 1.812 11.607 15.544) 19.484 3.766 ( 4.439 -0.049 -3.350) 5.561 3.837 ( -0.783 9.430 11.076) 14.567 3.923 ( 0.901 -9.330 1.351) 9.470 4.132 ( -0.629 -1.269 -10.599) 10.693 4.256 ( -2.991 -0.640 4.336) 5.306 4.483 ( -2.942 -5.424 -1.197) 6.285 4.723 ( 0.907 -1.678 -1.392) 2.361 4.787 ( 0.582 1.511 -18.445) 18.516 4.984 ( 0.456 -9.477 -0.461) 9.500 5.150 ( 1.446 5.774 2.382) 6.411 5.404 ( 1.248 -3.745 -10.291) 11.022 5.651 ( 3.071 0.189 1.236) 3.316 5.920 ( 0.781 -3.225 6.325) 7.142 6.048 ( -6.463 0.600 0.194) 6.494 6.320 ( 1.934 -3.411 0.338) 3.935 6.399 ( -1.269 3.493 2.990) 4.770 7.338 ( 1.367 11.854 -4.901) 12.900 7.710 ( 0.111 -0.612 1.016) 1.191 7.798 ( 1.805 1.599 -1.225) 2.704 8.109 ( -5.656 -3.680 1.829) 6.991 8.224 ( 3.153 7.849 6.911) 10.923 8.269 ( 3.180 4.526 0.107) 5.532 8.584 ( -5.800 -3.952 0.749) 7.058 8.646 ( -2.022 -3.870 -7.786) 8.927 8.973 ( -4.370 -11.026 -0.600) 11.876 9.093 ( -3.733 0.250 -4.378) 5.759 9.365 ( 6.372 -1.343 -0.594) 6.539 9.697 ( -10.249 -3.874 12.341) 16.503 9.814 ( 14.066 -5.323 -1.945) 15.165 10.126 ( 2.874 -7.387 -3.786) 8.784 10.203 ( -0.079 -5.485 0.222) 5.490 10.589 ( -1.795 -0.107 -3.536) 3.967 10.876 ( 5.633 2.666 -10.171) 11.929 10.982 ( -4.438 -2.372 4.885) 7.013 11.239 ( 1.238 11.314 0.140) 11.382 11.645 ( 2.646 1.915 4.362) 5.449 11.762 ( -6.818 7.499 0.333) 10.141 11.880 ( -5.333 -2.581 -2.566) 6.457 12.279 ( 1.609 0.115 6.034) 6.246 12.837 ( -0.381 -6.005 -4.576) 7.559 13.067 ( 0.441 -6.802 2.487) 7.256 13.433 ( -0.809 0.613 -1.677) 1.961 13.703 ( -2.056 2.082 -2.397) 3.783 13.744 ( -3.772 0.168 3.154) 4.920 13.960 ( 6.669 -6.669 -4.764) 10.566 14.012 ( -2.857 -8.283 0.201) 8.764 14.145 ( 1.908 -1.549 2.188) 3.290 15.217 ( 5.868 -9.221 3.839) 11.585 15.652 ( -3.040 -3.027 -0.074) 4.291 16.062 ( -1.468 -9.903 -1.737) 10.161 16.191 ( -0.922 8.127 6.113) 10.211 16.917 ( 11.375 4.600 -2.935) 12.616 17.091 ( -6.776 2.997 -1.088) 7.489 17.706 ( 2.844 4.639 6.294) 8.320 18.398 ( 0.043 18.449 1.457) 18.506 18.461 ( -10.598 17.464 -4.547) 20.928 18.812 ( 0.655 12.542 -4.214) 13.247 19.324 ( 2.884 18.819 -0.445) 19.044 19.989 ( 6.018 -12.538 14.163) 19.850 20.687 ( -0.501 -10.177 0.871) 10.226 20.820 ( 1.871 -6.267 -3.128) 7.249 21.087 ( -0.063 -7.026 6.534) 9.595 21.378 ( -3.380 -2.045 -4.419) 5.927 22.094 ( 0.368 -19.821 -5.807) 20.657 ======================= Grid point 124 (63/125) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 2.408 4.707 4.226) 6.769 2.128 ( 4.290 7.488 -14.029) 16.471 2.369 ( -2.648 11.571 1.632) 11.982 2.474 ( 5.119 6.303 -6.443) 10.366 2.821 ( -1.505 -5.328 -0.637) 5.573 2.961 ( 0.404 -1.752 5.627) 5.907 3.048 ( 1.334 -4.652 0.992) 4.940 3.187 ( -5.134 8.233 13.446) 16.581 3.271 ( 2.867 7.493 -2.347) 8.359 3.636 ( 1.453 9.358 -3.869) 10.230 3.675 ( -0.085 -3.914 1.823) 4.318 3.811 ( -0.887 -9.954 1.244) 10.070 3.855 ( 2.832 -4.397 -2.120) 5.643 3.998 ( -5.387 2.170 5.775) 8.191 4.086 ( 0.465 2.385 -1.401) 2.805 4.192 ( -3.573 5.264 12.335) 13.879 4.450 ( 2.862 1.022 3.318) 4.499 4.737 ( 3.117 -1.661 -9.826) 10.441 4.747 ( 1.308 -0.063 -4.883) 5.055 4.926 ( 4.007 -5.954 -1.068) 7.256 5.200 ( -2.365 3.635 -3.346) 5.478 5.363 ( 2.641 -2.036 -11.331) 11.812 5.674 ( -1.632 0.401 -1.675) 2.372 5.910 ( -2.313 -0.756 5.740) 6.234 5.991 ( 0.130 -1.471 7.177) 7.327 6.295 ( 0.368 -4.590 -0.760) 4.667 6.434 ( -0.870 4.388 0.474) 4.498 7.451 ( 6.552 1.612 -3.311) 7.516 7.722 ( -3.105 4.856 -3.795) 6.901 7.845 ( -0.448 7.704 3.003) 8.281 8.016 ( -3.234 1.990 1.743) 4.178 8.274 ( -7.843 -0.939 -7.133) 10.643 8.379 ( 2.295 5.302 5.760) 8.158 8.475 ( -1.076 -3.401 6.039) 7.014 8.612 ( 1.176 -5.810 5.418) 8.031 8.802 ( 0.798 -3.584 -11.082) 11.674 8.945 ( -9.850 -4.210 1.483) 10.814 9.385 ( 2.491 -6.500 -3.717) 7.891 9.594 ( -2.861 -2.366 14.253) 14.729 9.999 ( 8.245 2.628 -8.115) 11.863 10.035 ( -1.741 -6.709 -2.205) 7.274 10.194 ( 4.486 -6.913 -0.109) 8.242 10.573 ( 0.397 3.171 -6.271) 7.038 10.900 ( 2.560 1.044 -5.317) 5.993 11.001 ( 0.306 0.056 6.820) 6.827 11.396 ( 2.444 12.484 3.048) 13.081 11.667 ( -9.239 4.201 -1.186) 10.219 11.698 ( -4.437 -5.162 -2.724) 7.331 11.746 ( -0.384 3.297 7.114) 7.850 12.347 ( 2.269 0.247 3.856) 4.481 12.747 ( 4.662 -12.228 -2.032) 13.243 13.116 ( 3.770 3.869 0.094) 5.403 13.342 ( -10.171 -0.783 -1.236) 10.276 13.550 ( -6.584 -6.821 -1.522) 9.602 13.743 ( -2.715 1.333 7.735) 8.306 13.926 ( 1.929 -4.596 -1.019) 5.088 14.027 ( 5.914 -1.208 -5.986) 8.501 14.210 ( 3.862 1.542 3.361) 5.346 15.076 ( -7.916 -9.937 -4.395) 13.443 15.700 ( 5.475 1.922 6.929) 9.038 15.883 ( -1.721 -9.128 -15.200) 17.813 16.247 ( -5.975 5.262 11.646) 14.108 16.981 ( 0.842 5.997 -6.043) 8.555 17.324 ( 16.852 2.417 10.992) 20.265 17.803 ( 7.045 -3.143 -1.120) 7.796 18.312 ( -14.603 15.560 -5.553) 22.050 18.762 ( 10.623 18.908 0.893) 21.706 18.843 ( -5.410 1.036 -1.222) 5.642 19.548 ( 1.011 19.999 -0.042) 20.024 20.071 ( 11.125 -12.328 6.005) 17.658 20.484 ( -5.899 -11.721 -2.246) 13.312 20.848 ( 6.672 -3.209 -6.468) 9.831 21.001 ( -5.916 -6.671 14.410) 16.945 21.265 ( -7.114 1.680 -5.057) 8.889 21.860 ( -4.059 -14.859 -4.294) 15.991 ======================= Grid point 125 (64/125) ======================= q-point: ( 0.67 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 0.900 -0.183 0.279) 0.959 2.243 ( 5.112 4.028 -7.312) 9.789 2.384 ( -0.386 0.444 1.057) 1.209 2.646 ( 4.545 11.604 -7.436) 14.512 2.738 ( -1.008 -7.521 1.871) 7.816 2.985 ( 3.092 -4.811 -1.396) 5.886 3.082 ( 2.980 5.114 2.976) 6.625 3.254 ( -4.223 9.228 12.070) 15.770 3.392 ( 2.496 6.078 -0.841) 6.624 3.600 ( -7.538 -4.613 5.823) 10.584 3.669 ( -0.176 -4.579 -0.349) 4.596 3.715 ( -2.795 -4.416 -0.581) 5.258 3.801 ( -0.409 -9.817 -0.870) 9.864 3.837 ( 0.880 3.968 -13.922) 14.503 4.133 ( -7.877 6.557 8.703) 13.446 4.247 ( 2.833 0.443 6.988) 7.553 4.654 ( 9.864 4.759 5.660) 12.328 4.693 ( -1.119 -4.937 -7.916) 9.396 4.768 ( 4.442 -1.573 0.330) 4.724 5.016 ( 4.541 1.447 4.273) 6.401 5.090 ( -5.291 -1.946 -7.662) 9.512 5.377 ( 4.275 2.731 -12.004) 13.032 5.645 ( -2.824 3.995 2.018) 5.292 5.855 ( -4.700 -2.552 3.569) 6.430 6.066 ( 4.916 -1.562 9.216) 10.561 6.242 ( -0.793 -2.351 -5.750) 6.263 6.441 ( -2.579 2.099 0.552) 3.371 7.603 ( 10.686 0.298 -0.270) 10.694 7.685 ( -3.789 3.095 -0.754) 4.950 7.875 ( -1.681 2.118 -1.886) 3.297 8.027 ( -6.792 -1.533 -0.337) 6.971 8.136 ( 0.649 8.255 -0.671) 8.308 8.380 ( -3.152 -0.516 -0.952) 3.332 8.464 ( -1.824 -13.203 1.719) 13.439 8.538 ( -7.585 0.772 10.413) 12.906 8.640 ( -2.578 3.506 -8.020) 9.125 9.037 ( 10.148 2.926 5.625) 11.965 9.274 ( -1.403 -10.133 -6.043) 11.881 9.666 ( 2.907 2.435 11.690) 12.290 9.921 ( -7.931 -0.743 -2.350) 8.305 9.981 ( -2.690 -2.120 -5.799) 6.735 10.277 ( 11.369 -5.114 -4.418) 13.226 10.611 ( 0.339 6.736 -4.158) 7.923 10.962 ( -1.716 -4.376 -3.232) 5.704 11.002 ( 4.005 3.912 8.082) 9.831 11.462 ( -3.143 -6.174 -3.322) 7.683 11.596 ( -4.068 8.798 2.076) 9.913 11.641 ( 1.894 3.623 1.812) 4.472 11.856 ( 3.631 7.514 4.202) 9.343 12.301 ( -6.684 -8.368 0.982) 10.754 12.781 ( 11.577 -6.275 -2.109) 13.336 13.155 ( -10.143 6.934 0.266) 12.290 13.225 ( 3.046 0.374 0.008) 3.069 13.367 ( -8.406 -1.465 1.928) 8.748 13.627 ( -7.635 -7.422 3.110) 11.093 14.011 ( 5.135 3.546 0.719) 6.281 14.084 ( 3.995 0.212 -3.166) 5.102 14.319 ( 4.874 2.270 0.864) 5.446 14.821 ( -5.198 -11.633 -4.180) 13.409 15.721 ( 0.722 -5.679 -13.992) 15.117 15.832 ( -0.313 2.461 4.888) 5.481 16.235 ( -3.425 3.470 13.408) 14.267 17.064 ( 0.332 10.048 -11.585) 15.339 17.532 ( 4.026 -10.725 16.047) 19.717 18.001 ( 19.667 0.895 -10.419) 22.274 18.207 ( -10.493 11.417 2.200) 15.662 18.702 ( -6.597 -3.435 -0.438) 7.450 19.139 ( 13.075 14.112 -2.178) 19.361 19.655 ( -3.480 -1.106 -0.574) 3.696 20.154 ( 4.991 0.779 1.738) 5.342 20.315 ( -1.715 -6.180 -1.280) 6.540 20.788 ( -10.110 -2.850 4.592) 11.464 21.011 ( 10.735 -6.432 -0.270) 12.517 21.140 ( -8.302 5.726 -1.134) 10.149 21.649 ( -5.012 -7.151 -1.687) 8.894 ======================= Grid point 126 (65/125) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 2.645 0.430 0.178) 2.685 2.276 ( 1.089 -5.598 0.921) 5.776 2.438 ( 4.919 0.374 -1.133) 5.061 2.652 ( -2.965 -2.072 3.622) 5.119 2.750 ( 1.990 0.883 -5.857) 6.249 3.013 ( 5.633 0.234 -4.740) 7.366 3.105 ( -11.490 3.628 7.052) 13.961 3.269 ( -6.155 1.802 1.778) 6.655 3.398 ( -3.806 -3.935 2.059) 5.849 3.529 ( 6.057 3.000 -0.596) 6.785 3.640 ( -2.143 3.035 2.426) 4.437 3.657 ( 2.956 -4.468 -5.698) 7.821 3.725 ( 0.294 -5.543 1.354) 5.714 3.888 ( 1.176 4.796 -7.164) 8.701 4.076 ( -6.710 8.811 6.333) 12.758 4.364 ( 5.091 -2.179 1.663) 5.782 4.549 ( -4.627 -4.076 -1.003) 6.248 4.680 ( -5.454 -1.949 -3.076) 6.558 4.900 ( 1.132 -5.591 0.063) 5.705 4.984 ( 10.589 2.234 -0.006) 10.822 5.215 ( 6.794 2.598 8.194) 10.957 5.435 ( 2.160 4.555 -10.387) 11.546 5.657 ( -1.294 -3.083 4.300) 5.447 5.741 ( -6.606 3.982 0.092) 7.714 6.169 ( 2.020 0.534 3.818) 4.353 6.180 ( 0.847 -3.261 -4.458) 5.588 6.394 ( -3.820 0.337 0.260) 3.844 7.645 ( -2.980 -0.225 -0.020) 2.989 7.749 ( 1.653 1.038 -0.027) 1.952 7.869 ( -0.053 1.857 1.035) 2.127 7.925 ( 2.791 -7.986 -1.157) 8.539 8.213 ( -2.391 2.144 0.351) 3.231 8.252 ( -1.614 -2.726 -0.241) 3.177 8.387 ( 0.964 1.905 -0.161) 2.141 8.501 ( -2.589 7.127 2.480) 7.978 8.673 ( -0.027 0.891 -3.641) 3.748 9.145 ( -0.626 -1.964 8.808) 9.046 9.247 ( 8.277 0.203 -9.310) 12.459 9.693 ( -8.853 -3.583 2.185) 9.797 9.822 ( 0.710 8.848 0.779) 8.911 9.954 ( 4.754 -5.321 -0.556) 7.157 10.377 ( 5.757 -3.248 -1.540) 6.787 10.648 ( -1.407 0.778 3.788) 4.115 10.837 ( -6.563 -1.357 -4.282) 7.954 11.170 ( 5.697 4.743 4.499) 8.671 11.359 ( 0.920 -4.885 -4.173) 6.490 11.585 ( -1.338 -2.866 0.423) 3.191 11.736 ( -1.601 12.136 0.750) 12.264 11.973 ( -13.387 -1.673 1.135) 13.538 12.082 ( 8.742 -2.477 -1.207) 9.166 12.975 ( 12.783 0.716 -1.530) 12.894 13.037 ( -7.784 -7.607 3.043) 11.301 13.209 ( -4.147 12.226 -1.495) 12.997 13.337 ( -2.373 1.798 -0.776) 3.077 13.480 ( 0.755 -4.321 0.702) 4.442 14.058 ( 0.164 -2.433 0.399) 2.471 14.198 ( 1.917 10.620 0.736) 10.817 14.394 ( 1.531 -1.531 -1.101) 2.429 14.678 ( 4.438 -10.035 -0.259) 10.976 15.617 ( -3.076 -8.629 2.726) 9.558 15.803 ( -4.066 0.855 -1.978) 4.602 16.321 ( 2.897 6.300 -1.649) 7.128 17.071 ( -5.209 7.414 3.231) 9.620 17.475 ( -1.294 -10.661 -1.917) 10.909 18.057 ( -1.663 -5.401 -1.044) 5.747 18.428 ( 10.734 10.025 1.660) 14.782 18.601 ( -0.602 1.774 -0.564) 1.957 19.412 ( -11.353 0.596 -1.090) 11.420 19.464 ( 10.463 -7.409 1.011) 12.861 20.187 ( -5.854 2.341 2.169) 6.667 20.327 ( 6.668 0.499 -4.112) 7.850 20.568 ( -10.496 -6.565 2.500) 12.630 21.032 ( -1.140 1.583 -1.243) 2.313 21.208 ( 5.469 3.691 0.753) 6.640 21.579 ( 2.730 0.640 -0.077) 2.805 ======================= Grid point 127 (66/125) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -1.839 3.255 -2.154) 4.314 2.227 ( 3.997 -11.919 6.483) 14.145 2.425 ( -7.669 -1.911 -4.189) 8.945 2.593 ( -4.482 -0.195 1.972) 4.900 2.773 ( 5.987 -2.458 -0.140) 6.473 2.928 ( -13.355 5.704 5.355) 15.478 3.102 ( 4.626 -3.103 -3.686) 6.680 3.191 ( -4.674 7.079 0.856) 8.526 3.375 ( 2.023 -1.224 0.052) 2.365 3.503 ( -4.394 -1.885 -2.981) 5.635 3.526 ( -9.420 -3.382 -2.532) 10.324 3.712 ( 3.626 -5.035 2.569) 6.716 3.813 ( 5.748 5.603 0.418) 8.038 3.962 ( 3.806 7.693 -0.756) 8.616 4.121 ( -1.597 8.951 -2.008) 9.312 4.303 ( 0.093 -5.578 -0.906) 5.652 4.476 ( -11.638 3.277 3.387) 12.556 4.646 ( 5.424 2.098 4.349) 7.262 4.894 ( 7.679 -11.407 -3.473) 14.183 5.152 ( 7.227 -1.935 -1.035) 7.553 5.318 ( -2.187 -3.109 5.787) 6.924 5.432 ( -1.817 3.566 -11.608) 12.278 5.562 ( 0.897 -1.796 0.209) 2.018 5.785 ( 0.466 6.059 5.520) 8.210 6.106 ( -3.776 0.904 -5.090) 6.401 6.193 ( -1.943 -2.888 3.589) 5.000 6.367 ( 1.573 -0.752 0.021) 1.744 7.550 ( -1.958 -10.054 -1.276) 10.322 7.737 ( -1.876 2.049 -1.063) 2.975 7.825 ( -8.080 0.254 2.702) 8.523 7.942 ( 2.521 5.474 1.846) 6.304 8.183 ( -2.028 -1.614 2.933) 3.914 8.258 ( 1.689 -4.251 -5.999) 7.544 8.512 ( 10.923 5.070 2.045) 12.214 8.574 ( 3.036 1.881 1.690) 3.952 8.703 ( 3.869 8.775 -8.178) 12.604 9.184 ( -1.279 4.703 2.572) 5.511 9.313 ( 0.106 0.117 0.787) 0.802 9.547 ( -2.936 -1.380 -0.437) 3.273 9.945 ( 3.343 5.014 1.612) 6.238 10.001 ( 9.064 -8.111 -5.550) 13.370 10.360 ( -2.966 -8.111 5.564) 10.274 10.634 ( -1.077 -3.625 9.420) 10.150 10.705 ( -4.354 3.650 -6.356) 8.525 11.205 ( -7.843 -11.373 -3.249) 14.192 11.325 ( 4.157 5.941 -2.997) 7.846 11.623 ( 3.255 7.848 3.979) 9.382 11.709 ( -9.489 -3.258 -0.343) 10.039 11.846 ( 1.452 10.504 -4.779) 11.631 12.233 ( 3.973 0.101 2.236) 4.560 12.836 ( -0.803 -13.112 1.477) 13.219 13.173 ( -0.115 9.749 -6.033) 11.466 13.282 ( 5.290 -1.964 -1.400) 5.814 13.318 ( 1.164 9.260 0.196) 9.335 13.552 ( 6.257 0.313 0.393) 6.277 14.017 ( -1.031 -4.146 2.515) 4.957 14.314 ( -0.747 6.776 -9.740) 11.888 14.318 ( -2.642 -1.949 1.677) 3.687 14.811 ( 12.619 0.058 10.523) 16.431 15.451 ( -6.182 -14.399 14.426) 21.299 15.709 ( -4.027 -2.046 -6.920) 8.264 16.422 ( 5.276 7.916 -15.446) 18.140 17.122 ( -5.834 5.963 24.532) 25.912 17.268 ( -4.610 -7.813 -13.684) 16.418 17.929 ( -2.454 -13.290 -2.443) 13.733 18.508 ( -6.596 11.932 0.605) 13.647 18.799 ( 6.281 6.756 1.949) 9.429 19.066 ( -14.598 -6.956 -1.459) 16.236 19.598 ( -0.189 1.333 2.311) 2.674 20.107 ( -4.541 -3.094 7.601) 9.379 20.307 ( -3.901 -4.257 -7.268) 9.283 20.490 ( 7.728 -0.810 2.120) 8.055 21.039 ( 5.380 -7.772 -4.079) 10.295 21.328 ( -2.263 14.569 3.550) 15.165 21.745 ( 14.288 0.130 -2.580) 14.520 ======================= Grid point 130 (67/125) ======================= q-point: ( 0.22 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -16.042 5.548 1.260) 17.021 2.054 ( 1.416 7.049 1.847) 7.424 2.372 ( -4.655 5.660 -3.147) 7.976 2.543 ( -7.095 -0.297 -1.110) 7.188 2.758 ( 11.425 0.369 0.854) 11.463 2.894 ( -1.279 0.503 1.141) 1.787 3.101 ( -4.327 3.137 2.485) 5.894 3.243 ( -5.692 3.714 0.838) 6.848 3.396 ( 3.752 -0.560 -1.458) 4.064 3.476 ( -1.937 4.138 4.128) 6.158 3.534 ( 4.104 2.147 -0.514) 4.660 3.837 ( 0.627 -4.051 2.402) 4.752 3.907 ( 5.399 -4.399 -0.165) 6.966 4.085 ( -10.381 0.519 2.780) 10.760 4.237 ( -1.880 4.683 0.628) 5.085 4.297 ( -7.032 -0.851 9.283) 11.677 4.385 ( 3.985 -1.034 -4.564) 6.146 4.576 ( -4.139 1.366 -3.285) 5.458 4.890 ( 9.646 -3.218 4.664) 11.187 4.966 ( 0.193 -5.478 -1.996) 5.834 5.174 ( 0.168 -0.135 -10.538) 10.540 5.308 ( 1.154 9.219 -17.518) 19.830 5.622 ( -0.621 -2.726 4.498) 5.296 5.974 ( -4.809 -2.653 0.920) 5.569 6.098 ( 5.188 -0.850 5.740) 7.784 6.279 ( 2.706 4.346 4.675) 6.933 6.336 ( 0.464 -2.547 -1.344) 2.917 7.308 ( -0.541 8.005 0.725) 8.056 7.669 ( -1.458 1.090 -0.335) 1.850 7.891 ( -8.268 -0.103 2.839) 8.743 8.024 ( 3.550 -0.516 1.515) 3.894 8.163 ( 1.444 -0.844 -2.860) 3.313 8.414 ( -1.663 -7.745 2.953) 8.454 8.497 ( -2.943 2.424 0.448) 3.839 8.745 ( 15.692 -9.484 -0.856) 18.355 8.972 ( 0.774 -5.487 -7.791) 9.561 9.068 ( -2.772 7.988 -9.587) 12.783 9.394 ( -4.083 2.409 -2.586) 5.400 9.520 ( -4.428 -11.491 14.479) 19.008 9.893 ( 2.472 -1.089 1.700) 3.192 9.996 ( 3.841 7.012 1.785) 8.192 10.274 ( 10.909 -0.949 -4.308) 11.768 10.419 ( -6.488 -5.339 -4.786) 9.670 10.823 ( 7.615 4.503 -3.241) 9.422 11.129 ( 2.428 3.753 2.958) 5.360 11.456 ( -13.450 -0.951 3.312) 13.885 11.496 ( 1.691 8.007 2.401) 8.529 11.792 ( -2.912 -10.087 -6.258) 12.222 11.964 ( -2.371 -0.337 -2.561) 3.506 12.299 ( -0.398 2.654 9.338) 9.716 12.762 ( 12.595 -0.343 -4.222) 13.288 13.144 ( 0.040 0.537 -1.347) 1.451 13.316 ( -2.726 -4.351 -0.362) 5.148 13.660 ( 4.643 -7.891 -3.784) 9.907 13.718 ( 1.764 6.673 2.620) 7.382 13.931 ( 1.594 -7.839 3.163) 8.602 13.967 ( -3.391 3.920 -1.529) 5.404 14.497 ( -3.889 3.112 -10.052) 11.218 14.901 ( -1.235 -20.636 6.266) 21.602 15.298 ( 14.737 2.484 2.841) 15.212 15.803 ( 5.103 4.139 7.318) 9.834 16.545 ( -7.082 5.555 8.962) 12.702 16.980 ( -6.959 -9.091 -19.041) 22.218 17.173 ( 7.086 15.374 5.679) 17.855 17.736 ( -2.594 2.688 13.283) 13.799 18.497 ( -6.107 15.509 -8.171) 18.563 18.623 ( -12.241 5.748 -1.522) 13.609 19.017 ( -5.981 -6.732 -6.013) 10.828 19.534 ( -14.712 8.697 1.579) 17.164 20.037 ( 2.065 3.939 14.338) 15.012 20.285 ( 12.617 -1.601 -1.273) 12.782 20.705 ( 8.265 -9.521 -1.928) 12.755 20.977 ( 2.634 -0.453 7.846) 8.289 21.495 ( -4.796 -3.638 -5.456) 8.124 21.906 ( 10.834 -12.823 -6.160) 17.882 ======================= Grid point 131 (68/125) ======================= q-point: ( 0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -6.258 10.401 3.629) 12.670 2.184 ( 1.030 11.647 0.570) 11.707 2.331 ( -5.763 4.236 -3.060) 7.779 2.415 ( -3.758 3.106 -2.452) 5.457 2.859 ( -1.060 -0.688 8.216) 8.313 3.027 ( 10.947 2.218 -1.277) 11.242 3.089 ( -2.770 7.388 -1.155) 7.974 3.195 ( -3.771 2.107 0.787) 4.391 3.399 ( -3.851 -2.204 2.190) 4.948 3.486 ( -1.719 1.903 -3.153) 4.064 3.600 ( 2.903 -0.619 -0.006) 2.968 3.727 ( -2.562 -5.464 1.647) 6.255 3.889 ( 0.298 -8.847 0.063) 8.852 4.014 ( -5.546 10.909 8.975) 15.176 4.201 ( -1.867 -3.803 -1.225) 4.410 4.288 ( -3.704 7.506 0.190) 8.372 4.436 ( 3.767 0.656 -2.850) 4.769 4.588 ( 5.609 -3.188 1.424) 6.607 4.876 ( -5.226 -0.634 1.371) 5.440 5.010 ( 1.829 -4.818 3.425) 6.188 5.114 ( 1.820 1.261 -10.538) 10.768 5.348 ( 1.855 4.254 -15.100) 15.797 5.612 ( -0.183 -1.248 2.801) 3.072 5.880 ( -2.447 -3.005 2.209) 4.461 6.178 ( 2.609 -1.297 5.045) 5.826 6.291 ( -1.430 -3.753 -0.815) 4.098 6.379 ( 2.311 3.633 0.965) 4.413 7.405 ( -2.374 14.147 -0.643) 14.359 7.668 ( 0.286 0.836 0.473) 1.003 7.782 ( -3.385 -1.920 3.387) 5.159 8.080 ( 4.104 -3.587 0.233) 5.455 8.151 ( 1.349 1.417 -7.749) 7.992 8.268 ( -3.731 -4.404 5.804) 8.185 8.566 ( 2.509 1.318 -1.358) 3.143 8.848 ( 4.209 -15.191 -2.280) 15.927 8.912 ( 5.381 1.442 -14.372) 15.414 9.107 ( 5.361 2.744 -2.151) 6.395 9.319 ( -12.343 -7.692 13.682) 19.967 9.401 ( 4.221 -2.564 2.230) 5.419 9.957 ( 4.120 -1.421 1.492) 4.607 10.094 ( -0.036 3.680 3.618) 5.161 10.224 ( -5.764 -7.515 -0.071) 9.471 10.478 ( 9.100 5.686 -6.639) 12.618 10.952 ( -0.144 0.094 -1.186) 1.198 11.092 ( -4.114 2.340 -3.483) 5.877 11.244 ( -8.494 0.129 1.390) 8.608 11.594 ( -0.377 1.531 -0.584) 1.682 11.758 ( 6.727 5.239 -0.340) 8.534 11.925 ( 0.056 -2.597 -3.647) 4.478 12.318 ( -2.660 0.209 9.031) 9.417 12.866 ( 0.256 -0.376 -5.212) 5.231 13.123 ( 1.067 -13.353 1.284) 13.457 13.309 ( 6.250 3.991 -1.930) 7.662 13.610 ( 3.477 -8.514 -6.181) 11.081 13.808 ( 0.595 1.987 4.865) 5.289 13.869 ( 1.268 -6.645 -0.219) 6.768 13.973 ( -2.408 4.258 -0.664) 4.937 14.345 ( -8.400 -1.728 -7.538) 11.418 14.847 ( 8.691 -10.790 11.970) 18.309 15.637 ( 15.866 2.925 4.564) 16.766 15.866 ( 0.242 0.251 0.154) 0.381 16.439 ( -12.695 -5.761 12.022) 18.408 16.826 ( -0.431 9.866 -22.748) 24.799 17.354 ( -4.905 3.546 11.480) 12.977 17.787 ( -1.661 13.158 9.100) 16.085 18.414 ( -6.496 1.224 -8.360) 10.658 18.710 ( -1.548 25.221 -1.540) 25.315 18.831 ( 1.495 -9.604 -4.796) 10.839 19.348 ( -16.408 12.386 0.358) 20.562 20.146 ( -3.811 4.032 16.651) 17.551 20.490 ( 9.595 -0.154 0.811) 9.631 20.736 ( 9.130 -12.582 -4.997) 16.329 20.991 ( -2.026 -2.038 6.570) 7.170 21.382 ( 1.356 -6.502 -5.590) 8.681 21.905 ( 8.804 -16.426 -5.424) 19.410 ======================= Grid point 132 (69/125) ======================= q-point: ( 0.44 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 3.332 11.458 5.063) 12.962 2.187 ( -5.021 3.132 -7.665) 9.684 2.367 ( 1.709 8.193 -2.826) 8.834 2.459 ( -1.545 11.131 4.367) 12.056 2.871 ( -0.627 -0.379 10.723) 10.748 3.052 ( -7.557 -1.192 -5.610) 9.487 3.111 ( -1.387 -6.691 5.482) 8.760 3.197 ( 2.055 4.422 -7.319) 8.795 3.309 ( -1.578 3.438 3.162) 4.930 3.454 ( 3.915 0.059 -13.927) 14.466 3.660 ( 1.092 0.297 4.476) 4.617 3.739 ( 2.722 0.179 5.572) 6.204 3.814 ( 1.006 -7.952 1.235) 8.110 4.085 ( -2.604 6.533 2.630) 7.509 4.148 ( -1.790 3.214 8.748) 9.490 4.299 ( -0.540 3.044 -1.469) 3.423 4.459 ( -1.056 0.317 -3.538) 3.706 4.640 ( 2.953 -2.499 0.217) 3.875 4.787 ( -4.088 -4.884 3.842) 7.438 4.907 ( -2.617 -4.498 -7.226) 8.905 5.189 ( 1.871 4.787 1.961) 5.501 5.332 ( -0.027 2.283 -13.161) 13.358 5.619 ( 1.173 0.920 -0.691) 1.643 5.861 ( 2.207 -4.492 5.037) 7.101 6.187 ( -5.643 2.294 1.937) 6.392 6.226 ( 2.784 -7.638 1.415) 8.252 6.438 ( 1.039 2.990 -1.795) 3.639 7.428 ( -4.965 3.881 -3.919) 7.421 7.722 ( 2.572 7.293 0.660) 7.761 7.798 ( 1.595 4.286 1.372) 4.775 8.099 ( 2.456 -5.928 3.075) 7.115 8.214 ( 5.018 5.007 -5.469) 8.954 8.290 ( 2.761 5.598 7.514) 9.768 8.572 ( -0.348 -2.896 -1.583) 3.319 8.639 ( -5.643 -10.988 -9.419) 15.534 8.955 ( -1.160 -9.984 -7.279) 12.410 9.124 ( -3.662 1.516 10.667) 11.379 9.230 ( 6.593 -2.904 0.031) 7.205 9.506 ( 10.548 -4.054 -0.306) 11.304 9.970 ( -9.309 1.902 5.314) 10.886 10.015 ( -3.968 -5.625 1.538) 7.053 10.151 ( 2.373 -1.671 0.256) 2.913 10.613 ( 2.057 3.844 -4.373) 6.175 10.822 ( -4.431 -0.529 -7.327) 8.579 11.038 ( -3.350 -1.951 3.561) 5.264 11.287 ( 4.319 9.744 -0.879) 10.694 11.641 ( 3.457 0.681 5.392) 6.441 11.863 ( 0.208 -6.119 -4.305) 7.484 11.911 ( 0.053 9.512 -4.420) 10.489 12.317 ( -1.718 1.092 7.400) 7.675 12.710 ( -3.978 -16.713 -3.076) 17.453 13.059 ( -0.135 1.863 0.174) 1.876 13.435 ( 2.950 1.911 -1.381) 3.777 13.638 ( 9.361 -2.263 -8.759) 13.019 13.735 ( -0.431 -13.869 1.321) 13.938 13.894 ( -3.161 6.207 -0.084) 6.966 13.945 ( -0.335 -3.333 3.112) 4.572 14.198 ( -5.497 1.616 0.715) 5.774 15.014 ( 11.544 -4.406 10.257) 16.059 15.714 ( -6.168 -1.261 -1.209) 6.411 15.972 ( 5.923 -4.917 1.719) 7.888 16.256 ( -1.326 -0.822 3.229) 3.586 16.836 ( -0.606 10.558 -14.957) 18.318 17.262 ( -9.182 -0.459 4.107) 10.069 17.855 ( -8.280 6.523 8.556) 13.576 18.461 ( 8.534 7.738 1.751) 11.652 18.777 ( -2.979 10.917 -7.488) 13.570 18.882 ( -2.100 5.109 -0.191) 5.527 19.357 ( 2.586 15.084 1.420) 15.370 20.087 ( -11.407 1.008 10.222) 15.350 20.566 ( 2.298 -9.361 4.898) 10.812 20.693 ( 3.069 -7.715 -12.803) 15.260 21.004 ( 4.244 -4.329 7.310) 9.496 21.363 ( 1.919 -1.294 -2.351) 3.299 21.844 ( 4.863 -15.053 -3.583) 16.219 ======================= Grid point 133 (70/125) ======================= q-point: ( 0.56 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 3.786 4.390 3.819) 6.942 2.127 ( -2.067 6.458 -7.559) 10.154 2.425 ( 0.315 2.844 0.161) 2.866 2.578 ( -1.010 13.123 0.356) 13.166 2.804 ( -6.153 -7.366 -6.405) 11.539 2.967 ( 2.253 -3.401 4.408) 6.006 2.996 ( -2.767 -4.687 6.591) 8.547 3.282 ( 3.852 4.708 -4.767) 7.729 3.343 ( -0.467 4.104 4.189) 5.883 3.533 ( 6.753 3.789 -11.164) 13.586 3.635 ( -0.155 -5.795 -1.283) 5.937 3.757 ( 0.328 -5.194 1.659) 5.463 3.818 ( -0.052 1.067 2.694) 2.898 4.066 ( -2.642 -1.259 5.099) 5.879 4.213 ( -5.299 1.588 4.767) 7.303 4.355 ( 6.978 6.181 1.353) 9.420 4.435 ( -3.689 5.463 3.064) 7.269 4.630 ( 0.058 -12.373 3.292) 12.803 4.672 ( -0.848 -2.273 -1.207) 2.710 4.860 ( 1.168 2.940 -0.574) 3.215 5.230 ( -1.602 2.112 -6.436) 6.961 5.313 ( 0.365 4.534 -9.014) 10.096 5.667 ( 2.072 2.363 -1.197) 3.363 5.871 ( 1.664 -6.707 7.688) 10.337 6.116 ( -5.248 3.557 3.400) 7.194 6.208 ( 2.321 -6.381 -1.074) 6.875 6.467 ( 0.535 1.913 -2.754) 3.395 7.372 ( 0.464 -0.787 -2.732) 2.881 7.790 ( -1.041 4.617 -4.687) 6.661 7.944 ( 1.546 10.384 1.501) 10.605 8.104 ( 0.880 4.187 4.624) 6.300 8.307 ( -7.118 -11.122 -9.203) 16.096 8.360 ( 6.241 3.606 -0.749) 7.247 8.468 ( 0.929 -1.992 5.899) 6.295 8.580 ( 2.275 -3.514 5.907) 7.240 8.727 ( -4.600 -4.805 -2.089) 6.972 9.133 ( -7.731 3.781 -2.303) 8.909 9.282 ( 3.293 -2.241 0.655) 4.037 9.682 ( 15.508 -5.567 -3.639) 16.874 9.757 ( -11.201 -1.743 13.164) 17.372 9.994 ( 1.056 -1.716 -1.559) 2.548 10.155 ( -1.093 -0.613 -2.631) 2.915 10.594 ( -3.244 1.583 -1.423) 3.880 10.789 ( 4.322 1.218 -13.828) 14.539 11.043 ( 0.308 0.136 10.311) 10.316 11.448 ( 2.953 7.096 -0.597) 7.709 11.721 ( -2.583 -4.185 -2.064) 5.334 11.764 ( 1.107 -0.839 8.390) 8.504 11.935 ( -5.694 10.160 -6.202) 13.195 12.325 ( -0.887 -0.560 3.965) 4.101 12.511 ( 3.360 -15.090 -0.562) 15.470 13.126 ( 1.782 6.196 -0.380) 6.458 13.455 ( -2.681 1.166 -2.481) 3.835 13.572 ( -3.641 -5.040 -0.849) 6.275 13.761 ( 7.044 -2.529 -1.175) 7.576 13.847 ( 0.586 -3.673 -0.132) 3.721 13.956 ( -1.627 2.146 4.168) 4.963 14.183 ( 0.593 0.656 3.341) 3.456 15.104 ( -3.127 -4.462 -0.514) 5.473 15.635 ( 3.684 0.164 2.695) 4.567 15.850 ( -8.203 -5.010 -9.699) 13.655 16.342 ( 3.266 2.213 4.464) 5.957 17.002 ( 8.818 4.933 -1.348) 10.193 17.107 ( -0.513 0.182 -3.119) 3.166 17.797 ( -4.803 -0.973 6.463) 8.110 18.667 ( -14.020 7.974 -5.733) 17.117 18.726 ( 9.830 8.650 -1.256) 13.154 18.964 ( -0.112 4.520 4.416) 6.320 19.581 ( 7.339 3.142 1.711) 8.165 19.965 ( -4.396 3.806 2.840) 6.471 20.418 ( -2.953 -12.044 -2.928) 12.742 20.683 ( 5.045 -2.427 -6.870) 8.862 21.042 ( 0.869 -5.115 6.616) 8.407 21.367 ( -2.539 2.648 0.237) 3.676 21.760 ( 0.272 -7.739 -0.909) 7.797 ======================= Grid point 134 (71/125) ======================= q-point: (-0.33 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -0.488 -4.947 4.105) 6.447 2.191 ( 2.140 7.351 -7.472) 10.698 2.434 ( -3.787 0.636 4.745) 6.104 2.650 ( 0.531 -6.950 -1.816) 7.203 2.696 ( 2.532 7.918 -6.373) 10.475 2.845 ( 0.557 -7.908 -4.465) 9.098 3.100 ( 2.349 5.763 6.243) 8.815 3.341 ( 4.119 -3.791 -4.616) 7.256 3.437 ( 3.191 2.833 5.398) 6.881 3.550 ( -1.283 -2.130 -3.922) 4.644 3.645 ( 2.647 3.003 -0.184) 4.007 3.694 ( -0.041 -6.104 -2.099) 6.455 3.791 ( -5.172 -3.502 4.288) 7.576 3.957 ( -9.335 5.563 2.429) 11.135 4.201 ( 3.836 -2.300 -3.066) 5.423 4.381 ( -8.470 0.753 8.584) 12.082 4.545 ( 9.068 -9.672 -5.320) 14.286 4.590 ( 1.537 5.937 4.061) 7.356 4.657 ( 2.451 -0.804 0.970) 2.756 4.982 ( 4.575 4.515 8.583) 10.723 5.144 ( -4.093 0.336 -7.356) 8.425 5.358 ( 0.782 8.563 -7.927) 11.695 5.691 ( -0.791 0.669 -0.995) 1.437 5.863 ( 1.776 -6.673 8.979) 11.327 6.093 ( -3.660 2.862 0.310) 4.657 6.189 ( 2.057 -2.275 -1.143) 3.273 6.469 ( -0.066 -0.152 -3.014) 3.019 7.437 ( 7.601 1.521 -0.985) 7.814 7.778 ( -3.749 3.829 -1.860) 5.672 7.954 ( -4.238 1.303 0.904) 4.525 8.004 ( -5.664 -13.572 -6.115) 15.927 8.317 ( 1.426 10.305 -1.252) 10.479 8.361 ( -2.204 -1.075 1.068) 2.675 8.429 ( -1.621 -5.437 5.972) 8.237 8.571 ( 6.507 0.258 -4.010) 7.648 8.791 ( -5.525 6.383 2.168) 8.716 9.018 ( -4.405 8.759 1.221) 9.880 9.240 ( -3.969 -5.781 3.928) 8.038 9.681 ( -1.177 -3.237 11.349) 11.861 9.906 ( 11.234 -0.812 -3.669) 11.846 10.000 ( 3.605 -0.912 -0.170) 3.723 10.067 ( -4.636 -1.667 -5.974) 7.743 10.599 ( 2.780 3.898 -4.963) 6.896 10.843 ( 5.182 0.143 -9.850) 11.131 11.085 ( -1.004 -0.787 13.945) 14.004 11.467 ( -3.180 -3.332 -0.569) 4.641 11.572 ( -2.704 -5.093 -3.107) 6.550 11.860 ( -1.339 6.043 9.019) 10.939 11.923 ( -2.927 10.791 -5.893) 12.639 12.305 ( -1.466 -6.017 0.405) 6.206 12.530 ( 9.147 -2.096 1.098) 9.448 13.175 ( 0.302 -3.175 1.414) 3.488 13.393 ( -5.475 10.795 -2.997) 12.470 13.489 ( -4.393 -0.481 1.087) 4.551 13.732 ( -7.550 -3.891 1.164) 8.573 13.956 ( 7.152 4.987 8.290) 12.031 13.971 ( 4.233 -1.767 -1.976) 4.994 14.233 ( 4.625 -2.871 2.341) 5.926 14.876 ( -12.002 -4.895 -5.778) 14.191 15.613 ( -4.581 -2.727 -19.417) 20.136 15.826 ( 8.941 4.139 5.173) 11.129 16.375 ( -4.666 -2.011 11.228) 12.324 17.004 ( 4.396 1.616 -6.787) 8.246 17.411 ( 14.760 -1.839 7.968) 16.874 17.735 ( 2.340 -1.681 -3.253) 4.345 18.461 ( -11.194 1.080 -3.713) 11.843 18.859 ( -7.573 2.374 0.143) 7.937 19.017 ( 8.715 4.017 2.113) 9.826 19.609 ( 0.276 -11.906 1.352) 11.986 20.052 ( 8.278 0.290 -2.661) 8.700 20.309 ( -2.214 3.373 -3.330) 5.231 20.748 ( 7.626 -0.434 -7.348) 10.599 20.971 ( -6.734 -5.040 9.382) 12.601 21.321 ( -5.551 3.244 -0.378) 6.441 21.706 ( -4.133 3.261 2.311) 5.749 ======================= Grid point 135 (72/125) ======================= q-point: (-0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 3.514 -6.178 9.472) 11.842 2.231 ( -1.021 0.190 -6.877) 6.955 2.379 ( 0.682 -2.098 2.324) 3.205 2.575 ( 1.741 -10.487 0.697) 10.653 2.773 ( 2.242 2.922 -2.815) 4.636 2.870 ( 4.560 4.588 -8.042) 10.320 3.188 ( 0.037 -1.407 -2.027) 2.468 3.342 ( 3.950 -1.934 -1.468) 4.636 3.432 ( -1.836 -8.880 0.236) 9.071 3.520 ( 0.309 -3.828 1.447) 4.104 3.631 ( -7.452 0.460 5.951) 9.548 3.660 ( -1.107 3.567 4.824) 6.101 3.739 ( 1.631 4.642 -0.754) 4.977 3.936 ( -3.922 9.690 -7.344) 12.776 4.228 ( 7.248 -10.997 1.351) 13.240 4.326 ( -4.526 8.163 2.893) 9.771 4.472 ( -4.698 -8.409 -8.548) 12.879 4.581 ( 4.797 -5.387 1.093) 7.296 4.842 ( 7.064 3.979 2.285) 8.424 4.998 ( -4.464 0.320 1.750) 4.805 5.207 ( 3.056 5.938 12.512) 14.183 5.434 ( 0.842 8.226 -7.039) 10.859 5.659 ( -1.414 -3.489 1.902) 4.218 5.860 ( -1.449 0.609 1.204) 1.980 6.055 ( 2.050 -4.300 -2.130) 5.218 6.218 ( -0.434 3.918 0.728) 4.008 6.428 ( -1.857 -2.539 -3.291) 4.553 7.633 ( 10.819 1.836 1.162) 11.035 7.693 ( -6.100 -4.444 -0.205) 7.550 7.795 ( 0.305 -9.957 -2.444) 10.258 7.923 ( -2.989 4.325 -0.784) 5.315 8.208 ( 0.851 -5.876 -3.342) 6.813 8.353 ( -4.861 -1.264 5.459) 7.418 8.495 ( -7.566 10.247 -0.390) 12.744 8.692 ( 4.290 10.963 -7.939) 14.199 8.710 ( -8.859 8.181 5.953) 13.448 9.042 ( 2.294 -2.061 -10.518) 10.961 9.223 ( 1.033 2.281 16.765) 16.951 9.654 ( 2.590 -11.815 3.669) 12.640 9.885 ( -6.063 0.259 -7.049) 9.301 9.999 ( -3.781 7.565 0.013) 8.457 10.181 ( 12.995 -2.194 2.735) 13.459 10.680 ( 0.395 0.629 0.247) 0.783 10.841 ( 1.573 -0.910 -8.103) 8.304 11.161 ( 3.112 3.314 9.686) 10.700 11.332 ( -4.613 -5.285 0.187) 7.018 11.540 ( 3.681 -1.208 -2.659) 4.699 11.902 ( -4.004 7.551 2.100) 8.801 11.944 ( -1.101 -6.513 -3.472) 7.462 12.146 ( -5.528 -1.099 -2.370) 6.114 12.769 ( 11.870 8.250 1.324) 14.516 13.110 ( -4.444 -5.709 4.421) 8.479 13.416 ( -4.333 -1.725 -2.206) 5.159 13.442 ( -4.049 13.589 -2.412) 14.383 13.522 ( -10.541 3.634 0.723) 11.173 13.990 ( 3.139 -4.374 -0.443) 5.402 14.204 ( 7.496 -1.766 12.275) 14.490 14.318 ( 6.512 5.177 0.063) 8.319 14.614 ( -8.052 -4.334 -6.502) 11.220 15.521 ( 2.863 -0.732 -13.639) 13.956 15.944 ( -4.044 1.685 5.307) 6.882 16.294 ( -1.165 -4.161 2.999) 5.260 17.116 ( 6.399 4.182 -13.201) 15.254 17.430 ( -3.803 -10.092 19.947) 22.676 17.859 ( 9.293 -8.293 -12.298) 17.504 18.396 ( 5.227 5.692 3.158) 8.348 18.737 ( -7.978 4.681 1.836) 9.430 19.187 ( 9.022 -11.722 0.130) 14.792 19.475 ( 0.180 -5.506 0.807) 5.568 20.106 ( 5.304 -10.004 -7.824) 13.763 20.363 ( -0.459 10.306 -0.940) 10.359 20.754 ( -10.957 -0.660 0.690) 10.998 20.887 ( 4.296 -4.087 1.110) 6.033 21.289 ( -1.408 6.497 0.294) 6.655 21.700 ( -6.710 11.454 4.018) 13.869 ======================= Grid point 136 (73/125) ======================= q-point: (-0.11 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 6.449 -2.149 11.456) 13.321 2.097 ( -2.581 -10.919 -1.879) 11.376 2.444 ( 0.938 1.326 -1.446) 2.174 2.565 ( 9.700 -6.151 -2.013) 11.661 2.759 ( -8.940 1.921 0.594) 9.163 2.962 ( 6.276 -1.141 -3.163) 7.120 3.093 ( -2.220 -4.207 -1.813) 5.091 3.297 ( -2.138 0.437 -0.659) 2.280 3.415 ( -0.434 0.283 -2.216) 2.276 3.497 ( 0.409 -5.562 7.256) 9.151 3.564 ( -1.349 -1.687 -1.437) 2.594 3.689 ( -5.328 5.156 -1.553) 7.575 3.814 ( 1.276 6.023 1.013) 6.240 3.951 ( 2.803 6.246 -7.758) 10.347 4.211 ( -6.679 -3.148 -8.415) 11.196 4.283 ( 5.213 -1.825 2.800) 6.192 4.444 ( 8.785 -4.984 -1.445) 10.203 4.633 ( 4.683 -1.273 2.909) 5.658 4.829 ( -11.661 4.206 6.163) 13.844 5.047 ( 4.933 -1.032 4.228) 6.578 5.336 ( -0.965 0.148 10.031) 10.079 5.454 ( 1.144 2.607 -6.132) 6.760 5.587 ( -4.745 -0.400 -0.424) 4.780 5.859 ( -1.035 5.994 -4.232) 7.410 6.065 ( 4.262 -6.708 2.569) 8.352 6.246 ( -2.206 4.790 0.532) 5.300 6.337 ( -1.637 -4.312 -3.952) 6.074 7.505 ( -4.786 -10.533 0.251) 11.572 7.727 ( 2.512 -2.536 -0.073) 3.570 7.855 ( 4.823 2.697 -0.049) 5.525 7.943 ( 3.185 0.336 2.638) 4.150 8.223 ( -0.468 0.072 -3.120) 3.155 8.304 ( -2.699 4.796 2.269) 5.953 8.388 ( -4.556 4.192 -3.790) 7.259 8.626 ( -5.356 -0.963 5.702) 7.882 8.853 ( -2.737 21.093 -7.427) 22.529 9.110 ( 9.028 -0.207 -7.785) 11.923 9.340 ( 1.094 2.306 15.610) 15.818 9.573 ( 0.815 -11.933 0.957) 11.999 9.783 ( -0.636 1.001 -9.353) 9.428 10.013 ( -2.292 4.657 0.549) 5.219 10.354 ( 2.564 -1.479 6.659) 7.287 10.588 ( -1.124 -8.124 6.680) 10.577 10.822 ( -4.501 3.089 -7.305) 9.119 11.222 ( -5.035 -6.288 0.748) 8.090 11.300 ( 4.181 5.086 0.531) 6.606 11.648 ( 6.578 6.335 -0.292) 9.137 11.716 ( -2.711 -12.505 -1.495) 12.883 11.913 ( -2.548 6.262 -3.527) 7.625 12.172 ( 3.444 2.909 -2.270) 5.047 12.895 ( -13.376 -6.824 3.804) 15.490 13.062 ( 10.849 8.086 1.231) 13.587 13.293 ( -2.191 -1.930 -4.666) 5.505 13.484 ( -3.960 10.091 -2.948) 11.234 13.535 ( -1.416 10.879 0.733) 10.995 13.981 ( 1.009 -5.489 2.880) 6.280 14.209 ( 1.800 -12.687 1.087) 12.861 14.405 ( -3.473 6.274 -8.256) 10.936 14.694 ( 12.226 9.200 12.258) 19.606 15.489 ( -3.631 -5.064 2.069) 6.565 15.793 ( -10.496 -5.323 4.952) 12.769 16.302 ( 6.192 1.545 -15.114) 16.406 17.153 ( 1.793 -1.931 -12.359) 12.637 17.372 ( -5.334 -2.272 23.527) 24.231 17.762 ( 2.176 -15.311 -8.067) 17.442 18.640 ( 6.586 5.900 0.122) 8.843 18.748 ( 3.803 7.282 -0.511) 8.231 19.078 ( -0.364 -15.686 4.817) 16.413 19.569 ( 6.436 2.700 0.138) 6.981 20.023 ( 2.798 -11.757 -7.266) 14.101 20.388 ( -6.282 -0.077 1.543) 6.469 20.569 ( -9.243 5.824 6.100) 12.513 20.875 ( 1.356 -5.008 -7.549) 9.160 21.427 ( 6.887 7.570 0.389) 10.242 21.726 ( -6.441 12.830 3.628) 14.807 ======================= Grid point 139 (74/125) ======================= q-point: ( 0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -10.744 -1.001 -2.295) 11.032 2.024 ( 4.355 6.790 3.292) 8.712 2.496 ( 2.376 3.125 8.172) 9.066 2.573 ( 4.812 -0.314 0.144) 4.824 2.663 ( -5.864 1.212 -6.014) 8.487 2.868 ( 2.713 -3.731 -6.542) 8.005 3.138 ( 9.768 0.706 7.645) 12.424 3.249 ( -0.702 -2.409 -6.519) 6.985 3.402 ( -4.864 2.416 2.957) 6.183 3.535 ( -0.926 2.143 1.418) 2.732 3.562 ( 1.276 4.431 5.585) 7.242 3.662 ( 7.682 -3.532 1.615) 8.608 3.875 ( -1.951 -2.110 -1.370) 3.184 4.122 ( 6.196 -4.366 -2.787) 8.076 4.155 ( -4.186 -4.104 -4.072) 7.138 4.364 ( -0.390 0.608 5.262) 5.311 4.530 ( 11.775 -5.625 0.718) 13.069 4.652 ( -7.269 -4.063 -3.426) 9.005 4.751 ( -7.381 5.312 3.198) 9.640 4.938 ( -3.696 8.351 -0.635) 9.155 5.207 ( -0.166 3.795 -3.422) 5.112 5.373 ( -6.660 6.907 -11.988) 15.355 5.633 ( -0.261 -1.304 4.241) 4.445 5.938 ( 3.035 -8.186 5.066) 10.094 6.038 ( 3.722 1.370 -1.586) 4.272 6.289 ( 0.561 -1.514 -2.346) 2.848 6.317 ( 0.743 2.891 5.676) 6.413 7.378 ( 1.344 8.546 2.573) 9.026 7.746 ( -3.765 2.958 0.820) 4.857 7.882 ( 6.796 -8.089 2.368) 10.827 8.013 ( -5.974 -2.245 -2.441) 6.833 8.255 ( 7.371 -4.643 2.349) 9.023 8.290 ( 0.572 0.589 6.628) 6.679 8.487 ( -4.475 2.824 -1.873) 5.613 8.574 ( -1.882 -4.444 -4.137) 6.357 8.918 ( -6.027 -2.556 -2.576) 7.036 9.131 ( -2.429 -3.747 -10.987) 11.860 9.409 ( 2.329 2.748 -5.127) 6.266 9.580 ( -4.702 -7.276 16.244) 18.410 9.932 ( -3.915 4.137 0.716) 5.740 10.010 ( 2.644 7.093 -1.492) 7.716 10.066 ( 7.685 0.028 -6.154) 9.845 10.498 ( -5.386 0.353 -1.164) 5.522 10.738 ( 5.264 3.428 -0.182) 6.285 11.134 ( 4.354 5.290 7.322) 10.028 11.476 ( 1.302 -3.090 1.008) 3.501 11.678 ( -1.392 -9.798 -10.637) 14.529 11.703 ( -4.469 2.859 8.012) 9.609 12.024 ( -4.395 -1.145 -2.511) 5.189 12.279 ( 5.043 -3.697 3.658) 7.244 12.589 ( 3.093 7.234 -3.170) 8.482 13.232 ( -0.874 2.982 -1.919) 3.652 13.329 ( -8.089 -3.603 1.040) 8.916 13.516 ( 4.094 -4.595 0.881) 6.217 13.685 ( -1.404 -5.673 1.308) 5.989 13.904 ( -0.138 0.371 2.402) 2.434 14.120 ( -3.356 11.321 -1.188) 11.867 14.476 ( 4.058 2.682 -16.357) 17.065 14.791 ( -6.054 -19.178 4.158) 20.536 15.175 ( 3.631 2.773 8.125) 9.322 15.795 ( 5.234 6.098 8.249) 11.516 16.707 ( 0.982 9.329 -0.399) 9.389 16.868 ( -3.977 -16.116 -10.061) 19.410 17.263 ( 5.605 16.207 9.433) 19.572 17.791 ( 2.582 3.023 3.957) 5.609 18.534 ( 4.189 -5.558 -10.912) 12.943 18.834 ( -4.274 2.882 1.725) 5.436 19.062 ( -5.750 -3.328 -1.207) 6.753 19.651 ( 3.210 -4.036 -0.650) 5.197 19.989 ( 11.675 3.224 2.258) 12.320 20.223 ( -2.667 5.969 2.336) 6.942 20.576 ( -0.348 -1.573 3.970) 4.284 20.991 ( -0.182 4.100 6.074) 7.330 21.475 ( -0.021 -10.210 -9.662) 14.057 21.761 ( -8.551 -0.475 -0.904) 8.612 ======================= Grid point 140 (75/125) ======================= q-point: ( 0.33 0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -9.444 5.192 2.023) 10.965 2.223 ( 4.686 9.003 0.274) 10.153 2.470 ( -6.208 -2.598 -0.629) 6.759 2.520 ( -2.930 6.283 0.067) 6.933 2.815 ( 9.821 3.588 1.633) 10.582 2.883 ( 4.727 -2.873 -3.700) 6.655 3.170 ( -1.756 3.697 -1.187) 4.261 3.326 ( -6.603 1.890 1.596) 7.051 3.355 ( 6.814 -2.943 6.835) 10.090 3.524 ( -2.921 2.708 -2.194) 4.547 3.643 ( -1.633 3.508 5.725) 6.910 3.702 ( -3.770 -7.015 -0.298) 7.969 3.778 ( 1.276 -6.323 -2.153) 6.800 3.949 ( 4.649 -7.494 -8.766) 12.435 4.233 ( -3.073 -0.602 -0.617) 3.191 4.385 ( 4.575 0.815 7.566) 8.879 4.471 ( -3.397 -4.358 -4.957) 7.423 4.669 ( -5.815 11.094 8.176) 14.958 4.813 ( 10.592 -0.872 -2.802) 10.991 4.946 ( -1.276 -0.367 2.394) 2.738 5.144 ( -7.032 2.765 -0.173) 7.558 5.344 ( -0.213 7.800 -15.900) 17.712 5.636 ( -1.240 0.811 4.567) 4.801 5.887 ( -0.493 -7.039 -0.059) 7.056 6.106 ( 2.031 -2.103 3.748) 4.753 6.274 ( 1.686 0.360 -3.655) 4.041 6.379 ( 1.073 0.579 3.488) 3.695 7.536 ( 2.539 11.230 2.784) 11.846 7.716 ( -2.877 3.396 -1.297) 4.636 7.858 ( -4.985 -2.423 -0.080) 5.543 7.940 ( 5.469 -6.135 2.930) 8.726 8.217 ( -7.956 5.112 -4.066) 10.293 8.318 ( -5.327 -2.925 4.169) 7.370 8.463 ( 13.681 -14.521 1.151) 19.984 8.531 ( 1.700 -1.027 -0.804) 2.143 8.870 ( -0.488 3.430 -11.398) 11.913 9.005 ( 1.892 -10.363 0.253) 10.538 9.377 ( -3.381 1.860 -4.755) 6.123 9.557 ( -6.183 1.468 12.726) 14.225 9.907 ( -0.533 0.006 -0.248) 0.588 9.982 ( 4.778 -7.090 -3.007) 9.063 10.329 ( 8.131 10.206 -1.445) 13.129 10.433 ( -5.737 4.945 2.322) 7.922 10.882 ( 6.552 1.819 -0.925) 6.862 11.189 ( -4.066 0.393 0.350) 4.099 11.391 ( -5.959 -5.315 1.143) 8.066 11.588 ( -0.804 -3.653 -0.740) 3.813 11.705 ( 2.239 8.522 -2.887) 9.272 11.938 ( -3.056 0.680 -0.372) 3.152 12.289 ( 2.856 -10.421 3.165) 11.259 12.789 ( 10.125 6.400 -3.019) 12.353 13.096 ( -11.033 -3.295 3.399) 12.006 13.286 ( 2.342 1.723 -3.875) 4.845 13.461 ( -1.590 -7.727 -4.438) 9.052 13.610 ( 4.975 -15.287 4.405) 16.669 13.960 ( -0.019 6.487 2.951) 7.127 14.132 ( -7.093 9.881 -4.651) 13.023 14.414 ( -4.074 -1.537 -7.703) 8.849 14.678 ( 5.910 -8.432 8.774) 13.529 15.418 ( 13.704 6.649 4.395) 15.853 15.899 ( -0.926 0.899 4.172) 4.367 16.559 ( -8.277 -14.990 -4.917) 17.816 16.848 ( 2.734 13.438 -3.419) 14.133 17.513 ( -1.304 5.141 12.878) 13.927 17.901 ( 5.889 9.590 1.547) 11.360 18.439 ( -5.478 -2.455 -13.736) 14.990 18.721 ( -2.884 -8.437 -1.736) 9.084 19.040 ( -5.222 18.955 3.110) 19.906 19.615 ( -4.004 -3.025 2.508) 5.610 20.200 ( 4.556 0.928 6.020) 7.606 20.311 ( 9.913 4.320 -8.484) 13.745 20.587 ( -0.973 -3.501 11.650) 12.203 21.055 ( 0.798 2.669 5.098) 5.810 21.271 ( -4.066 -10.094 -11.344) 15.720 21.654 ( 1.493 -7.809 -1.643) 8.119 ======================= Grid point 141 (76/125) ======================= q-point: ( 0.44 0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -1.715 7.344 3.889) 8.485 2.305 ( -4.857 5.166 -1.519) 7.252 2.393 ( 0.354 2.337 1.890) 3.026 2.598 ( 0.421 10.191 2.785) 10.573 2.905 ( 1.620 -3.016 1.203) 3.629 2.980 ( 8.043 -3.741 -3.336) 9.477 3.149 ( -8.352 -3.364 -7.146) 11.495 3.198 ( -4.363 -2.310 0.240) 4.942 3.364 ( -2.235 -1.067 3.618) 4.385 3.442 ( -3.060 8.008 -4.794) 9.822 3.648 ( 2.867 -4.436 5.536) 7.651 3.696 ( 1.320 -2.646 -2.435) 3.830 3.745 ( 2.208 2.177 4.174) 5.199 4.029 ( 9.639 -2.560 -7.892) 12.719 4.113 ( -2.863 -6.314 -2.593) 7.402 4.381 ( -1.558 -5.023 6.467) 8.336 4.502 ( 0.110 6.088 -0.499) 6.109 4.728 ( -4.362 11.968 9.711) 16.018 4.764 ( -4.029 -10.654 -4.530) 12.258 4.961 ( -2.478 1.937 -1.221) 3.374 5.179 ( 4.131 3.567 10.244) 11.607 5.345 ( -1.127 7.275 -14.841) 16.566 5.635 ( -1.488 2.373 0.081) 2.802 5.814 ( 0.144 -4.784 0.323) 4.797 6.099 ( 2.039 -7.807 3.089) 8.640 6.291 ( -2.261 2.165 1.812) 3.617 6.408 ( 2.565 0.113 -3.896) 4.666 7.559 ( -8.530 0.815 -2.280) 8.867 7.740 ( 2.242 2.654 0.923) 3.595 7.847 ( 1.086 8.302 1.498) 8.506 7.986 ( 5.075 -3.249 3.890) 7.172 8.198 ( 0.144 7.417 -6.231) 9.688 8.303 ( 3.692 3.423 3.627) 6.205 8.477 ( 4.194 -18.386 -1.874) 18.951 8.514 ( 0.394 -5.214 -3.255) 6.159 8.819 ( 3.584 -0.214 -12.285) 12.799 9.066 ( 5.970 -5.567 14.434) 16.582 9.296 ( -5.856 -1.231 2.710) 6.569 9.475 ( -6.968 4.154 -1.413) 8.234 9.899 ( 2.844 -2.709 -3.225) 5.082 10.054 ( 6.127 -0.377 1.168) 6.248 10.330 ( -13.172 4.298 9.387) 16.735 10.543 ( 7.207 6.201 -8.242) 12.583 10.894 ( -4.135 -4.684 -1.218) 6.366 11.108 ( -4.102 0.912 2.092) 4.694 11.329 ( -0.296 6.171 1.514) 6.361 11.575 ( 2.780 0.817 -0.765) 2.997 11.750 ( 2.299 -7.528 -4.587) 9.110 11.971 ( -0.862 6.578 -3.179) 7.357 12.252 ( 6.256 -10.584 2.919) 12.637 12.779 ( -13.167 -1.494 2.436) 13.474 13.066 ( 4.056 5.611 0.083) 6.924 13.339 ( 6.057 -6.106 -3.755) 9.385 13.404 ( 6.826 -1.075 -5.765) 9.000 13.577 ( 3.785 -9.923 3.281) 11.115 14.008 ( -4.012 1.965 1.566) 4.734 14.038 ( -6.396 5.152 -2.208) 8.505 14.324 ( -5.544 2.183 0.677) 5.996 14.827 ( 11.401 -1.599 9.158) 14.711 15.757 ( 14.881 4.754 4.354) 16.217 15.821 ( -6.353 -2.910 -4.109) 8.107 16.283 ( -6.326 -9.613 -0.608) 11.524 16.962 ( -4.029 13.444 -13.515) 19.484 17.427 ( -8.766 -5.562 11.587) 15.557 18.141 ( -11.917 7.945 4.744) 15.088 18.274 ( 13.210 -0.691 -3.789) 13.760 18.673 ( 5.735 -3.560 -1.874) 7.005 19.147 ( -8.975 14.905 -0.849) 17.419 19.539 ( -3.577 5.702 4.012) 7.837 20.239 ( -0.933 -1.912 0.265) 2.144 20.436 ( 5.328 -11.821 -2.273) 13.164 20.566 ( -0.546 3.335 1.941) 3.898 20.984 ( -6.342 -2.283 -1.904) 7.004 21.253 ( 8.802 -1.136 0.609) 8.896 21.637 ( 4.952 -5.736 -0.306) 7.584 ======================= Grid point 142 (77/125) ======================= q-point: (-0.44 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 1.819 2.592 2.892) 4.289 2.254 ( -5.636 6.194 0.365) 8.382 2.456 ( 0.768 2.727 3.232) 4.298 2.699 ( -1.145 6.819 0.961) 6.981 2.825 ( -6.805 -8.382 -3.784) 11.440 2.913 ( -3.445 -6.537 -3.913) 8.361 2.981 ( 4.884 -8.827 -0.586) 10.105 3.155 ( 1.599 -0.981 -2.228) 2.912 3.393 ( -0.049 3.643 -0.035) 3.643 3.522 ( 1.330 10.059 -3.486) 10.729 3.587 ( -0.178 -3.217 -0.291) 3.235 3.735 ( -0.946 -1.752 -0.353) 2.022 3.826 ( 1.621 2.611 3.927) 4.987 4.036 ( 3.668 -5.259 -5.172) 8.238 4.132 ( 10.776 -6.472 -8.902) 15.403 4.320 ( -6.052 -2.873 9.905) 11.958 4.506 ( -0.073 -7.832 5.156) 9.377 4.614 ( -2.629 1.831 -1.230) 3.431 4.806 ( -5.415 10.063 7.538) 13.690 4.924 ( -3.315 4.418 5.433) 7.748 5.267 ( -1.308 0.906 -0.541) 1.681 5.335 ( -0.878 7.251 -10.114) 12.475 5.668 ( 1.084 4.962 -2.036) 5.472 5.808 ( 2.475 -4.651 4.973) 7.245 6.068 ( 3.213 -8.221 2.456) 9.162 6.251 ( -4.597 1.919 0.743) 5.037 6.431 ( 2.178 -0.398 -5.826) 6.233 7.410 ( -5.966 0.890 -2.340) 6.470 7.794 ( 2.500 0.638 -1.337) 2.906 7.971 ( 3.561 2.122 0.654) 4.197 8.128 ( 4.907 10.701 2.935) 12.132 8.217 ( -2.695 -16.906 -6.352) 18.260 8.300 ( 3.725 5.899 -3.507) 7.809 8.448 ( 0.753 -8.316 -1.835) 8.549 8.493 ( 3.461 2.457 5.858) 7.234 8.809 ( -2.646 1.551 -2.644) 4.049 9.178 ( 9.179 -6.634 15.830) 19.464 9.264 ( -1.669 6.477 0.111) 6.690 9.416 ( 1.286 -2.091 -5.574) 6.091 9.935 ( 2.265 1.600 -2.312) 3.611 10.089 ( -11.683 4.338 4.484) 13.244 10.167 ( -4.175 -0.306 1.889) 4.593 10.661 ( 4.229 4.206 -6.778) 9.029 10.722 ( -7.334 -3.099 -3.249) 8.599 11.094 ( -1.520 2.228 5.541) 6.163 11.448 ( 3.395 5.527 -1.283) 6.613 11.649 ( 2.539 -5.663 -2.930) 6.863 11.708 ( 5.841 -3.259 4.822) 8.246 11.927 ( 2.318 -7.939 -5.300) 9.823 12.310 ( 3.390 -0.832 -0.055) 3.491 12.562 ( -12.725 4.579 3.556) 13.983 13.161 ( 0.319 4.574 -0.387) 4.602 13.387 ( 7.758 -4.631 -2.025) 9.259 13.529 ( 6.894 -4.398 0.967) 8.235 13.596 ( 4.458 3.463 -3.771) 6.789 13.884 ( -6.452 0.497 1.348) 6.610 14.039 ( -1.830 2.895 1.504) 3.740 14.249 ( -5.413 -0.183 3.526) 6.463 15.053 ( 8.150 0.744 6.118) 10.218 15.634 ( -5.425 -2.678 -6.098) 8.590 15.946 ( -4.313 1.218 2.380) 5.075 16.219 ( 9.020 -2.879 -3.084) 9.958 16.912 ( -1.112 6.988 -12.765) 14.595 17.251 ( -10.782 -4.567 5.832) 13.081 17.940 ( -9.597 -1.872 4.071) 10.592 18.565 ( 12.839 -0.868 4.070) 13.497 18.787 ( 4.146 -1.106 -3.871) 5.779 19.010 ( -6.688 0.830 1.970) 7.021 19.617 ( -2.105 7.599 1.389) 8.007 20.086 ( -8.040 -9.722 -1.826) 12.747 20.377 ( -0.102 -0.982 2.607) 2.788 20.591 ( 0.146 4.172 -10.599) 11.391 20.948 ( 4.822 -2.759 -0.583) 5.586 21.375 ( 3.839 -1.408 4.624) 6.173 21.716 ( 3.733 4.997 2.802) 6.838 ======================= Grid point 143 (78/125) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -1.839 -9.432 0.828) 9.646 2.269 ( -1.807 7.989 1.561) 8.338 2.503 ( 3.150 -3.555 0.574) 4.784 2.580 ( -7.979 -8.822 4.979) 12.895 2.679 ( -3.763 -0.912 -9.330) 10.102 2.824 ( -0.578 2.806 -1.507) 3.237 3.050 ( 10.208 -6.944 -7.004) 14.194 3.181 ( 2.131 0.177 2.298) 3.139 3.391 ( 0.434 -6.238 3.712) 7.272 3.563 ( 0.607 2.077 -3.142) 3.815 3.646 ( -1.631 -2.453 -4.282) 5.198 3.670 ( 0.615 9.009 -2.387) 9.340 3.849 ( -1.951 -1.033 3.146) 3.844 3.973 ( 4.448 -15.774 -7.670) 18.095 4.217 ( -8.259 3.171 7.786) 11.784 4.255 ( 11.422 -5.249 -3.731) 13.112 4.470 ( 0.284 -3.278 7.679) 8.355 4.643 ( 0.024 4.744 -0.624) 4.785 4.804 ( -8.260 10.450 9.087) 16.125 5.004 ( 1.082 3.210 6.744) 7.547 5.195 ( -2.816 3.100 -5.354) 6.798 5.398 ( 1.888 7.069 -3.297) 8.026 5.698 ( -0.608 1.099 -4.152) 4.338 5.810 ( 0.711 -5.418 8.164) 9.824 6.079 ( 2.780 -3.522 -1.967) 4.899 6.211 ( -1.787 2.889 1.256) 3.621 6.425 ( 1.243 -2.012 -5.658) 6.132 7.381 ( 1.090 3.565 -1.846) 4.160 7.840 ( 1.304 2.939 -2.004) 3.789 7.920 ( -5.919 -15.753 -4.349) 17.381 8.027 ( 0.750 0.593 2.895) 3.049 8.258 ( -5.836 -12.648 -6.375) 15.319 8.340 ( 7.978 -0.001 -1.701) 8.157 8.463 ( -2.201 1.103 -0.438) 2.500 8.525 ( 5.358 16.270 3.727) 17.530 8.908 ( 2.363 5.956 10.669) 12.446 9.220 ( -4.978 3.481 -0.196) 6.078 9.304 ( -3.866 2.946 2.696) 5.558 9.545 ( 17.631 -5.634 0.305) 18.512 9.843 ( -12.525 0.638 7.263) 14.493 10.029 ( -0.966 6.275 0.701) 6.387 10.112 ( -3.004 0.321 -5.036) 5.873 10.606 ( -2.393 1.236 -1.522) 3.093 10.738 ( 3.834 2.807 -8.995) 10.173 11.121 ( 0.241 0.225 5.761) 5.770 11.458 ( -0.631 -6.866 0.867) 6.949 11.577 ( -3.310 -3.215 -0.314) 4.625 11.818 ( 8.006 -4.991 -2.635) 9.795 11.956 ( 4.989 0.939 0.789) 5.137 12.287 ( -2.540 -5.642 0.003) 6.188 12.544 ( -1.708 16.537 2.482) 16.809 13.147 ( -0.888 -4.988 1.712) 5.348 13.480 ( 3.622 -0.829 -0.926) 3.829 13.549 ( -2.119 6.836 -2.477) 7.574 13.723 ( 5.354 2.310 -2.810) 6.472 13.893 ( 3.352 3.704 6.080) 7.869 14.036 ( -2.904 2.977 4.581) 6.187 14.162 ( -1.831 -5.806 2.271) 6.498 15.045 ( -9.883 1.186 -2.115) 10.176 15.646 ( 1.646 -1.529 -2.029) 3.027 15.749 ( -6.588 5.313 -13.285) 15.752 16.361 ( 7.761 -4.138 5.265) 10.250 17.029 ( -9.342 -4.006 1.189) 10.234 17.093 ( 18.006 3.145 -3.645) 18.639 17.789 ( -7.683 -3.867 4.435) 9.677 18.566 ( -9.497 -10.541 -9.493) 17.071 18.752 ( 11.253 -6.006 1.622) 12.858 19.077 ( -0.198 0.472 8.923) 8.938 19.548 ( -5.881 -5.443 -0.162) 8.015 19.871 ( 0.918 -13.395 -4.890) 14.289 20.435 ( -3.001 13.367 -2.008) 13.846 20.622 ( 5.041 3.090 -7.863) 9.838 21.015 ( 2.246 0.879 2.038) 3.157 21.396 ( -1.462 -0.830 2.997) 3.437 21.859 ( -0.701 13.495 5.374) 14.542 ======================= Grid point 144 (79/125) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 4.455 -15.372 6.734) 17.364 2.276 ( -5.274 -16.937 -4.702) 18.351 2.312 ( -1.273 3.631 -0.970) 3.969 2.544 ( -3.893 -0.896 6.303) 7.463 2.669 ( 6.521 1.426 -1.657) 6.878 2.881 ( 1.534 7.590 -7.621) 10.865 3.079 ( 5.883 -7.922 -8.181) 12.818 3.236 ( 3.872 -2.822 0.550) 4.823 3.352 ( 1.146 -6.066 3.733) 7.214 3.495 ( -2.379 -7.327 -3.720) 8.555 3.611 ( 1.665 -1.995 -3.886) 4.675 3.765 ( 2.143 2.569 -2.439) 4.140 3.794 ( -0.652 -3.034 -1.951) 3.666 3.902 ( 2.896 -7.224 7.266) 10.648 4.157 ( -8.506 9.016 1.471) 12.483 4.346 ( 7.452 -5.423 -0.722) 9.244 4.510 ( -1.897 5.156 1.057) 5.595 4.611 ( -7.017 0.312 -2.167) 7.350 4.843 ( -0.655 7.966 7.100) 10.691 5.020 ( 1.012 -1.421 3.975) 4.341 5.287 ( 2.248 8.739 6.063) 10.871 5.490 ( 1.058 5.790 -0.270) 5.892 5.655 ( -1.105 -1.260 -1.398) 2.183 5.815 ( 2.389 -5.145 6.952) 8.973 6.028 ( -2.569 0.170 -10.877) 11.177 6.259 ( 1.399 2.551 2.023) 3.544 6.390 ( 0.077 -3.232 -4.138) 5.251 7.484 ( 7.305 0.547 -0.360) 7.334 7.679 ( -3.543 -10.858 -1.701) 11.547 7.815 ( -7.810 -2.372 1.402) 8.282 8.013 ( -1.024 3.356 -3.061) 4.656 8.115 ( 2.192 -1.542 -3.917) 4.746 8.367 ( 0.284 -5.843 6.481) 8.731 8.539 ( 7.021 3.201 -7.804) 10.974 8.791 ( 0.636 20.661 0.575) 20.679 8.929 ( -6.378 -2.344 4.404) 8.098 9.148 ( -10.267 11.775 -2.910) 15.892 9.294 ( 0.283 0.121 8.119) 8.125 9.556 ( -4.480 -10.507 4.747) 12.369 9.901 ( 11.602 -3.397 2.752) 12.399 9.991 ( -4.695 2.565 -3.944) 6.647 10.146 ( -0.095 11.496 2.254) 11.715 10.659 ( 4.232 4.927 -1.282) 6.620 10.757 ( 1.207 -1.027 -8.117) 8.270 11.166 ( 2.965 -0.416 5.012) 5.838 11.355 ( -3.156 -7.587 4.379) 9.312 11.500 ( -2.157 0.740 -1.059) 2.514 11.849 ( 4.089 -7.084 -8.682) 11.928 12.029 ( -1.167 3.452 5.130) 6.293 12.143 ( -4.342 -7.349 -4.042) 9.444 12.791 ( 5.001 19.977 2.922) 20.800 13.095 ( 0.608 -5.584 3.252) 6.490 13.438 ( -3.169 -3.711 -1.707) 5.170 13.613 ( -1.810 9.891 -4.466) 11.003 13.770 ( -5.877 7.814 -0.947) 9.823 13.917 ( -1.214 -0.975 -0.364) 1.599 14.070 ( 3.262 -10.765 10.038) 15.076 14.259 ( 11.355 10.356 8.759) 17.689 14.815 ( -16.856 3.436 -4.216) 17.711 15.453 ( -3.432 2.198 -18.376) 18.823 15.911 ( 8.994 3.677 -4.874) 10.870 16.358 ( -6.405 -9.791 13.221) 17.655 16.956 ( 5.787 -0.340 -6.086) 8.405 17.407 ( 11.965 -2.947 4.936) 13.274 17.632 ( -2.885 -8.499 0.048) 8.976 18.324 ( 0.798 -8.482 -7.124) 11.105 18.840 ( 5.125 -7.940 -3.197) 9.976 19.031 ( -5.511 -0.694 9.008) 10.583 19.372 ( -0.880 -14.113 3.437) 14.552 19.817 ( 9.026 -13.583 -8.610) 18.441 20.484 ( -3.185 10.973 -4.024) 12.114 20.737 ( 4.482 4.969 -6.491) 9.322 21.033 ( -6.509 4.072 9.026) 11.849 21.363 ( -2.344 3.112 -1.781) 4.284 21.988 ( -5.540 17.795 5.700) 19.490 ======================= Grid point 145 (80/125) ======================= q-point: (-0.11 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 11.667 -15.900 17.213) 26.177 2.008 ( 0.179 -17.197 -8.294) 19.094 2.364 ( 2.742 5.608 -2.652) 6.782 2.500 ( -2.456 -0.683 3.664) 4.464 2.803 ( 6.956 0.052 -0.284) 6.962 2.913 ( -1.655 2.557 -5.811) 6.561 3.040 ( -0.356 -6.059 -2.165) 6.444 3.253 ( 4.002 -8.946 3.162) 10.298 3.340 ( 2.124 -1.490 -5.384) 5.976 3.393 ( 3.388 -6.729 -1.353) 7.655 3.616 ( 2.407 -0.769 -5.246) 5.823 3.700 ( 1.214 -9.370 -2.645) 9.812 3.836 ( 1.497 4.009 -2.515) 4.964 3.988 ( 6.234 -1.222 9.342) 11.297 4.081 ( -10.586 9.185 -6.180) 15.317 4.317 ( -8.451 -0.515 -3.900) 9.322 4.513 ( 4.996 3.854 -0.574) 6.336 4.557 ( -3.365 2.410 4.721) 6.279 4.951 ( 4.145 -1.756 6.806) 8.160 5.058 ( -2.541 3.960 8.317) 9.556 5.388 ( 1.732 2.656 -0.986) 3.321 5.500 ( -6.235 2.771 4.384) 8.110 5.661 ( -1.164 2.810 3.303) 4.490 5.866 ( 5.546 -1.775 2.966) 6.535 5.940 ( -0.894 -0.724 -11.203) 11.262 6.272 ( 0.393 -4.016 -6.324) 7.502 6.345 ( -2.404 1.831 2.228) 3.754 7.467 ( -1.373 -12.905 3.949) 13.565 7.666 ( 2.806 -0.049 -0.575) 2.865 7.710 ( 3.741 -0.530 -1.555) 4.086 8.046 ( -3.884 8.518 -1.612) 9.500 8.157 ( 4.472 1.673 -3.253) 5.777 8.327 ( -2.694 -4.560 5.336) 7.519 8.616 ( -2.743 4.009 -0.333) 4.869 8.772 ( -6.515 1.322 -5.058) 8.353 8.910 ( -0.135 8.458 -6.940) 10.942 9.160 ( -5.089 18.268 -1.335) 19.010 9.314 ( 3.890 -8.115 -0.747) 9.030 9.478 ( -1.355 -1.813 17.030) 17.180 9.863 ( -5.029 0.993 -4.544) 6.850 10.035 ( 2.858 -3.120 1.566) 4.512 10.334 ( 5.123 11.069 5.286) 13.293 10.605 ( -7.092 -7.515 2.598) 10.655 10.834 ( 3.676 5.635 -9.413) 11.570 11.237 ( 1.943 -4.387 6.185) 7.827 11.288 ( 1.286 2.328 2.045) 3.355 11.513 ( 0.802 -2.132 -3.343) 4.046 11.704 ( -3.096 -6.456 -4.985) 8.725 12.021 ( -4.461 4.726 -5.877) 8.762 12.078 ( 5.311 -4.386 1.105) 6.976 13.026 ( -0.037 -0.087 6.706) 6.707 13.109 ( 0.201 13.400 0.053) 13.401 13.270 ( -6.781 -4.947 -5.618) 10.100 13.623 ( -2.973 4.676 -2.129) 5.935 13.740 ( -6.167 12.426 -4.125) 14.473 13.930 ( 0.769 0.830 3.054) 3.257 14.049 ( 3.478 -12.340 7.243) 14.725 14.490 ( -5.946 -2.731 -7.255) 9.770 14.715 ( 5.673 20.923 12.791) 25.171 15.460 ( 3.799 2.875 -8.281) 9.554 15.957 ( -7.579 -3.496 2.283) 8.653 16.153 ( -0.947 -8.941 -2.658) 9.376 17.053 ( 4.308 2.018 -12.293) 13.182 17.449 ( 1.011 -12.697 22.306) 25.687 17.534 ( 2.755 -7.827 -8.403) 11.810 18.420 ( 15.442 -4.872 -3.311) 16.527 18.722 ( -1.840 -13.156 -4.770) 14.115 19.021 ( -0.456 4.920 6.652) 8.286 19.365 ( 12.282 -10.975 2.647) 16.682 19.776 ( 6.540 -15.045 -7.946) 18.228 20.511 ( -4.215 6.025 1.861) 7.585 20.768 ( -3.501 4.526 -7.033) 9.067 20.944 ( -10.812 5.110 7.079) 13.897 21.405 ( 2.361 6.263 -2.785) 7.249 22.059 ( -9.622 17.897 4.675) 20.850 ======================= Grid point 148 (81/125) ======================= q-point: ( 0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 17.902 1.019 -3.885) 18.347 2.226 ( 1.554 -8.290 2.994) 8.950 2.303 ( 2.841 -2.693 0.419) 3.937 2.564 ( 4.146 -2.223 0.561) 4.737 2.707 ( -2.726 3.150 -3.637) 5.530 2.821 ( -3.583 1.764 0.145) 3.997 2.986 ( 10.405 4.835 5.624) 12.778 3.260 ( 2.873 -1.474 -3.330) 4.638 3.373 ( 9.483 -3.391 0.614) 10.090 3.433 ( 5.606 -2.919 6.712) 9.219 3.564 ( 0.166 -1.719 3.707) 4.090 3.736 ( 9.223 -0.437 1.160) 9.306 3.771 ( -3.934 1.347 0.005) 4.158 4.014 ( -0.819 2.530 -7.633) 8.083 4.178 ( -8.546 -6.644 -2.669) 11.149 4.333 ( 7.248 4.745 0.741) 8.695 4.464 ( -7.267 -5.426 7.869) 12.007 4.629 ( -0.106 -1.774 -4.252) 4.608 4.914 ( -5.397 3.598 -3.192) 7.230 5.104 ( -1.717 2.383 -9.105) 9.567 5.284 ( -4.845 7.532 4.988) 10.251 5.549 ( -8.821 4.507 -7.697) 12.545 5.614 ( 1.333 0.217 3.368) 3.628 5.879 ( -1.205 -5.587 11.902) 13.203 5.922 ( 7.186 -0.578 -8.346) 11.028 6.239 ( 4.496 -0.525 5.701) 7.279 6.369 ( -2.326 1.021 -1.245) 2.829 7.463 ( 2.324 8.616 2.927) 9.391 7.672 ( 7.483 -7.716 -0.862) 10.784 7.814 ( -2.208 -5.678 1.834) 6.363 7.985 ( 1.994 -1.967 1.372) 3.120 8.096 ( -1.383 1.682 -0.707) 2.290 8.432 ( -3.676 5.850 8.219) 10.737 8.448 ( 6.882 -1.732 -6.409) 9.563 8.788 ( -16.297 7.659 1.064) 18.038 8.997 ( 1.463 -10.990 -4.332) 11.903 9.122 ( -16.102 -2.010 -0.371) 16.231 9.333 ( 5.155 -1.503 1.676) 5.625 9.620 ( 0.155 -2.518 -2.673) 3.675 9.904 ( 3.515 0.080 1.333) 3.760 10.010 ( 1.714 4.288 -7.107) 8.476 10.180 ( -11.287 7.397 -2.989) 13.822 10.593 ( -1.789 5.263 7.025) 8.958 10.716 ( -0.128 0.101 -0.408) 0.439 11.144 ( 4.250 4.977 6.890) 9.503 11.400 ( 1.642 -5.076 -2.918) 6.081 11.572 ( -1.231 -5.296 -9.634) 11.063 11.720 ( 7.067 0.332 10.115) 12.344 12.056 ( -3.218 -4.806 2.008) 6.122 12.126 ( 6.436 -3.935 -1.807) 7.757 12.819 ( -13.878 14.063 -1.449) 19.810 13.136 ( 6.247 -2.396 -2.851) 7.272 13.408 ( 1.867 -5.989 2.644) 6.808 13.560 ( -10.427 3.218 4.167) 11.681 13.756 ( -10.148 -3.205 1.721) 10.780 13.904 ( 1.220 1.604 0.441) 2.062 14.147 ( 9.604 -0.121 -3.122) 10.099 14.432 ( -1.603 13.737 -16.128) 21.246 14.779 ( -13.333 -15.916 1.451) 20.813 15.257 ( -2.977 3.142 11.237) 12.042 15.821 ( 2.989 6.769 9.303) 11.887 16.561 ( 8.117 -8.743 -18.648) 22.137 16.855 ( -0.807 -0.061 9.752) 9.785 17.354 ( 4.875 11.903 8.315) 15.317 17.728 ( 5.635 -3.824 -8.795) 11.123 18.260 ( 14.280 -3.440 1.651) 14.781 18.795 ( 9.970 -2.506 3.965) 11.018 19.101 ( -5.894 -5.326 -1.884) 8.164 19.434 ( 13.786 -7.385 -5.634) 16.623 19.760 ( 16.363 1.056 -0.820) 16.418 20.413 ( -9.447 5.573 7.195) 13.117 20.683 ( -6.424 3.913 2.325) 7.873 21.110 ( -6.426 3.445 -2.435) 7.687 21.355 ( -1.735 -6.275 -1.357) 6.650 22.040 ( -18.598 4.156 -2.312) 19.197 ======================= Grid point 149 (82/125) ======================= q-point: ( 0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -2.583 1.684 -3.441) 4.621 2.206 ( 6.602 6.774 -1.877) 9.644 2.382 ( 5.798 -7.570 -0.290) 9.539 2.587 ( 4.676 -3.038 -0.735) 5.624 2.769 ( -2.959 4.063 -2.801) 5.754 2.788 ( 1.938 5.316 5.319) 7.765 3.159 ( 4.871 -3.305 1.514) 6.079 3.295 ( 2.943 6.227 6.105) 9.204 3.400 ( -1.399 -5.757 2.475) 6.420 3.543 ( 6.336 -1.272 -0.579) 6.489 3.638 ( 4.440 0.828 0.886) 4.602 3.713 ( -2.280 4.798 2.708) 5.963 3.803 ( -3.915 -6.967 -10.934) 13.543 3.865 ( -12.929 -3.802 3.944) 14.042 4.223 ( 18.900 3.683 0.419) 19.260 4.310 ( -5.427 -7.888 7.221) 11.992 4.435 ( -3.144 -3.865 -3.408) 6.037 4.585 ( 6.008 2.235 -0.125) 6.411 4.892 ( -3.428 7.231 -4.787) 9.325 5.034 ( -5.170 0.097 -4.288) 6.717 5.321 ( -2.924 6.965 2.363) 7.915 5.392 ( -7.258 3.802 -8.453) 11.773 5.665 ( 2.778 -0.475 0.726) 2.910 5.807 ( -2.890 -6.911 8.961) 11.679 6.062 ( 7.157 2.356 -3.119) 8.155 6.250 ( -2.264 0.017 -2.827) 3.622 6.369 ( 1.561 -2.194 5.143) 5.805 7.611 ( 1.398 9.077 3.153) 9.710 7.726 ( 3.475 -5.753 -4.056) 7.850 7.769 ( 7.253 -2.852 1.494) 7.935 7.921 ( -4.571 -0.003 -0.307) 4.581 8.172 ( 6.618 -1.547 2.256) 7.161 8.408 ( -9.267 -6.309 -1.975) 11.384 8.472 ( -0.182 -2.443 3.334) 4.138 8.571 ( -15.255 10.550 5.245) 19.275 8.852 ( -1.425 -10.723 -9.625) 14.479 8.932 ( -2.635 3.322 5.009) 6.562 9.410 ( -0.175 3.356 -12.249) 12.702 9.614 ( 6.208 -2.661 10.427) 12.423 9.837 ( -2.452 -7.763 -1.675) 8.312 10.008 ( -6.792 1.299 -1.043) 6.994 10.253 ( 7.864 11.717 -7.252) 15.866 10.634 ( -5.247 7.313 7.385) 11.643 10.771 ( 6.014 -2.411 2.029) 6.790 11.242 ( -1.440 1.772 -0.838) 2.432 11.355 ( 0.907 -4.839 -4.864) 6.921 11.518 ( 3.801 1.030 0.193) 3.943 11.835 ( -0.888 1.811 8.439) 8.676 11.934 ( -1.226 -8.354 1.355) 8.552 12.156 ( 1.078 -4.742 -3.188) 5.815 12.790 ( -2.682 13.842 -1.987) 14.239 13.175 ( 3.311 -5.693 -5.692) 8.705 13.342 ( -8.888 -4.403 6.922) 12.095 13.425 ( -2.259 -2.609 3.172) 4.688 13.531 ( -9.633 -3.747 -1.077) 10.392 13.982 ( 3.788 2.821 0.490) 4.748 14.297 ( 5.865 0.859 -0.424) 5.943 14.406 ( -9.152 5.727 -14.368) 17.972 14.546 ( 2.783 -4.506 3.723) 6.474 15.374 ( 3.828 8.084 8.756) 12.517 15.941 ( 0.236 2.095 6.056) 6.413 16.403 ( 1.334 -16.142 -14.020) 21.422 16.955 ( 0.873 7.563 11.881) 14.111 17.572 ( 2.563 1.644 3.678) 4.774 17.793 ( 11.402 0.449 -7.034) 13.405 18.428 ( 3.027 5.768 -2.586) 7.009 18.755 ( -7.759 -5.696 -1.234) 9.704 19.163 ( 10.866 5.309 3.606) 12.620 19.510 ( 3.534 -4.140 -4.171) 6.857 20.030 ( 13.264 -1.415 3.569) 13.809 20.365 ( -6.017 5.893 -0.853) 8.465 20.659 ( -2.753 0.199 11.210) 11.545 20.979 ( 0.383 -7.877 -8.774) 11.797 21.284 ( -3.888 1.454 0.695) 4.209 21.744 ( -15.280 0.174 -2.776) 15.531 ======================= Grid point 150 (83/125) ======================= q-point: ( 0.44 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -4.356 3.727 2.122) 6.113 2.351 ( 5.688 -1.398 -8.689) 10.479 2.405 ( 0.872 3.173 4.447) 5.532 2.677 ( 2.333 3.686 6.147) 7.537 2.724 ( 2.743 -3.412 -9.120) 10.117 2.919 ( 2.126 2.781 7.355) 8.145 3.178 ( -0.481 -4.211 -2.421) 4.881 3.283 ( -6.701 -5.033 0.661) 8.407 3.400 ( -2.522 -4.459 2.620) 5.754 3.533 ( -0.507 0.976 -1.224) 1.645 3.600 ( 1.627 1.305 1.767) 2.733 3.667 ( -4.653 0.809 -1.891) 5.087 3.772 ( 7.460 -0.834 -4.820) 8.921 3.819 ( 0.382 3.655 2.156) 4.260 4.141 ( -8.686 -4.502 -1.861) 9.958 4.342 ( 2.469 -5.462 4.412) 7.443 4.526 ( 4.822 7.084 0.372) 8.577 4.714 ( -2.171 -6.376 -7.027) 9.734 4.858 ( 7.856 -0.791 5.484) 9.613 4.977 ( -3.655 8.138 0.767) 8.954 5.304 ( -5.711 4.940 9.739) 12.323 5.361 ( 0.219 5.781 -12.904) 14.142 5.696 ( 4.441 -8.873 -1.310) 10.008 5.723 ( -4.875 2.429 2.910) 6.175 6.094 ( -4.014 -1.545 3.856) 5.776 6.270 ( 6.022 1.971 -7.008) 9.448 6.371 ( -0.639 -3.141 3.540) 4.776 7.647 ( -0.129 -2.290 -0.191) 2.302 7.745 ( -0.310 -0.188 0.381) 0.526 7.879 ( 2.482 0.503 0.340) 2.555 7.917 ( 1.892 4.178 -0.661) 4.634 8.218 ( 2.369 -4.019 -0.161) 4.668 8.246 ( 1.071 -0.853 0.300) 1.402 8.401 ( -4.593 1.566 -2.289) 5.365 8.472 ( -5.531 1.236 5.293) 7.755 8.707 ( 0.204 -6.898 -6.825) 9.706 9.057 ( 2.989 6.120 10.303) 12.351 9.343 ( -2.715 1.843 -12.047) 12.486 9.658 ( -8.493 -4.429 6.675) 11.675 9.820 ( 6.420 0.540 0.853) 6.499 9.947 ( 3.326 1.192 -0.071) 3.533 10.433 ( 5.847 4.692 -8.858) 11.605 10.614 ( -7.515 4.092 9.247) 12.598 10.817 ( 3.500 -6.685 -2.314) 7.893 11.200 ( -3.432 1.847 2.250) 4.500 11.342 ( 3.362 0.694 -3.228) 4.712 11.593 ( 1.422 -0.461 -0.451) 1.561 11.722 ( -10.451 -0.111 2.199) 10.680 11.988 ( 4.113 -16.523 -0.172) 17.028 12.075 ( 1.670 10.385 -0.701) 10.542 12.958 ( 2.386 10.531 0.478) 10.808 13.100 ( 4.237 -11.667 -6.044) 13.806 13.143 ( -9.916 1.228 7.145) 12.284 13.360 ( -3.258 -2.560 -2.892) 5.053 13.473 ( 3.512 0.843 1.507) 3.913 14.054 ( 1.396 0.773 0.713) 1.747 14.214 ( -9.716 2.483 -0.647) 10.049 14.389 ( 1.503 -0.561 -0.800) 1.793 14.671 ( 8.533 4.599 0.485) 9.705 15.585 ( 10.003 3.636 4.388) 11.513 15.875 ( -4.818 -5.284 -8.107) 10.810 16.265 ( -1.473 -6.512 4.309) 7.946 17.091 ( -0.476 8.927 1.275) 9.031 17.484 ( -3.491 -9.778 -2.869) 10.771 18.035 ( 13.225 -1.863 1.181) 13.407 18.437 ( -10.972 7.523 0.709) 13.322 18.602 ( -1.597 2.125 -0.657) 2.739 19.414 ( -9.019 -1.201 -1.356) 9.199 19.462 ( 13.773 1.693 1.278) 13.936 20.205 ( 5.700 -2.537 1.195) 6.352 20.295 ( -2.759 0.887 -1.633) 3.326 20.585 ( -1.973 -7.344 0.650) 7.632 21.024 ( 8.589 -3.036 -0.415) 9.119 21.214 ( -9.381 7.275 0.221) 11.873 21.579 ( -1.104 1.753 -0.003) 2.072 ======================= Grid point 151 (84/125) ======================= q-point: (-0.44 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -2.054 0.721 3.471) 4.097 2.378 ( -0.654 2.082 0.339) 2.208 2.457 ( 1.185 -2.599 4.020) 4.931 2.690 ( 6.181 -6.165 -14.473) 16.902 2.781 ( -0.522 2.231 2.352) 3.283 2.859 ( -6.140 -10.381 4.791) 12.978 2.971 ( -9.157 0.256 -4.255) 10.100 3.186 ( -1.378 -2.195 3.956) 4.729 3.405 ( 0.863 0.555 -0.014) 1.026 3.527 ( 0.014 -4.547 -0.574) 4.583 3.631 ( 1.180 2.847 -0.063) 3.082 3.697 ( 2.332 4.011 0.660) 4.687 3.852 ( 4.463 -7.105 -8.876) 12.214 3.898 ( 3.573 7.535 4.680) 9.562 3.946 ( -6.045 -2.296 -6.037) 8.846 4.410 ( 2.265 -1.530 13.426) 13.702 4.428 ( -5.274 -10.126 -7.067) 13.427 4.640 ( 0.899 3.639 -3.924) 5.426 5.006 ( -0.491 4.146 0.089) 4.176 5.054 ( -0.908 9.225 12.922) 15.903 5.289 ( -2.763 -1.657 5.020) 5.965 5.392 ( -0.338 6.326 -7.455) 9.783 5.670 ( 4.551 -3.270 2.646) 6.197 5.725 ( 0.655 2.020 -6.832) 7.154 6.020 ( -3.194 -3.267 7.777) 9.020 6.306 ( -0.677 -4.961 -3.810) 6.291 6.360 ( 1.859 2.825 -2.928) 4.473 7.556 ( -8.563 2.091 -2.185) 9.081 7.729 ( 2.144 -2.820 0.954) 3.668 7.916 ( 3.980 -0.103 -3.086) 5.037 7.984 ( 5.093 -13.093 3.247) 14.419 8.194 ( -0.820 2.083 -2.649) 3.468 8.321 ( 2.967 5.930 -1.573) 6.815 8.381 ( -3.118 0.327 -1.993) 3.715 8.499 ( 3.955 7.014 5.026) 9.492 8.736 ( 8.601 0.757 0.098) 8.635 9.111 ( -2.675 -3.616 9.054) 10.110 9.313 ( 0.039 3.270 -4.689) 5.716 9.488 ( -6.784 -0.793 1.770) 7.056 9.905 ( 3.353 6.060 -2.935) 7.522 10.111 ( 5.996 3.344 1.859) 7.113 10.414 ( -9.209 0.421 -0.547) 9.235 10.596 ( 0.968 2.163 0.185) 2.377 10.753 ( -0.408 -6.962 -2.707) 7.481 11.193 ( -3.419 4.669 4.182) 7.140 11.438 ( 8.187 -2.892 -2.798) 9.123 11.514 ( -5.492 -5.403 1.040) 7.774 11.662 ( 0.769 6.344 2.105) 6.728 11.792 ( -2.729 -13.629 -2.357) 14.098 12.259 ( 4.337 4.368 -2.431) 6.618 12.875 ( -13.434 7.183 4.614) 15.917 13.127 ( 11.880 -7.429 -1.958) 14.148 13.210 ( -1.187 3.507 -0.742) 3.776 13.367 ( 9.317 2.594 1.589) 9.801 13.569 ( 3.557 4.083 -0.602) 5.449 14.046 ( -4.898 1.400 2.759) 5.794 14.089 ( -5.384 2.177 -2.323) 6.254 14.346 ( -4.607 -2.763 1.931) 5.708 14.915 ( 12.120 5.243 2.689) 13.477 15.677 ( -5.795 -4.683 -9.412) 12.004 15.824 ( 15.690 -2.503 -1.503) 15.960 16.209 ( -7.086 2.069 7.897) 10.810 17.024 ( -9.740 4.577 -17.824) 20.821 17.346 ( -3.100 -10.204 10.888) 15.241 18.072 ( -5.219 -2.203 -5.845) 8.139 18.387 ( 4.241 -5.316 11.966) 13.764 18.705 ( 3.572 7.234 -0.830) 8.111 19.122 ( -11.072 -13.857 -0.898) 17.760 19.649 ( 3.478 -1.026 -1.143) 3.802 20.105 ( -7.461 -3.724 -8.981) 12.255 20.345 ( 4.575 -1.160 8.850) 10.030 20.598 ( 6.284 3.810 -6.597) 9.875 20.967 ( -9.659 6.318 -5.894) 12.959 21.267 ( 7.530 -2.660 6.917) 10.565 21.729 ( 6.734 12.079 3.586) 14.286 ======================= Grid point 152 (85/125) ======================= q-point: (-0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -6.185 -9.974 0.493) 11.747 2.301 ( -2.272 -14.791 -5.078) 15.803 2.394 ( -0.715 -2.697 3.182) 4.232 2.692 ( 1.651 -4.405 -1.547) 4.952 2.749 ( 4.446 -0.921 -1.067) 4.664 2.796 ( -9.762 3.990 -2.365) 10.808 2.855 ( 0.179 2.044 -1.701) 2.666 3.173 ( -0.181 -2.425 5.992) 6.467 3.334 ( -1.355 -9.029 0.826) 9.168 3.537 ( 0.522 -3.151 -3.161) 4.494 3.590 ( 1.790 -14.664 -4.018) 15.310 3.725 ( -2.512 0.571 -5.596) 6.160 3.811 ( 0.125 7.556 -2.375) 7.922 3.872 ( 0.990 -0.108 -0.087) 1.000 4.078 ( 5.439 4.940 2.519) 7.768 4.307 ( 1.334 1.168 -4.840) 5.155 4.478 ( -0.165 -3.736 13.963) 14.455 4.680 ( 0.729 4.734 -3.849) 6.145 5.010 ( -2.667 2.325 3.902) 5.267 5.140 ( -7.270 7.096 8.295) 13.115 5.238 ( 0.343 0.116 5.060) 5.073 5.409 ( 0.381 4.890 -5.585) 7.433 5.706 ( -1.093 1.704 -5.925) 6.262 5.771 ( 3.984 -1.951 3.282) 5.518 6.016 ( 1.651 -0.948 7.222) 7.469 6.217 ( -0.529 -3.966 -7.485) 8.487 6.383 ( -0.006 1.004 -2.453) 2.650 7.445 ( -5.321 2.764 -2.850) 6.639 7.773 ( 5.229 -1.385 -1.218) 5.544 7.814 ( -1.261 -16.002 -1.510) 16.122 8.020 ( 2.099 3.815 2.469) 5.005 8.173 ( -0.178 -7.380 -2.743) 7.876 8.312 ( -3.148 3.246 -5.722) 7.293 8.508 ( 3.818 -0.990 7.618) 8.578 8.602 ( 2.558 15.032 1.462) 15.318 8.917 ( 4.130 3.231 2.605) 5.856 9.164 ( 9.913 -6.095 11.836) 16.599 9.306 ( 3.359 3.636 -6.671) 8.307 9.461 ( -4.532 6.266 3.001) 8.295 10.018 ( 1.089 4.217 -4.650) 6.371 10.152 ( -2.958 2.083 -3.787) 5.237 10.220 ( -12.569 4.711 6.981) 15.130 10.645 ( 1.447 2.767 -7.716) 8.324 10.694 ( 0.288 -1.535 3.157) 3.522 11.175 ( -4.738 3.482 0.087) 5.881 11.376 ( 0.942 -11.805 5.250) 12.954 11.545 ( 5.339 -0.643 -3.947) 6.671 11.642 ( -0.494 -7.828 -1.654) 8.016 11.837 ( 9.462 4.394 5.128) 11.625 12.262 ( -1.128 -5.020 -3.540) 6.245 12.815 ( -7.381 15.416 3.143) 17.378 13.121 ( -2.036 -6.137 1.168) 6.571 13.339 ( 10.751 0.695 -1.634) 10.896 13.599 ( 6.333 7.811 0.763) 10.085 13.648 ( 2.205 1.924 0.797) 3.033 13.984 ( -4.620 6.370 4.637) 9.134 14.066 ( 0.889 1.398 -3.476) 3.850 14.210 ( -6.484 -5.275 2.419) 8.702 15.151 ( 4.107 6.206 2.128) 7.740 15.568 ( 1.188 1.097 -4.631) 4.905 16.003 ( -9.684 2.692 -4.151) 10.874 16.093 ( 8.320 -5.012 -6.469) 11.670 16.908 ( 3.310 1.361 -4.973) 6.126 17.179 ( -10.185 -7.251 5.895) 13.823 17.915 ( -7.926 -1.206 -1.545) 8.165 18.469 ( 7.560 -12.711 6.871) 16.307 18.572 ( -9.195 -16.131 -6.687) 19.736 19.023 ( 6.446 -2.280 8.887) 11.213 19.541 ( -2.789 -17.140 -0.987) 17.394 19.854 ( -11.933 -2.419 -11.507) 16.753 20.514 ( 7.580 5.805 3.481) 10.162 20.676 ( -5.363 13.430 -9.831) 17.487 20.964 ( 4.815 5.709 -0.373) 7.478 21.381 ( 4.196 -0.886 5.103) 6.666 22.006 ( 4.789 17.212 5.361) 18.653 ======================= Grid point 153 (86/125) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -3.506 -19.310 -0.972) 19.650 2.058 ( -0.745 -27.449 -2.692) 27.591 2.377 ( 1.542 -3.431 0.288) 3.773 2.631 ( -6.662 1.869 -6.859) 9.742 2.701 ( -4.123 2.484 10.952) 11.963 2.831 ( 6.860 -2.089 -7.246) 10.195 2.890 ( 3.278 3.684 -8.059) 9.448 3.131 ( -0.983 -10.274 4.025) 11.078 3.221 ( 1.740 -13.588 -3.597) 14.164 3.452 ( 6.602 -9.797 1.935) 11.971 3.504 ( -3.980 -1.123 -1.741) 4.487 3.670 ( -1.934 -1.081 -3.984) 4.559 3.905 ( -1.454 11.005 0.754) 11.127 3.950 ( 2.362 4.432 7.125) 8.717 4.153 ( 4.211 -3.632 -2.293) 6.015 4.354 ( -3.512 4.509 0.114) 5.717 4.518 ( 4.793 1.810 5.898) 7.813 4.709 ( -2.379 5.417 -4.159) 7.232 4.939 ( -3.539 -7.631 -2.718) 8.840 5.109 ( -5.114 9.070 10.189) 14.568 5.357 ( 1.501 8.837 4.355) 9.966 5.454 ( 4.121 -2.443 3.421) 5.887 5.677 ( -1.322 0.628 1.337) 1.983 5.799 ( -0.283 1.269 0.471) 1.383 6.031 ( -1.722 0.138 -5.558) 5.821 6.184 ( 4.403 -4.184 -7.050) 9.305 6.379 ( -0.578 0.862 1.427) 1.765 7.388 ( 0.511 -5.710 -1.430) 5.909 7.653 ( -2.785 -4.339 -1.900) 5.495 7.880 ( 4.981 0.916 -0.888) 5.142 7.985 ( -5.911 -6.985 -3.544) 9.812 8.109 ( 1.283 6.196 2.383) 6.761 8.303 ( 0.716 -1.977 1.141) 2.392 8.534 ( -0.577 5.416 -1.450) 5.636 8.858 ( 6.699 -0.200 1.147) 6.800 8.987 ( 1.415 9.554 4.590) 10.693 9.277 ( 4.774 -3.435 3.602) 6.897 9.405 ( -6.539 2.744 5.638) 9.060 9.491 ( 5.518 4.552 -2.263) 7.503 9.887 ( -8.411 0.482 3.073) 8.967 10.070 ( -4.475 0.554 -5.402) 7.036 10.297 ( 0.167 14.931 4.029) 15.466 10.646 ( 0.193 4.651 -3.262) 5.684 10.733 ( 0.910 1.844 -2.135) 2.964 11.125 ( -1.117 -0.559 -2.104) 2.447 11.332 ( 0.885 -7.006 7.441) 10.258 11.550 ( -1.052 -1.744 3.645) 4.175 11.630 ( 6.839 -5.181 -8.729) 12.239 12.029 ( 3.586 -0.658 5.375) 6.495 12.142 ( -2.291 -4.867 -4.817) 7.221 12.949 ( 0.981 18.179 2.341) 18.355 13.035 ( -0.333 -6.901 1.761) 7.130 13.435 ( 0.379 0.874 -2.203) 2.401 13.644 ( 0.089 -0.868 -0.828) 1.202 13.781 ( 6.771 0.810 1.548) 6.993 14.010 ( -3.800 6.387 -2.390) 7.807 14.065 ( -4.462 0.652 1.117) 4.646 14.213 ( 8.578 6.985 10.986) 15.591 15.160 ( -12.186 10.643 1.590) 16.257 15.564 ( -13.664 1.316 -15.976) 21.064 15.775 ( 4.870 6.080 -9.847) 12.556 16.252 ( 11.867 -11.810 5.872) 17.743 16.939 ( -7.712 -4.394 -0.583) 8.895 17.128 ( 16.045 0.964 3.193) 16.388 17.726 ( -12.185 -5.784 4.283) 14.152 18.169 ( -3.795 -17.504 -12.588) 21.892 18.550 ( 10.325 -15.201 2.872) 18.599 19.101 ( 0.796 -12.822 15.398) 20.053 19.316 ( -0.721 -13.153 -0.896) 13.203 19.582 ( -7.222 -4.874 -15.119) 17.450 20.650 ( -3.034 10.848 -9.907) 15.001 20.716 ( 2.401 8.721 3.030) 9.539 21.141 ( 4.097 8.578 2.442) 9.815 21.422 ( -1.417 1.387 1.330) 2.388 22.257 ( -0.340 19.815 5.032) 20.447 ======================= Grid point 154 (87/125) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 12.616 -20.624 7.685) 25.369 1.726 ( -0.801 -29.558 -2.875) 29.708 2.378 ( 9.507 -12.311 -8.580) 17.765 2.522 ( -6.218 3.891 -2.511) 7.753 2.701 ( 0.077 -2.363 7.065) 7.451 2.901 ( 3.724 -1.541 -0.934) 4.137 2.945 ( 3.075 0.105 -7.318) 7.938 3.068 ( 6.776 -7.940 2.391) 10.709 3.128 ( 2.417 -9.281 -4.603) 10.638 3.378 ( -6.065 -3.500 -2.106) 7.312 3.559 ( 6.772 0.777 -0.799) 6.863 3.614 ( -1.989 0.978 -0.837) 2.369 3.936 ( -6.183 4.447 2.241) 7.939 4.031 ( -0.779 3.698 9.456) 10.184 4.231 ( 6.742 -2.582 0.106) 7.220 4.315 ( -2.150 5.284 -2.620) 6.277 4.597 ( -10.924 4.798 -9.713) 15.385 4.649 ( 1.033 3.997 2.563) 4.860 4.865 ( 3.560 -7.070 6.167) 10.034 5.175 ( -1.748 6.944 8.078) 10.795 5.380 ( -1.266 -0.122 -6.809) 6.927 5.601 ( 5.757 1.833 16.353) 17.433 5.699 ( 0.647 0.251 5.995) 6.035 5.801 ( -1.612 3.803 -1.906) 4.550 5.943 ( -3.411 1.342 -15.160) 15.597 6.167 ( 2.273 -5.779 -7.371) 9.638 6.397 ( -0.226 1.193 3.211) 3.433 7.325 ( 2.931 -12.219 3.088) 12.939 7.626 ( 1.349 2.312 -4.387) 5.139 7.746 ( -7.173 -2.870 2.072) 7.999 8.074 ( 5.565 4.813 -2.931) 7.920 8.203 ( 0.533 9.493 -2.384) 9.802 8.300 ( 1.918 -4.966 4.402) 6.908 8.572 ( 0.866 2.882 -4.010) 5.014 8.851 ( -1.032 -2.725 -0.564) 2.968 9.005 ( -7.718 -3.705 -5.469) 10.159 9.306 ( -0.689 9.845 3.468) 10.460 9.442 ( -10.817 12.113 -5.206) 17.054 9.526 ( 7.755 -1.211 15.642) 17.501 9.869 ( -1.203 -1.686 2.097) 2.948 9.993 ( -1.185 -0.214 -0.490) 1.300 10.445 ( -0.950 12.963 4.235) 13.670 10.682 ( -4.853 -0.072 -4.184) 6.408 10.777 ( 5.384 7.776 -3.148) 9.968 11.128 ( 3.973 -2.446 -1.486) 4.896 11.312 ( -0.393 -2.031 6.466) 6.789 11.564 ( 0.483 2.822 1.499) 3.232 11.615 ( -1.316 -7.367 -6.424) 9.863 11.937 ( 0.353 -8.163 -2.053) 8.425 12.120 ( -2.125 2.363 -2.507) 4.048 12.986 ( 1.969 -6.898 2.977) 7.767 13.172 ( 3.644 11.544 -2.063) 12.280 13.395 ( -4.266 3.280 -1.729) 5.652 13.618 ( -0.357 -4.730 1.168) 4.885 13.880 ( 4.898 -5.056 4.399) 8.301 13.961 ( -7.718 10.809 -5.475) 14.366 14.071 ( -3.458 9.574 3.444) 10.746 14.478 ( 4.527 -0.303 5.961) 7.491 15.014 ( -10.733 18.526 1.007) 21.434 15.401 ( 0.424 5.817 -11.182) 12.612 15.916 ( 5.361 4.352 -10.842) 12.854 16.182 ( -8.094 -18.720 13.473) 24.444 16.910 ( 8.326 1.377 -7.381) 11.211 17.386 ( -1.648 -4.652 -6.339) 8.033 17.421 ( 0.436 -12.160 17.741) 21.512 18.076 ( 12.292 -8.398 -7.642) 16.734 18.513 ( 3.480 -19.058 -5.221) 20.065 18.992 ( 9.584 -23.412 5.676) 25.927 19.224 ( -9.152 9.482 -0.027) 13.178 19.459 ( 8.454 -15.625 -2.122) 17.891 20.666 ( -3.901 10.289 -4.511) 11.892 20.830 ( 0.194 6.408 1.276) 6.537 21.215 ( -8.065 5.854 6.416) 11.853 21.422 ( 0.947 5.316 -5.502) 7.709 22.413 ( -6.739 19.298 3.511) 20.740 ======================= Grid point 184 (88/125) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -0.000 0.000 31.362) 31.362 0.815 ( -0.000 0.000 31.362) 31.362 1.529 ( -0.000 0.000 60.486) 60.486 2.382 ( 0.000 -0.000 -16.476) 16.476 2.382 ( 0.000 -0.000 -16.476) 16.476 2.916 ( -0.000 0.000 1.583) 1.583 2.980 ( -0.000 0.000 3.812) 3.812 2.980 ( -0.000 0.000 3.812) 3.812 3.334 ( 0.000 -0.000 -3.977) 3.977 3.493 ( 0.000 0.000 -3.592) 3.592 3.493 ( 0.000 -0.000 -3.592) 3.592 3.749 ( 0.000 0.000 -3.066) 3.066 3.749 ( 0.000 -0.000 -3.066) 3.066 3.875 ( -0.000 0.000 1.738) 1.738 4.373 ( 0.000 -0.000 -2.150) 2.150 4.441 ( -0.000 0.000 1.701) 1.701 4.441 ( -0.000 0.000 1.701) 1.701 4.853 ( 0.000 -0.000 -35.496) 35.496 5.025 ( -0.000 0.000 6.229) 6.229 5.025 ( -0.000 0.000 6.229) 6.229 5.375 ( -0.000 0.000 3.923) 3.923 5.375 ( -0.000 0.000 3.923) 3.923 5.884 ( 0.000 -0.000 -4.720) 4.720 5.884 ( 0.000 -0.000 -4.720) 4.720 5.933 ( -0.000 0.000 1.268) 1.268 6.118 ( 0.000 -0.000 -1.256) 1.256 6.581 ( -0.000 0.000 11.497) 11.497 6.801 ( 0.000 -0.000 -7.645) 7.645 7.855 ( 0.000 0.000 -3.521) 3.521 7.855 ( 0.000 -0.000 -3.521) 3.521 7.909 ( -0.000 0.000 13.037) 13.037 8.015 ( -0.000 0.000 1.071) 1.071 8.015 ( 0.000 0.000 1.071) 1.071 8.906 ( 0.000 -0.000 -4.742) 4.742 9.116 ( -0.000 0.000 5.003) 5.003 9.116 ( -0.000 0.000 5.003) 5.003 9.182 ( -0.000 0.000 0.377) 0.377 9.182 ( 0.000 0.000 0.377) 0.377 9.323 ( -0.000 0.000 7.256) 7.256 10.200 ( -0.000 0.000 5.713) 5.713 10.200 ( -0.000 0.000 5.713) 5.713 10.846 ( 0.000 -0.000 -9.312) 9.312 10.846 ( 0.000 -0.000 -9.312) 9.312 10.972 ( 0.000 -0.000 -1.945) 1.945 10.972 ( 0.000 -0.000 -1.945) 1.945 11.026 ( 0.000 -0.000 -18.839) 18.839 11.326 ( 0.000 -0.000 -3.546) 3.546 11.741 ( -0.000 0.000 1.503) 1.503 11.741 ( -0.000 0.000 1.503) 1.503 12.094 ( -0.000 0.000 19.678) 19.678 12.693 ( -0.000 0.000 0.515) 0.515 13.105 ( 0.000 -0.000 -1.773) 1.773 13.395 ( -0.000 0.000 4.120) 4.120 13.395 ( -0.000 0.000 4.120) 4.120 14.236 ( -0.000 0.000 0.249) 0.249 14.236 ( -0.000 0.000 0.249) 0.249 14.376 ( -0.000 0.000 0.231) 0.231 14.473 ( 0.000 -0.000 -4.620) 4.620 15.287 ( 0.000 -0.000 -0.471) 0.471 16.148 ( -0.000 0.000 1.342) 1.342 16.148 ( -0.000 0.000 1.342) 1.342 16.791 ( 0.000 -0.000 -4.682) 4.682 16.791 ( 0.000 -0.000 -4.682) 4.682 17.476 ( -0.000 0.000 0.064) 0.064 17.494 ( -0.000 0.000 -0.023) 0.023 17.494 ( 0.000 0.000 -0.023) 0.023 17.723 ( 0.000 -0.000 -0.476) 0.476 17.723 ( 0.000 -0.000 -0.476) 0.476 17.760 ( -0.000 0.000 1.513) 1.513 20.961 ( -0.000 0.000 2.510) 2.510 20.961 ( -0.000 0.000 2.510) 2.510 21.188 ( 0.000 -0.000 -0.746) 0.746 21.474 ( 0.000 -0.000 -1.196) 1.196 21.474 ( 0.000 -0.000 -1.196) 1.196 23.101 ( -0.000 0.000 0.671) 0.671 ======================= Grid point 185 (89/125) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -0.404 11.451 27.274) 29.583 1.153 ( 17.335 3.236 24.000) 29.782 2.053 ( 19.975 7.874 41.920) 47.098 2.313 ( 2.833 3.069 -12.968) 13.624 2.399 ( 4.936 4.463 -14.682) 16.120 2.868 ( -3.624 -2.376 4.544) 6.279 2.987 ( 0.087 0.696 2.745) 2.833 3.043 ( 3.449 0.253 2.092) 4.041 3.204 ( -7.496 -4.005 -1.718) 8.671 3.413 ( -4.802 1.190 0.488) 4.971 3.577 ( 3.502 -0.586 -2.842) 4.547 3.605 ( 1.880 -6.345 -3.363) 7.424 3.854 ( -0.882 4.848 -0.388) 4.943 3.965 ( 7.492 6.519 -8.846) 13.299 4.331 ( -2.500 -0.533 -2.647) 3.680 4.391 ( -4.252 -0.353 4.103) 5.919 4.497 ( 3.298 -2.472 3.830) 5.627 4.730 ( 2.604 0.489 -33.224) 33.329 4.959 ( -4.090 -2.429 2.943) 5.594 5.082 ( -1.104 -0.885 9.634) 9.737 5.190 ( -7.626 -3.348 -3.661) 9.098 5.573 ( 5.579 4.365 8.992) 11.448 5.798 ( -3.700 0.867 -7.958) 8.819 5.842 ( -0.691 -6.876 -3.363) 7.686 6.010 ( 2.681 2.954 3.009) 4.997 6.154 ( 3.613 2.214 -3.880) 5.745 6.533 ( -5.385 -3.666 11.721) 13.410 6.847 ( 6.070 3.863 -6.747) 9.863 7.735 ( -5.104 2.153 0.043) 5.539 7.885 ( -3.202 -0.963 1.052) 3.505 8.022 ( 8.397 -5.170 0.581) 9.878 8.090 ( 9.877 0.917 2.558) 10.244 8.151 ( 3.705 7.135 -5.176) 9.562 8.740 ( -9.054 -8.242 -3.456) 12.722 8.924 ( -7.150 -9.371 4.798) 12.726 9.055 ( 3.240 -8.330 -0.859) 8.979 9.228 ( -6.434 15.156 0.585) 16.475 9.330 ( 5.186 7.019 0.935) 8.777 9.586 ( 12.694 -0.125 3.907) 13.282 10.092 ( -11.603 -3.037 6.376) 13.583 10.216 ( -0.398 -1.571 5.581) 5.812 10.638 ( -11.650 -1.967 -10.233) 15.630 10.828 ( -2.024 -3.400 -4.023) 5.643 10.890 ( 1.045 1.468 -4.471) 4.820 10.952 ( 1.900 -2.016 -5.183) 5.877 11.079 ( 2.698 1.267 -12.111) 12.472 11.388 ( 3.742 3.731 -4.459) 6.914 11.741 ( 2.537 -0.669 0.980) 2.801 11.799 ( 2.390 3.112 2.671) 4.746 12.200 ( 2.636 -3.074 15.673) 16.188 12.722 ( 2.503 0.969 -2.189) 3.464 13.163 ( 3.922 4.621 -0.600) 6.090 13.405 ( 2.734 -3.494 1.568) 4.705 13.475 ( 0.530 6.306 3.386) 7.177 14.092 ( -10.234 -7.435 -0.742) 12.672 14.199 ( -0.878 -2.830 -0.721) 3.050 14.354 ( -1.404 -1.322 0.189) 1.938 14.386 ( -6.004 -3.199 -4.050) 7.917 15.401 ( 7.679 2.460 0.183) 8.066 15.944 ( -12.916 -6.553 2.197) 14.649 15.998 ( -13.428 -3.039 4.997) 14.646 16.693 ( -17.684 -9.470 6.121) 20.973 16.760 ( 2.215 -3.249 -1.139) 4.094 17.179 ( -1.779 11.716 2.875) 12.194 17.371 ( -2.420 6.781 0.774) 7.242 17.553 ( 7.535 -8.722 -2.171) 11.729 17.845 ( 13.426 0.245 -1.990) 13.574 18.029 ( 25.392 14.325 -1.996) 29.223 18.425 ( 25.064 14.879 -7.293) 30.046 20.764 ( -26.714 -5.392 22.914) 35.605 20.878 ( -5.840 -5.030 0.991) 7.771 21.044 ( -1.560 2.405 -1.450) 3.213 21.373 ( -6.965 -4.219 -1.781) 8.336 21.502 ( 3.062 -4.153 -1.518) 5.378 22.928 ( -12.970 -7.545 -1.073) 15.043 ======================= Grid point 186 (90/125) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 7.300 15.832 17.104) 24.423 1.604 ( 17.979 6.428 13.026) 23.114 2.189 ( 3.616 -2.012 -17.191) 17.682 2.472 ( 4.084 7.766 -12.999) 15.684 2.792 ( 5.918 0.425 16.271) 17.319 2.843 ( 10.554 7.183 20.157) 23.860 2.971 ( -3.800 -1.599 3.955) 5.713 3.068 ( 2.421 -1.126 3.559) 4.449 3.165 ( 5.503 2.431 -1.128) 6.121 3.357 ( -0.623 -2.538 1.302) 2.920 3.586 ( 0.669 -5.108 -2.011) 5.530 3.610 ( 2.636 2.800 4.548) 5.955 3.892 ( 1.102 3.941 -3.554) 5.420 4.111 ( 6.190 6.702 -14.019) 16.726 4.244 ( -6.382 -0.731 -0.254) 6.429 4.339 ( -2.467 -0.911 3.153) 4.106 4.519 ( 1.192 -5.254 5.868) 7.966 4.652 ( -1.490 1.587 -22.228) 22.334 4.875 ( 0.258 -4.006 -3.973) 5.648 5.032 ( -4.617 1.661 6.526) 8.165 5.097 ( -0.568 -1.488 -5.560) 5.784 5.593 ( -10.628 -1.613 -5.754) 12.192 5.692 ( -2.062 -1.558 3.057) 4.003 5.861 ( 7.543 0.282 0.073) 7.549 6.064 ( 1.036 -0.642 2.950) 3.192 6.232 ( 3.139 2.086 -0.901) 3.875 6.450 ( -4.502 -3.536 6.856) 8.932 7.010 ( 8.798 6.182 -4.459) 11.640 7.726 ( -2.214 6.304 1.141) 6.779 7.832 ( -1.133 -2.872 3.474) 4.648 8.005 ( -0.567 -9.441 -0.981) 9.509 8.249 ( 3.478 3.406 -6.731) 8.307 8.286 ( 8.304 3.618 0.879) 9.100 8.548 ( 0.187 -7.913 -0.113) 7.916 8.769 ( -6.996 -1.603 4.951) 8.719 9.012 ( 1.197 -6.210 -6.673) 9.194 9.273 ( -1.208 8.074 -5.287) 9.726 9.407 ( -0.877 -1.453 2.836) 3.305 9.676 ( -5.186 -3.053 6.642) 8.963 9.910 ( -3.612 -2.078 4.562) 6.178 10.181 ( -6.673 1.047 4.550) 8.145 10.415 ( -7.083 -1.361 -6.544) 9.739 10.713 ( -7.683 0.519 -6.074) 9.807 10.817 ( -0.759 -7.678 -3.314) 8.397 11.029 ( 4.481 0.459 -5.576) 7.168 11.102 ( 6.996 0.292 -3.827) 7.980 11.451 ( 0.825 4.440 0.833) 4.592 11.823 ( 4.673 3.773 -3.507) 6.955 11.899 ( 3.920 1.132 2.480) 4.775 12.216 ( -0.104 -6.493 11.875) 13.534 12.784 ( 4.051 1.400 -3.710) 5.669 13.257 ( 1.574 -0.415 1.286) 2.074 13.392 ( -3.349 -0.894 0.839) 3.566 13.551 ( 0.268 3.573 1.710) 3.970 13.845 ( -5.773 -4.956 -2.378) 7.972 14.132 ( -6.666 -2.178 0.723) 7.049 14.202 ( -5.873 -3.923 -3.311) 7.801 14.327 ( 2.536 -3.524 -4.126) 5.989 15.433 ( -4.959 -4.262 -0.365) 6.548 15.654 ( -15.833 -0.949 11.454) 19.565 15.851 ( -4.351 -4.760 3.765) 7.468 16.403 ( -8.334 3.702 3.700) 9.841 16.790 ( 8.297 -10.917 0.009) 13.712 17.226 ( -7.080 15.151 -9.528) 19.248 17.611 ( 3.495 10.745 13.520) 17.620 17.708 ( 23.652 -3.087 -0.368) 23.855 18.130 ( 16.141 7.341 -5.641) 18.608 18.604 ( 24.298 12.813 -5.690) 28.052 18.870 ( 19.026 5.445 -1.971) 19.888 20.399 ( -22.401 1.780 20.840) 30.647 20.690 ( -10.744 -5.779 3.480) 12.686 21.045 ( -1.184 1.191 -1.108) 2.012 21.149 ( -10.778 -7.071 -0.744) 12.912 21.486 ( 1.931 -5.112 -2.644) 6.070 22.547 ( -17.779 -10.305 -5.017) 21.153 ======================= Grid point 187 (91/125) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 9.698 15.944 9.286) 20.844 1.926 ( 8.215 2.566 0.065) 8.607 2.228 ( 8.520 2.443 -8.342) 12.172 2.541 ( 0.864 3.361 -3.269) 4.768 2.768 ( -1.299 -2.270 0.760) 2.724 2.921 ( -1.387 0.242 6.917) 7.059 3.062 ( 2.196 3.509 2.550) 4.862 3.203 ( 4.171 3.460 1.482) 5.618 3.341 ( 2.534 -5.549 0.212) 6.104 3.366 ( 8.638 -1.262 4.721) 9.925 3.520 ( -3.052 -2.599 1.228) 4.192 3.846 ( 8.400 5.706 12.827) 16.360 3.937 ( 2.440 1.239 0.586) 2.798 4.094 ( -2.909 0.441 -2.764) 4.037 4.172 ( 0.608 0.443 -6.693) 6.736 4.310 ( 0.699 -4.454 0.414) 4.528 4.510 ( -5.107 0.825 -0.986) 5.267 4.542 ( -1.591 7.050 -3.399) 7.986 4.884 ( 5.354 -4.005 -6.189) 9.111 5.043 ( -0.316 -0.192 -6.434) 6.445 5.071 ( 3.238 3.858 -0.199) 5.040 5.281 ( -16.291 -5.897 -6.938) 18.663 5.663 ( -0.180 -1.410 -0.436) 1.486 6.011 ( 4.196 5.020 3.479) 7.411 6.065 ( 0.919 -3.903 0.624) 4.058 6.274 ( -0.731 -1.907 8.006) 8.262 6.366 ( -2.887 -1.484 -1.849) 3.736 7.204 ( 6.388 5.375 -0.395) 8.358 7.694 ( -4.176 0.623 -0.207) 4.228 7.868 ( 4.268 -1.633 2.364) 5.145 7.963 ( 3.949 1.272 3.007) 5.124 8.247 ( -3.754 0.479 0.448) 3.810 8.375 ( 3.038 -6.769 -4.901) 8.892 8.583 ( 3.696 3.879 3.426) 6.360 8.736 ( -0.997 2.698 0.803) 2.987 8.895 ( -0.340 -7.814 -11.380) 13.809 9.229 ( -15.288 -0.995 2.435) 15.513 9.325 ( 4.399 -0.327 -6.268) 7.664 9.607 ( 0.301 -2.341 8.688) 9.003 9.917 ( 0.956 -0.709 3.195) 3.409 10.053 ( -10.626 3.845 0.944) 11.340 10.269 ( -5.227 -6.891 -2.497) 9.002 10.582 ( -7.261 8.056 -6.187) 12.486 10.715 ( 0.272 -7.766 -4.146) 8.808 11.046 ( 3.234 -5.764 3.132) 7.314 11.292 ( 10.879 3.205 -1.468) 11.436 11.543 ( 2.223 6.716 5.225) 8.795 11.895 ( -1.235 0.213 -6.385) 6.507 11.931 ( 3.268 0.459 -2.638) 4.225 12.257 ( 3.805 -1.043 10.527) 11.242 12.786 ( -4.820 -3.777 -3.679) 7.144 13.136 ( -5.462 -4.535 -0.792) 7.144 13.371 ( 0.006 2.480 0.509) 2.532 13.575 ( 3.789 -4.039 0.348) 5.549 13.775 ( -4.131 -2.482 0.445) 4.839 13.960 ( -6.323 0.704 -0.906) 6.427 14.105 ( -5.276 0.651 -0.404) 5.331 14.345 ( 6.795 -3.939 -9.558) 12.371 15.248 ( -10.535 0.735 -2.091) 10.766 15.473 ( -15.261 4.794 19.028) 24.859 15.729 ( -1.243 -10.844 5.825) 12.372 16.445 ( 4.977 2.400 -4.587) 7.181 16.841 ( 10.789 -10.987 -0.692) 15.414 17.205 ( -8.737 16.045 -9.682) 20.677 17.743 ( 4.238 -4.998 14.415) 15.835 18.204 ( 19.474 16.763 2.495) 25.816 18.470 ( 14.968 8.747 -5.881) 18.307 18.962 ( 10.780 2.726 -6.971) 13.124 19.285 ( 21.675 6.384 1.225) 22.629 20.175 ( -13.591 1.693 8.225) 15.976 20.428 ( -14.120 -6.232 7.855) 17.319 20.858 ( -11.266 -5.328 -4.995) 13.425 21.025 ( -3.009 -3.919 7.280) 8.799 21.477 ( 3.452 -0.809 -5.023) 6.148 22.112 ( -16.763 -9.377 -6.319) 20.220 ======================= Grid point 188 (92/125) ======================= q-point: ( 0.67 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 6.062 2.241 2.642) 6.982 1.991 ( 2.301 10.828 -2.187) 11.283 2.407 ( 7.786 0.627 3.948) 8.752 2.539 ( -0.637 -2.416 4.087) 4.791 2.738 ( -3.340 5.690 -4.484) 7.978 2.909 ( -2.513 -1.712 2.851) 4.169 3.153 ( 0.741 -2.010 2.499) 3.291 3.247 ( -2.446 -3.637 -8.103) 9.212 3.345 ( 5.664 3.988 2.193) 7.266 3.449 ( 4.242 -1.805 -0.563) 4.644 3.502 ( 2.943 -0.860 5.972) 6.712 3.785 ( -10.662 -5.476 2.044) 12.159 3.898 ( -0.305 0.499 -2.093) 2.173 4.099 ( -1.997 -4.854 -0.382) 5.263 4.264 ( 1.490 -7.511 -0.100) 7.658 4.337 ( -0.725 4.829 -1.405) 5.082 4.503 ( 5.654 4.414 4.104) 8.264 4.666 ( 6.744 9.086 -1.339) 11.394 4.878 ( -5.255 -6.370 -1.636) 8.418 4.893 ( -11.288 5.275 1.691) 12.574 5.071 ( 6.011 -2.470 -11.027) 12.800 5.211 ( 7.584 5.666 -2.672) 9.836 5.657 ( 0.416 -0.814 0.384) 0.991 6.012 ( -1.467 -4.897 -1.805) 5.421 6.090 ( -3.772 3.136 4.266) 6.501 6.254 ( 0.957 -1.585 0.805) 2.018 6.324 ( -0.857 -1.814 3.290) 3.854 7.295 ( 1.141 0.929 2.211) 2.656 7.706 ( 2.913 2.702 1.689) 4.317 7.947 ( 5.290 -0.977 2.388) 5.886 8.106 ( -6.660 2.974 4.366) 8.501 8.161 ( 4.434 1.696 1.060) 4.864 8.345 ( 5.214 -5.710 -0.843) 7.779 8.557 ( -11.020 -5.110 -0.748) 12.170 8.642 ( -8.941 0.788 -3.135) 9.507 8.896 ( 9.894 -1.312 -8.428) 13.063 9.086 ( -1.006 7.202 -1.230) 7.375 9.371 ( 1.536 -0.763 -4.788) 5.086 9.646 ( 5.428 -7.109 3.334) 9.546 9.924 ( -0.426 -2.839 4.661) 5.474 9.942 ( -9.028 8.030 2.607) 12.360 10.103 ( -2.879 -3.356 -4.994) 6.670 10.563 ( -3.771 8.359 -2.791) 9.585 10.659 ( 1.826 -3.915 -1.495) 4.571 11.066 ( 2.646 -4.735 7.477) 9.237 11.453 ( 5.429 -0.683 -0.284) 5.480 11.710 ( 4.091 5.332 9.885) 11.953 11.795 ( -4.857 0.142 -8.820) 10.069 11.979 ( 3.511 -0.682 -7.146) 7.991 12.331 ( -0.426 -0.534 6.576) 6.611 12.535 ( -8.226 -6.123 -3.738) 10.915 13.145 ( 5.511 1.551 -2.260) 6.155 13.399 ( -0.258 2.647 1.116) 2.885 13.603 ( -4.410 -1.402 -2.971) 5.499 13.628 ( 2.916 -7.423 4.833) 9.325 13.939 ( 1.227 0.091 -2.134) 2.463 14.032 ( -3.297 2.368 -0.654) 4.111 14.359 ( 2.181 -3.828 -10.544) 11.427 15.099 ( -8.628 5.672 -3.157) 10.798 15.400 ( -12.556 13.052 22.155) 28.616 15.662 ( 3.426 -11.115 5.126) 12.710 16.497 ( 6.529 -8.103 -7.471) 12.810 16.937 ( 11.250 -9.804 2.274) 15.094 17.159 ( -9.706 13.933 -8.020) 18.779 17.795 ( 0.276 -2.075 10.735) 10.938 18.593 ( 2.759 11.991 -2.445) 12.545 18.732 ( 9.269 3.866 -2.302) 10.304 19.077 ( 5.978 -0.054 -2.989) 6.684 19.614 ( 7.947 -0.768 -0.814) 8.025 20.016 ( -7.216 0.683 0.148) 7.250 20.217 ( -5.868 -1.531 9.182) 11.004 20.637 ( -6.767 -3.098 -2.318) 7.795 20.961 ( -0.574 -6.109 8.894) 10.805 21.542 ( 2.339 3.353 -8.969) 9.857 21.793 ( -6.097 -3.301 -2.775) 7.467 ======================= Grid point 189 (93/125) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -9.900 -5.452 -1.076) 11.353 2.265 ( 7.320 10.707 1.371) 13.043 2.425 ( -5.076 -7.257 10.700) 13.890 2.592 ( 0.993 2.249 4.354) 5.000 2.702 ( -4.701 5.984 -11.136) 13.488 2.834 ( -3.031 1.207 -3.331) 4.663 2.935 ( -5.317 -14.608 8.109) 17.533 3.253 ( 1.291 0.483 -6.919) 7.055 3.427 ( -3.830 -3.350 -1.800) 5.397 3.507 ( -0.486 -0.490 6.791) 6.826 3.593 ( -1.483 0.231 3.470) 3.781 3.655 ( 7.939 4.227 0.235) 8.997 3.850 ( -8.574 -5.969 1.828) 10.606 3.948 ( -2.945 -6.207 -3.113) 7.543 4.225 ( 0.810 -10.006 0.471) 10.050 4.269 ( -0.349 3.892 -1.533) 4.197 4.567 ( -2.514 4.489 -1.585) 5.384 4.634 ( -1.753 -3.208 -3.040) 4.754 4.928 ( 4.677 14.788 -9.151) 18.008 5.027 ( 1.401 1.668 3.695) 4.289 5.130 ( 9.899 1.505 3.374) 10.566 5.405 ( 9.405 3.906 -5.538) 11.592 5.644 ( -1.336 -1.393 3.911) 4.361 5.904 ( -3.600 -4.886 -5.102) 7.929 6.032 ( -4.801 2.098 4.151) 6.685 6.242 ( -0.754 -2.790 -1.980) 3.503 6.345 ( 1.735 -0.359 5.792) 6.057 7.351 ( 3.773 0.654 2.847) 4.772 7.802 ( 4.159 0.576 3.857) 5.702 7.871 ( -14.180 -2.000 2.830) 14.598 8.043 ( 2.839 -2.018 0.796) 3.573 8.205 ( -11.077 0.034 3.129) 11.511 8.339 ( -1.303 -3.703 -2.483) 4.645 8.474 ( -1.846 0.258 -2.265) 2.933 8.559 ( 16.951 3.862 -1.717) 17.470 9.046 ( 4.878 -1.578 -11.169) 12.289 9.186 ( 2.951 10.461 3.880) 11.541 9.332 ( -1.275 0.307 -1.259) 1.818 9.597 ( 2.309 -15.814 -6.026) 17.079 9.903 ( -4.886 7.168 -0.995) 8.732 9.983 ( 3.479 4.770 8.300) 10.186 10.096 ( 2.547 4.710 -3.967) 6.663 10.578 ( -0.217 3.167 0.971) 3.319 10.684 ( 2.350 0.475 0.874) 2.552 11.102 ( 1.703 -2.120 7.247) 7.740 11.468 ( -2.633 -1.322 -0.536) 2.995 11.657 ( -6.383 1.531 -11.609) 13.337 11.727 ( -3.443 -9.548 9.563) 13.946 12.004 ( 5.081 -2.991 -5.243) 7.890 12.268 ( -6.636 -1.841 3.602) 7.772 12.580 ( 12.520 8.722 -3.038) 15.559 13.175 ( -3.380 -1.985 -2.667) 4.741 13.456 ( 1.552 -3.823 2.728) 4.946 13.523 ( 2.737 5.449 1.691) 6.328 13.706 ( 6.424 -0.969 -0.535) 6.518 13.948 ( -0.006 1.117 -1.456) 1.835 14.066 ( 6.475 -1.559 -0.198) 6.663 14.236 ( -5.858 -3.057 -10.348) 12.278 15.053 ( -4.151 10.763 -3.688) 12.111 15.466 ( -8.763 16.579 21.509) 28.535 15.668 ( 6.610 -8.555 4.817) 11.835 16.442 ( 3.271 -14.164 -7.571) 16.390 17.010 ( 0.854 -3.560 3.675) 5.188 17.104 ( -0.026 1.703 -5.717) 5.966 17.802 ( -3.546 2.252 4.036) 5.826 18.488 ( -17.238 0.176 1.830) 17.335 18.776 ( -0.884 -8.708 -2.089) 8.999 19.166 ( 2.970 2.804 -4.708) 6.233 19.565 ( -7.972 -1.707 -3.149) 8.740 19.810 ( -13.271 -8.236 4.526) 16.262 20.363 ( 8.614 9.223 8.644) 15.296 20.585 ( 4.952 -1.179 -1.293) 5.252 20.998 ( 6.377 -2.344 4.417) 8.104 21.458 ( -4.585 0.560 -6.633) 8.083 21.915 ( 12.664 8.004 -3.160) 15.311 ======================= Grid point 194 (94/125) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 8.307 4.089 26.730) 28.288 1.282 ( -4.983 16.589 24.729) 30.192 2.134 ( -4.723 3.381 5.846) 8.241 2.295 ( 5.223 5.863 -15.019) 16.948 2.376 ( -0.941 17.879 21.221) 27.764 2.918 ( 0.086 -0.632 4.701) 4.744 2.994 ( 0.805 0.218 2.486) 2.622 3.020 ( -1.611 -0.634 1.775) 2.480 3.252 ( -0.040 -2.088 -1.484) 2.562 3.414 ( 4.337 -1.600 -1.181) 4.772 3.522 ( -6.217 -8.114 -3.264) 10.731 3.578 ( -1.417 4.346 -0.119) 4.573 3.871 ( 1.669 -1.425 -0.672) 2.295 3.912 ( 2.800 10.064 -8.517) 13.478 4.276 ( -0.103 -4.642 -6.390) 7.899 4.414 ( 2.392 -3.402 -1.743) 4.509 4.536 ( -3.485 4.167 5.789) 7.938 4.612 ( -1.036 3.373 -27.047) 27.276 4.952 ( 0.567 -5.706 0.900) 5.804 5.114 ( -0.493 1.617 -2.275) 2.834 5.221 ( 0.912 -9.294 9.923) 13.626 5.580 ( 0.925 4.757 8.202) 9.527 5.717 ( 0.347 -7.042 -8.447) 11.002 5.922 ( -7.068 1.993 -2.350) 7.711 5.984 ( 5.507 4.112 0.259) 6.878 6.135 ( -0.315 3.175 -3.022) 4.394 6.576 ( -0.469 -6.887 10.393) 12.476 6.827 ( 0.333 8.305 -6.113) 10.318 7.794 ( 8.038 -0.057 -1.862) 8.251 7.867 ( -1.256 -1.200 0.170) 1.745 7.961 ( -9.832 0.038 0.998) 9.883 8.118 ( -0.639 9.267 0.423) 9.299 8.152 ( 0.851 5.414 -0.332) 5.490 8.728 ( -2.184 -10.814 -4.167) 11.793 8.930 ( -4.848 -12.955 5.583) 14.917 9.057 ( -6.548 -1.617 1.448) 6.899 9.234 ( 16.581 0.918 1.409) 16.666 9.314 ( -0.056 5.739 0.985) 5.823 9.616 ( -5.528 11.152 5.045) 13.431 10.126 ( 3.694 -9.555 4.388) 11.144 10.250 ( -1.934 -0.457 6.946) 7.225 10.641 ( 7.109 -9.989 -12.241) 17.325 10.748 ( -6.041 -0.280 -9.631) 11.372 10.842 ( 1.818 -4.666 -2.115) 5.436 10.954 ( -2.445 2.758 -2.966) 4.731 11.042 ( -0.212 2.984 -9.173) 9.649 11.375 ( 1.444 7.134 -4.842) 8.742 11.738 ( -1.585 -1.687 2.556) 3.448 11.784 ( 0.534 2.577 2.898) 3.915 12.286 ( -2.669 2.166 13.950) 14.367 12.717 ( -0.400 2.746 -2.832) 3.965 13.164 ( 1.781 6.770 -1.207) 7.103 13.380 ( -2.293 -2.129 4.582) 5.548 13.527 ( 2.756 6.364 2.065) 7.236 14.062 ( -0.968 -15.191 0.556) 15.232 14.203 ( -2.478 -2.995 -1.135) 4.050 14.349 ( 0.412 -3.137 0.414) 3.191 14.369 ( 0.253 -6.566 -3.931) 7.657 15.416 ( -1.001 10.247 -1.216) 10.367 15.981 ( 0.516 -11.159 1.935) 11.337 16.006 ( 2.610 -13.655 1.114) 13.947 16.627 ( -2.485 -14.201 6.719) 15.905 16.843 ( 2.597 2.801 -1.482) 4.097 17.113 ( 2.770 -12.290 4.615) 13.417 17.357 ( 8.443 3.810 -1.328) 9.358 17.690 ( -12.579 10.795 -3.541) 16.950 17.855 ( 2.457 12.192 -2.905) 12.772 17.934 ( -4.105 24.867 0.113) 25.204 18.407 ( 0.895 30.267 -4.979) 30.686 20.803 ( 5.805 -24.447 16.553) 30.089 20.946 ( 3.300 -7.321 -0.353) 8.038 20.994 ( -0.630 -1.458 3.122) 3.502 21.394 ( 0.495 -5.530 -1.200) 5.680 21.488 ( -4.944 -0.084 -3.117) 5.845 22.924 ( -0.048 -15.920 -0.747) 15.937 ======================= Grid point 195 (95/125) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 9.595 10.686 18.506) 23.425 1.505 ( 3.033 17.111 17.561) 24.705 2.060 ( 0.715 0.537 -19.425) 19.446 2.383 ( 6.549 6.228 -15.917) 18.304 2.836 ( 9.094 15.310 30.945) 35.703 2.891 ( -2.050 0.926 8.636) 8.924 2.997 ( 0.870 -2.157 -0.084) 2.327 3.054 ( 0.059 4.824 6.363) 7.985 3.183 ( -3.903 0.944 0.282) 4.026 3.344 ( -3.842 -8.246 2.162) 9.350 3.503 ( 5.597 0.804 -0.181) 5.657 3.639 ( 1.578 5.607 5.102) 7.743 3.869 ( 1.545 -0.370 -4.713) 4.974 4.038 ( 3.977 7.536 -12.205) 14.885 4.210 ( 0.893 -5.929 -4.578) 7.544 4.411 ( 4.565 -4.293 -5.425) 8.288 4.473 ( -7.872 -0.165 1.359) 7.990 4.555 ( 0.949 4.900 -19.401) 20.033 4.902 ( -1.094 -4.836 3.728) 6.203 5.071 ( -2.771 -0.690 -7.300) 7.839 5.154 ( -4.209 -3.124 11.114) 12.288 5.626 ( 1.610 -6.745 -7.850) 10.474 5.714 ( 0.799 0.381 3.079) 3.204 5.798 ( -3.476 1.940 1.834) 4.383 6.071 ( 0.484 0.277 2.785) 2.840 6.193 ( 3.577 5.717 -4.314) 8.006 6.505 ( -3.504 -6.569 8.171) 11.054 6.958 ( 5.174 11.726 -4.932) 13.733 7.818 ( -1.904 -3.164 -1.226) 3.891 7.873 ( -3.138 5.376 4.749) 7.830 7.900 ( 2.683 -1.359 -3.304) 4.468 8.193 ( 3.031 0.806 0.164) 3.140 8.208 ( 1.552 3.158 -1.786) 3.946 8.526 ( -3.726 -8.292 1.873) 9.282 8.825 ( -1.419 -5.813 3.772) 7.074 8.968 ( -3.529 -0.665 2.365) 4.300 9.254 ( -1.020 -5.217 -8.528) 10.049 9.485 ( 2.940 3.147 2.642) 5.053 9.659 ( 0.811 1.641 7.408) 7.631 10.025 ( -6.537 -6.281 3.414) 9.687 10.260 ( 0.115 1.463 3.378) 3.683 10.476 ( -5.635 -8.393 -8.766) 13.381 10.709 ( 2.618 -4.194 -6.767) 8.381 10.798 ( -3.421 0.610 -2.430) 4.240 10.951 ( 0.375 -0.057 -6.125) 6.136 11.023 ( 2.090 2.726 -2.218) 4.089 11.486 ( 2.575 7.567 -2.964) 8.525 11.756 ( 3.674 0.066 0.595) 3.723 11.831 ( 1.833 -1.109 3.475) 4.082 12.270 ( -4.326 -1.773 12.242) 13.104 12.745 ( 1.498 3.742 -3.323) 5.224 13.241 ( 0.784 -0.050 1.751) 1.919 13.428 ( 3.780 5.850 0.982) 7.034 13.620 ( -0.608 5.541 0.214) 5.578 13.820 ( -6.712 -16.543 0.266) 17.855 14.120 ( 0.407 -4.553 -0.919) 4.663 14.239 ( -4.496 -7.669 -3.028) 9.391 14.300 ( -2.694 -3.950 0.808) 4.849 15.464 ( -2.357 -0.752 -1.253) 2.773 15.832 ( -4.811 -7.628 3.299) 9.603 15.894 ( -3.502 -2.093 3.380) 5.298 16.509 ( 1.059 -16.420 -2.500) 16.643 16.724 ( -12.735 4.645 5.702) 14.706 17.253 ( 18.210 -4.116 4.530) 19.211 17.525 ( -3.108 16.174 -9.853) 19.192 17.784 ( 1.173 20.374 4.038) 20.803 17.897 ( 10.789 7.408 -0.040) 13.088 18.430 ( 18.766 22.863 -1.644) 29.624 18.697 ( 5.148 14.885 -2.616) 15.966 20.665 ( -4.475 -15.111 10.838) 19.127 20.842 ( -8.044 -5.708 8.311) 12.898 21.017 ( 3.278 -1.780 -4.481) 5.830 21.236 ( -8.565 -7.785 0.558) 11.588 21.398 ( -1.490 -4.257 -2.110) 4.979 22.639 ( -10.390 -18.264 -3.297) 21.270 ======================= Grid point 196 (96/125) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 4.030 11.990 9.310) 15.706 1.845 ( 8.661 11.883 5.116) 15.569 2.069 ( 7.532 4.537 -14.233) 16.730 2.504 ( 6.520 5.102 -10.781) 13.593 2.816 ( -4.836 0.253 8.296) 9.606 2.988 ( -2.349 -0.108 6.825) 7.218 3.084 ( 2.674 1.332 -1.071) 3.173 3.139 ( 2.293 -2.234 -3.614) 4.828 3.251 ( 1.303 -4.407 5.596) 7.241 3.307 ( 3.613 8.322 12.065) 15.095 3.587 ( -1.986 3.236 7.680) 8.567 3.831 ( 6.446 6.132 10.714) 13.926 3.897 ( 5.290 4.134 0.871) 6.770 4.081 ( 1.286 0.962 -11.047) 11.163 4.127 ( -0.583 -6.501 -4.039) 7.675 4.305 ( -6.506 -7.352 2.093) 10.038 4.465 ( 5.479 -0.631 -2.598) 6.097 4.576 ( 3.927 8.104 -21.364) 23.185 4.850 ( -3.591 -0.590 5.737) 6.794 4.994 ( -1.272 0.454 -7.575) 7.694 5.112 ( -1.922 -2.056 5.382) 6.073 5.508 ( -13.720 -0.648 -7.197) 15.506 5.586 ( 2.347 -5.622 -2.105) 6.446 5.934 ( 6.681 -0.799 6.212) 9.157 6.076 ( -0.382 1.627 1.634) 2.337 6.287 ( 1.855 3.577 0.478) 4.058 6.402 ( -4.260 -5.308 3.554) 7.679 7.177 ( 6.624 12.914 -2.469) 14.722 7.778 ( 0.721 -4.311 -1.411) 4.593 7.810 ( -6.056 -1.662 0.616) 6.310 7.937 ( 1.929 3.696 5.388) 6.813 8.218 ( 4.060 -5.716 -3.172) 7.695 8.273 ( 2.861 3.040 -1.267) 4.362 8.508 ( 2.341 -0.493 2.932) 3.784 8.799 ( -0.190 -1.153 2.709) 2.950 8.859 ( -5.135 -5.929 -1.187) 7.932 9.182 ( 3.699 -6.199 -5.453) 9.046 9.425 ( -9.204 -0.346 2.028) 9.431 9.677 ( -2.739 -3.998 5.600) 7.406 9.931 ( -1.492 1.555 2.378) 3.209 10.214 ( -5.950 -3.189 -3.944) 7.818 10.312 ( -4.850 -0.557 -2.925) 5.691 10.611 ( -0.876 -7.567 -4.502) 8.849 10.767 ( -5.031 9.114 -4.142) 11.204 10.947 ( 3.481 -3.087 2.286) 5.184 11.159 ( 7.746 4.830 -1.927) 9.330 11.585 ( 2.315 6.103 1.760) 6.761 11.811 ( 0.842 -7.531 -0.999) 7.644 11.842 ( 5.138 -2.116 0.738) 5.606 12.277 ( 0.194 3.132 8.836) 9.377 12.795 ( 0.796 2.248 -2.791) 3.671 13.219 ( -4.887 -3.022 1.488) 5.936 13.430 ( -8.125 -5.125 1.478) 9.719 13.523 ( -1.357 -1.759 0.509) 2.279 13.748 ( 3.664 -2.353 -0.318) 4.366 14.063 ( -5.117 -3.522 -4.773) 7.834 14.144 ( 5.188 -1.616 -1.132) 5.550 14.192 ( -4.906 -3.372 -1.357) 6.106 15.331 ( -4.161 -8.028 -1.740) 9.209 15.698 ( -5.781 -3.009 3.774) 7.531 15.874 ( -8.219 5.666 15.671) 18.581 16.325 ( 1.147 -13.509 -7.485) 15.487 16.695 ( -0.028 6.622 -4.201) 7.842 17.483 ( -2.835 12.427 -7.745) 14.915 17.595 ( 6.822 3.696 9.195) 12.031 18.122 ( 17.050 10.204 2.894) 20.080 18.282 ( 14.472 17.689 1.441) 22.900 18.836 ( 2.832 6.604 -3.528) 8.005 18.978 ( 21.353 12.516 -1.243) 24.782 20.456 ( -11.698 -3.618 3.259) 12.671 20.634 ( -11.724 -7.505 8.435) 16.276 20.944 ( -6.885 -5.249 -7.608) 11.526 21.062 ( -3.946 -5.235 6.788) 9.437 21.345 ( 3.780 -5.853 -2.438) 7.382 22.228 ( -13.480 -16.078 -5.065) 21.584 ======================= Grid point 197 (97/125) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 5.441 2.346 -5.295) 7.946 2.067 ( 3.137 14.419 0.801) 14.778 2.282 ( 10.905 4.695 0.950) 11.910 2.592 ( 1.068 3.996 -1.426) 4.375 2.801 ( -2.752 2.328 4.984) 6.151 2.943 ( -3.079 -5.542 7.273) 9.648 3.115 ( 1.278 -0.249 -1.494) 1.982 3.186 ( 5.001 0.121 -1.934) 5.364 3.299 ( 4.224 2.581 -0.179) 4.953 3.401 ( -0.850 2.842 -2.625) 3.961 3.560 ( -5.083 0.769 9.391) 10.706 3.865 ( 0.856 -2.195 -2.337) 3.319 3.915 ( -7.645 -3.446 -0.968) 8.442 4.054 ( 0.297 -6.495 -3.313) 7.297 4.158 ( -0.987 -10.697 2.896) 11.126 4.283 ( 10.532 6.766 9.075) 15.461 4.556 ( 2.300 6.089 -3.074) 7.199 4.648 ( 3.410 7.722 -7.811) 11.501 4.845 ( -0.277 -1.889 0.791) 2.067 4.971 ( 1.160 2.204 -8.014) 8.392 5.060 ( -3.011 -1.337 -2.053) 3.881 5.275 ( -8.747 5.445 0.703) 10.328 5.593 ( 3.769 -3.007 -1.212) 4.971 5.959 ( 0.347 -5.686 -1.766) 5.964 6.161 ( 2.654 5.269 4.527) 7.437 6.266 ( -5.081 -5.419 3.153) 8.070 6.336 ( -0.447 0.864 0.569) 1.126 7.357 ( -0.779 8.763 1.021) 8.856 7.706 ( 0.846 0.854 0.975) 1.548 7.838 ( 4.892 0.816 0.226) 4.965 8.049 ( 7.169 -0.948 4.835) 8.699 8.195 ( 1.855 -5.949 -3.688) 7.241 8.319 ( -5.319 2.878 5.972) 8.499 8.547 ( 2.562 -3.311 -3.455) 5.428 8.653 ( 1.338 -7.491 -6.696) 10.137 8.813 ( -5.388 -4.986 3.241) 8.025 9.156 ( 1.324 -3.308 3.044) 4.686 9.350 ( -2.130 9.593 -4.893) 10.978 9.572 ( -3.215 -8.019 -0.965) 8.693 9.923 ( -2.115 -3.594 1.947) 4.602 10.072 ( -2.058 -5.130 2.128) 5.923 10.216 ( -8.123 10.937 -4.685) 14.407 10.560 ( 2.972 -4.931 -2.355) 6.221 10.760 ( -6.392 11.833 -2.770) 13.732 11.012 ( 3.565 -1.038 6.469) 7.459 11.324 ( 7.689 1.574 -2.285) 8.175 11.726 ( 2.997 1.548 9.010) 9.620 11.738 ( 4.138 -5.626 -3.857) 7.978 11.872 ( 1.817 -3.864 -3.969) 5.830 12.359 ( 0.229 1.428 4.868) 5.078 12.696 ( -12.513 -0.051 -2.514) 12.763 13.081 ( 0.458 -0.526 -1.825) 1.953 13.402 ( 2.362 -1.731 0.937) 3.074 13.471 ( 2.139 -8.029 3.590) 9.052 13.690 ( -5.995 -4.760 2.818) 8.157 13.969 ( -3.088 0.848 -4.208) 5.288 14.075 ( -2.445 -0.947 -5.626) 6.207 14.252 ( 5.075 2.989 -3.132) 6.671 15.191 ( -1.684 -7.323 -3.083) 8.122 15.605 ( -4.984 -0.905 5.722) 7.642 15.852 ( -11.180 11.590 18.895) 24.826 16.235 ( 6.707 -14.355 -5.824) 16.881 16.764 ( 3.440 4.531 -7.368) 9.309 17.447 ( -10.356 14.306 -9.320) 19.969 17.799 ( 4.803 2.351 14.646) 15.592 18.489 ( 17.608 -1.128 -3.766) 18.042 18.705 ( 7.479 20.114 2.740) 21.634 18.883 ( 6.122 -5.116 -2.824) 8.464 19.419 ( 15.702 9.507 -3.133) 18.621 20.241 ( -12.893 4.706 -1.413) 13.798 20.386 ( -10.417 -8.131 10.553) 16.911 20.728 ( -9.152 -3.117 -4.690) 10.746 20.952 ( -3.380 -8.262 7.192) 11.463 21.412 ( 8.883 -1.921 -5.058) 10.401 21.855 ( -10.027 -11.021 -3.980) 15.422 ======================= Grid point 198 (98/125) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -0.166 -0.239 -4.635) 4.644 2.261 ( 4.156 10.259 -0.983) 11.112 2.448 ( 1.736 -0.069 6.794) 7.013 2.667 ( 0.536 7.566 8.168) 11.147 2.771 ( -2.231 0.729 -2.990) 3.801 2.849 ( -2.497 -7.811 5.298) 9.763 3.000 ( -11.769 -6.028 -4.072) 13.836 3.208 ( 0.273 1.978 -6.249) 6.560 3.401 ( 2.997 1.069 -1.356) 3.459 3.487 ( 7.584 4.232 2.730) 9.104 3.564 ( 1.214 1.187 3.052) 3.493 3.734 ( -8.026 0.287 1.227) 8.124 3.870 ( 1.702 -0.609 -2.764) 3.303 3.963 ( -4.982 -9.189 3.612) 11.059 4.058 ( 2.883 -11.665 2.378) 12.249 4.374 ( -6.072 0.997 -0.803) 6.206 4.578 ( 0.648 1.083 3.859) 4.060 4.651 ( -6.138 -5.854 -12.855) 15.402 4.876 ( 9.023 10.650 -3.843) 14.478 5.018 ( 3.944 3.992 -5.825) 8.088 5.159 ( 1.932 11.129 8.162) 13.936 5.294 ( 3.427 2.115 0.074) 4.028 5.638 ( 2.786 -0.430 2.660) 3.876 5.870 ( -1.310 -6.708 -4.463) 8.163 6.114 ( -5.246 -2.931 -3.770) 7.094 6.252 ( -1.374 3.536 -0.093) 3.795 6.341 ( 1.057 -2.164 8.320) 8.661 7.382 ( -2.257 5.944 2.114) 6.700 7.769 ( 1.638 0.214 2.284) 2.819 7.959 ( 5.483 -1.549 2.511) 6.226 8.132 ( -14.789 -2.156 5.507) 15.927 8.159 ( 5.164 -2.150 -1.058) 5.693 8.271 ( 14.032 0.011 1.354) 14.098 8.459 ( -10.209 -9.330 -3.468) 14.258 8.559 ( -1.498 1.521 -3.470) 4.074 8.806 ( 10.502 -2.597 -2.830) 11.183 9.224 ( 2.575 2.710 4.327) 5.718 9.369 ( -3.906 -0.325 -10.416) 11.129 9.407 ( -0.453 -6.272 -5.315) 8.234 9.883 ( 3.762 -2.304 6.185) 7.597 10.090 ( 2.337 1.529 3.812) 4.725 10.205 ( -7.246 14.281 -3.905) 16.483 10.578 ( 2.959 -1.721 2.335) 4.144 10.742 ( -5.448 6.789 -2.749) 9.129 11.093 ( 2.357 2.114 5.301) 6.175 11.434 ( 4.992 -0.954 0.951) 5.171 11.676 ( -2.346 -5.189 -7.073) 9.081 11.746 ( -1.659 -7.084 0.583) 7.299 11.864 ( -0.445 -4.679 2.454) 5.302 12.299 ( -0.626 -4.477 1.728) 4.839 12.605 ( -2.473 13.311 -2.970) 13.861 13.162 ( 4.107 1.512 -0.868) 4.461 13.360 ( 1.300 -8.883 2.339) 9.278 13.517 ( 4.272 -6.738 1.740) 8.166 13.582 ( 1.553 -0.274 -0.268) 1.600 13.926 ( -1.226 4.188 -4.908) 6.568 14.046 ( -0.547 0.919 -0.162) 1.081 14.297 ( -2.450 2.927 -3.654) 5.284 15.113 ( 1.786 -4.592 -3.772) 6.206 15.558 ( -2.196 -0.944 6.708) 7.122 15.896 ( -7.683 16.863 12.242) 22.209 16.185 ( 5.603 -15.953 -0.646) 16.921 16.838 ( 4.359 0.471 -1.160) 4.535 17.341 ( -11.644 9.834 -8.276) 17.343 17.908 ( -1.785 4.125 9.564) 10.567 18.630 ( 4.584 -6.588 -6.735) 10.477 18.763 ( -4.726 -1.903 0.003) 5.095 19.034 ( 4.458 2.813 -1.461) 5.470 19.635 ( 2.470 4.261 -1.311) 5.096 20.040 ( -14.221 -2.449 5.085) 15.300 20.360 ( 4.845 8.382 6.015) 11.398 20.545 ( -4.469 -2.232 -3.644) 6.183 20.896 ( 2.454 -6.004 6.897) 9.468 21.454 ( -0.031 -4.416 -7.571) 8.765 21.750 ( 8.634 0.094 -2.299) 8.936 ======================= Grid point 203 (99/125) ======================= q-point: ( 0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -3.244 5.633 22.718) 23.630 1.641 ( -6.237 16.841 18.042) 25.457 2.195 ( 2.306 3.983 -17.414) 18.012 2.237 ( -8.488 1.604 -16.433) 18.565 2.847 ( -8.867 12.525 24.770) 29.139 2.899 ( 1.600 1.987 11.773) 12.046 3.013 ( -0.380 6.648 6.974) 9.643 3.092 ( -3.906 0.267 0.838) 4.004 3.162 ( 4.707 2.080 0.317) 5.156 3.382 ( 0.664 0.158 2.704) 2.789 3.541 ( -6.495 -2.662 -3.529) 7.857 3.668 ( -0.427 3.776 -1.420) 4.057 3.812 ( 0.677 -3.083 2.556) 4.062 3.972 ( -3.742 7.240 -10.544) 13.326 4.201 ( 0.236 -7.716 -1.930) 7.957 4.356 ( 0.224 -1.966 -1.104) 2.266 4.556 ( -0.238 4.447 -26.602) 26.973 4.625 ( 1.250 2.859 2.512) 4.006 4.886 ( 0.312 -2.628 -2.129) 3.396 5.029 ( 3.995 -6.404 -2.952) 8.105 5.163 ( 3.690 -1.470 11.563) 12.226 5.574 ( 3.393 -7.516 -7.752) 11.318 5.663 ( -3.268 -2.419 4.162) 5.819 5.926 ( 4.563 3.416 0.750) 5.749 6.059 ( -5.077 3.185 -0.153) 5.996 6.190 ( -2.612 4.784 -3.275) 6.359 6.525 ( 3.121 -5.626 7.730) 10.057 6.941 ( -4.698 10.485 -4.369) 12.293 7.689 ( 2.913 -0.556 1.854) 3.498 7.869 ( -0.058 -2.181 2.650) 3.433 8.100 ( -3.453 -0.066 -4.412) 5.603 8.163 ( 1.046 3.728 -6.386) 7.468 8.228 ( -3.909 3.624 3.791) 6.541 8.662 ( 1.667 1.861 -9.015) 9.355 8.866 ( 3.669 -11.034 6.666) 13.403 9.028 ( 3.071 -0.747 0.837) 3.269 9.099 ( -1.357 -0.853 -3.128) 3.514 9.436 ( -4.163 2.125 3.087) 5.602 9.764 ( 2.449 1.102 5.785) 6.378 9.938 ( 4.025 -8.274 6.222) 11.108 10.245 ( 5.505 -4.540 7.246) 10.169 10.376 ( 3.620 -5.805 -11.552) 13.426 10.707 ( 5.006 -7.772 -3.669) 9.947 10.858 ( -9.391 0.194 -6.158) 11.232 10.957 ( 3.461 3.733 -3.503) 6.180 11.084 ( -3.505 4.577 -5.981) 8.307 11.425 ( -0.783 5.797 -2.942) 6.547 11.767 ( -2.260 -1.419 1.409) 3.018 11.868 ( -3.409 4.713 2.744) 6.432 12.341 ( 2.136 -2.117 8.014) 8.560 12.760 ( -1.998 4.402 -3.680) 6.075 13.249 ( -2.540 5.741 -0.009) 6.277 13.465 ( -6.230 0.699 4.412) 7.666 13.511 ( 6.427 4.124 1.525) 7.787 13.859 ( 5.039 -14.461 -1.534) 15.391 14.181 ( 3.913 -2.239 -2.203) 5.018 14.229 ( 3.650 -7.562 -4.203) 9.390 14.306 ( -1.798 -4.904 -0.521) 5.250 15.460 ( 4.259 -9.032 -1.706) 10.131 15.795 ( 5.821 1.493 5.584) 8.203 15.865 ( 3.470 -6.683 5.188) 9.144 16.493 ( 9.457 -10.987 11.593) 18.562 16.731 ( -5.448 -4.409 -9.270) 11.621 17.157 ( -1.546 3.464 3.526) 5.179 17.408 ( -6.417 7.058 4.678) 10.624 17.908 ( -1.652 19.185 -0.819) 19.273 18.006 ( -8.310 15.032 -8.335) 19.092 18.446 ( -18.619 22.913 -1.779) 29.578 18.744 ( -9.528 17.881 -5.496) 20.993 20.435 ( 10.056 -24.367 22.368) 34.572 20.797 ( 7.352 -5.875 2.858) 9.835 21.006 ( -1.260 -2.880 -0.190) 3.149 21.253 ( 7.688 -7.052 0.510) 10.445 21.515 ( -0.678 -1.249 -4.840) 5.045 22.640 ( 10.411 -18.313 -3.319) 21.325 ======================= Grid point 204 (100/125) ======================= q-point: ( 0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 8.581 10.171 18.386) 22.697 1.820 ( -3.729 18.805 15.794) 24.839 2.030 ( -4.979 2.170 -20.036) 20.759 2.272 ( 4.847 6.592 -14.931) 17.026 2.899 ( -0.489 -0.995 3.764) 3.924 2.971 ( 3.369 1.617 5.446) 6.605 3.033 ( -4.902 4.306 6.597) 9.279 3.174 ( -2.537 4.048 3.492) 5.918 3.296 ( 2.976 8.799 18.130) 20.371 3.357 ( -6.928 -1.776 2.662) 7.631 3.441 ( 4.229 5.162 3.870) 7.714 3.713 ( -0.219 6.837 5.240) 8.617 3.799 ( 1.597 -3.225 -4.405) 5.688 4.017 ( 1.697 7.092 -10.515) 12.796 4.115 ( 0.381 -7.180 -1.836) 7.421 4.316 ( 0.068 -1.421 -5.428) 5.611 4.503 ( 0.535 4.315 -21.109) 21.552 4.599 ( -5.915 -2.032 0.635) 6.287 4.840 ( 0.732 -5.614 -1.087) 5.765 5.048 ( 3.359 -0.247 -2.668) 4.297 5.210 ( -1.293 -5.611 12.220) 13.509 5.485 ( 1.199 -7.671 -10.057) 12.705 5.671 ( 3.490 -0.690 3.474) 4.973 5.946 ( -7.551 1.606 1.059) 7.792 6.047 ( 3.004 0.705 1.007) 3.246 6.216 ( 0.081 7.451 -3.118) 8.077 6.505 ( -0.938 -7.010 6.261) 9.446 7.019 ( 0.947 14.517 -4.583) 15.253 7.777 ( 3.562 -1.390 0.219) 3.830 7.821 ( -0.348 -3.422 0.326) 3.455 8.053 ( -3.486 7.235 1.837) 8.238 8.167 ( -0.542 1.261 -4.792) 4.985 8.237 ( -0.191 -0.292 1.343) 1.388 8.565 ( -7.155 -0.428 -2.878) 7.724 8.766 ( 0.644 -8.177 4.347) 9.283 9.057 ( -1.588 -0.165 3.671) 4.003 9.176 ( 0.730 -5.669 -9.870) 11.406 9.379 ( 4.155 0.022 5.520) 6.909 9.793 ( -5.491 1.481 9.446) 11.026 9.948 ( 5.356 -9.536 -0.505) 10.949 10.266 ( 0.568 -5.160 5.185) 7.337 10.339 ( 3.657 -8.942 -9.776) 13.744 10.618 ( -2.022 -4.643 -4.720) 6.923 10.802 ( 3.434 1.265 -4.617) 5.892 10.994 ( -3.781 2.676 -2.319) 5.180 11.058 ( -1.033 5.612 -0.973) 5.789 11.503 ( 2.102 9.117 -4.985) 10.601 11.724 ( -1.229 -1.002 3.728) 4.051 11.885 ( -2.568 2.910 3.006) 4.909 12.344 ( -0.900 -3.638 6.735) 7.707 12.771 ( -0.562 4.944 -3.501) 6.084 13.246 ( -1.647 -1.883 1.286) 2.813 13.427 ( -0.245 2.425 1.758) 3.005 13.648 ( 3.208 4.452 -1.935) 5.819 13.760 ( -1.227 -10.864 2.218) 11.156 14.115 ( -5.002 -3.682 -1.872) 6.487 14.160 ( 0.826 -11.131 -2.455) 11.429 14.256 ( 2.815 -6.517 1.564) 7.269 15.438 ( 2.213 -8.818 -0.573) 9.110 15.765 ( -0.464 -8.298 2.298) 8.622 15.963 ( 0.404 7.718 0.145) 7.730 16.376 ( -4.521 -15.097 5.404) 16.660 16.847 ( 14.732 0.535 -3.100) 15.064 17.050 ( -7.552 0.171 2.976) 8.119 17.559 ( 5.912 12.805 3.875) 14.626 18.009 ( -1.769 20.287 -0.217) 20.365 18.080 ( -9.954 14.985 -8.278) 19.803 18.434 ( 1.193 23.154 0.249) 23.186 18.902 ( -0.968 22.842 -2.154) 22.964 20.433 ( 8.521 -23.241 14.643) 28.761 20.843 ( 2.611 -5.698 2.473) 6.738 20.941 ( -0.813 -5.923 -0.932) 6.051 21.261 ( -0.234 -7.283 3.969) 8.298 21.412 ( -4.351 -3.165 -6.300) 8.285 22.507 ( -0.019 -22.407 -3.350) 22.656 ======================= Grid point 205 (101/125) ======================= q-point: ( 0.56 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 7.229 8.262 10.158) 14.957 1.904 ( 0.843 7.797 -12.277) 14.568 2.048 ( -0.532 16.770 2.758) 17.003 2.374 ( 6.605 4.530 -11.464) 13.984 2.885 ( 0.796 -2.229 1.592) 2.852 3.046 ( -1.109 2.913 5.116) 5.991 3.066 ( 2.906 -0.870 0.988) 3.191 3.106 ( -4.292 1.580 0.816) 4.646 3.247 ( -2.773 -4.239 7.721) 9.235 3.432 ( -0.626 8.492 1.844) 8.712 3.706 ( 0.023 4.588 9.886) 10.899 3.829 ( 1.210 5.648 6.610) 8.778 3.847 ( 9.003 7.710 8.127) 14.371 4.010 ( 1.600 -1.136 -9.869) 10.062 4.063 ( -0.465 -4.574 0.582) 4.634 4.303 ( -0.211 -5.318 0.032) 5.322 4.443 ( -5.244 1.462 -4.084) 6.805 4.505 ( 3.319 6.393 -17.635) 19.050 4.814 ( 2.892 -5.056 0.167) 5.827 5.083 ( -2.058 4.652 -3.173) 5.995 5.115 ( -3.530 -8.268 5.458) 10.517 5.422 ( 3.632 -6.374 -9.133) 11.715 5.684 ( -4.343 -1.691 -2.064) 5.097 5.886 ( -0.711 2.260 5.619) 6.098 6.081 ( 1.451 -1.668 3.924) 4.503 6.303 ( 1.852 6.681 -2.368) 7.326 6.423 ( -2.967 -6.172 4.016) 7.939 7.208 ( 5.045 15.650 -4.696) 17.100 7.734 ( -0.489 -4.296 -1.620) 4.617 7.821 ( -0.572 -1.613 3.610) 3.995 8.066 ( -3.489 -5.469 -3.524) 7.383 8.122 ( -2.860 9.962 -0.647) 10.384 8.292 ( 1.749 5.030 4.478) 6.958 8.513 ( -0.161 0.828 4.259) 4.341 8.743 ( 3.043 -5.462 3.817) 7.325 8.918 ( -9.458 -8.746 -7.283) 14.798 9.067 ( 0.443 -4.302 2.293) 4.895 9.481 ( 2.338 -4.582 -1.218) 5.286 9.719 ( -5.231 -3.033 11.551) 13.038 9.929 ( 2.300 -1.380 -6.630) 7.152 10.190 ( -1.579 -9.065 -5.980) 10.974 10.312 ( 3.634 -2.395 2.409) 4.974 10.540 ( -1.407 -4.554 -6.835) 8.333 10.861 ( 4.416 0.758 -6.272) 7.708 10.952 ( -4.869 6.584 5.351) 9.782 11.148 ( 1.742 10.036 1.708) 10.329 11.585 ( 0.855 4.391 -4.806) 6.566 11.747 ( 3.076 -1.112 2.108) 3.891 11.819 ( -5.855 -4.149 5.682) 9.154 12.342 ( -0.015 1.508 6.048) 6.233 12.800 ( 0.443 3.119 -2.774) 4.198 13.201 ( 1.974 -6.003 3.105) 7.041 13.437 ( -2.321 -10.145 -2.386) 10.677 13.631 ( -6.420 0.959 2.533) 6.968 13.687 ( 0.529 3.053 -0.829) 3.207 14.026 ( -0.974 -4.581 0.522) 4.713 14.065 ( 1.478 -5.856 -3.949) 7.216 14.234 ( -0.714 -2.873 2.559) 3.913 15.287 ( -5.162 -11.657 -3.586) 13.244 15.739 ( 1.556 -3.393 5.803) 6.900 15.990 ( -1.171 -1.420 -9.084) 9.268 16.223 ( -2.331 -4.090 8.928) 10.093 16.833 ( -8.062 5.639 -4.214) 10.703 17.277 ( 20.578 2.522 2.106) 20.838 17.826 ( 5.690 12.848 4.699) 14.816 17.965 ( -7.736 7.250 -4.739) 11.613 18.313 ( 9.300 24.222 -0.100) 25.947 18.759 ( 8.317 8.599 0.536) 11.975 19.067 ( -3.012 24.308 -0.137) 24.495 20.408 ( 6.939 -16.142 5.235) 18.334 20.720 ( -7.275 -11.466 -0.034) 13.579 20.893 ( 2.501 -4.286 -6.564) 8.229 21.152 ( -7.330 -3.403 8.593) 11.797 21.287 ( -3.231 -5.185 -2.467) 6.589 22.205 ( -6.928 -20.360 -3.572) 21.801 ======================= Grid point 206 (102/125) ======================= q-point: ( 0.67 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 0.639 4.302 -8.882) 9.890 2.109 ( 10.341 7.333 -1.280) 12.742 2.223 ( 0.913 14.040 3.591) 14.521 2.496 ( 7.694 2.614 -7.421) 11.004 2.902 ( 0.312 -4.518 6.802) 8.171 3.004 ( -2.495 -0.088 5.770) 6.287 3.077 ( 1.240 -0.961 -5.465) 5.686 3.139 ( -1.609 5.182 8.803) 10.341 3.266 ( 2.883 3.357 1.684) 4.735 3.497 ( -2.570 8.845 -2.780) 9.621 3.690 ( -2.984 -0.803 1.980) 3.670 3.836 ( -3.926 -3.352 -0.144) 5.164 3.893 ( 0.980 -7.262 -9.895) 12.313 4.010 ( -1.464 -3.715 4.917) 6.334 4.109 ( -1.499 -7.223 4.222) 8.500 4.259 ( 3.261 4.891 14.402) 15.555 4.522 ( 6.442 9.753 -4.260) 12.441 4.591 ( 5.473 5.386 -10.927) 13.355 4.846 ( 2.389 -1.934 4.616) 5.546 5.004 ( -2.731 3.103 -6.439) 7.652 5.061 ( -2.242 -2.763 2.140) 4.152 5.361 ( 0.952 -4.720 -13.665) 14.488 5.580 ( -4.706 2.343 4.385) 6.846 5.906 ( -0.625 -2.377 0.784) 2.580 6.146 ( 4.542 -0.178 7.479) 8.752 6.302 ( -3.883 -5.393 -1.584) 6.832 6.375 ( -0.839 4.033 0.640) 4.169 7.443 ( 5.461 13.727 -3.399) 15.159 7.682 ( -0.339 -2.926 -0.018) 2.945 7.827 ( 0.277 1.679 1.619) 2.349 7.982 ( -0.371 -1.027 2.911) 3.109 8.121 ( -0.947 -0.454 -3.443) 3.600 8.375 ( -1.008 2.152 -0.263) 2.391 8.535 ( 0.891 1.223 7.054) 7.215 8.633 ( -6.655 -6.656 -3.124) 9.917 8.790 ( -2.531 -10.317 3.942) 11.331 9.042 ( 6.874 -3.755 2.832) 8.329 9.442 ( 0.410 -4.058 -4.368) 5.976 9.603 ( -8.751 0.969 0.927) 8.853 9.931 ( -1.305 -1.795 -1.920) 2.935 10.065 ( -1.787 -6.046 1.238) 6.425 10.366 ( 2.839 0.578 -2.038) 3.542 10.447 ( -0.485 0.685 -7.586) 7.632 10.936 ( 2.197 3.312 -2.957) 4.954 10.980 ( -1.127 5.050 6.713) 8.476 11.293 ( 0.072 11.721 0.004) 11.722 11.586 ( 1.925 -6.959 -2.309) 7.580 11.717 ( 1.829 -2.587 3.189) 4.495 11.814 ( 1.418 -0.107 4.742) 4.950 12.392 ( -0.440 0.689 3.315) 3.414 12.824 ( 0.245 2.355 -2.108) 3.170 13.150 ( -12.405 -7.022 -0.552) 14.266 13.245 ( 7.027 -4.606 2.126) 8.666 13.494 ( -7.122 -6.346 1.839) 9.715 13.750 ( -2.963 -1.022 6.449) 7.170 13.959 ( 1.190 -1.343 -5.640) 5.918 14.055 ( 1.420 -0.350 -5.652) 5.839 14.246 ( 1.043 4.493 1.913) 4.994 15.070 ( -2.202 -13.496 -4.837) 14.504 15.747 ( -2.355 1.400 4.307) 5.104 15.890 ( 3.860 -9.653 -11.626) 15.596 16.230 ( -6.308 3.610 20.803) 22.036 16.800 ( -1.525 10.468 -11.672) 15.752 17.601 ( 6.396 5.691 -2.657) 8.964 17.906 ( -4.035 16.218 2.834) 16.951 18.098 ( 15.715 -8.131 4.512) 18.260 18.746 ( 8.971 18.461 -0.807) 20.541 18.794 ( 2.123 -1.362 -1.528) 2.949 19.363 ( 6.073 22.047 -1.513) 22.918 20.385 ( 2.151 -8.849 5.005) 10.392 20.440 ( -9.136 -10.841 -2.815) 14.454 20.826 ( -4.949 -1.867 -5.643) 7.734 21.023 ( -8.528 -0.819 3.988) 9.450 21.219 ( 4.631 -7.180 2.145) 8.809 21.872 ( -8.392 -14.866 -2.862) 17.310 ======================= Grid point 207 (103/125) ======================= q-point: ( 0.78 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 3.108 3.199 -7.662) 8.866 2.292 ( 3.276 6.287 0.689) 7.123 2.399 ( 6.373 3.973 1.125) 7.594 2.624 ( 6.578 2.707 -2.920) 7.689 2.826 ( -2.268 -8.381 6.333) 10.747 2.998 ( -9.312 5.706 12.619) 16.689 3.044 ( -1.164 -1.743 -5.651) 6.027 3.229 ( 1.448 2.953 -1.231) 3.512 3.403 ( 6.931 7.292 1.466) 10.167 3.429 ( -7.773 2.243 -4.998) 9.510 3.630 ( -4.681 -0.265 5.030) 6.876 3.752 ( 0.502 -6.957 -7.885) 10.527 3.802 ( 3.462 -1.271 -6.066) 7.099 3.941 ( 0.835 -10.212 5.535) 11.645 4.031 ( -7.947 -1.221 9.463) 12.418 4.382 ( 4.587 0.430 4.631) 6.532 4.600 ( -0.095 1.295 -12.716) 12.782 4.725 ( -12.461 -5.742 1.513) 13.804 4.802 ( 9.782 9.581 -0.470) 13.700 4.986 ( 1.482 2.168 -4.974) 5.624 5.167 ( 7.559 5.756 10.796) 14.381 5.314 ( 1.441 1.687 -10.780) 11.006 5.606 ( 1.167 3.378 4.535) 5.774 5.826 ( -3.474 -5.594 -1.222) 6.697 6.154 ( -5.435 -3.785 -5.012) 8.306 6.266 ( 5.055 0.254 5.620) 7.563 6.371 ( -3.159 0.974 1.778) 3.753 7.540 ( -5.149 8.367 0.821) 9.859 7.739 ( 4.191 0.539 0.894) 4.319 7.862 ( 4.016 0.607 -0.764) 4.133 8.028 ( 3.380 -4.376 -1.960) 5.866 8.132 ( 5.783 4.338 3.513) 8.038 8.334 ( -2.347 -3.306 -0.230) 4.061 8.453 ( -7.265 -8.367 0.216) 11.083 8.507 ( -4.780 -4.422 -1.148) 6.612 8.701 ( 4.428 -2.936 6.532) 8.420 9.199 ( 6.677 2.059 0.890) 7.043 9.283 ( -4.485 -11.261 -6.669) 13.835 9.541 ( -7.161 12.275 -7.662) 16.146 9.845 ( -1.225 -5.029 5.713) 7.709 10.045 ( 3.541 -2.925 2.586) 5.271 10.400 ( -1.430 5.842 -2.284) 6.433 10.501 ( 4.497 3.597 -1.882) 6.059 10.897 ( -6.605 0.747 -1.448) 6.803 11.094 ( 3.872 3.879 4.106) 6.848 11.366 ( 1.290 4.693 -3.478) 5.982 11.564 ( 3.804 -2.827 -0.127) 4.742 11.719 ( -2.728 -6.868 0.647) 7.418 11.907 ( 2.746 4.673 6.590) 8.533 12.273 ( -5.964 -10.193 -0.634) 11.827 12.816 ( -6.092 11.588 -3.110) 13.456 13.064 ( 6.688 -0.621 0.417) 6.729 13.300 ( -4.647 -10.169 2.695) 11.501 13.348 ( 5.477 -3.831 2.716) 7.215 13.599 ( -5.723 -6.798 -0.125) 8.887 14.007 ( -0.631 7.354 -0.013) 7.381 14.057 ( 0.437 1.847 -3.645) 4.110 14.336 ( 1.510 5.334 -1.081) 5.648 14.922 ( 3.638 -13.254 -5.589) 14.838 15.727 ( -6.348 3.645 9.462) 11.963 15.842 ( 7.263 -10.775 -9.535) 16.117 16.227 ( -6.379 4.846 10.374) 13.107 16.874 ( 0.548 10.773 -0.382) 10.794 17.560 ( -8.891 3.360 -9.487) 13.429 18.056 ( -3.330 7.854 14.446) 16.776 18.321 ( 18.815 -5.362 -7.562) 20.975 18.676 ( -0.661 -7.089 -2.563) 7.567 19.142 ( 5.190 16.497 0.324) 17.298 19.585 ( 3.629 5.723 -3.269) 7.524 20.207 ( -6.852 -6.509 4.622) 10.521 20.381 ( 1.661 -2.151 3.986) 4.824 20.644 ( -9.440 -0.714 -6.273) 11.357 20.916 ( -5.533 2.195 6.881) 9.098 21.290 ( 8.719 -6.576 -4.406) 11.776 21.644 ( -1.602 -6.970 -1.349) 7.278 ======================= Grid point 212 (104/125) ======================= q-point: ( 0.33 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -10.577 4.639 15.487) 19.319 1.940 ( -3.659 12.238 4.209) 13.449 2.182 ( -2.779 7.715 -8.742) 11.986 2.361 ( -10.275 0.364 -10.640) 14.796 2.874 ( 3.501 3.028 3.721) 5.939 2.977 ( 1.394 -0.133 3.970) 4.210 3.028 ( 1.754 -0.231 3.168) 3.628 3.163 ( -2.442 2.225 1.045) 3.465 3.395 ( -1.251 5.256 1.923) 5.735 3.408 ( -4.553 4.064 6.129) 8.649 3.602 ( 4.333 0.198 -1.306) 4.530 3.791 ( -15.233 11.126 14.983) 24.089 3.835 ( -2.738 -2.107 2.484) 4.255 4.077 ( -2.200 0.623 -9.559) 9.829 4.092 ( -0.609 -3.767 -1.219) 4.006 4.346 ( -0.218 -2.743 4.590) 5.352 4.431 ( 3.931 -3.128 -15.552) 16.343 4.580 ( 4.726 1.540 -3.501) 6.079 4.899 ( -1.330 8.041 -13.158) 15.478 4.972 ( -4.308 -4.556 4.155) 7.522 5.109 ( 5.198 -1.989 7.266) 9.152 5.359 ( 8.855 -7.466 -8.202) 14.192 5.669 ( -0.074 -2.969 1.425) 3.294 5.930 ( -2.394 -0.344 1.653) 2.929 6.139 ( 0.143 4.099 -0.034) 4.102 6.282 ( -3.356 3.748 -0.541) 5.060 6.422 ( 5.210 -4.963 3.872) 8.171 7.146 ( -6.742 10.892 -0.409) 12.816 7.675 ( -0.038 -1.378 1.972) 2.406 7.857 ( -0.899 -2.360 3.441) 4.268 8.028 ( 4.761 1.450 -3.211) 5.923 8.185 ( -3.095 -2.074 -5.471) 6.619 8.373 ( -6.980 1.130 1.585) 7.247 8.578 ( 5.436 -2.965 -0.322) 6.200 8.769 ( 2.676 4.177 -2.446) 5.531 8.955 ( 3.266 0.166 -9.148) 9.715 9.147 ( -2.979 -5.721 -1.947) 6.737 9.383 ( 7.337 -5.620 5.319) 10.663 9.666 ( 0.546 -5.952 9.776) 11.458 9.945 ( 1.317 2.365 1.013) 2.890 10.077 ( 6.214 -4.085 3.144) 8.074 10.322 ( -1.744 -1.101 -3.020) 3.657 10.490 ( 7.792 -8.787 -3.332) 12.208 10.869 ( 6.812 5.012 -4.138) 9.415 11.049 ( -9.400 1.375 -3.295) 10.056 11.204 ( -7.942 5.425 -1.936) 9.811 11.489 ( -0.771 4.222 1.613) 4.585 11.784 ( -1.788 -2.715 -1.508) 3.583 11.940 ( -0.059 -0.422 -2.185) 2.226 12.326 ( -0.391 1.069 7.278) 7.367 12.814 ( -0.397 2.588 -3.712) 4.542 13.267 ( 5.933 -0.370 -1.564) 6.147 13.365 ( 6.992 -5.153 2.214) 8.964 13.630 ( -2.308 7.396 2.465) 8.130 13.711 ( -3.929 -5.646 -2.905) 7.467 13.999 ( 6.897 -6.471 0.765) 9.488 14.099 ( 3.813 -6.864 -1.706) 8.035 14.321 ( -3.741 0.173 -6.644) 7.627 15.192 ( 6.331 -17.152 4.185) 18.756 15.637 ( 15.419 -1.198 10.553) 18.723 15.869 ( 0.314 -0.029 1.906) 1.932 16.424 ( -1.297 7.844 2.119) 8.228 16.791 ( -12.076 -11.131 -8.104) 18.314 17.184 ( 7.498 14.011 3.645) 16.304 17.699 ( -14.463 0.792 12.410) 19.074 18.173 ( 0.623 22.434 -9.472) 24.360 18.269 ( -14.779 11.770 -1.815) 18.981 18.866 ( -5.884 10.246 -7.186) 13.829 19.085 ( -21.827 9.384 -0.887) 23.775 20.239 ( 4.943 -7.545 18.928) 20.968 20.583 ( 11.563 -7.465 4.853) 14.594 20.917 ( 6.809 -7.223 -6.200) 11.704 21.087 ( 2.405 -4.325 7.380) 8.886 21.458 ( 1.372 -2.987 -7.039) 7.768 22.224 ( 13.721 -16.654 -4.931) 22.135 ======================= Grid point 213 (105/125) ======================= q-point: ( 0.44 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 1.067 8.916 15.721) 18.105 2.062 ( -0.549 11.296 -0.610) 11.326 2.105 ( -7.289 6.861 -11.059) 14.916 2.282 ( -1.181 9.966 -2.267) 10.288 2.929 ( -2.830 -1.744 4.867) 5.893 2.973 ( 0.550 4.137 2.079) 4.663 3.116 ( 1.758 2.313 -2.675) 3.949 3.172 ( 1.371 -0.014 -1.752) 2.224 3.342 ( -4.071 -2.544 1.046) 4.913 3.414 ( 0.594 0.502 -3.851) 3.929 3.652 ( -0.237 5.896 10.838) 12.341 3.737 ( -2.802 1.962 6.447) 7.298 3.876 ( -3.917 10.686 15.531) 19.255 4.001 ( -0.550 -4.712 -5.693) 7.411 4.070 ( -1.060 3.304 -0.823) 3.566 4.311 ( -0.707 -3.394 1.714) 3.868 4.417 ( 2.612 2.191 -18.662) 18.971 4.633 ( 0.844 3.144 -10.295) 10.797 4.825 ( -6.011 -5.737 3.685) 9.089 4.962 ( 4.116 2.002 -3.952) 6.047 5.185 ( 2.941 -5.164 9.533) 11.234 5.352 ( 1.877 -6.431 -7.555) 10.097 5.628 ( 0.234 -2.168 -0.723) 2.298 5.952 ( 3.724 -2.203 3.730) 5.713 6.126 ( -5.620 4.076 -1.687) 7.145 6.279 ( -0.858 4.309 -1.078) 4.524 6.447 ( 2.240 -5.768 2.339) 6.615 7.178 ( -3.906 14.864 -2.478) 15.567 7.717 ( 4.006 0.654 2.030) 4.538 7.798 ( -2.786 -5.648 1.980) 6.601 8.103 ( 4.070 3.434 -3.551) 6.400 8.152 ( 2.269 1.131 -3.950) 4.693 8.276 ( -4.766 -0.089 3.256) 5.773 8.619 ( 1.456 -0.725 -4.773) 5.043 8.724 ( -3.740 -6.178 -1.280) 7.334 9.031 ( 6.484 -0.413 -6.553) 9.228 9.103 ( -2.401 3.615 0.973) 4.447 9.360 ( -1.214 -10.385 5.570) 11.847 9.696 ( 9.772 -9.599 4.785) 14.510 9.969 ( -5.831 1.989 6.575) 9.011 10.119 ( 3.009 -6.087 -0.071) 6.790 10.245 ( 0.126 -5.928 -1.648) 6.154 10.561 ( 5.419 -2.135 -2.786) 6.457 10.811 ( -8.858 -0.441 -5.070) 10.216 11.027 ( 2.607 4.546 -4.076) 6.639 11.134 ( -2.472 4.402 0.734) 5.102 11.564 ( 0.674 8.342 0.320) 8.375 11.776 ( -0.562 1.646 0.567) 1.829 11.928 ( 0.572 -0.914 -1.792) 2.091 12.327 ( -0.963 -1.082 4.633) 4.854 12.813 ( -0.881 2.610 -3.784) 4.681 13.230 ( -2.273 -9.850 0.716) 10.134 13.448 ( 2.572 -7.009 0.216) 7.469 13.603 ( 1.056 3.473 -4.448) 5.741 13.728 ( 1.761 7.068 1.846) 7.514 13.995 ( 2.138 -11.649 -0.717) 11.865 14.104 ( 5.885 -7.025 1.455) 9.279 14.188 ( -6.568 -2.690 -1.941) 7.358 15.218 ( 9.756 -11.635 7.487) 16.929 15.767 ( -4.792 -4.400 -0.269) 6.511 15.966 ( 10.065 5.233 1.205) 11.407 16.409 ( -10.426 -10.757 9.547) 17.765 16.591 ( 7.787 6.031 -13.990) 17.109 17.269 ( -10.760 2.199 6.922) 12.981 17.671 ( -1.207 12.977 5.273) 14.059 18.221 ( -1.507 14.843 -3.016) 15.221 18.359 ( -5.964 23.081 -6.543) 24.721 18.804 ( -16.266 9.200 -0.911) 18.710 19.009 ( 7.717 16.978 -3.583) 18.991 20.250 ( -2.472 -11.686 18.387) 21.926 20.702 ( 7.599 -6.128 3.332) 10.315 20.870 ( -0.035 -8.997 -5.643) 10.620 21.140 ( 6.656 -6.232 6.145) 10.996 21.398 ( -0.752 -3.890 -7.491) 8.474 22.201 ( 7.227 -20.828 -3.283) 22.289 ======================= Grid point 214 (106/125) ======================= q-point: ( 0.56 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 7.685 9.372 10.692) 16.162 1.951 ( -6.218 6.015 -15.005) 17.320 2.246 ( 2.203 14.425 -2.779) 14.855 2.361 ( -2.383 9.130 4.019) 10.256 2.864 ( -2.404 -1.585 -3.350) 4.418 3.017 ( 0.857 -2.198 3.921) 4.576 3.108 ( -2.605 -0.037 -1.298) 2.911 3.170 ( 0.614 3.516 -0.797) 3.658 3.309 ( -1.515 -0.241 7.536) 7.690 3.436 ( 4.927 1.506 -8.181) 9.668 3.688 ( 0.436 -2.309 -3.563) 4.268 3.822 ( 2.413 2.440 6.106) 7.004 3.924 ( 0.748 -7.044 1.880) 7.329 4.040 ( -0.221 8.729 10.660) 13.780 4.086 ( -3.094 9.917 12.228) 16.045 4.299 ( -0.563 0.680 0.855) 1.229 4.404 ( 2.095 0.333 -12.640) 12.817 4.585 ( -5.520 5.574 -9.141) 12.046 4.723 ( 0.577 -2.405 0.743) 2.583 5.005 ( 2.973 -9.217 3.248) 10.215 5.179 ( -1.981 -1.098 1.719) 2.843 5.268 ( 1.204 -4.624 -11.124) 12.107 5.651 ( 2.939 -0.810 -0.618) 3.111 5.992 ( -0.101 -1.706 4.960) 5.246 6.062 ( -3.376 2.143 1.430) 4.247 6.313 ( 1.295 0.506 -0.743) 1.576 6.417 ( -0.451 -2.211 -0.495) 2.311 7.272 ( 0.705 11.694 -5.234) 12.832 7.711 ( -1.518 -2.361 -0.691) 2.891 7.811 ( 3.308 2.215 2.813) 4.874 8.097 ( -5.350 0.275 -3.622) 6.467 8.258 ( 3.965 5.872 1.575) 7.259 8.302 ( 1.737 5.344 1.105) 5.727 8.547 ( -2.090 -1.036 -0.429) 2.372 8.668 ( 1.972 -5.684 6.205) 8.642 8.899 ( -7.977 -10.805 -8.577) 15.936 9.123 ( -2.637 1.023 6.201) 6.816 9.344 ( 4.743 -6.064 -2.756) 8.177 9.759 ( 4.835 -5.253 -2.840) 7.684 9.876 ( -4.962 -1.850 10.669) 11.911 10.072 ( 1.235 -7.113 -3.994) 8.251 10.211 ( 2.670 -6.103 0.780) 6.707 10.554 ( -4.302 0.819 -2.118) 4.864 10.737 ( 4.184 -1.027 -8.900) 9.888 11.056 ( 0.639 1.942 4.167) 4.642 11.247 ( 2.409 11.446 1.345) 11.774 11.650 ( -1.745 9.058 -3.120) 9.738 11.772 ( -2.775 2.507 2.563) 4.534 11.883 ( -3.179 -4.968 1.840) 6.179 12.342 ( 1.538 0.036 3.430) 3.759 12.786 ( 0.218 -5.044 -3.408) 6.091 13.097 ( 0.624 -8.581 2.184) 8.877 13.410 ( -1.363 0.794 -2.002) 2.548 13.641 ( 0.361 -1.342 -5.101) 5.287 13.808 ( -2.706 6.089 3.615) 7.581 13.905 ( 4.075 -11.114 -2.252) 12.050 14.038 ( -3.236 -5.986 3.372) 7.595 14.181 ( 3.896 -0.626 3.777) 5.462 15.244 ( -1.261 -8.985 0.454) 9.085 15.670 ( 1.821 -3.274 2.443) 4.473 15.958 ( -7.622 -7.768 -12.150) 16.312 16.290 ( 0.871 3.500 7.622) 8.432 16.875 ( 18.448 4.998 -3.341) 19.403 17.086 ( -9.806 1.246 0.752) 9.913 17.808 ( 2.462 4.179 8.384) 9.686 18.341 ( -15.003 18.986 -8.995) 25.816 18.422 ( 4.083 19.457 -1.488) 19.936 18.817 ( 0.767 12.744 3.829) 13.329 19.315 ( 4.413 19.866 -1.003) 20.375 20.132 ( 1.834 -15.822 8.603) 18.103 20.684 ( -4.837 -13.880 -5.052) 15.543 20.755 ( 5.061 -6.060 -1.848) 8.109 21.199 ( 3.182 -6.874 6.685) 10.103 21.310 ( -4.625 1.234 -3.453) 5.902 22.046 ( 0.173 -19.579 -1.731) 19.656 ======================= Grid point 215 (107/125) ======================= q-point: ( 0.67 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -4.259 5.581 -6.311) 9.440 1.996 ( 8.903 7.815 -2.462) 12.100 2.404 ( 2.938 4.460 -1.580) 5.569 2.418 ( -2.532 13.852 2.693) 14.337 2.804 ( 2.739 -7.252 -2.099) 8.031 3.018 ( -2.551 -4.368 0.112) 5.060 3.043 ( 0.684 0.142 1.614) 1.759 3.250 ( 2.133 6.820 -0.435) 7.159 3.353 ( -1.834 6.166 11.358) 13.053 3.526 ( 5.918 2.870 -11.214) 13.001 3.657 ( 1.587 -2.386 -5.234) 5.967 3.798 ( -3.476 -2.794 0.799) 4.531 3.870 ( -0.775 -8.913 2.907) 9.407 4.072 ( -9.663 -8.311 7.322) 14.699 4.121 ( 0.296 7.221 3.388) 7.982 4.367 ( -1.676 5.622 10.287) 11.843 4.467 ( 7.721 3.661 0.851) 8.587 4.558 ( -0.153 9.540 -11.986) 15.320 4.785 ( 3.442 -2.921 5.688) 7.262 4.952 ( 3.859 -5.469 5.416) 8.610 5.138 ( -3.332 1.306 -6.168) 7.131 5.205 ( 1.838 -2.764 -12.559) 12.990 5.663 ( -1.059 0.765 -0.286) 1.337 5.965 ( -3.956 0.922 2.997) 5.048 6.086 ( 3.208 -1.494 6.837) 7.698 6.280 ( -1.032 -6.273 -1.036) 6.441 6.420 ( 0.106 3.385 -2.854) 4.429 7.394 ( 6.871 4.800 -5.225) 9.877 7.688 ( -1.083 2.396 -1.853) 3.217 7.887 ( -2.155 4.301 3.306) 5.837 8.032 ( -1.575 6.555 0.852) 6.795 8.185 ( -7.150 -4.002 -6.070) 10.198 8.444 ( 2.012 3.953 4.371) 6.227 8.538 ( -1.859 -1.538 1.461) 2.821 8.633 ( -3.337 -8.569 -2.153) 9.444 8.769 ( 3.395 -0.665 8.260) 8.956 8.966 ( -6.642 -6.364 1.040) 9.257 9.349 ( 1.654 -4.017 -1.393) 4.562 9.758 ( -4.820 -1.717 10.374) 11.567 9.885 ( 5.383 2.322 -9.357) 11.042 10.015 ( 0.207 -4.722 -1.042) 4.840 10.198 ( 4.553 -9.425 0.976) 10.512 10.484 ( -1.956 4.164 -7.748) 9.010 10.810 ( 7.362 -0.571 -4.940) 8.884 11.116 ( -0.805 3.155 7.248) 7.945 11.435 ( 4.657 11.161 3.410) 12.565 11.595 ( -9.370 4.756 -6.463) 12.336 11.700 ( -5.511 -4.021 0.868) 6.877 11.846 ( 0.181 1.653 7.573) 7.753 12.389 ( 1.977 -1.470 2.278) 3.355 12.725 ( 4.642 -10.572 -1.442) 11.636 13.119 ( 3.289 1.793 0.461) 3.774 13.324 ( -8.644 -0.857 -1.363) 8.793 13.549 ( -4.716 -5.226 1.516) 7.200 13.846 ( -1.811 3.667 8.094) 9.069 13.885 ( 2.340 -4.418 -6.118) 7.901 13.978 ( 2.116 -1.613 -1.492) 3.050 14.264 ( 2.740 1.374 5.654) 6.431 15.022 ( -8.610 -10.723 -4.064) 14.339 15.635 ( -2.181 -7.765 -17.844) 19.582 15.819 ( 5.117 -0.896 5.153) 7.317 16.408 ( -0.225 4.160 13.956) 14.564 16.898 ( -5.881 5.166 -6.936) 10.459 17.347 ( 23.357 5.464 -5.444) 24.597 17.865 ( 1.664 -7.448 7.256) 10.530 18.266 ( -10.947 16.948 -0.202) 20.177 18.711 ( 8.897 15.457 -5.660) 18.711 18.883 ( -6.222 4.790 4.762) 9.183 19.548 ( 0.465 19.772 0.136) 19.778 20.135 ( 10.923 -13.548 4.184) 17.898 20.422 ( -4.981 -12.060 -7.581) 15.091 20.764 ( 3.888 -3.997 -6.233) 8.364 21.148 ( -1.414 -7.402 0.683) 7.567 21.234 ( -9.028 4.010 7.779) 12.574 21.830 ( -4.419 -13.736 -0.541) 14.439 ======================= Grid point 216 (108/125) ======================= q-point: (-0.22 -0.44 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -1.076 6.370 -5.966) 8.793 2.206 ( 9.927 2.109 1.084) 10.206 2.420 ( -2.638 1.341 4.402) 5.304 2.570 ( 3.934 9.692 -5.138) 11.653 2.777 ( 1.381 -8.326 4.123) 9.393 2.922 ( 2.355 -7.596 -6.229) 10.102 3.131 ( 3.726 4.692 3.889) 7.143 3.334 ( -2.081 6.179 0.511) 6.540 3.426 ( -1.481 6.728 4.127) 8.031 3.539 ( 2.347 -2.665 -11.603) 12.135 3.682 ( -5.165 -1.264 3.258) 6.236 3.719 ( -0.434 4.552 -6.093) 7.618 3.743 ( -5.713 -4.312 3.435) 7.939 3.840 ( -2.249 -12.589 6.899) 14.530 4.207 ( -3.259 5.180 3.746) 7.175 4.355 ( -0.549 -1.576 8.751) 8.908 4.537 ( 0.350 -1.512 -11.636) 11.739 4.733 ( 6.942 7.898 1.710) 10.653 4.766 ( 4.269 -7.575 -0.074) 8.695 5.004 ( -5.777 -3.647 -5.205) 8.589 5.143 ( 7.234 6.675 13.541) 16.740 5.222 ( 3.326 5.855 -10.318) 12.321 5.663 ( -0.374 2.827 0.077) 2.853 5.882 ( -6.501 -1.869 0.985) 6.835 6.158 ( 2.298 -4.388 -2.414) 5.510 6.195 ( 0.116 -1.758 5.789) 6.051 6.425 ( -1.288 1.234 -2.990) 3.481 7.575 ( 10.352 3.177 -3.300) 11.320 7.696 ( -0.671 2.788 1.810) 3.391 7.860 ( -2.781 2.175 -0.547) 3.572 7.988 ( -4.064 -8.356 -4.369) 10.268 8.165 ( 0.001 13.141 3.988) 13.733 8.363 ( -5.684 3.105 -2.398) 6.906 8.474 ( -5.757 -17.810 -0.400) 18.721 8.544 ( -2.094 -2.030 -3.599) 4.632 8.703 ( -0.661 3.577 13.313) 13.801 9.054 ( 5.558 -1.367 -4.038) 7.004 9.276 ( -1.971 -3.665 7.165) 8.286 9.723 ( -3.312 7.686 -7.995) 11.574 9.874 ( -4.240 -2.808 1.807) 5.397 9.960 ( -0.028 -5.263 0.598) 5.297 10.274 ( 11.166 -5.119 3.623) 12.807 10.528 ( 2.385 9.051 -8.799) 12.847 10.892 ( 3.864 -3.416 -3.381) 6.167 11.140 ( -2.292 3.667 8.764) 9.773 11.414 ( -5.495 -3.825 -3.513) 7.561 11.597 ( -3.124 3.376 -1.133) 4.737 11.670 ( 4.446 6.184 2.591) 8.045 11.912 ( 1.995 4.095 3.852) 5.965 12.308 ( -7.916 -9.418 -0.176) 12.304 12.769 ( 10.942 -5.694 0.202) 12.336 13.140 ( -8.078 9.347 -3.013) 12.717 13.240 ( 2.404 -2.031 2.931) 4.301 13.406 ( -8.038 -1.623 4.092) 9.164 13.644 ( -9.784 -9.950 -0.782) 13.976 14.007 ( 4.620 2.142 -3.396) 6.121 14.073 ( 4.638 8.417 3.545) 10.243 14.345 ( 2.348 1.776 3.520) 4.589 14.764 ( -4.403 -11.815 -5.368) 13.704 15.534 ( 7.607 -7.296 -13.545) 17.163 15.903 ( -1.193 3.428 3.760) 5.226 16.408 ( -7.780 -2.104 14.444) 16.540 16.923 ( 4.032 9.655 -10.552) 14.860 17.628 ( 0.516 -1.391 -2.645) 3.032 17.910 ( 16.041 -4.798 -2.369) 16.910 18.284 ( -4.347 9.660 10.006) 14.571 18.704 ( -8.172 -1.943 0.765) 8.434 19.093 ( 13.349 14.286 -4.705) 20.110 19.641 ( -3.993 0.423 -1.614) 4.328 20.209 ( 4.540 -2.656 6.648) 8.478 20.273 ( 1.660 -7.179 -4.912) 8.855 20.735 ( -2.713 -0.256 -10.688) 11.030 21.076 ( 2.757 -9.519 5.031) 11.113 21.144 ( -8.911 7.592 4.629) 12.588 21.641 ( -5.342 -5.223 0.290) 7.477 ======================= Grid point 221 (109/125) ======================= q-point: ( 0.33 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -13.574 1.942 9.761) 16.832 2.034 ( 2.121 8.320 -4.366) 9.633 2.366 ( -7.134 8.601 1.992) 11.351 2.493 ( -8.606 -0.358 -6.308) 10.677 2.775 ( 10.143 0.556 2.144) 10.382 2.955 ( 2.696 -2.953 7.002) 8.063 3.091 ( -4.480 2.258 -3.315) 6.014 3.251 ( -5.001 3.842 -0.082) 6.308 3.413 ( 3.890 1.351 4.581) 6.160 3.466 ( -0.675 2.783 -5.244) 5.975 3.575 ( 1.669 3.236 6.607) 7.544 3.829 ( -2.139 -5.061 -2.758) 6.148 3.900 ( 7.750 -6.243 -1.452) 10.057 4.118 ( -4.620 -5.656 1.096) 7.385 4.184 ( -0.059 -0.786 -6.765) 6.811 4.368 ( -2.744 5.777 2.810) 6.986 4.431 ( -9.807 7.374 9.671) 15.623 4.531 ( -1.378 0.908 -4.814) 5.089 4.890 ( 6.670 -4.817 -9.048) 12.229 4.995 ( 5.362 -0.317 7.049) 8.862 5.082 ( -4.835 2.239 -4.486) 6.965 5.136 ( 3.109 2.752 -4.963) 6.471 5.656 ( -0.625 -1.009 1.249) 1.723 5.983 ( -4.094 -3.248 -0.026) 5.226 6.133 ( 4.161 2.131 -0.237) 4.681 6.287 ( 4.014 -3.992 -2.142) 6.053 6.367 ( -0.936 2.371 5.200) 5.791 7.336 ( -1.268 8.702 3.675) 9.531 7.672 ( -1.491 0.822 0.774) 1.870 7.911 ( -5.754 -1.968 -0.039) 6.082 8.037 ( -3.121 4.104 0.278) 5.163 8.141 ( 1.029 -6.218 0.522) 6.324 8.476 ( 2.807 -3.009 6.283) 7.511 8.487 ( -5.624 -1.205 -1.764) 6.017 8.689 ( 9.953 -3.310 -7.182) 12.712 8.886 ( 2.283 -5.665 -8.085) 10.133 8.979 ( 0.421 -0.222 -3.052) 3.089 9.358 ( -0.197 1.207 -2.535) 2.814 9.705 ( -5.478 -6.781 13.969) 16.465 9.885 ( 3.808 2.098 -3.710) 5.716 10.009 ( 3.842 2.502 0.236) 4.591 10.224 ( 11.583 -1.663 -3.353) 12.173 10.406 ( -6.369 -2.293 3.333) 7.545 10.790 ( 6.440 5.541 -1.242) 8.586 11.156 ( -1.639 3.114 0.363) 3.537 11.472 ( -9.473 10.521 -1.337) 14.220 11.531 ( -5.496 -4.857 3.704) 8.217 11.725 ( 0.836 -8.631 -3.689) 9.423 11.922 ( -2.198 0.471 -4.616) 5.134 12.384 ( 1.226 1.269 3.739) 4.135 12.723 ( 11.656 -0.571 -1.584) 11.777 13.129 ( 0.737 1.880 -1.058) 2.280 13.313 ( -3.003 -5.857 0.216) 6.586 13.589 ( 2.265 -5.101 -4.974) 7.476 13.796 ( 3.840 3.106 7.435) 8.926 13.929 ( -3.542 2.276 -4.856) 6.427 13.963 ( 1.544 -5.561 1.723) 6.023 14.360 ( -1.855 2.610 -10.061) 10.558 14.973 ( 2.690 -15.258 4.318) 16.084 15.417 ( 10.382 -4.335 15.303) 18.994 15.855 ( 3.501 4.514 0.560) 5.740 16.566 ( -1.386 10.520 -8.259) 13.446 16.839 ( -10.522 -13.094 -0.710) 16.813 17.256 ( 7.107 20.943 7.614) 23.390 17.871 ( 0.888 -1.802 6.940) 7.225 18.348 ( -11.400 5.782 -12.358) 17.779 18.648 ( -10.247 13.303 4.107) 17.287 18.946 ( -7.626 -5.066 -5.353) 10.606 19.547 ( -15.865 9.507 0.497) 18.503 20.154 ( 12.253 4.967 2.863) 13.528 20.318 ( 9.372 -8.052 7.236) 14.318 20.707 ( 6.211 -4.757 2.511) 8.217 21.075 ( 1.854 -1.427 7.771) 8.115 21.387 ( -3.906 -5.496 -11.712) 13.514 21.846 ( 9.653 -11.427 -3.162) 15.289 ======================= Grid point 222 (110/125) ======================= q-point: ( 0.44 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -4.794 5.717 12.234) 14.330 2.142 ( 0.398 10.273 -4.804) 11.348 2.290 ( -9.495 5.691 -5.710) 12.456 2.419 ( -1.166 8.806 4.379) 9.904 2.975 ( 8.709 2.335 0.900) 9.061 2.983 ( 1.250 -3.037 3.342) 4.685 3.057 ( -2.524 4.828 -3.364) 6.403 3.203 ( -4.307 1.522 -0.882) 4.652 3.360 ( -3.558 -1.699 -12.190) 12.812 3.444 ( -5.756 -0.516 4.798) 7.511 3.662 ( 1.674 2.046 5.568) 6.163 3.771 ( 2.715 -4.581 5.651) 7.765 3.875 ( 1.349 -9.460 -1.981) 9.759 4.064 ( 1.914 -1.137 -2.309) 3.207 4.163 ( 1.638 -1.776 -3.559) 4.302 4.358 ( -10.140 12.562 11.267) 19.687 4.397 ( -0.468 1.647 -5.423) 5.687 4.584 ( 2.838 4.352 -1.591) 5.433 4.898 ( 0.806 -2.534 -0.351) 2.682 4.957 ( -7.077 0.941 -3.610) 8.000 5.113 ( 3.414 1.276 -1.120) 3.812 5.227 ( 5.930 -1.948 2.304) 6.653 5.620 ( -2.085 -1.316 -1.550) 2.912 5.902 ( -0.323 -3.151 1.213) 3.392 6.206 ( 0.885 3.113 -1.211) 3.456 6.285 ( 1.571 -5.535 0.280) 5.761 6.381 ( -0.225 1.203 -0.268) 1.253 7.411 ( -5.635 13.152 1.560) 14.393 7.676 ( 1.121 -0.187 0.743) 1.358 7.819 ( -2.325 -1.618 2.317) 3.660 8.047 ( 1.243 3.745 -6.537) 7.636 8.095 ( 1.820 -3.739 0.489) 4.188 8.339 ( -2.056 -4.640 4.971) 7.104 8.562 ( 1.847 0.417 0.773) 2.046 8.705 ( -2.896 -2.389 -12.869) 13.405 8.842 ( 9.748 -11.434 -3.723) 15.479 9.079 ( 6.527 5.234 -2.651) 8.776 9.393 ( 1.223 0.495 2.896) 3.183 9.523 ( -6.955 -12.551 11.989) 18.699 9.950 ( 3.413 -1.812 -2.482) 4.593 10.090 ( 4.908 -1.275 -2.625) 5.710 10.298 ( -9.837 0.759 9.425) 13.645 10.410 ( 9.535 2.677 -3.255) 10.425 10.929 ( 0.484 1.950 -1.381) 2.438 11.048 ( -6.494 2.577 -4.245) 8.175 11.276 ( -10.304 2.356 2.711) 10.912 11.578 ( 4.550 1.004 -1.025) 4.771 11.744 ( 5.405 2.219 -1.620) 6.064 11.877 ( -0.696 -0.940 -4.507) 4.657 12.396 ( -1.488 -0.411 3.057) 3.425 12.820 ( -0.681 0.413 -1.761) 1.932 13.139 ( 0.618 -13.562 1.219) 13.631 13.277 ( 7.170 3.559 -2.911) 8.517 13.536 ( 2.456 -8.318 -4.954) 9.988 13.831 ( -0.661 -5.808 -5.645) 8.126 13.885 ( -0.239 3.640 6.380) 7.349 13.992 ( 0.769 -0.219 3.809) 3.892 14.278 ( -5.364 1.321 -3.601) 6.594 14.982 ( 9.326 -9.421 9.305) 16.197 15.707 ( 15.087 1.455 7.196) 16.778 15.856 ( -2.637 -1.500 -2.159) 3.724 16.472 ( -7.512 -9.081 -14.790) 18.911 16.670 ( -6.493 10.561 5.597) 13.602 17.496 ( -5.866 5.861 11.097) 13.853 17.883 ( -3.698 12.047 5.905) 13.917 18.251 ( 3.283 3.404 -15.894) 16.582 18.722 ( -9.602 21.725 2.494) 23.883 18.792 ( 3.932 -5.088 -1.517) 6.607 19.353 ( -16.979 14.423 0.402) 22.282 20.325 ( -1.222 -2.667 11.440) 11.810 20.474 ( 13.333 -3.941 -4.224) 14.531 20.734 ( 1.473 -8.576 5.493) 10.290 21.050 ( -1.734 -4.121 1.938) 4.873 21.288 ( 4.657 -4.697 -8.353) 10.654 21.862 ( 8.480 -15.217 -1.331) 17.471 ======================= Grid point 223 (111/125) ======================= q-point: ( 0.56 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 2.831 7.376 9.296) 12.200 2.106 ( -8.418 6.956 -5.098) 12.051 2.318 ( 1.145 11.679 -4.028) 12.407 2.530 ( -1.093 8.988 6.317) 11.040 2.907 ( -7.153 -3.053 -8.565) 11.569 3.009 ( 0.221 -3.750 1.126) 3.922 3.107 ( 5.216 1.586 -4.657) 7.170 3.168 ( -1.406 -0.697 1.890) 2.457 3.321 ( 1.860 4.087 -4.554) 6.395 3.357 ( -2.083 -0.843 3.132) 3.855 3.656 ( -1.603 -3.107 -4.995) 6.096 3.819 ( 2.459 -0.906 5.329) 5.938 3.850 ( 1.749 -6.254 5.889) 8.766 4.065 ( 1.581 -0.115 -2.810) 3.227 4.203 ( 7.790 -4.301 -2.806) 9.330 4.386 ( -3.318 1.908 3.932) 5.487 4.399 ( -4.197 12.223 4.513) 13.689 4.638 ( -1.921 6.065 -0.852) 6.419 4.838 ( -5.626 3.767 1.005) 6.845 4.872 ( 0.597 -10.539 5.578) 11.939 5.134 ( 0.390 1.643 -10.502) 10.636 5.263 ( -2.033 -0.154 1.805) 2.723 5.600 ( 2.058 1.236 -1.818) 3.011 5.920 ( 3.997 -3.906 4.208) 6.995 6.197 ( -5.029 3.804 -0.859) 6.364 6.250 ( 1.777 -7.745 2.530) 8.340 6.392 ( 1.341 1.324 -5.339) 5.662 7.383 ( -6.231 4.298 -3.054) 8.162 7.720 ( 0.775 3.518 -0.917) 3.717 7.823 ( 1.069 5.472 2.126) 5.967 8.113 ( 3.196 0.253 -3.497) 4.744 8.161 ( 7.015 2.104 0.189) 7.326 8.359 ( 0.022 3.071 1.586) 3.456 8.532 ( -1.848 -7.879 -3.058) 8.651 8.593 ( 2.963 -2.028 2.416) 4.328 8.868 ( 1.990 -8.511 -5.785) 10.482 9.204 ( 3.860 0.607 -3.779) 5.436 9.261 ( -10.324 1.271 9.614) 14.164 9.530 ( 10.587 -9.743 3.957) 14.922 9.960 ( 2.482 -2.628 -3.012) 4.705 10.093 ( -5.930 -5.120 3.030) 8.400 10.148 ( -6.339 2.279 2.532) 7.196 10.561 ( 6.133 2.645 -2.738) 7.219 10.757 ( -11.443 -1.166 -2.484) 11.768 11.060 ( 0.629 2.302 -1.065) 2.613 11.295 ( 3.195 8.462 1.997) 9.262 11.693 ( 6.600 0.036 3.245) 7.355 11.829 ( 1.513 2.838 -4.418) 5.464 11.844 ( -0.744 0.036 -2.501) 2.609 12.379 ( -1.306 0.580 1.943) 2.412 12.683 ( -5.014 -13.408 -0.738) 14.334 13.065 ( 0.117 0.435 0.807) 0.924 13.417 ( 2.986 1.333 -1.374) 3.547 13.535 ( 8.188 -2.034 -6.899) 10.899 13.728 ( 0.356 -10.536 -2.537) 10.843 13.914 ( -2.331 0.410 3.706) 4.398 14.006 ( 0.343 -1.502 5.655) 5.862 14.217 ( -3.345 3.859 2.341) 5.618 15.127 ( 8.392 -4.936 7.343) 12.195 15.671 ( -5.802 -3.415 -4.723) 8.224 15.976 ( -0.865 -2.816 -2.028) 3.577 16.254 ( 3.355 -3.364 -5.018) 6.910 16.714 ( 1.979 8.647 -1.944) 9.081 17.340 ( -14.619 -1.363 7.779) 16.615 17.906 ( -5.357 6.440 -1.800) 8.568 18.463 ( 10.426 11.057 0.018) 15.198 18.725 ( -7.990 12.449 -1.546) 14.873 18.873 ( 2.315 5.301 -0.702) 5.827 19.383 ( 1.269 17.206 2.631) 17.452 20.191 ( -11.617 -5.564 6.363) 14.366 20.532 ( 3.494 -10.563 -12.678) 16.867 20.644 ( -0.630 -9.356 7.343) 11.910 21.038 ( 6.263 -6.665 -3.337) 9.736 21.355 ( 3.119 3.631 2.511) 5.405 21.826 ( 4.581 -13.818 0.582) 14.569 ======================= Grid point 224 (112/125) ======================= q-point: (-0.33 -0.33 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 3.473 1.059 5.177) 6.323 2.037 ( -6.064 11.985 -6.675) 14.998 2.434 ( 1.587 8.196 -0.064) 8.348 2.577 ( -2.107 5.872 -0.979) 6.315 2.723 ( -4.514 -5.707 -3.974) 8.291 2.964 ( -1.331 -8.688 -3.549) 9.479 3.114 ( -1.780 3.097 9.042) 9.722 3.216 ( 7.487 -3.869 -4.285) 9.454 3.366 ( 2.256 3.097 -0.784) 3.911 3.446 ( 3.110 7.743 -1.682) 8.513 3.584 ( 0.582 -1.756 -6.345) 6.609 3.781 ( -0.643 -10.187 1.988) 10.399 3.860 ( -0.701 0.663 3.673) 3.798 4.107 ( 3.330 -1.356 -0.130) 3.598 4.254 ( -6.582 -3.182 2.692) 7.790 4.333 ( 6.223 -1.692 -2.241) 6.827 4.506 ( 0.436 9.606 4.815) 10.753 4.647 ( -4.632 8.264 0.345) 9.480 4.741 ( -3.120 -16.137 10.553) 19.532 4.909 ( 3.126 9.084 8.363) 12.737 5.079 ( -1.298 0.469 -14.414) 14.480 5.237 ( -1.753 5.455 -4.569) 7.328 5.659 ( 1.928 1.367 -0.256) 2.377 5.959 ( 2.653 -4.902 6.082) 8.250 6.138 ( -4.426 1.576 -1.891) 5.065 6.212 ( 1.251 -5.690 3.437) 6.764 6.406 ( 1.627 1.070 -6.673) 6.951 7.331 ( 0.415 0.917 -3.436) 3.581 7.739 ( -1.229 4.768 -3.430) 6.001 7.959 ( 2.223 7.404 0.460) 7.745 8.139 ( -1.399 4.562 0.543) 4.802 8.201 ( -5.060 -8.056 -6.726) 11.651 8.347 ( 9.297 3.096 -1.068) 9.857 8.529 ( 0.759 -5.040 4.005) 6.482 8.614 ( -5.217 -14.840 0.724) 15.747 8.780 ( 3.397 8.620 9.192) 13.051 9.102 ( -9.269 1.248 -2.703) 9.735 9.314 ( 1.820 1.858 4.076) 4.835 9.660 ( 12.988 -3.999 -0.397) 13.595 9.907 ( -9.564 -4.215 9.313) 13.999 9.972 ( 1.145 0.027 -2.010) 2.313 10.099 ( -1.123 -2.443 -5.127) 5.789 10.569 ( -7.419 1.554 -2.560) 8.000 10.669 ( 5.961 0.709 -4.489) 7.496 11.115 ( 3.239 1.395 0.580) 3.574 11.447 ( 3.293 5.800 0.513) 6.690 11.717 ( -3.298 -6.517 2.922) 7.866 11.834 ( -3.615 7.865 -9.493) 12.847 11.879 ( 2.725 2.114 8.856) 9.504 12.364 ( -1.874 -0.835 1.248) 2.401 12.508 ( 3.213 -12.632 0.464) 13.043 13.126 ( 1.683 5.850 0.684) 6.125 13.422 ( -2.823 1.092 -2.522) 3.940 13.572 ( -2.079 -2.592 1.214) 3.537 13.703 ( 8.292 -4.355 -6.302) 11.289 13.889 ( 1.015 -0.239 5.087) 5.193 14.009 ( -2.576 0.384 3.214) 4.137 14.248 ( 1.301 0.061 7.174) 7.291 15.088 ( -8.192 -5.664 -1.044) 10.014 15.642 ( -6.073 -0.009 -11.069) 12.625 15.698 ( -0.394 -5.262 -5.801) 7.842 16.410 ( 8.279 1.347 6.244) 10.457 16.973 ( 18.479 6.432 -3.218) 19.829 17.095 ( -12.576 -1.632 2.133) 12.859 17.857 ( -3.062 -1.763 1.122) 3.707 18.594 ( -11.201 7.232 -3.685) 13.833 18.719 ( 4.285 9.894 0.125) 10.783 19.029 ( 1.511 5.984 4.903) 7.883 19.601 ( 6.383 4.431 1.358) 7.888 19.998 ( -4.647 -1.404 2.339) 5.389 20.342 ( -3.255 -9.432 -9.311) 13.648 20.626 ( 3.709 -5.373 -1.387) 6.674 21.056 ( 3.996 -5.093 -4.825) 8.073 21.422 ( -3.332 3.109 8.709) 9.830 21.767 ( -0.021 -5.627 1.554) 5.837 ======================= Grid point 225 (113/125) ======================= q-point: (-0.22 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -0.803 -0.956 4.382) 4.556 2.089 ( 2.114 7.583 -7.565) 10.918 2.519 ( -3.923 2.375 7.338) 8.653 2.597 ( -0.183 -1.586 -6.476) 6.670 2.642 ( 6.494 0.799 -2.396) 6.968 2.821 ( -2.310 -8.482 0.845) 8.832 3.172 ( -0.705 4.460 5.610) 7.202 3.244 ( 6.986 -9.207 -9.067) 14.690 3.446 ( 1.226 4.032 -3.464) 5.455 3.527 ( 0.600 3.861 1.319) 4.124 3.624 ( 4.029 2.595 -3.351) 5.848 3.676 ( 0.688 -9.552 -0.970) 9.626 3.846 ( -2.826 0.812 3.470) 4.548 4.042 ( -14.465 0.498 8.734) 16.905 4.155 ( 6.267 -5.697 -3.263) 9.076 4.428 ( 0.775 1.957 -3.589) 4.161 4.512 ( 0.139 -11.359 2.769) 11.693 4.624 ( -6.050 1.396 1.323) 6.348 4.711 ( 4.875 4.711 6.496) 9.389 5.006 ( 0.214 3.786 -7.873) 8.738 5.144 ( 6.651 5.850 8.755) 12.454 5.283 ( -1.193 11.122 -1.284) 11.259 5.672 ( -0.016 -0.084 -2.169) 2.171 5.956 ( -2.235 -4.051 4.605) 6.528 6.049 ( 0.464 -5.502 -4.998) 7.448 6.226 ( -0.246 1.390 5.473) 5.653 6.407 ( 1.190 -0.699 -6.702) 6.842 7.413 ( 8.183 2.839 -2.738) 9.084 7.758 ( -1.429 5.039 -1.225) 5.379 7.929 ( -4.261 -11.972 -4.917) 13.626 7.981 ( -6.141 2.652 2.347) 7.089 8.286 ( 0.128 -5.997 -2.715) 6.584 8.365 ( 1.013 5.416 -3.104) 6.324 8.488 ( 3.214 1.847 -2.878) 4.693 8.510 ( -2.763 -3.290 4.846) 6.477 8.866 ( -8.321 7.617 6.446) 12.992 9.036 ( -2.275 2.552 3.540) 4.921 9.322 ( -1.069 -0.686 7.925) 8.026 9.739 ( -3.954 -5.202 -6.152) 8.974 9.898 ( 5.944 4.880 4.173) 8.749 9.997 ( 0.338 1.958 0.035) 1.988 10.022 ( 4.249 -6.911 0.051) 8.113 10.531 ( 0.925 5.565 -5.312) 7.749 10.756 ( 5.750 -1.235 -3.872) 7.041 11.187 ( 3.366 0.225 1.001) 3.519 11.468 ( -3.553 -3.240 1.443) 5.021 11.576 ( -4.767 -5.789 4.264) 8.627 11.817 ( -2.642 9.215 -9.393) 13.421 11.965 ( -0.475 3.392 6.648) 7.478 12.307 ( -2.157 -7.284 -0.740) 7.633 12.552 ( 8.239 0.294 2.500) 8.615 13.202 ( 1.660 -0.750 2.641) 3.208 13.353 ( -6.344 8.806 -2.861) 11.224 13.509 ( -3.158 -2.226 1.619) 4.189 13.712 ( -4.359 -3.519 -2.884) 6.302 13.942 ( 0.335 -0.690 -2.844) 2.945 14.072 ( 7.770 10.068 7.552) 14.791 14.300 ( 3.691 -5.706 9.787) 11.915 14.827 ( -13.833 -5.173 -2.397) 14.962 15.361 ( -2.806 -1.962 -19.618) 19.915 15.856 ( 8.681 0.844 -1.147) 8.796 16.547 ( -0.565 -2.634 16.118) 16.342 16.909 ( -3.861 1.988 -8.049) 9.146 17.383 ( 21.418 3.479 -8.815) 23.421 17.779 ( -1.972 -5.364 5.578) 7.985 18.446 ( -6.504 -2.090 2.466) 7.263 18.852 ( -1.898 4.266 -1.063) 4.788 19.042 ( -0.524 4.541 1.858) 4.934 19.633 ( -0.575 -9.477 2.081) 9.720 20.020 ( 8.300 -7.116 -2.558) 11.228 20.262 ( -0.379 6.399 -3.834) 7.470 20.650 ( 4.236 -0.301 -7.521) 8.638 21.037 ( -0.532 -2.034 -0.094) 2.104 21.361 ( -7.958 -0.710 7.334) 10.845 21.739 ( -4.620 6.242 2.574) 8.181 ======================= Grid point 275 (114/125) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -0.000 0.000 28.749) 28.749 1.189 ( -0.000 0.000 28.749) 28.749 2.154 ( 0.000 -0.000 -20.029) 20.029 2.154 ( 0.000 -0.000 -20.029) 20.029 2.265 ( -0.000 0.000 57.827) 57.827 2.940 ( -0.000 0.000 2.033) 2.033 3.017 ( -0.000 0.000 2.221) 2.221 3.017 ( -0.000 0.000 2.221) 2.221 3.282 ( 0.000 -0.000 -4.071) 4.071 3.472 ( 0.000 0.000 0.311) 0.311 3.472 ( -0.000 0.000 0.311) 0.311 3.676 ( 0.000 -0.000 -7.733) 7.733 3.676 ( 0.000 -0.000 -7.733) 7.733 3.897 ( -0.000 0.000 1.465) 1.465 4.199 ( 0.000 -0.000 -33.646) 33.646 4.501 ( -0.000 0.000 6.742) 6.742 4.501 ( -0.000 0.000 6.742) 6.742 4.516 ( 0.000 -0.000 -10.619) 10.619 5.050 ( 0.000 -0.000 -1.286) 1.286 5.050 ( 0.000 -0.000 -1.286) 1.286 5.462 ( -0.000 0.000 9.415) 9.415 5.462 ( -0.000 0.000 9.415) 9.415 5.811 ( 0.000 -0.000 -6.977) 6.977 5.811 ( 0.000 -0.000 -6.977) 6.977 5.942 ( -0.000 0.000 0.377) 0.377 6.103 ( 0.000 -0.000 -1.076) 1.076 6.699 ( -0.000 0.000 6.786) 6.786 6.719 ( 0.000 -0.000 -4.687) 4.687 7.813 ( 0.000 -0.000 -2.995) 2.995 7.813 ( 0.000 -0.000 -2.995) 2.995 8.027 ( -0.000 0.000 0.741) 0.741 8.027 ( -0.000 0.000 0.741) 0.741 8.058 ( -0.000 0.000 10.237) 10.237 8.855 ( 0.000 -0.000 -3.291) 3.291 9.129 ( 0.000 0.000 -1.023) 1.023 9.129 ( 0.000 -0.000 -1.023) 1.023 9.241 ( -0.000 0.000 6.683) 6.683 9.241 ( -0.000 0.000 6.683) 6.683 9.413 ( -0.000 0.000 6.917) 6.917 10.272 ( -0.000 0.000 5.729) 5.729 10.272 ( -0.000 0.000 5.729) 5.729 10.719 ( 0.000 -0.000 -10.387) 10.387 10.719 ( 0.000 -0.000 -10.387) 10.387 10.807 ( 0.000 -0.000 -15.490) 15.490 10.954 ( 0.000 -0.000 -1.035) 1.035 10.954 ( 0.000 -0.000 -1.035) 1.035 11.287 ( 0.000 -0.000 -2.554) 2.554 11.759 ( -0.000 0.000 1.262) 1.262 11.759 ( -0.000 0.000 1.262) 1.262 12.322 ( -0.000 0.000 16.794) 16.794 12.684 ( 0.000 -0.000 -2.496) 2.496 13.088 ( 0.000 -0.000 -0.944) 0.944 13.447 ( -0.000 0.000 3.856) 3.856 13.447 ( -0.000 0.000 3.856) 3.856 14.239 ( -0.000 0.000 0.208) 0.208 14.239 ( -0.000 0.000 0.208) 0.208 14.376 ( 0.000 -0.000 -0.136) 0.136 14.417 ( 0.000 -0.000 -4.025) 4.025 15.281 ( 0.000 -0.000 -0.438) 0.438 16.164 ( -0.000 0.000 1.213) 1.213 16.164 ( -0.000 0.000 1.213) 1.213 16.733 ( 0.000 -0.000 -4.388) 4.388 16.733 ( 0.000 -0.000 -4.388) 4.388 17.477 ( -0.000 0.000 0.060) 0.060 17.495 ( -0.000 0.000 0.227) 0.227 17.495 ( -0.000 0.000 0.227) 0.227 17.715 ( 0.000 -0.000 -0.703) 0.703 17.715 ( 0.000 -0.000 -0.703) 0.703 17.778 ( -0.000 0.000 1.254) 1.254 20.994 ( -0.000 0.000 2.552) 2.552 20.994 ( -0.000 0.000 2.552) 2.552 21.181 ( 0.000 -0.000 -0.456) 0.456 21.457 ( 0.000 -0.000 -1.354) 1.354 21.457 ( 0.000 -0.000 -1.354) 1.354 23.108 ( -0.000 0.000 0.452) 0.452 ======================= Grid point 276 (115/125) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -2.320 7.644 27.365) 28.507 1.450 ( 12.114 0.437 23.019) 26.016 2.020 ( 1.023 -4.626 -20.708) 21.243 2.168 ( 4.388 7.545 -18.819) 20.744 2.722 ( 16.754 8.990 47.971) 51.602 2.921 ( -2.829 -1.319 3.938) 5.025 3.013 ( -0.526 1.377 1.498) 2.102 3.052 ( 2.643 -1.312 -0.256) 2.962 3.191 ( -5.595 -2.072 -0.090) 5.967 3.421 ( -2.989 -0.304 0.726) 3.090 3.553 ( 2.975 -3.034 -4.096) 5.902 3.578 ( 2.993 2.138 2.797) 4.621 3.803 ( 5.588 5.063 -9.679) 12.269 3.882 ( -1.059 0.957 -1.530) 2.092 4.127 ( 6.991 3.330 -35.423) 36.260 4.412 ( -3.469 -3.111 -7.447) 8.785 4.478 ( -4.814 1.099 7.147) 8.687 4.577 ( 2.617 -2.800 4.600) 5.988 4.973 ( -4.383 -0.615 0.182) 4.430 5.059 ( -0.775 -1.365 -6.527) 6.713 5.296 ( -8.395 -4.769 13.629) 16.702 5.664 ( -2.824 0.491 -2.168) 3.594 5.707 ( 4.635 4.269 0.838) 6.357 5.802 ( -0.590 -5.814 -3.347) 6.734 6.031 ( 5.061 5.386 0.045) 7.391 6.106 ( 1.530 -0.155 -2.974) 3.348 6.650 ( -5.473 -3.525 6.779) 9.399 6.779 ( 6.495 4.016 -4.079) 8.657 7.743 ( -3.367 2.510 1.544) 4.474 7.862 ( 1.336 -1.306 -4.001) 4.416 8.016 ( 5.677 -5.094 0.304) 7.634 8.095 ( 1.504 5.260 -3.611) 6.555 8.170 ( 4.747 2.128 6.556) 8.369 8.700 ( -9.044 -5.597 -2.597) 10.948 8.988 ( -7.139 -9.419 3.883) 12.441 9.061 ( -0.301 -6.348 2.216) 6.731 9.208 ( -5.101 8.578 -2.898) 10.392 9.373 ( 3.647 5.552 4.041) 7.776 9.649 ( 11.501 1.245 5.654) 12.876 10.170 ( -11.489 -3.013 5.691) 13.171 10.280 ( 0.214 -2.483 4.751) 5.365 10.500 ( -10.430 -0.871 -10.484) 14.815 10.741 ( 2.879 -2.861 -9.120) 9.983 10.839 ( 1.682 2.972 -3.977) 5.242 10.909 ( -0.460 -2.932 -1.766) 3.453 10.966 ( 2.001 1.864 -5.450) 6.098 11.342 ( 4.155 3.940 -2.812) 6.379 11.755 ( 1.194 -1.415 1.143) 2.176 11.824 ( 3.490 3.303 1.246) 4.964 12.384 ( -0.586 -2.634 13.355) 13.625 12.685 ( 1.920 0.812 -3.959) 4.474 13.157 ( 4.918 4.383 -0.257) 6.592 13.445 ( 1.476 -3.702 3.906) 5.580 13.508 ( 0.412 5.185 1.761) 5.492 14.083 ( -11.133 -7.814 -0.642) 13.617 14.192 ( -2.603 -2.020 -0.529) 3.337 14.338 ( -5.449 -2.540 -2.887) 6.669 14.357 ( -1.772 -1.707 -0.173) 2.467 15.400 ( 7.670 3.566 -0.222) 8.462 15.971 ( -11.662 -6.047 2.197) 13.319 16.026 ( -10.398 -4.616 0.225) 11.378 16.716 ( -12.030 -4.388 -1.095) 12.852 16.760 ( 4.701 -1.195 1.133) 4.981 17.228 ( -8.703 4.665 4.449) 10.830 17.355 ( 1.169 1.564 -3.487) 3.996 17.552 ( 8.048 -0.690 1.917) 8.302 17.821 ( 11.458 -0.146 -1.723) 11.588 18.002 ( 23.337 14.870 -2.347) 27.771 18.370 ( 24.759 14.598 -2.390) 28.841 20.884 ( -11.242 -4.991 1.350) 12.374 20.980 ( -14.805 -2.051 11.218) 18.688 21.028 ( 0.510 -0.477 -1.184) 1.375 21.361 ( -6.477 -4.137 0.141) 7.687 21.470 ( 1.815 -2.914 -3.452) 4.869 22.920 ( -14.767 -8.569 -0.366) 17.077 ======================= Grid point 277 (116/125) ======================= q-point: ( 0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 2.571 11.185 21.487) 24.360 1.751 ( 10.815 1.640 6.876) 12.920 1.974 ( 8.213 -1.335 -13.438) 15.805 2.294 ( 7.402 9.864 -14.959) 19.387 2.863 ( -3.199 -2.188 3.917) 5.510 3.018 ( -0.606 0.194 4.620) 4.663 3.067 ( -0.121 -0.953 1.704) 1.956 3.127 ( -0.050 1.148 -0.934) 1.481 3.262 ( 12.613 3.882 22.887) 26.420 3.373 ( 0.165 -2.815 1.892) 3.396 3.592 ( 1.153 -1.044 5.045) 5.279 3.706 ( 7.945 7.416 11.192) 15.600 3.856 ( 1.313 1.323 -2.334) 2.986 3.942 ( 6.226 5.615 -11.796) 14.472 4.186 ( 4.248 2.778 -15.870) 16.662 4.279 ( -0.152 -0.791 -19.666) 19.682 4.420 ( -3.454 -1.430 1.840) 4.167 4.575 ( -0.531 -3.780 2.569) 4.601 4.851 ( -8.049 -0.817 -1.756) 8.278 5.015 ( 1.475 -1.145 -1.333) 2.295 5.199 ( -5.437 -3.526 12.509) 14.088 5.496 ( -10.553 -1.176 -9.646) 14.346 5.697 ( -1.438 -5.101 -0.775) 5.356 5.904 ( 6.074 4.848 4.764) 9.116 6.085 ( 0.389 -1.923 0.181) 1.970 6.199 ( 6.104 4.171 -2.708) 7.874 6.527 ( -6.463 -4.310 4.411) 8.933 6.973 ( 10.414 6.501 -1.417) 12.358 7.747 ( -2.978 4.610 2.319) 5.958 7.846 ( 1.674 -3.052 -1.294) 3.714 8.016 ( -0.619 -6.301 3.067) 7.035 8.168 ( 3.966 6.127 -5.556) 9.172 8.286 ( 4.955 -0.496 -1.123) 5.105 8.545 ( -0.847 -2.970 -0.211) 3.095 8.834 ( -5.423 -2.722 3.347) 6.930 8.972 ( -5.038 -4.829 1.341) 7.106 9.194 ( -0.579 3.529 -6.721) 7.613 9.440 ( -0.615 -1.568 1.471) 2.237 9.772 ( -2.308 -2.545 8.323) 9.005 9.964 ( -6.325 -1.826 3.095) 7.275 10.209 ( -7.706 -2.801 -0.218) 8.202 10.351 ( -3.400 1.518 -2.679) 4.588 10.632 ( -7.077 -1.508 -6.014) 9.409 10.774 ( -1.469 -7.226 -2.983) 7.954 10.983 ( 6.096 2.514 -1.951) 6.877 11.067 ( 8.030 3.087 -1.737) 8.777 11.451 ( 3.818 5.465 -0.330) 6.674 11.784 ( 2.289 1.476 -2.447) 3.662 11.922 ( 3.013 0.852 0.907) 3.260 12.345 ( -2.388 -4.623 7.888) 9.450 12.745 ( 3.890 1.641 -2.181) 4.752 13.264 ( 1.193 0.753 0.041) 1.412 13.421 ( -4.156 -1.642 2.984) 5.374 13.572 ( 1.155 1.724 2.048) 2.915 13.818 ( -6.075 -4.733 -2.107) 7.984 14.134 ( -4.643 -0.194 -0.556) 4.680 14.152 ( -6.817 -4.620 -3.616) 8.994 14.294 ( -1.527 -4.436 -1.767) 5.013 15.425 ( -6.856 -2.587 -0.223) 7.331 15.778 ( -8.605 -2.434 6.749) 11.204 15.887 ( -2.064 -1.412 2.808) 3.760 16.419 ( -10.557 -1.524 -0.331) 10.672 16.798 ( 7.003 -11.308 1.123) 13.348 17.137 ( -8.156 11.596 -5.038) 15.045 17.685 ( 22.289 2.312 -3.572) 22.692 17.779 ( 8.323 10.579 13.333) 18.946 18.063 ( 13.954 8.582 -4.571) 17.007 18.531 ( 21.894 11.767 -5.832) 25.531 18.865 ( 20.653 8.139 0.610) 22.207 20.545 ( -19.129 -4.719 4.059) 20.116 20.787 ( -11.771 -3.839 10.304) 16.108 20.983 ( -4.157 -2.519 -6.924) 8.460 21.204 ( -6.436 -3.327 7.771) 10.624 21.430 ( 0.500 -4.377 -6.146) 7.562 22.498 ( -19.535 -11.308 -2.707) 22.734 ======================= Grid point 278 (117/125) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 7.191 9.554 11.591) 16.653 1.871 ( 5.113 1.640 -7.722) 9.405 2.193 ( 13.311 3.849 2.650) 14.107 2.459 ( 5.605 8.114 -8.854) 13.253 2.806 ( -3.608 -1.817 4.908) 6.357 3.035 ( -1.631 -0.590 8.427) 8.604 3.062 ( 0.415 2.323 -1.125) 2.615 3.179 ( 4.814 1.260 -2.479) 5.559 3.355 ( 2.505 -3.926 1.339) 4.845 3.390 ( 0.769 -3.056 -1.373) 3.437 3.597 ( -2.280 -0.790 9.531) 9.832 3.871 ( -0.019 0.759 -3.265) 3.352 3.991 ( -4.612 -4.023 -5.081) 7.954 4.087 ( 1.719 1.869 -2.116) 3.305 4.146 ( 15.254 9.524 14.477) 23.086 4.308 ( 1.196 -0.937 -5.039) 5.263 4.386 ( 2.163 3.385 -13.233) 13.829 4.537 ( -1.101 2.105 0.986) 2.572 4.765 ( 2.641 1.365 -7.189) 7.779 5.031 ( -0.341 -5.820 0.411) 5.845 5.141 ( -2.486 0.003 8.602) 8.954 5.208 ( -14.229 -2.169 -4.003) 14.940 5.651 ( 0.954 -2.880 -0.785) 3.134 6.035 ( -0.563 3.813 -1.266) 4.057 6.067 ( 2.946 -1.593 0.509) 3.388 6.312 ( 2.966 1.208 -0.474) 3.237 6.387 ( -5.598 -3.866 4.030) 7.907 7.220 ( 8.586 5.470 2.908) 10.587 7.699 ( -3.754 0.345 0.901) 3.876 7.853 ( 4.407 -2.541 -3.317) 6.073 8.031 ( 1.588 4.455 6.421) 7.975 8.263 ( -0.494 4.502 1.771) 4.863 8.317 ( 5.317 -6.798 -3.796) 9.428 8.579 ( 4.270 0.168 -3.228) 5.356 8.754 ( -2.077 -1.615 -5.240) 5.863 8.806 ( -9.836 -0.725 3.507) 10.467 9.204 ( -3.381 3.528 -6.133) 7.842 9.305 ( -4.992 -7.091 2.735) 9.093 9.702 ( -0.332 -5.087 6.221) 8.043 9.949 ( -0.714 2.415 0.301) 2.536 10.049 ( -8.111 0.861 -0.776) 8.194 10.234 ( -5.652 -8.376 -2.981) 10.535 10.538 ( -4.617 7.907 -0.368) 9.164 10.684 ( 0.592 -6.978 -0.067) 7.003 11.074 ( 4.463 -2.131 0.904) 5.028 11.270 ( 11.228 3.138 -2.034) 11.834 11.602 ( 4.853 8.666 4.255) 10.806 11.819 ( 0.145 1.612 -5.027) 5.281 11.908 ( -2.285 -1.985 -1.808) 3.526 12.346 ( 2.269 -0.980 3.384) 4.190 12.762 ( -4.518 -3.329 0.075) 5.613 13.120 ( -6.956 -5.168 -1.625) 8.817 13.385 ( -0.189 2.215 1.725) 2.814 13.592 ( 1.541 -2.972 2.564) 4.217 13.799 ( -0.549 -0.962 2.873) 3.079 13.929 ( -6.777 -1.564 -3.662) 7.860 14.082 ( -5.196 0.183 -3.144) 6.076 14.243 ( 3.806 -3.776 -6.500) 8.426 15.240 ( -10.686 0.066 0.419) 10.694 15.660 ( -6.217 -0.126 7.734) 9.924 15.806 ( -8.044 -2.225 9.381) 12.556 16.375 ( 5.078 -1.224 -6.312) 8.193 16.845 ( 12.884 -13.479 1.359) 18.696 17.117 ( -7.597 14.053 -4.554) 16.611 17.859 ( 5.317 -5.286 2.438) 7.884 18.242 ( 13.775 22.466 5.266) 26.873 18.420 ( 16.492 8.462 -1.663) 18.611 18.882 ( 11.647 4.572 -6.015) 13.883 19.301 ( 20.875 5.655 1.222) 21.662 20.201 ( -14.553 -5.153 -2.412) 15.626 20.563 ( -14.126 -4.449 11.756) 18.909 20.791 ( -7.842 -5.156 -5.036) 10.651 21.140 ( -3.430 -4.394 10.066) 11.507 21.385 ( 1.683 0.772 -9.340) 9.522 22.053 ( -16.789 -9.548 -2.892) 19.530 ======================= Grid point 285 (118/125) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 5.536 0.675 25.914) 26.507 1.578 ( -3.593 12.247 21.813) 25.273 1.939 ( -5.961 -1.497 -21.001) 21.882 2.066 ( 5.330 5.982 -19.292) 20.889 2.881 ( -0.563 9.580 34.698) 36.000 2.968 ( 0.354 1.286 2.601) 2.923 3.011 ( -0.998 -1.315 1.436) 2.188 3.064 ( 0.118 5.780 10.532) 12.015 3.241 ( 1.223 0.270 1.961) 2.327 3.418 ( 1.373 -2.017 1.578) 2.906 3.475 ( -2.393 -5.659 -3.891) 7.273 3.603 ( -0.321 5.991 4.179) 7.312 3.777 ( 0.599 7.601 -10.925) 13.322 3.876 ( 0.658 -0.509 -2.369) 2.511 3.961 ( -0.494 8.116 -37.404) 38.277 4.373 ( -0.540 -7.572 -1.130) 7.675 4.516 ( 2.818 -3.256 3.855) 5.779 4.607 ( -3.357 2.112 3.111) 5.041 4.953 ( 1.097 -5.282 0.213) 5.399 5.050 ( -0.140 -0.610 -5.392) 5.428 5.382 ( -0.210 -6.699 13.466) 15.042 5.598 ( 0.252 -7.254 -9.872) 12.253 5.680 ( 1.881 2.636 6.728) 7.467 5.873 ( -5.204 5.168 -5.314) 9.057 5.991 ( 3.896 4.604 0.944) 6.104 6.105 ( -0.878 1.545 -1.697) 2.457 6.672 ( -0.333 -6.499 4.937) 8.169 6.769 ( 0.277 8.241 -3.202) 8.845 7.782 ( 4.835 0.867 0.109) 4.914 7.833 ( -2.570 1.238 -3.898) 4.830 7.983 ( -5.081 -0.664 2.287) 5.611 8.097 ( 1.959 3.688 -2.460) 4.847 8.197 ( -0.462 4.680 4.307) 6.377 8.689 ( -0.367 -10.653 -1.913) 10.829 8.989 ( -3.559 -11.509 3.148) 12.451 9.082 ( -3.660 -1.320 2.448) 4.596 9.209 ( 7.079 -2.251 -3.556) 8.236 9.364 ( 2.315 4.373 4.697) 6.822 9.683 ( -3.490 11.584 4.580) 12.936 10.175 ( 1.890 -10.937 3.618) 11.674 10.324 ( -1.088 -0.205 4.027) 4.176 10.498 ( 3.904 -9.455 -9.696) 14.094 10.643 ( -2.611 0.902 -5.650) 6.289 10.810 ( 0.451 -0.159 -2.786) 2.827 10.925 ( -1.861 2.107 -1.446) 3.162 10.956 ( 0.572 1.704 -4.569) 4.910 11.332 ( 0.949 5.786 -2.184) 6.257 11.761 ( -1.080 -0.962 1.122) 1.831 11.814 ( 0.440 4.090 1.857) 4.513 12.444 ( -1.245 -1.814 10.723) 10.947 12.670 ( -0.082 2.766 -4.732) 5.481 13.156 ( 0.815 6.657 -0.152) 6.708 13.438 ( -2.004 -1.795 4.299) 5.072 13.541 ( 2.175 4.866 -0.083) 5.330 14.069 ( -0.306 -14.650 0.543) 14.664 14.191 ( -1.388 -4.275 -0.690) 4.547 14.329 ( 0.264 -6.029 -2.278) 6.451 14.353 ( 0.370 -2.670 0.155) 2.700 15.404 ( -0.460 9.181 -0.708) 9.219 15.998 ( -0.797 -11.273 1.145) 11.359 16.011 ( 1.897 -12.142 -0.201) 12.291 16.672 ( -2.595 -8.379 1.876) 8.970 16.817 ( 2.638 4.100 -2.561) 5.507 17.191 ( 4.155 -13.091 7.182) 15.499 17.333 ( 2.109 2.252 -2.530) 3.990 17.640 ( -8.797 12.463 -4.217) 15.827 17.822 ( 5.254 9.783 -2.047) 11.291 17.948 ( -4.257 24.414 1.738) 24.843 18.367 ( 0.809 29.530 -1.879) 29.601 20.910 ( 2.261 -15.832 0.742) 16.010 20.956 ( 0.421 -4.116 4.165) 5.871 21.052 ( 2.098 -6.237 4.357) 7.892 21.391 ( -0.201 -4.440 1.062) 4.570 21.438 ( -2.820 -1.635 -4.561) 5.606 22.918 ( -0.028 -17.510 -0.225) 17.511 ======================= Grid point 286 (119/125) ======================= q-point: ( 0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 6.235 4.986 13.810) 15.951 1.739 ( -1.729 11.889 19.714) 23.086 1.794 ( 3.176 1.504 -19.702) 20.013 2.180 ( 7.877 8.418 -16.054) 19.765 2.945 ( -2.387 -2.262 1.567) 3.643 2.987 ( 1.114 1.185 0.299) 1.654 3.047 ( 2.407 2.274 4.704) 5.753 3.143 ( -1.173 -1.745 0.567) 2.178 3.329 ( -0.776 5.306 17.097) 17.919 3.375 ( -3.402 -3.727 2.463) 5.616 3.588 ( 8.714 9.968 19.917) 23.916 3.718 ( 3.626 6.760 7.529) 10.748 3.801 ( 2.702 0.739 -8.101) 8.572 3.881 ( 2.237 4.544 -13.132) 14.075 3.993 ( 7.126 12.099 -27.938) 31.269 4.258 ( -2.915 -7.204 -2.532) 8.173 4.502 ( -4.619 -2.756 -2.521) 5.940 4.539 ( -1.051 -5.226 7.155) 8.922 4.927 ( 2.512 -5.400 0.063) 5.956 4.994 ( -5.150 1.962 -4.164) 6.907 5.297 ( -5.689 -6.259 11.010) 13.884 5.507 ( 1.210 -5.705 -10.764) 12.242 5.713 ( -5.721 -1.884 -0.891) 6.089 5.867 ( 4.952 3.095 6.345) 8.624 6.088 ( -1.530 0.943 -0.898) 2.009 6.147 ( 5.223 6.937 -1.653) 8.840 6.579 ( -3.800 -6.973 3.493) 8.675 6.913 ( 5.833 11.425 -2.238) 13.022 7.778 ( -0.346 -2.135 -4.299) 4.813 7.871 ( 0.040 3.737 -0.370) 3.756 7.951 ( -0.280 0.424 6.480) 6.499 8.145 ( 1.921 1.242 -3.426) 4.120 8.244 ( 0.421 0.506 2.616) 2.698 8.549 ( -2.123 -4.716 1.970) 5.534 8.892 ( -0.986 -7.218 6.027) 9.455 8.990 ( -5.996 -1.221 1.012) 6.202 9.152 ( -0.050 -5.470 -7.333) 9.149 9.503 ( 1.284 3.610 -0.106) 3.833 9.763 ( 0.743 2.216 7.811) 8.153 10.044 ( -4.195 -9.837 -0.205) 10.696 10.266 ( -4.063 -1.248 -2.779) 5.078 10.392 ( -1.437 -6.206 -4.361) 7.720 10.641 ( 0.474 -3.014 -2.994) 4.274 10.780 ( -3.759 1.764 0.225) 4.159 10.905 ( 1.621 -0.804 -1.456) 2.322 11.011 ( 3.204 5.620 0.205) 6.472 11.440 ( 4.153 7.135 -3.561) 8.990 11.763 ( 0.793 0.429 0.857) 1.244 11.875 ( 2.039 0.793 2.593) 3.393 12.392 ( -4.043 -4.269 6.509) 8.772 12.713 ( 2.113 4.167 -1.498) 4.907 13.254 ( 2.198 2.637 0.406) 3.457 13.459 ( 2.925 2.930 3.202) 5.234 13.602 ( -0.202 3.743 -3.109) 4.870 13.827 ( -8.571 -15.202 0.898) 17.475 14.118 ( -0.143 -4.538 0.858) 4.620 14.208 ( -4.196 -7.893 -1.834) 9.125 14.307 ( -3.469 -3.005 0.228) 4.595 15.451 ( -1.769 -3.107 -0.753) 3.653 15.870 ( -4.412 -7.159 2.567) 8.792 15.909 ( 0.005 1.068 -1.224) 1.625 16.495 ( -2.131 -16.518 1.622) 16.734 16.748 ( -11.442 0.998 -1.904) 11.643 17.276 ( 11.607 -0.664 -2.619) 11.917 17.453 ( 1.164 15.340 -0.992) 15.416 17.822 ( 6.511 16.654 2.949) 18.123 17.905 ( 9.313 10.409 1.258) 14.024 18.418 ( 16.611 23.534 -0.137) 28.806 18.681 ( 6.334 15.796 0.019) 17.019 20.710 ( -6.898 -12.843 -1.982) 14.712 20.917 ( -4.545 -6.965 3.734) 9.117 20.967 ( -2.366 -5.368 -4.754) 7.551 21.279 ( -4.086 -6.433 4.792) 9.002 21.374 ( -1.975 -3.234 -0.394) 3.810 22.611 ( -11.377 -19.799 -1.098) 22.862 ======================= Grid point 287 (120/125) ======================= q-point: ( 0.67 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 3.242 1.937 -13.185) 13.715 1.933 ( 0.797 12.811 10.869) 16.820 2.016 ( 13.449 6.098 5.801) 15.866 2.362 ( 9.341 7.448 -11.171) 16.356 2.910 ( -3.518 2.902 5.686) 7.289 3.036 ( 3.850 0.581 -4.661) 6.073 3.073 ( -0.719 -1.030 4.066) 4.256 3.131 ( 0.522 -0.451 2.886) 2.967 3.307 ( -1.288 -3.689 4.716) 6.124 3.385 ( -0.673 1.407 1.910) 2.466 3.692 ( -3.109 1.069 4.544) 5.608 3.838 ( 1.171 1.478 -4.087) 4.501 3.932 ( 3.434 0.120 -5.343) 6.352 4.071 ( 7.491 7.578 5.084) 11.806 4.114 ( 2.117 2.420 4.518) 5.545 4.215 ( 10.446 11.625 -15.470) 21.991 4.329 ( -6.172 -6.675 0.047) 9.091 4.540 ( 2.190 -1.508 4.594) 5.308 4.874 ( -8.828 3.681 -2.817) 9.971 4.940 ( 3.907 -4.418 -0.205) 5.901 5.194 ( -3.319 -6.245 6.936) 9.905 5.380 ( -7.057 -1.990 -10.697) 12.969 5.603 ( -1.973 -2.789 2.688) 4.347 5.978 ( 2.918 -4.215 0.323) 5.136 6.099 ( 0.688 6.125 2.323) 6.586 6.277 ( 3.374 4.180 -0.772) 5.426 6.445 ( -4.996 -6.206 2.310) 8.295 7.162 ( 8.837 12.189 0.040) 15.055 7.749 ( 1.413 -3.765 -2.844) 4.925 7.811 ( -6.368 0.526 -0.372) 6.401 8.023 ( 3.769 0.152 7.742) 8.612 8.161 ( 4.177 -4.400 -3.996) 7.265 8.287 ( 0.950 5.003 1.205) 5.233 8.549 ( 0.197 0.563 4.313) 4.354 8.766 ( -7.402 -6.231 -5.074) 10.925 8.926 ( 1.024 -3.627 8.690) 9.472 9.130 ( 3.532 -1.196 -2.922) 4.738 9.418 ( -9.628 -1.449 -3.002) 10.189 9.725 ( -4.478 -7.822 0.747) 9.044 9.970 ( 0.507 -0.821 3.934) 4.050 10.159 ( -3.501 -0.557 -4.984) 6.116 10.264 ( -6.950 -2.782 -4.040) 8.507 10.559 ( 0.523 -6.642 -2.697) 7.187 10.759 ( -5.700 8.907 2.568) 10.882 10.981 ( 5.732 -0.987 3.228) 6.652 11.144 ( 5.703 4.648 -0.855) 7.406 11.579 ( 6.348 5.716 -1.783) 8.726 11.783 ( 0.844 -0.864 -1.097) 1.632 11.891 ( 0.462 -4.620 4.074) 6.177 12.347 ( -0.586 1.661 1.980) 2.650 12.782 ( 1.152 1.933 0.839) 2.401 13.232 ( -7.461 -3.281 0.514) 8.166 13.445 ( -7.370 -6.305 0.741) 9.727 13.549 ( 0.509 -0.505 3.531) 3.603 13.745 ( 6.455 0.452 -0.545) 6.493 14.008 ( -7.017 -5.678 -3.135) 9.555 14.124 ( 1.870 -5.764 -1.758) 6.310 14.183 ( -6.225 1.041 -0.362) 6.322 15.294 ( -3.910 -10.526 -4.505) 12.099 15.744 ( -6.528 -0.030 3.123) 7.237 15.980 ( 2.569 0.659 0.981) 2.828 16.341 ( -5.073 -7.382 10.410) 13.733 16.609 ( 0.635 0.924 -8.854) 8.925 17.369 ( -5.307 13.579 -9.033) 17.151 17.689 ( 11.559 5.574 3.382) 13.271 18.160 ( 16.052 6.064 4.596) 17.764 18.312 ( 14.265 20.591 2.604) 25.185 18.806 ( 0.757 12.966 -1.233) 13.047 18.978 ( 20.779 6.202 1.291) 21.724 20.421 ( -13.305 -2.786 -8.617) 16.094 20.711 ( -6.654 -10.804 3.592) 13.187 20.853 ( -6.209 -3.324 -4.677) 8.454 21.166 ( -3.074 -9.112 5.066) 10.869 21.322 ( 0.077 -2.051 1.384) 2.475 22.188 ( -14.127 -16.593 -1.214) 21.826 ======================= Grid point 294 (121/125) ======================= q-point: ( 0.44 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -1.750 1.044 24.756) 24.840 1.806 ( -1.368 11.504 2.427) 11.836 1.978 ( -3.952 3.562 -17.798) 18.576 2.060 ( -6.786 8.371 -4.710) 11.761 2.931 ( 3.211 0.667 2.957) 4.416 2.984 ( -2.692 -2.111 1.059) 3.581 3.087 ( -2.606 1.522 -1.554) 3.395 3.150 ( 4.364 -0.296 -1.112) 4.513 3.336 ( -2.335 8.070 20.417) 22.078 3.403 ( 1.381 -0.399 -0.057) 1.439 3.540 ( -9.842 5.113 12.710) 16.868 3.708 ( -1.063 4.273 7.277) 8.505 3.829 ( -4.974 2.755 -5.464) 7.885 3.856 ( 1.052 3.688 -1.348) 4.065 3.999 ( -7.504 12.301 -32.021) 35.114 4.270 ( 2.841 -6.273 -4.388) 8.166 4.451 ( 1.926 -4.598 4.469) 6.695 4.617 ( 2.742 -1.895 -4.368) 5.494 4.894 ( 2.724 -1.754 3.210) 4.561 4.990 ( 0.100 -3.612 -2.284) 4.275 5.323 ( 5.443 -4.415 11.315) 13.309 5.463 ( 2.759 -6.862 -8.289) 11.109 5.701 ( -1.784 -4.300 1.581) 4.916 5.924 ( 3.351 6.438 -2.117) 7.561 6.062 ( -5.837 0.796 1.473) 6.072 6.156 ( -2.110 6.084 -2.067) 6.763 6.588 ( 3.813 -6.409 2.211) 7.779 6.906 ( -5.871 10.835 -1.158) 12.378 7.726 ( 2.107 -0.734 3.848) 4.448 7.877 ( -1.424 0.329 -0.690) 1.616 8.034 ( -2.862 1.108 -6.589) 7.269 8.121 ( 1.637 1.539 0.039) 2.247 8.257 ( -2.387 1.842 0.597) 3.074 8.583 ( 1.729 -1.715 -4.023) 4.703 8.932 ( 3.084 -10.065 2.138) 10.742 9.003 ( 4.645 -2.439 -2.728) 5.914 9.093 ( 0.778 -0.567 1.842) 2.079 9.481 ( -3.870 1.797 3.280) 5.382 9.813 ( 0.410 2.167 0.662) 2.303 10.015 ( 5.398 -8.075 4.987) 10.918 10.259 ( 3.358 -7.180 -4.544) 9.137 10.333 ( 3.979 -2.648 5.814) 7.526 10.653 ( 2.697 -5.062 -4.148) 7.078 10.801 ( -7.012 -0.945 -2.944) 7.664 10.915 ( 3.576 2.936 -2.840) 5.429 11.029 ( -4.136 6.274 -2.840) 8.033 11.411 ( -2.672 6.311 0.803) 6.900 11.772 ( -0.707 -0.203 -0.328) 0.805 11.889 ( -2.090 3.629 0.353) 4.203 12.415 ( 2.532 -5.081 2.838) 6.347 12.719 ( -2.403 4.571 -2.451) 5.717 13.253 ( -2.323 4.828 0.459) 5.378 13.489 ( -0.980 2.794 -1.044) 3.139 13.550 ( -0.057 1.985 4.673) 5.077 13.841 ( 6.942 -15.136 -1.326) 16.705 14.144 ( 2.367 -1.586 -3.198) 4.283 14.198 ( 5.167 -8.389 -0.504) 9.865 14.307 ( -0.065 -4.972 0.163) 4.975 15.448 ( 3.437 -5.094 -0.282) 6.151 15.862 ( 0.404 -1.167 4.758) 4.916 15.894 ( 4.353 -4.831 0.077) 6.503 16.542 ( 15.450 -5.715 -3.916) 16.932 16.697 ( -8.973 -12.391 4.395) 15.918 17.214 ( 1.107 5.402 5.539) 7.816 17.450 ( -9.939 9.190 1.536) 13.623 17.874 ( -4.210 20.722 -4.972) 21.722 17.928 ( -7.491 10.761 -3.071) 13.466 18.426 ( -15.441 24.318 -1.241) 28.833 18.696 ( -9.990 15.646 -2.406) 18.718 20.634 ( 8.431 -17.124 10.248) 21.664 20.872 ( 5.831 -8.481 8.187) 13.151 20.975 ( 1.321 -3.900 -4.110) 5.818 21.281 ( 6.549 -5.419 2.977) 9.006 21.434 ( -0.807 -2.329 -7.651) 8.038 22.612 ( 11.380 -19.819 -1.198) 22.886 ======================= Grid point 295 (122/125) ======================= q-point: ( 0.56 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 6.470 4.474 18.027) 19.668 1.766 ( -7.447 4.707 -21.194) 22.952 1.962 ( 2.101 12.210 1.169) 12.445 2.151 ( -0.706 12.436 1.829) 12.589 2.899 ( -1.016 -3.416 -1.852) 4.016 3.036 ( 3.417 2.088 4.770) 6.228 3.061 ( -2.026 2.834 -1.455) 3.776 3.145 ( -1.892 -2.266 -3.346) 4.462 3.361 ( 0.528 -2.399 -0.165) 2.462 3.417 ( 0.448 0.021 -0.013) 0.448 3.713 ( 1.578 4.133 5.769) 7.270 3.737 ( 2.441 7.035 11.575) 13.763 3.814 ( -1.730 12.798 12.287) 17.826 3.889 ( -1.437 5.661 -5.732) 8.183 3.978 ( -0.231 16.499 -19.667) 25.672 4.204 ( -0.581 -8.376 0.210) 8.399 4.437 ( 2.269 -5.769 0.523) 6.221 4.593 ( -2.681 -3.076 -1.128) 4.233 4.837 ( -1.391 -7.201 0.426) 7.347 5.021 ( 2.932 1.768 -1.656) 3.803 5.350 ( -1.292 -8.201 -9.876) 12.902 5.362 ( -0.490 -7.326 10.038) 12.437 5.690 ( 3.724 -3.046 0.448) 4.832 5.946 ( -6.121 5.277 -1.602) 8.239 6.068 ( 4.229 -0.318 2.180) 4.768 6.188 ( -0.738 7.999 -1.013) 8.097 6.550 ( -0.317 -7.724 0.908) 7.784 6.977 ( 0.333 13.695 -1.977) 13.841 7.774 ( -1.895 -1.636 -1.402) 2.869 7.824 ( 2.465 -0.771 1.166) 2.833 8.058 ( 1.844 2.505 -2.017) 3.708 8.126 ( -3.143 4.525 0.046) 5.509 8.264 ( 1.167 0.663 2.256) 2.625 8.544 ( -1.270 -1.559 -0.428) 2.057 8.824 ( -0.491 -7.525 3.838) 8.462 9.048 ( 1.039 -6.709 -8.786) 11.103 9.119 ( -2.575 0.099 4.865) 5.505 9.433 ( 2.759 -1.072 2.684) 3.996 9.855 ( 0.357 1.735 -2.801) 3.314 9.956 ( -2.701 -10.092 3.504) 11.019 10.228 ( 2.137 -9.734 -5.256) 11.267 10.328 ( -0.357 -2.613 2.662) 3.747 10.588 ( -1.648 -4.646 0.453) 4.951 10.760 ( 3.848 -3.126 -1.182) 5.097 10.976 ( -1.344 6.097 -0.597) 6.272 11.055 ( 0.025 7.870 0.356) 7.878 11.458 ( -0.328 7.990 -1.965) 8.235 11.758 ( -0.448 0.417 2.073) 2.161 11.917 ( -0.974 2.760 1.738) 3.404 12.393 ( 0.944 -4.965 0.416) 5.071 12.738 ( -0.095 4.821 -1.251) 4.981 13.259 ( -0.677 0.269 0.818) 1.096 13.443 ( -1.453 -2.432 0.023) 2.833 13.608 ( 1.756 2.861 -3.670) 4.973 13.790 ( 0.245 -8.692 2.443) 9.033 14.111 ( -2.013 -3.088 1.321) 3.915 14.141 ( -0.803 -10.505 -0.584) 10.552 14.275 ( 2.970 -5.377 1.478) 6.317 15.429 ( -0.654 -7.230 -0.720) 7.296 15.798 ( 1.300 -8.506 2.062) 8.849 15.937 ( -1.279 3.983 -4.109) 5.864 16.409 ( -5.925 -13.308 1.125) 14.610 16.816 ( 15.539 -0.037 -1.858) 15.649 17.089 ( -9.202 -1.930 3.208) 9.934 17.623 ( 5.341 17.885 5.789) 19.543 17.936 ( -4.481 17.198 -11.550) 21.196 18.027 ( -3.178 15.577 0.977) 15.928 18.466 ( 0.590 23.286 4.320) 23.691 18.879 ( 1.305 23.035 -1.541) 23.123 20.544 ( 1.614 -20.507 3.919) 20.941 20.892 ( 1.790 -8.755 -2.534) 9.289 20.901 ( -1.415 -7.310 2.286) 7.789 21.311 ( -4.666 -3.725 -7.512) 9.596 21.343 ( 3.439 -4.395 6.185) 8.331 22.483 ( 0.002 -23.367 -0.354) 23.370 ======================= Grid point 296 (123/125) ======================= q-point: (-0.33 -0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -3.059 6.765 -19.416) 20.787 1.885 ( 9.930 5.506 10.082) 15.185 2.138 ( 0.920 13.560 5.059) 14.502 2.272 ( 2.449 9.332 -1.493) 9.763 2.895 ( 4.524 -2.157 -0.087) 5.013 3.037 ( -1.941 1.863 -4.096) 4.900 3.058 ( -0.859 -3.687 -1.995) 4.279 3.145 ( 1.417 3.996 3.154) 5.284 3.357 ( -1.586 -0.938 7.981) 8.191 3.431 ( -0.177 3.008 -0.244) 3.023 3.670 ( 1.491 -2.080 -8.563) 8.938 3.847 ( -0.047 -0.238 -4.423) 4.430 3.944 ( -0.840 7.848 8.245) 11.414 4.076 ( -1.026 0.409 -2.779) 2.991 4.082 ( 4.662 13.780 -16.863) 22.271 4.172 ( 4.903 5.249 22.438) 23.560 4.408 ( -4.775 -1.261 -4.377) 6.600 4.489 ( 1.221 -3.905 8.249) 9.208 4.818 ( 5.192 -3.130 1.414) 6.225 5.030 ( -5.424 3.974 -4.795) 8.259 5.178 ( -2.005 -10.052 1.592) 10.373 5.314 ( 1.282 -7.998 -4.967) 9.502 5.673 ( -3.081 -1.601 0.036) 3.473 5.933 ( -0.915 1.751 1.698) 2.605 6.123 ( 2.489 0.838 2.529) 3.646 6.281 ( 1.894 6.321 -0.839) 6.652 6.448 ( -2.522 -7.223 -0.074) 7.651 7.160 ( 5.727 13.672 -2.699) 15.066 7.705 ( -0.936 -2.293 -2.656) 3.632 7.862 ( -0.497 -0.419 2.388) 2.475 8.025 ( -0.360 -4.943 -2.500) 5.551 8.132 ( -4.188 6.242 2.675) 7.979 8.351 ( 1.276 6.195 4.210) 7.598 8.559 ( 0.821 0.214 2.894) 3.015 8.776 ( -1.153 -6.991 -1.421) 7.227 8.869 ( -0.585 -7.006 3.113) 7.688 9.109 ( -3.111 -0.789 3.692) 4.892 9.445 ( 0.556 -7.875 -4.277) 8.979 9.781 ( -7.289 -1.118 -6.498) 9.829 9.900 ( 4.542 -3.921 6.018) 8.498 10.123 ( 0.079 -6.871 -4.709) 8.330 10.323 ( -0.200 0.524 -1.115) 1.248 10.475 ( -2.836 -8.908 -2.082) 9.577 10.831 ( 7.038 -2.018 1.107) 7.405 11.006 ( -4.687 9.753 3.670) 11.426 11.178 ( 1.559 10.575 2.589) 10.998 11.522 ( 2.071 3.661 -4.198) 5.943 11.765 ( -0.557 -0.970 1.439) 1.823 11.895 ( -2.475 -2.385 5.209) 6.241 12.379 ( 0.343 1.169 -0.638) 1.375 12.785 ( 1.197 2.111 0.593) 2.498 13.238 ( 2.078 -5.901 2.798) 6.853 13.402 ( -1.494 -9.477 -3.213) 10.118 13.642 ( 0.203 -2.923 -0.041) 2.930 13.693 ( -3.995 8.336 0.905) 9.288 14.015 ( -1.367 -8.640 -2.098) 8.995 14.062 ( -1.683 -4.306 3.215) 5.631 14.265 ( -1.430 -0.613 2.879) 3.272 15.241 ( -6.810 -12.438 -3.826) 14.687 15.762 ( 2.333 -8.423 -5.994) 10.598 15.881 ( -0.627 -3.253 -3.375) 4.729 16.359 ( 4.047 2.476 10.590) 11.605 16.776 ( -14.345 4.316 -3.816) 15.458 17.244 ( 20.182 1.690 -5.283) 20.931 17.830 ( -10.502 18.883 -7.710) 22.941 18.008 ( 11.853 3.059 13.106) 17.934 18.290 ( 9.728 21.944 -2.830) 24.170 18.793 ( 6.935 9.256 4.539) 12.425 19.073 ( -3.414 24.421 0.900) 24.675 20.401 ( 3.092 -12.214 -6.758) 14.297 20.668 ( -5.456 -14.050 -7.428) 16.803 20.861 ( -0.889 -6.269 1.803) 6.584 21.168 ( -4.978 -2.842 -5.118) 7.684 21.346 ( -1.897 -4.569 10.105) 11.251 22.187 ( -7.381 -20.614 0.797) 21.910 ======================= Grid point 367 (124/125) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -0.000 0.000 22.437) 22.437 1.517 ( -0.000 0.000 22.437) 22.437 1.898 ( 0.000 -0.000 -19.572) 19.572 1.898 ( 0.000 -0.000 -19.572) 19.572 2.943 ( -0.000 0.000 46.201) 46.201 2.962 ( -0.000 0.000 3.010) 3.010 3.035 ( -0.000 0.000 0.729) 0.729 3.035 ( -0.000 0.000 0.729) 0.729 3.253 ( -0.000 0.000 2.249) 2.249 3.499 ( -0.000 0.000 3.626) 3.626 3.499 ( -0.000 0.000 3.626) 3.626 3.581 ( 0.000 -0.000 -6.646) 6.646 3.581 ( 0.000 -0.000 -6.646) 6.646 3.656 ( 0.000 -0.000 -46.851) 46.851 3.918 ( -0.000 0.000 0.296) 0.296 4.474 ( 0.000 -0.000 -0.593) 0.593 4.574 ( -0.000 0.000 3.769) 3.769 4.574 ( -0.000 0.000 3.769) 3.769 5.024 ( 0.000 -0.000 -1.857) 1.857 5.024 ( 0.000 -0.000 -1.857) 1.857 5.586 ( -0.000 0.000 9.827) 9.827 5.586 ( -0.000 0.000 9.827) 9.827 5.713 ( 0.000 -0.000 -8.534) 8.534 5.713 ( 0.000 -0.000 -8.534) 8.534 5.945 ( -0.000 0.000 0.084) 0.084 6.093 ( 0.000 -0.000 -0.459) 0.459 6.672 ( 0.000 -0.000 -1.859) 1.859 6.763 ( -0.000 0.000 2.518) 2.518 7.787 ( 0.000 0.000 -1.174) 1.174 7.787 ( 0.000 -0.000 -1.174) 1.174 8.033 ( -0.000 0.000 0.259) 0.259 8.033 ( -0.000 0.000 0.259) 0.259 8.148 ( -0.000 0.000 3.830) 3.830 8.827 ( 0.000 -0.000 -1.149) 1.149 9.118 ( 0.000 0.000 -0.515) 0.515 9.118 ( 0.000 -0.000 -0.515) 0.515 9.305 ( -0.000 0.000 3.000) 3.000 9.305 ( -0.000 0.000 3.000) 3.000 9.480 ( -0.000 0.000 3.158) 3.158 10.334 ( -0.000 0.000 3.485) 3.485 10.334 ( -0.000 0.000 3.485) 3.485 10.611 ( 0.000 -0.000 -5.651) 5.651 10.611 ( 0.000 -0.000 -5.651) 5.651 10.666 ( 0.000 -0.000 -6.361) 6.361 10.946 ( 0.000 -0.000 -0.318) 0.318 10.946 ( 0.000 -0.000 -0.318) 0.318 11.265 ( 0.000 -0.000 -0.945) 0.945 11.770 ( -0.000 0.000 0.495) 0.495 11.770 ( -0.000 0.000 0.495) 0.495 12.504 ( -0.000 0.000 12.229) 12.229 12.625 ( 0.000 -0.000 -7.124) 7.124 13.082 ( 0.000 -0.000 -0.161) 0.161 13.482 ( -0.000 0.000 1.589) 1.589 13.482 ( -0.000 0.000 1.589) 1.589 14.241 ( -0.000 0.000 0.079) 0.079 14.241 ( -0.000 0.000 0.079) 0.079 14.374 ( 0.000 -0.000 -0.240) 0.240 14.381 ( 0.000 -0.000 -1.491) 1.491 15.277 ( 0.000 -0.000 -0.177) 0.177 16.175 ( -0.000 0.000 0.495) 0.495 16.175 ( -0.000 0.000 0.495) 0.495 16.692 ( 0.000 -0.000 -1.815) 1.815 16.692 ( 0.000 -0.000 -1.815) 1.815 17.477 ( -0.000 0.000 0.025) 0.025 17.498 ( -0.000 0.000 0.152) 0.152 17.498 ( -0.000 0.000 0.152) 0.152 17.708 ( 0.000 -0.000 -0.351) 0.351 17.708 ( 0.000 -0.000 -0.351) 0.351 17.789 ( -0.000 0.000 0.475) 0.475 21.018 ( -0.000 0.000 1.123) 1.123 21.018 ( -0.000 0.000 1.123) 1.123 21.177 ( 0.000 -0.000 -0.131) 0.131 21.444 ( 0.000 -0.000 -0.639) 0.639 21.444 ( 0.000 -0.000 -0.639) 0.639 23.112 ( -0.000 0.000 0.145) 0.145 ======================= Grid point 368 (125/125) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -0.775 5.734 21.521) 22.285 1.641 ( 4.055 -1.440 -5.232) 6.774 1.812 ( 3.745 -3.725 -2.010) 5.651 1.941 ( 6.656 7.635 -12.738) 16.274 2.961 ( -2.191 -0.394 2.532) 3.371 3.012 ( 0.357 -0.716 -2.170) 2.313 3.030 ( 0.899 0.062 -0.457) 1.011 3.167 ( 0.966 0.291 3.635) 3.772 3.332 ( 2.593 3.036 32.842) 33.084 3.431 ( -3.283 -2.042 0.595) 3.912 3.517 ( 6.143 3.271 -3.480) 7.781 3.605 ( 10.519 5.249 -29.518) 31.773 3.654 ( 5.593 2.639 4.969) 7.933 3.687 ( 6.561 4.506 -8.824) 11.884 3.886 ( -2.173 -1.040 -0.033) 2.409 4.376 ( -6.306 -3.784 -1.065) 7.431 4.542 ( -3.894 -1.392 1.623) 4.443 4.614 ( 1.032 -0.431 1.327) 1.735 4.972 ( -4.978 -0.913 -1.733) 5.350 5.004 ( 0.162 -1.568 0.277) 1.600 5.459 ( -6.866 -4.702 12.244) 14.804 5.541 ( -5.611 -1.777 -11.900) 13.276 5.752 ( 0.443 -2.350 -4.579) 5.166 5.794 ( 5.975 5.297 7.216) 10.762 6.012 ( 5.999 3.450 -2.286) 7.288 6.092 ( 0.111 0.048 0.342) 0.363 6.698 ( -5.529 -3.156 0.831) 6.421 6.750 ( 6.972 3.976 -0.384) 8.035 7.772 ( -1.272 1.740 2.785) 3.521 7.816 ( 2.828 -0.814 -2.442) 3.824 8.012 ( 0.306 -0.511 -1.745) 1.844 8.074 ( 2.309 1.570 0.649) 2.867 8.220 ( 3.489 2.096 1.073) 4.209 8.680 ( -9.160 -5.209 -0.479) 10.548 9.007 ( -8.074 -4.987 -0.127) 9.490 9.097 ( 0.162 -3.490 1.563) 3.827 9.180 ( -5.844 0.784 -0.296) 5.904 9.399 ( 4.164 2.445 -0.411) 4.846 9.703 ( 10.190 5.094 1.897) 11.549 10.208 ( -10.637 -5.049 -0.555) 11.788 10.330 ( 0.215 -2.524 2.703) 3.705 10.427 ( -9.274 -1.547 0.415) 9.412 10.642 ( 2.746 -0.552 -5.343) 6.033 10.797 ( 3.536 1.823 -1.474) 4.243 10.912 ( -1.612 -0.187 1.496) 2.207 10.930 ( 1.566 0.583 -0.829) 1.865 11.321 ( 4.511 2.921 -0.464) 5.394 11.765 ( -0.133 -0.772 0.342) 0.855 11.829 ( 4.012 2.892 -0.453) 4.966 12.506 ( -4.119 -2.929 3.863) 6.361 12.635 ( 3.908 2.302 -2.012) 4.962 13.156 ( 5.617 3.578 -0.034) 6.660 13.473 ( -0.705 -1.117 -0.490) 1.408 13.526 ( 2.613 2.307 1.756) 3.903 14.076 ( -12.010 -7.547 -0.564) 14.196 14.187 ( -3.922 -1.685 -0.070) 4.270 14.317 ( -5.320 -2.823 -0.418) 6.037 14.355 ( -1.690 -1.556 -0.164) 2.303 15.399 ( 7.510 4.241 0.135) 8.626 15.996 ( -10.388 -5.080 1.584) 11.672 16.017 ( -9.589 -6.250 -1.255) 11.514 16.693 ( -8.813 -2.688 -1.940) 9.415 16.784 ( 4.980 0.319 2.479) 5.572 17.265 ( -13.707 -8.151 -1.629) 16.030 17.307 ( 6.311 4.279 -0.965) 7.686 17.590 ( 8.125 7.623 3.804) 11.773 17.809 ( 10.154 -0.088 0.005) 10.155 17.973 ( 21.022 15.214 -2.241) 26.046 18.356 ( 25.202 14.178 -0.015) 28.917 20.900 ( -10.985 -5.757 1.268) 12.467 21.003 ( -1.639 -1.586 -2.730) 3.558 21.068 ( -8.484 -3.793 2.518) 9.629 21.383 ( -4.837 -1.581 3.415) 6.129 21.424 ( -0.696 -2.260 -3.497) 4.221 22.917 ( -15.473 -8.941 -0.048) 17.871 =================== 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 3/54675 10.0 1079.422 1079.422 2121.652 0.000 -0.000 -0.000 3/54675 20.0 152.768 152.768 267.560 0.000 -0.000 -0.000 3/54675 30.0 56.696 56.696 101.563 0.000 -0.000 -0.000 3/54675 40.0 31.015 31.015 56.629 0.000 -0.000 -0.000 3/54675 50.0 20.487 20.487 37.727 0.000 -0.000 -0.000 3/54675 60.0 14.991 14.991 27.711 0.000 -0.000 -0.000 3/54675 70.0 11.680 11.680 21.617 0.000 -0.000 -0.000 3/54675 80.0 9.498 9.498 17.568 0.000 -0.000 -0.000 3/54675 90.0 7.968 7.968 14.711 0.000 -0.000 -0.000 3/54675 100.0 6.847 6.847 12.605 0.000 -0.000 -0.000 3/54675 110.0 5.997 5.997 10.999 0.000 -0.000 -0.000 3/54675 120.0 5.333 5.333 9.741 0.000 -0.000 -0.000 3/54675 130.0 4.803 4.803 8.734 0.000 -0.000 -0.000 3/54675 140.0 4.371 4.371 7.911 0.000 -0.000 -0.000 3/54675 150.0 4.014 4.014 7.229 0.000 -0.000 -0.000 3/54675 160.0 3.713 3.713 6.654 0.000 -0.000 -0.000 3/54675 170.0 3.456 3.456 6.165 0.000 -0.000 -0.000 3/54675 180.0 3.236 3.236 5.744 0.000 -0.000 -0.000 3/54675 190.0 3.043 3.043 5.378 0.000 -0.000 -0.000 3/54675 200.0 2.875 2.875 5.056 0.000 -0.000 -0.000 3/54675 210.0 2.725 2.725 4.772 0.000 -0.000 -0.000 3/54675 220.0 2.591 2.591 4.519 0.000 -0.000 -0.000 3/54675 230.0 2.471 2.471 4.293 0.000 -0.000 -0.000 3/54675 240.0 2.363 2.363 4.089 0.000 -0.000 -0.000 3/54675 250.0 2.264 2.264 3.904 0.000 -0.000 -0.000 3/54675 260.0 2.174 2.174 3.736 0.000 -0.000 -0.000 3/54675 270.0 2.091 2.091 3.582 0.000 -0.000 -0.000 3/54675 280.0 2.015 2.015 3.440 0.000 -0.000 -0.000 3/54675 290.0 1.944 1.944 3.310 0.000 -0.000 -0.000 3/54675 300.0 1.879 1.879 3.190 0.000 -0.000 -0.000 3/54675 310.0 1.818 1.818 3.078 0.000 -0.000 -0.000 3/54675 320.0 1.761 1.761 2.975 0.000 -0.000 -0.000 3/54675 330.0 1.707 1.707 2.878 0.000 -0.000 -0.000 3/54675 340.0 1.657 1.657 2.787 0.000 -0.000 -0.000 3/54675 350.0 1.610 1.610 2.702 0.000 -0.000 -0.000 3/54675 360.0 1.566 1.566 2.623 0.000 -0.000 -0.000 3/54675 370.0 1.524 1.524 2.548 0.000 -0.000 -0.000 3/54675 380.0 1.484 1.484 2.477 0.000 -0.000 -0.000 3/54675 390.0 1.446 1.446 2.410 0.000 -0.000 -0.000 3/54675 400.0 1.411 1.411 2.347 0.000 -0.000 -0.000 3/54675 410.0 1.377 1.377 2.287 0.000 -0.000 -0.000 3/54675 420.0 1.344 1.344 2.231 0.000 -0.000 -0.000 3/54675 430.0 1.314 1.314 2.177 0.000 -0.000 -0.000 3/54675 440.0 1.284 1.284 2.125 0.000 -0.000 -0.000 3/54675 450.0 1.256 1.256 2.076 0.000 -0.000 -0.000 3/54675 460.0 1.229 1.229 2.029 0.000 -0.000 -0.000 3/54675 470.0 1.203 1.203 1.985 0.000 -0.000 -0.000 3/54675 480.0 1.179 1.179 1.942 0.000 -0.000 -0.000 3/54675 490.0 1.155 1.155 1.901 0.000 -0.000 -0.000 3/54675 500.0 1.132 1.132 1.862 0.000 -0.000 -0.000 3/54675 510.0 1.110 1.110 1.825 0.000 -0.000 -0.000 3/54675 520.0 1.089 1.089 1.789 0.000 -0.000 -0.000 3/54675 530.0 1.069 1.069 1.754 0.000 -0.000 -0.000 3/54675 540.0 1.050 1.050 1.721 0.000 -0.000 -0.000 3/54675 550.0 1.031 1.031 1.689 0.000 -0.000 -0.000 3/54675 560.0 1.013 1.013 1.658 0.000 -0.000 -0.000 3/54675 570.0 0.995 0.995 1.628 0.000 -0.000 -0.000 3/54675 580.0 0.978 0.978 1.599 0.000 -0.000 -0.000 3/54675 590.0 0.962 0.962 1.572 0.000 -0.000 -0.000 3/54675 600.0 0.946 0.946 1.545 0.000 -0.000 -0.000 3/54675 610.0 0.931 0.931 1.519 0.000 -0.000 -0.000 3/54675 620.0 0.916 0.916 1.494 0.000 -0.000 -0.000 3/54675 630.0 0.902 0.902 1.470 0.000 -0.000 -0.000 3/54675 640.0 0.888 0.888 1.447 0.000 -0.000 -0.000 3/54675 650.0 0.874 0.874 1.424 0.000 -0.000 -0.000 3/54675 660.0 0.861 0.861 1.402 0.000 -0.000 -0.000 3/54675 670.0 0.849 0.849 1.381 0.000 -0.000 -0.000 3/54675 680.0 0.836 0.836 1.361 0.000 -0.000 -0.000 3/54675 690.0 0.824 0.824 1.341 0.000 -0.000 -0.000 3/54675 700.0 0.813 0.813 1.321 0.000 -0.000 -0.000 3/54675 710.0 0.801 0.801 1.302 0.000 -0.000 -0.000 3/54675 720.0 0.790 0.790 1.284 0.000 -0.000 -0.000 3/54675 730.0 0.780 0.780 1.266 0.000 -0.000 -0.000 3/54675 740.0 0.769 0.769 1.249 0.000 -0.000 -0.000 3/54675 750.0 0.759 0.759 1.232 0.000 -0.000 -0.000 3/54675 760.0 0.749 0.749 1.216 0.000 -0.000 -0.000 3/54675 770.0 0.740 0.740 1.200 0.000 -0.000 -0.000 3/54675 780.0 0.730 0.730 1.184 0.000 -0.000 -0.000 3/54675 790.0 0.721 0.721 1.169 0.000 -0.000 -0.000 3/54675 800.0 0.712 0.712 1.154 0.000 -0.000 -0.000 3/54675 810.0 0.704 0.704 1.140 0.000 -0.000 -0.000 3/54675 820.0 0.695 0.695 1.126 0.000 -0.000 -0.000 3/54675 830.0 0.687 0.687 1.112 0.000 -0.000 -0.000 3/54675 840.0 0.679 0.679 1.099 0.000 -0.000 -0.000 3/54675 850.0 0.671 0.671 1.086 0.000 -0.000 -0.000 3/54675 860.0 0.663 0.663 1.073 0.000 -0.000 -0.000 3/54675 870.0 0.655 0.655 1.060 0.000 -0.000 -0.000 3/54675 880.0 0.648 0.648 1.048 0.000 -0.000 -0.000 3/54675 890.0 0.641 0.641 1.036 0.000 -0.000 -0.000 3/54675 900.0 0.634 0.634 1.025 0.000 -0.000 -0.000 3/54675 910.0 0.627 0.627 1.013 0.000 -0.000 -0.000 3/54675 920.0 0.620 0.620 1.002 0.000 -0.000 -0.000 3/54675 930.0 0.614 0.614 0.992 0.000 -0.000 -0.000 3/54675 940.0 0.607 0.607 0.981 0.000 -0.000 -0.000 3/54675 950.0 0.601 0.601 0.971 0.000 -0.000 -0.000 3/54675 960.0 0.595 0.595 0.960 0.000 -0.000 -0.000 3/54675 970.0 0.588 0.588 0.950 0.000 -0.000 -0.000 3/54675 980.0 0.582 0.582 0.941 0.000 -0.000 -0.000 3/54675 990.0 0.577 0.577 0.931 0.000 -0.000 -0.000 3/54675 1000.0 0.571 0.571 0.922 0.000 -0.000 -0.000 3/54675 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:57:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|