----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:52:18]------------------------- 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 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.826877660059884 0.000000000000000 0.000000000000000 b 0.000000000000000 6.809127359999998 0.000000000000000 c -3.843229370047652 0.000000000000000 9.690379137541965 Atomic positions (fractional): *1 O 0.98581606987783 0.57606453449620 0.11279189296382 15.999 2 O 0.01418393012217 0.57606453449620 0.38720810703617 15.999 3 O 0.01418393012217 0.42393546550380 0.88720810703618 15.999 4 O 0.98581606987783 0.42393546550380 0.61279189296382 15.999 *5 O 0.76191625342332 0.32363469677990 0.86184258987320 15.999 6 O 0.23808374657668 0.32363469677990 0.63815741012680 15.999 7 O 0.23808374657668 0.67636530322010 0.13815741012680 15.999 8 O 0.76191625342332 0.67636530322010 0.36184258987320 15.999 *9 O 0.09762013055066 0.02099724177635 0.11190812054675 15.999 10 O 0.90237986944934 0.02099724177635 0.38809187945325 15.999 11 O 0.90237986944934 0.97900275822365 0.88809187945325 15.999 12 O 0.09762013055066 0.97900275822365 0.61190812054675 15.999 *13 O 0.84433113646116 0.27785252451873 0.17048427122508 15.999 14 O 0.15566886353884 0.27785252451873 0.32951572877492 15.999 15 O 0.15566886353884 0.72214747548127 0.82951572877492 15.999 16 O 0.84433113646116 0.72214747548127 0.67048427122508 15.999 *17 O 0.50000000000000 0.47355117258654 0.75000000000000 15.999 18 O 0.50000000000000 0.52644882741346 0.25000000000000 15.999 *19 O 0.62735118113761 0.85735255622107 0.74864689169722 15.999 20 O 0.37264881886239 0.85735255622107 0.75135310830278 15.999 *21 O 0.44513911344203 0.15241271154199 0.55017314598732 15.999 22 O 0.55486088655797 0.15241271154199 0.94982685401268 15.999 23 O 0.55486088655797 0.84758728845801 0.44982685401269 15.999 24 O 0.44513911344203 0.84758728845801 0.05017314598732 15.999 *25 O 0.75710704700599 0.11525717049977 0.60942673544870 15.999 26 O 0.24289295299401 0.11525717049977 0.89057326455130 15.999 27 O 0.24289295299401 0.88474282950023 0.39057326455130 15.999 28 O 0.75710704700599 0.88474282950023 0.10942673544870 15.999 *29 O 0.64664679254015 0.44678012151240 0.51510672109648 15.999 30 O 0.35335320745985 0.44678012151240 0.98489327890352 15.999 31 O 0.35335320745985 0.55321987848760 0.48489327890352 15.999 32 O 0.64664679254015 0.55321987848760 0.01510672109648 15.999 33 O 0.62735118113761 0.14264744377893 0.24864689169722 15.999 34 O 0.37264881886239 0.14264744377893 0.25135310830278 15.999 *35 Ge 0.61824268121876 0.36002585544739 0.89760053859711 72.640 36 Ge 0.38175731878125 0.36002585544739 0.60239946140289 72.640 37 Ge 0.38175731878125 0.63997414455261 0.10239946140289 72.640 38 Ge 0.61824268121876 0.63997414455261 0.39760053859711 72.640 *39 Ge 0.77593330500689 0.07492265692707 0.22827816727365 72.640 40 Ge 0.22406669499311 0.07492265692707 0.27172183272635 72.640 41 Ge 0.22406669499311 0.92507734307293 0.77172183272635 72.640 42 Ge 0.77593330500689 0.92507734307293 0.72827816727365 72.640 *43 Lu 0.95201337806579 0.25403934298247 0.02534195134000 174.967 44 Lu 0.04798662193421 0.25403934298247 0.47465804866000 174.967 45 Lu 0.04798662193421 0.74596065701753 0.97465804866000 174.967 46 Lu 0.95201337806579 0.74596065701753 0.52534195134000 174.967 *47 Lu 0.83141763297610 0.59453059934487 0.19434920705551 174.967 48 Lu 0.16858236702390 0.59453059934487 0.30565079294449 174.967 49 Lu 0.16858236702390 0.40546940065513 0.80565079294449 174.967 50 Lu 0.83141763297610 0.40546940065513 0.69434920705551 174.967 *51 Lu 0.42771672138188 0.16346473681418 0.07340201206219 174.967 52 Lu 0.57228327861812 0.16346473681418 0.42659798793781 174.967 53 Lu 0.57228327861812 0.83653526318582 0.92659798793781 174.967 54 Lu 0.42771672138188 0.83653526318582 0.57340201206219 174.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.826877660059884 0.000000000000000 0.000000000000000 b 0.000000000000000 6.809127359999998 0.000000000000000 c -3.843229370047652 0.000000000000000 9.690379137541965 Atomic positions (fractional): *1 O 0.98581606987783 0.57606453449620 0.11279189296382 15.999 > 1 2 O 0.01418393012217 0.57606453449620 0.38720810703617 15.999 > 2 3 O 0.01418393012217 0.42393546550380 0.88720810703618 15.999 > 3 4 O 0.98581606987783 0.42393546550380 0.61279189296382 15.999 > 4 *5 O 0.76191625342332 0.32363469677990 0.86184258987320 15.999 > 5 6 O 0.23808374657668 0.32363469677990 0.63815741012680 15.999 > 6 7 O 0.23808374657668 0.67636530322010 0.13815741012680 15.999 > 7 8 O 0.76191625342332 0.67636530322010 0.36184258987320 15.999 > 8 *9 O 0.09762013055066 0.02099724177635 0.11190812054675 15.999 > 9 10 O 0.90237986944934 0.02099724177635 0.38809187945325 15.999 > 10 11 O 0.90237986944934 0.97900275822365 0.88809187945325 15.999 > 11 12 O 0.09762013055066 0.97900275822365 0.61190812054675 15.999 > 12 *13 O 0.84433113646116 0.27785252451873 0.17048427122508 15.999 > 13 14 O 0.15566886353884 0.27785252451873 0.32951572877492 15.999 > 14 15 O 0.15566886353884 0.72214747548127 0.82951572877492 15.999 > 15 16 O 0.84433113646116 0.72214747548127 0.67048427122508 15.999 > 16 *17 O 0.50000000000000 0.47355117258654 0.75000000000000 15.999 > 17 18 O 0.50000000000000 0.52644882741346 0.25000000000000 15.999 > 18 *19 O 0.62735118113761 0.85735255622107 0.74864689169722 15.999 > 19 20 O 0.37264881886239 0.85735255622107 0.75135310830278 15.999 > 20 *21 O 0.44513911344203 0.15241271154199 0.55017314598732 15.999 > 21 22 O 0.55486088655797 0.15241271154199 0.94982685401268 15.999 > 22 23 O 0.55486088655797 0.84758728845801 0.44982685401269 15.999 > 23 24 O 0.44513911344203 0.84758728845801 0.05017314598732 15.999 > 24 *25 O 0.75710704700599 0.11525717049977 0.60942673544870 15.999 > 25 26 O 0.24289295299401 0.11525717049977 0.89057326455130 15.999 > 26 27 O 0.24289295299401 0.88474282950023 0.39057326455130 15.999 > 27 28 O 0.75710704700599 0.88474282950023 0.10942673544870 15.999 > 28 *29 O 0.64664679254015 0.44678012151240 0.51510672109648 15.999 > 29 30 O 0.35335320745985 0.44678012151240 0.98489327890352 15.999 > 30 31 O 0.35335320745985 0.55321987848760 0.48489327890352 15.999 > 31 32 O 0.64664679254015 0.55321987848760 0.01510672109648 15.999 > 32 33 O 0.62735118113761 0.14264744377893 0.24864689169722 15.999 > 33 34 O 0.37264881886239 0.14264744377893 0.25135310830278 15.999 > 34 *35 Ge 0.61824268121876 0.36002585544739 0.89760053859711 72.640 > 35 36 Ge 0.38175731878125 0.36002585544739 0.60239946140289 72.640 > 36 37 Ge 0.38175731878125 0.63997414455261 0.10239946140289 72.640 > 37 38 Ge 0.61824268121876 0.63997414455261 0.39760053859711 72.640 > 38 *39 Ge 0.77593330500689 0.07492265692707 0.22827816727365 72.640 > 39 40 Ge 0.22406669499311 0.07492265692707 0.27172183272635 72.640 > 40 41 Ge 0.22406669499311 0.92507734307293 0.77172183272635 72.640 > 41 42 Ge 0.77593330500689 0.92507734307293 0.72827816727365 72.640 > 42 *43 Lu 0.95201337806579 0.25403934298247 0.02534195134000 174.967 > 43 44 Lu 0.04798662193421 0.25403934298247 0.47465804866000 174.967 > 44 45 Lu 0.04798662193421 0.74596065701753 0.97465804866000 174.967 > 45 46 Lu 0.95201337806579 0.74596065701753 0.52534195134000 174.967 > 46 *47 Lu 0.83141763297610 0.59453059934487 0.19434920705551 174.967 > 47 48 Lu 0.16858236702390 0.59453059934487 0.30565079294449 174.967 > 48 49 Lu 0.16858236702390 0.40546940065513 0.80565079294449 174.967 > 49 50 Lu 0.83141763297610 0.40546940065513 0.69434920705551 174.967 > 50 *51 Lu 0.42771672138188 0.16346473681418 0.07340201206219 174.967 > 51 52 Lu 0.57228327861812 0.16346473681418 0.42659798793781 174.967 > 52 53 Lu 0.57228327861812 0.83653526318582 0.92659798793781 174.967 > 53 54 Lu 0.42771672138188 0.83653526318582 0.57340201206219 174.967 > 54 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.826877660059884 0.000000000000000 0.000000000000000 b 0.000000000000000 13.618254719999996 0.000000000000000 c -3.843229370047652 0.000000000000000 9.690379137541965 Atomic positions (fractional): *1 O 0.98581606987783 0.28803226724810 0.11279189296382 15.999 > 1 2 O 0.98581606987783 0.78803226724810 0.11279189296382 15.999 > 1 3 O 0.01418393012217 0.28803226724810 0.38720810703617 15.999 > 2 4 O 0.01418393012217 0.78803226724810 0.38720810703617 15.999 > 2 5 O 0.01418393012217 0.21196773275190 0.88720810703618 15.999 > 3 6 O 0.01418393012217 0.71196773275190 0.88720810703618 15.999 > 3 7 O 0.98581606987783 0.21196773275190 0.61279189296382 15.999 > 4 8 O 0.98581606987783 0.71196773275190 0.61279189296382 15.999 > 4 *9 O 0.76191625342332 0.16181734838995 0.86184258987320 15.999 > 5 10 O 0.76191625342332 0.66181734838995 0.86184258987320 15.999 > 5 11 O 0.23808374657668 0.16181734838995 0.63815741012680 15.999 > 6 12 O 0.23808374657668 0.66181734838995 0.63815741012680 15.999 > 6 13 O 0.23808374657668 0.33818265161005 0.13815741012680 15.999 > 7 14 O 0.23808374657668 0.83818265161005 0.13815741012680 15.999 > 7 15 O 0.76191625342332 0.33818265161005 0.36184258987320 15.999 > 8 16 O 0.76191625342332 0.83818265161005 0.36184258987320 15.999 > 8 *17 O 0.09762013055066 0.01049862088817 0.11190812054675 15.999 > 9 18 O 0.09762013055066 0.51049862088817 0.11190812054675 15.999 > 9 19 O 0.90237986944934 0.01049862088817 0.38809187945325 15.999 > 10 20 O 0.90237986944934 0.51049862088817 0.38809187945325 15.999 > 10 21 O 0.90237986944934 0.48950137911183 0.88809187945325 15.999 > 11 22 O 0.90237986944934 0.98950137911183 0.88809187945325 15.999 > 11 23 O 0.09762013055066 0.48950137911183 0.61190812054675 15.999 > 12 24 O 0.09762013055066 0.98950137911183 0.61190812054675 15.999 > 12 *25 O 0.84433113646116 0.13892626225936 0.17048427122508 15.999 > 13 26 O 0.84433113646116 0.63892626225936 0.17048427122508 15.999 > 13 27 O 0.15566886353884 0.13892626225936 0.32951572877492 15.999 > 14 28 O 0.15566886353884 0.63892626225936 0.32951572877492 15.999 > 14 29 O 0.15566886353884 0.36107373774064 0.82951572877492 15.999 > 15 30 O 0.15566886353884 0.86107373774064 0.82951572877492 15.999 > 15 31 O 0.84433113646116 0.36107373774064 0.67048427122508 15.999 > 16 32 O 0.84433113646116 0.86107373774064 0.67048427122508 15.999 > 16 *33 O 0.50000000000000 0.23677558629327 0.75000000000000 15.999 > 17 34 O 0.50000000000000 0.73677558629327 0.75000000000000 15.999 > 17 35 O 0.50000000000000 0.26322441370673 0.25000000000000 15.999 > 18 36 O 0.50000000000000 0.76322441370673 0.25000000000000 15.999 > 18 *37 O 0.62735118113761 0.42867627811053 0.74864689169722 15.999 > 19 38 O 0.62735118113761 0.92867627811053 0.74864689169722 15.999 > 19 39 O 0.37264881886239 0.42867627811053 0.75135310830278 15.999 > 20 40 O 0.37264881886239 0.92867627811053 0.75135310830278 15.999 > 20 *41 O 0.44513911344203 0.07620635577099 0.55017314598732 15.999 > 21 42 O 0.44513911344203 0.57620635577099 0.55017314598732 15.999 > 21 43 O 0.55486088655797 0.07620635577099 0.94982685401268 15.999 > 22 44 O 0.55486088655797 0.57620635577099 0.94982685401268 15.999 > 22 45 O 0.55486088655797 0.42379364422901 0.44982685401269 15.999 > 23 46 O 0.55486088655797 0.92379364422901 0.44982685401269 15.999 > 23 47 O 0.44513911344203 0.42379364422901 0.05017314598732 15.999 > 24 48 O 0.44513911344203 0.92379364422901 0.05017314598732 15.999 > 24 *49 O 0.75710704700599 0.05762858524989 0.60942673544870 15.999 > 25 50 O 0.75710704700599 0.55762858524989 0.60942673544870 15.999 > 25 51 O 0.24289295299401 0.05762858524989 0.89057326455130 15.999 > 26 52 O 0.24289295299401 0.55762858524989 0.89057326455130 15.999 > 26 53 O 0.24289295299401 0.44237141475011 0.39057326455130 15.999 > 27 54 O 0.24289295299401 0.94237141475011 0.39057326455130 15.999 > 27 55 O 0.75710704700599 0.44237141475011 0.10942673544870 15.999 > 28 56 O 0.75710704700599 0.94237141475011 0.10942673544870 15.999 > 28 *57 O 0.64664679254015 0.22339006075620 0.51510672109648 15.999 > 29 58 O 0.64664679254015 0.72339006075620 0.51510672109648 15.999 > 29 59 O 0.35335320745985 0.22339006075620 0.98489327890352 15.999 > 30 60 O 0.35335320745985 0.72339006075620 0.98489327890352 15.999 > 30 61 O 0.35335320745985 0.27660993924380 0.48489327890352 15.999 > 31 62 O 0.35335320745985 0.77660993924380 0.48489327890352 15.999 > 31 63 O 0.64664679254015 0.27660993924380 0.01510672109648 15.999 > 32 64 O 0.64664679254015 0.77660993924380 0.01510672109648 15.999 > 32 65 O 0.62735118113761 0.07132372188946 0.24864689169722 15.999 > 33 66 O 0.62735118113761 0.57132372188947 0.24864689169722 15.999 > 33 67 O 0.37264881886239 0.07132372188946 0.25135310830278 15.999 > 34 68 O 0.37264881886239 0.57132372188947 0.25135310830278 15.999 > 34 *69 Ge 0.61824268121876 0.18001292772369 0.89760053859711 72.640 > 35 70 Ge 0.61824268121876 0.68001292772369 0.89760053859711 72.640 > 35 71 Ge 0.38175731878125 0.18001292772369 0.60239946140289 72.640 > 36 72 Ge 0.38175731878125 0.68001292772369 0.60239946140289 72.640 > 36 73 Ge 0.38175731878125 0.31998707227631 0.10239946140289 72.640 > 37 74 Ge 0.38175731878125 0.81998707227631 0.10239946140289 72.640 > 37 75 Ge 0.61824268121876 0.31998707227631 0.39760053859711 72.640 > 38 76 Ge 0.61824268121876 0.81998707227631 0.39760053859711 72.640 > 38 *77 Ge 0.77593330500689 0.03746132846354 0.22827816727365 72.640 > 39 78 Ge 0.77593330500689 0.53746132846354 0.22827816727365 72.640 > 39 79 Ge 0.22406669499311 0.03746132846354 0.27172183272635 72.640 > 40 80 Ge 0.22406669499311 0.53746132846354 0.27172183272635 72.640 > 40 81 Ge 0.22406669499311 0.46253867153646 0.77172183272635 72.640 > 41 82 Ge 0.22406669499311 0.96253867153646 0.77172183272635 72.640 > 41 83 Ge 0.77593330500689 0.46253867153646 0.72827816727365 72.640 > 42 84 Ge 0.77593330500689 0.96253867153646 0.72827816727365 72.640 > 42 *85 Lu 0.95201337806579 0.12701967149123 0.02534195134000 174.967 > 43 86 Lu 0.95201337806579 0.62701967149123 0.02534195134000 174.967 > 43 87 Lu 0.04798662193421 0.12701967149123 0.47465804866000 174.967 > 44 88 Lu 0.04798662193421 0.62701967149123 0.47465804866000 174.967 > 44 89 Lu 0.04798662193421 0.37298032850877 0.97465804866000 174.967 > 45 90 Lu 0.04798662193421 0.87298032850877 0.97465804866000 174.967 > 45 91 Lu 0.95201337806579 0.37298032850877 0.52534195134000 174.967 > 46 92 Lu 0.95201337806579 0.87298032850877 0.52534195134000 174.967 > 46 *93 Lu 0.83141763297610 0.29726529967243 0.19434920705551 174.967 > 47 94 Lu 0.83141763297610 0.79726529967243 0.19434920705551 174.967 > 47 95 Lu 0.16858236702390 0.29726529967243 0.30565079294449 174.967 > 48 96 Lu 0.16858236702390 0.79726529967243 0.30565079294449 174.967 > 48 97 Lu 0.16858236702390 0.20273470032756 0.80565079294449 174.967 > 49 98 Lu 0.16858236702390 0.70273470032757 0.80565079294449 174.967 > 49 99 Lu 0.83141763297610 0.20273470032756 0.69434920705551 174.967 > 50 100 Lu 0.83141763297610 0.70273470032757 0.69434920705551 174.967 > 50 *101 Lu 0.42771672138188 0.08173236840709 0.07340201206219 174.967 > 51 102 Lu 0.42771672138188 0.58173236840709 0.07340201206219 174.967 > 51 103 Lu 0.57228327861812 0.08173236840709 0.42659798793781 174.967 > 52 104 Lu 0.57228327861812 0.58173236840709 0.42659798793781 174.967 > 52 105 Lu 0.57228327861812 0.41826763159291 0.92659798793781 174.967 > 53 106 Lu 0.57228327861812 0.91826763159291 0.92659798793781 174.967 > 53 107 Lu 0.42771672138188 0.41826763159291 0.57340201206219 174.967 > 54 108 Lu 0.42771672138188 0.91826763159291 0.57340201206219 174.967 > 54 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5913964 0.0000000 0.0201270 0.0000000 3.6103781 0.0000000 0.0201270 0.0000000 3.6298894 -------------------------- Born effective charges -------------------------- 1 O -2.6232711 -0.3505281 0.3627889 -0.2927108 -2.0155976 0.0402169 0.4049376 0.0063721 -2.3909974 2 O -2.6232711 0.3505281 0.3627889 0.2927108 -2.0155976 -0.0402169 0.4049376 -0.0063721 -2.3909974 3 O -2.6232711 -0.3505281 0.3627889 -0.2927108 -2.0155976 0.0402169 0.4049376 0.0063721 -2.3909974 4 O -2.6232711 0.3505281 0.3627889 0.2927108 -2.0155976 -0.0402169 0.4049376 -0.0063721 -2.3909974 5 O -2.7977449 0.0496593 0.2090488 0.2352306 -1.3415529 0.1791099 0.1616412 0.1995818 -2.0396402 6 O -2.7977449 -0.0496593 0.2090488 -0.2352306 -1.3415529 -0.1791099 0.1616412 -0.1995818 -2.0396402 7 O -2.7977449 0.0496593 0.2090488 0.2352306 -1.3415529 0.1791099 0.1616412 0.1995818 -2.0396402 8 O -2.7977449 -0.0496593 0.2090488 -0.2352306 -1.3415529 -0.1791099 0.1616412 -0.1995818 -2.0396402 9 O -1.6103622 0.3888191 -0.5602571 0.2814702 -2.2192196 -0.2863681 -0.5957903 -0.1897811 -2.2616394 10 O -1.6103622 -0.3888191 -0.5602571 -0.2814702 -2.2192196 0.2863681 -0.5957903 0.1897811 -2.2616394 11 O -1.6103622 0.3888191 -0.5602571 0.2814702 -2.2192196 -0.2863681 -0.5957903 -0.1897811 -2.2616394 12 O -1.6103622 -0.3888191 -0.5602571 -0.2814702 -2.2192196 0.2863681 -0.5957903 0.1897811 -2.2616394 13 O -1.9431456 -0.3159978 0.3677002 -0.3944320 -2.5366814 0.2046760 0.4187450 0.2181903 -1.8794830 14 O -1.9431456 0.3159978 0.3677002 0.3944320 -2.5366814 -0.2046760 0.4187450 -0.2181903 -1.8794830 15 O -1.9431456 -0.3159978 0.3677002 -0.3944320 -2.5366814 0.2046760 0.4187450 0.2181903 -1.8794830 16 O -1.9431456 0.3159978 0.3677002 0.3944320 -2.5366814 -0.2046760 0.4187450 -0.2181903 -1.8794830 17 O -1.5666973 0.0000000 -0.8070814 0.0000000 -1.5748874 0.0000000 -0.6957523 0.0000000 -2.6177573 18 O -1.5666973 0.0000000 -0.8070814 0.0000000 -1.5748874 0.0000000 -0.6957523 0.0000000 -2.6177573 19 O -2.8254532 -0.3215576 0.2815027 -0.3113745 -1.2818354 0.0573088 0.1404442 0.0055605 -2.2473409 20 O -2.8254532 0.3215576 0.2815027 0.3113745 -1.2818354 -0.0573088 0.1404442 -0.0055605 -2.2473409 21 O -2.0839855 0.3205493 0.4616644 0.3928339 -2.6822374 -0.2130357 0.4732624 -0.2682694 -1.6225871 22 O -2.0839855 -0.3205493 0.4616644 -0.3928339 -2.6822374 0.2130357 0.4732624 0.2682694 -1.6225871 23 O -2.0839855 0.3205493 0.4616644 0.3928339 -2.6822374 -0.2130357 0.4732624 -0.2682694 -1.6225871 24 O -2.0839855 -0.3205493 0.4616644 -0.3928339 -2.6822374 0.2130357 0.4732624 0.2682694 -1.6225871 25 O -1.4908182 -0.1884551 -0.4030924 -0.2126141 -2.4855251 0.1944882 -0.3860490 0.3088083 -2.1937799 26 O -1.4908182 0.1884551 -0.4030924 0.2126141 -2.4855251 -0.1944882 -0.3860490 -0.3088083 -2.1937799 27 O -1.4908182 -0.1884551 -0.4030924 -0.2126141 -2.4855251 0.1944882 -0.3860490 0.3088083 -2.1937799 28 O -1.4908182 0.1884551 -0.4030924 0.2126141 -2.4855251 -0.1944882 -0.3860490 -0.3088083 -2.1937799 29 O -1.5603032 -0.2150335 -0.4484015 -0.1908003 -2.4765387 0.1591898 -0.4919901 0.2741398 -2.1371297 30 O -1.5603032 0.2150335 -0.4484015 0.1908003 -2.4765387 -0.1591898 -0.4919901 -0.2741398 -2.1371297 31 O -1.5603032 -0.2150335 -0.4484015 -0.1908003 -2.4765387 0.1591898 -0.4919901 0.2741398 -2.1371297 32 O -1.5603032 0.2150335 -0.4484015 0.1908003 -2.4765387 -0.1591898 -0.4919901 -0.2741398 -2.1371297 33 O -2.8254532 0.3215576 0.2815027 0.3113745 -1.2818354 -0.0573088 0.1404442 -0.0055605 -2.2473409 34 O -2.8254532 -0.3215576 0.2815027 -0.3113745 -1.2818354 0.0573088 0.1404442 0.0055605 -2.2473409 35 Ge 3.5828313 0.0287843 0.1312248 0.0758069 3.3157256 0.0800062 0.1065185 -0.3293076 3.4219128 36 Ge 3.5828313 -0.0287843 0.1312248 -0.0758069 3.3157256 -0.0800062 0.1065185 0.3293076 3.4219128 37 Ge 3.5828313 0.0287843 0.1312248 0.0758069 3.3157256 0.0800062 0.1065185 -0.3293076 3.4219128 38 Ge 3.5828313 -0.0287843 0.1312248 -0.0758069 3.3157256 -0.0800062 0.1065185 0.3293076 3.4219128 39 Ge 3.4231977 0.1708592 0.1029512 0.1200868 3.3428098 -0.0820098 0.0204763 -0.1341210 3.3245200 40 Ge 3.4231977 -0.1708592 0.1029512 -0.1200868 3.3428098 0.0820098 0.0204763 0.1341210 3.3245200 41 Ge 3.4231977 0.1708592 0.1029512 0.1200868 3.3428098 -0.0820098 0.0204763 -0.1341210 3.3245200 42 Ge 3.4231977 -0.1708592 0.1029512 -0.1200868 3.3428098 0.0820098 0.0204763 0.1341210 3.3245200 43 Lu 3.3587105 -0.1725433 -0.0057714 -0.1136588 3.7183754 -0.1643898 -0.1463797 -0.0563374 3.7906033 44 Lu 3.3587105 0.1725433 -0.0057714 0.1136588 3.7183754 0.1643898 -0.1463797 0.0563374 3.7906033 45 Lu 3.3587105 -0.1725433 -0.0057714 -0.1136588 3.7183754 -0.1643898 -0.1463797 -0.0563374 3.7906033 46 Lu 3.3587105 0.1725433 -0.0057714 0.1136588 3.7183754 0.1643898 -0.1463797 0.0563374 3.7906033 47 Lu 3.7501159 -0.6224356 -0.0036201 -0.5609496 3.6156865 0.0590540 0.1796387 0.1497716 3.5939997 48 Lu 3.7501159 0.6224356 -0.0036201 0.5609496 3.6156865 -0.0590540 0.1796387 -0.1497716 3.5939997 49 Lu 3.7501159 -0.6224356 -0.0036201 -0.5609496 3.6156865 0.0590540 0.1796387 0.1497716 3.5939997 50 Lu 3.7501159 0.6224356 -0.0036201 0.5609496 3.6156865 -0.0590540 0.1796387 -0.1497716 3.5939997 51 Lu 3.6035772 -0.1858671 -0.0921978 -0.0787317 3.8340346 -0.2187857 0.0624215 -0.0346638 3.9504405 52 Lu 3.6035772 0.1858671 -0.0921978 0.0787317 3.8340346 0.2187857 0.0624215 0.0346638 3.9504405 53 Lu 3.6035772 -0.1858671 -0.0921978 -0.0787317 3.8340346 -0.2187857 0.0624215 -0.0346638 3.9504405 54 Lu 3.6035772 0.1858671 -0.0921978 0.0787317 3.8340346 0.2187857 0.0624215 0.0346638 3.9504405 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 26406/26406 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6724 Number of blocks in projector: 6724 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1460 Use submatrix version of eigh solver. (1) Block: 500 / 1460 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1460 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1460 / 1460 (1) 444 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 39 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1456 Use submatrix version of eigh solver. (1) Block: 500 / 1456 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1456 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1456 / 1456 (1) 430 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1456 Use submatrix version of eigh solver. (1) Block: 500 / 1456 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1456 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1456 / 1456 (1) 430 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (6724, 6603), data: False |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1456, 1430), data: False |-- (1456, 48), data: (1456, 74) @ (74, 48) |-- (456, 430), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1456, 1430), data: False |-- (1456, 48), data: (1456, 74) @ (74, 48) |-- (456, 430), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1460, 1433), data: False |-- (1460, 39), data: (1460, 66) @ (66, 39) |-- (460, 444), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1680 - Time: 1.687 Solver_block: 200 / 1680 - Time: 1.448 Solver_block: 300 / 1680 - Time: 1.451 Solver_block: 400 / 1680 - Time: 1.448 Solver_block: 500 / 1680 - Time: 1.454 Solver_block: 600 / 1680 - Time: 1.452 Solver_block: 700 / 1680 - Time: 1.455 Solver_block: 800 / 1680 - Time: 1.451 Solver_block: 900 / 1680 - Time: 1.452 Solver_block: 1000 / 1680 - Time: 1.452 Solver_block: 1100 / 1680 - Time: 1.450 Solver_block: 1200 / 1680 - Time: 1.453 Solver_block: 1300 / 1680 - Time: 1.453 Solver_block: 1400 / 1680 - Time: 1.457 Solver_block: 1500 / 1680 - Time: 1.453 Solver_block: 1600 / 1680 - Time: 1.452 Solver_block: 1680 / 1680 - Time: 1.206 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 25.364 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 26406/26406 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6724 Number of blocks in projector: 6724 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1460 Use submatrix version of eigh solver. (1) Block: 500 / 1460 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1460 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1460 / 1460 (1) 444 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 39 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1456 Use submatrix version of eigh solver. (1) Block: 500 / 1456 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1456 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1456 / 1456 (1) 430 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1456 Use submatrix version of eigh solver. (1) Block: 500 / 1456 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1456 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1456 / 1456 (1) 430 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (6724, 6603), data: False |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1456, 1430), data: False |-- (1456, 48), data: (1456, 74) @ (74, 48) |-- (456, 430), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1456, 1430), data: False |-- (1456, 48), data: (1456, 74) @ (74, 48) |-- (456, 430), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1460, 1433), data: False |-- (1460, 39), data: (1460, 66) @ (66, 39) |-- (460, 444), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 06:53:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:53:54]------------------------- 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 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.826877660059884 0.000000000000000 0.000000000000000 b 0.000000000000000 6.809127359999998 0.000000000000000 c -3.843229370047652 0.000000000000000 9.690379137541965 Atomic positions (fractional): 1 O 0.98581606987783 0.57606453449620 0.11279189296382 15.999 2 O 0.01418393012217 0.57606453449620 0.38720810703617 15.999 3 O 0.01418393012217 0.42393546550380 0.88720810703618 15.999 4 O 0.98581606987783 0.42393546550380 0.61279189296382 15.999 5 O 0.76191625342332 0.32363469677990 0.86184258987320 15.999 6 O 0.23808374657668 0.32363469677990 0.63815741012680 15.999 7 O 0.23808374657668 0.67636530322010 0.13815741012680 15.999 8 O 0.76191625342332 0.67636530322010 0.36184258987320 15.999 9 O 0.09762013055066 0.02099724177635 0.11190812054675 15.999 10 O 0.90237986944934 0.02099724177635 0.38809187945325 15.999 11 O 0.90237986944934 0.97900275822365 0.88809187945325 15.999 12 O 0.09762013055066 0.97900275822365 0.61190812054675 15.999 13 O 0.84433113646116 0.27785252451873 0.17048427122508 15.999 14 O 0.15566886353884 0.27785252451873 0.32951572877492 15.999 15 O 0.15566886353884 0.72214747548127 0.82951572877492 15.999 16 O 0.84433113646116 0.72214747548127 0.67048427122508 15.999 17 O 0.50000000000000 0.47355117258654 0.75000000000000 15.999 18 O 0.50000000000000 0.52644882741346 0.25000000000000 15.999 19 O 0.62735118113761 0.85735255622107 0.74864689169722 15.999 20 O 0.37264881886239 0.85735255622107 0.75135310830278 15.999 21 O 0.44513911344203 0.15241271154199 0.55017314598732 15.999 22 O 0.55486088655797 0.15241271154199 0.94982685401268 15.999 23 O 0.55486088655797 0.84758728845801 0.44982685401269 15.999 24 O 0.44513911344203 0.84758728845801 0.05017314598732 15.999 25 O 0.75710704700599 0.11525717049977 0.60942673544870 15.999 26 O 0.24289295299401 0.11525717049977 0.89057326455130 15.999 27 O 0.24289295299401 0.88474282950023 0.39057326455130 15.999 28 O 0.75710704700599 0.88474282950023 0.10942673544870 15.999 29 O 0.64664679254015 0.44678012151240 0.51510672109648 15.999 30 O 0.35335320745985 0.44678012151240 0.98489327890352 15.999 31 O 0.35335320745985 0.55321987848760 0.48489327890352 15.999 32 O 0.64664679254015 0.55321987848760 0.01510672109648 15.999 33 O 0.62735118113761 0.14264744377893 0.24864689169722 15.999 34 O 0.37264881886239 0.14264744377893 0.25135310830278 15.999 35 Ge 0.61824268121876 0.36002585544739 0.89760053859711 72.640 36 Ge 0.38175731878125 0.36002585544739 0.60239946140289 72.640 37 Ge 0.38175731878125 0.63997414455261 0.10239946140289 72.640 38 Ge 0.61824268121876 0.63997414455261 0.39760053859711 72.640 39 Ge 0.77593330500689 0.07492265692707 0.22827816727365 72.640 40 Ge 0.22406669499311 0.07492265692707 0.27172183272635 72.640 41 Ge 0.22406669499311 0.92507734307293 0.77172183272635 72.640 42 Ge 0.77593330500689 0.92507734307293 0.72827816727365 72.640 43 Lu 0.95201337806579 0.25403934298247 0.02534195134000 174.967 44 Lu 0.04798662193421 0.25403934298247 0.47465804866000 174.967 45 Lu 0.04798662193421 0.74596065701753 0.97465804866000 174.967 46 Lu 0.95201337806579 0.74596065701753 0.52534195134000 174.967 47 Lu 0.83141763297610 0.59453059934487 0.19434920705551 174.967 48 Lu 0.16858236702390 0.59453059934487 0.30565079294449 174.967 49 Lu 0.16858236702390 0.40546940065513 0.80565079294449 174.967 50 Lu 0.83141763297610 0.40546940065513 0.69434920705551 174.967 51 Lu 0.42771672138188 0.16346473681418 0.07340201206219 174.967 52 Lu 0.57228327861812 0.16346473681418 0.42659798793781 174.967 53 Lu 0.57228327861812 0.83653526318582 0.92659798793781 174.967 54 Lu 0.42771672138188 0.83653526318582 0.57340201206219 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.826877660059884 0.000000000000000 0.000000000000000 b 0.000000000000000 13.618254719999996 0.000000000000000 c -3.843229370047652 0.000000000000000 9.690379137541965 Atomic positions (fractional): 1 O 0.98581606987783 0.28803226724810 0.11279189296382 15.999 > 1 2 O 0.98581606987783 0.78803226724810 0.11279189296382 15.999 > 1 3 O 0.01418393012217 0.28803226724810 0.38720810703617 15.999 > 3 4 O 0.01418393012217 0.78803226724810 0.38720810703617 15.999 > 3 5 O 0.01418393012217 0.21196773275190 0.88720810703618 15.999 > 5 6 O 0.01418393012217 0.71196773275190 0.88720810703618 15.999 > 5 7 O 0.98581606987783 0.21196773275190 0.61279189296382 15.999 > 7 8 O 0.98581606987783 0.71196773275190 0.61279189296382 15.999 > 7 9 O 0.76191625342332 0.16181734838995 0.86184258987320 15.999 > 9 10 O 0.76191625342332 0.66181734838995 0.86184258987320 15.999 > 9 11 O 0.23808374657668 0.16181734838995 0.63815741012680 15.999 > 11 12 O 0.23808374657668 0.66181734838995 0.63815741012680 15.999 > 11 13 O 0.23808374657668 0.33818265161005 0.13815741012680 15.999 > 13 14 O 0.23808374657668 0.83818265161005 0.13815741012680 15.999 > 13 15 O 0.76191625342332 0.33818265161005 0.36184258987320 15.999 > 15 16 O 0.76191625342332 0.83818265161005 0.36184258987320 15.999 > 15 17 O 0.09762013055066 0.01049862088817 0.11190812054675 15.999 > 17 18 O 0.09762013055066 0.51049862088817 0.11190812054675 15.999 > 17 19 O 0.90237986944934 0.01049862088817 0.38809187945325 15.999 > 19 20 O 0.90237986944934 0.51049862088817 0.38809187945325 15.999 > 19 21 O 0.90237986944934 0.48950137911183 0.88809187945325 15.999 > 21 22 O 0.90237986944934 0.98950137911183 0.88809187945325 15.999 > 21 23 O 0.09762013055066 0.48950137911183 0.61190812054675 15.999 > 23 24 O 0.09762013055066 0.98950137911183 0.61190812054675 15.999 > 23 25 O 0.84433113646116 0.13892626225936 0.17048427122508 15.999 > 25 26 O 0.84433113646116 0.63892626225936 0.17048427122508 15.999 > 25 27 O 0.15566886353884 0.13892626225936 0.32951572877492 15.999 > 27 28 O 0.15566886353884 0.63892626225936 0.32951572877492 15.999 > 27 29 O 0.15566886353884 0.36107373774064 0.82951572877492 15.999 > 29 30 O 0.15566886353884 0.86107373774064 0.82951572877492 15.999 > 29 31 O 0.84433113646116 0.36107373774064 0.67048427122508 15.999 > 31 32 O 0.84433113646116 0.86107373774064 0.67048427122508 15.999 > 31 33 O 0.50000000000000 0.23677558629327 0.75000000000000 15.999 > 33 34 O 0.50000000000000 0.73677558629327 0.75000000000000 15.999 > 33 35 O 0.50000000000000 0.26322441370673 0.25000000000000 15.999 > 35 36 O 0.50000000000000 0.76322441370673 0.25000000000000 15.999 > 35 37 O 0.62735118113761 0.42867627811053 0.74864689169722 15.999 > 37 38 O 0.62735118113761 0.92867627811053 0.74864689169722 15.999 > 37 39 O 0.37264881886239 0.42867627811053 0.75135310830278 15.999 > 39 40 O 0.37264881886239 0.92867627811053 0.75135310830278 15.999 > 39 41 O 0.44513911344203 0.07620635577099 0.55017314598732 15.999 > 41 42 O 0.44513911344203 0.57620635577099 0.55017314598732 15.999 > 41 43 O 0.55486088655797 0.07620635577099 0.94982685401268 15.999 > 43 44 O 0.55486088655797 0.57620635577099 0.94982685401268 15.999 > 43 45 O 0.55486088655797 0.42379364422901 0.44982685401269 15.999 > 45 46 O 0.55486088655797 0.92379364422901 0.44982685401269 15.999 > 45 47 O 0.44513911344203 0.42379364422901 0.05017314598732 15.999 > 47 48 O 0.44513911344203 0.92379364422901 0.05017314598732 15.999 > 47 49 O 0.75710704700599 0.05762858524989 0.60942673544870 15.999 > 49 50 O 0.75710704700599 0.55762858524989 0.60942673544870 15.999 > 49 51 O 0.24289295299401 0.05762858524989 0.89057326455130 15.999 > 51 52 O 0.24289295299401 0.55762858524989 0.89057326455130 15.999 > 51 53 O 0.24289295299401 0.44237141475011 0.39057326455130 15.999 > 53 54 O 0.24289295299401 0.94237141475011 0.39057326455130 15.999 > 53 55 O 0.75710704700599 0.44237141475011 0.10942673544870 15.999 > 55 56 O 0.75710704700599 0.94237141475011 0.10942673544870 15.999 > 55 57 O 0.64664679254015 0.22339006075620 0.51510672109648 15.999 > 57 58 O 0.64664679254015 0.72339006075620 0.51510672109648 15.999 > 57 59 O 0.35335320745985 0.22339006075620 0.98489327890352 15.999 > 59 60 O 0.35335320745985 0.72339006075620 0.98489327890352 15.999 > 59 61 O 0.35335320745985 0.27660993924380 0.48489327890352 15.999 > 61 62 O 0.35335320745985 0.77660993924380 0.48489327890352 15.999 > 61 63 O 0.64664679254015 0.27660993924380 0.01510672109648 15.999 > 63 64 O 0.64664679254015 0.77660993924380 0.01510672109648 15.999 > 63 65 O 0.62735118113761 0.07132372188946 0.24864689169722 15.999 > 65 66 O 0.62735118113761 0.57132372188947 0.24864689169722 15.999 > 65 67 O 0.37264881886239 0.07132372188946 0.25135310830278 15.999 > 67 68 O 0.37264881886239 0.57132372188947 0.25135310830278 15.999 > 67 69 Ge 0.61824268121876 0.18001292772369 0.89760053859711 72.640 > 69 70 Ge 0.61824268121876 0.68001292772369 0.89760053859711 72.640 > 69 71 Ge 0.38175731878125 0.18001292772369 0.60239946140289 72.640 > 71 72 Ge 0.38175731878125 0.68001292772369 0.60239946140289 72.640 > 71 73 Ge 0.38175731878125 0.31998707227631 0.10239946140289 72.640 > 73 74 Ge 0.38175731878125 0.81998707227631 0.10239946140289 72.640 > 73 75 Ge 0.61824268121876 0.31998707227631 0.39760053859711 72.640 > 75 76 Ge 0.61824268121876 0.81998707227631 0.39760053859711 72.640 > 75 77 Ge 0.77593330500689 0.03746132846354 0.22827816727365 72.640 > 77 78 Ge 0.77593330500689 0.53746132846354 0.22827816727365 72.640 > 77 79 Ge 0.22406669499311 0.03746132846354 0.27172183272635 72.640 > 79 80 Ge 0.22406669499311 0.53746132846354 0.27172183272635 72.640 > 79 81 Ge 0.22406669499311 0.46253867153646 0.77172183272635 72.640 > 81 82 Ge 0.22406669499311 0.96253867153646 0.77172183272635 72.640 > 81 83 Ge 0.77593330500689 0.46253867153646 0.72827816727365 72.640 > 83 84 Ge 0.77593330500689 0.96253867153646 0.72827816727365 72.640 > 83 85 Lu 0.95201337806579 0.12701967149123 0.02534195134000 174.967 > 85 86 Lu 0.95201337806579 0.62701967149123 0.02534195134000 174.967 > 85 87 Lu 0.04798662193421 0.12701967149123 0.47465804866000 174.967 > 87 88 Lu 0.04798662193421 0.62701967149123 0.47465804866000 174.967 > 87 89 Lu 0.04798662193421 0.37298032850877 0.97465804866000 174.967 > 89 90 Lu 0.04798662193421 0.87298032850877 0.97465804866000 174.967 > 89 91 Lu 0.95201337806579 0.37298032850877 0.52534195134000 174.967 > 91 92 Lu 0.95201337806579 0.87298032850877 0.52534195134000 174.967 > 91 93 Lu 0.83141763297610 0.29726529967243 0.19434920705551 174.967 > 93 94 Lu 0.83141763297610 0.79726529967243 0.19434920705551 174.967 > 93 95 Lu 0.16858236702390 0.29726529967243 0.30565079294449 174.967 > 95 96 Lu 0.16858236702390 0.79726529967243 0.30565079294449 174.967 > 95 97 Lu 0.16858236702390 0.20273470032756 0.80565079294449 174.967 > 97 98 Lu 0.16858236702390 0.70273470032757 0.80565079294449 174.967 > 97 99 Lu 0.83141763297610 0.20273470032756 0.69434920705551 174.967 > 99 100 Lu 0.83141763297610 0.70273470032757 0.69434920705551 174.967 > 99 101 Lu 0.42771672138188 0.08173236840709 0.07340201206219 174.967 > 101 102 Lu 0.42771672138188 0.58173236840709 0.07340201206219 174.967 > 101 103 Lu 0.57228327861812 0.08173236840709 0.42659798793781 174.967 > 103 104 Lu 0.57228327861812 0.58173236840709 0.42659798793781 174.967 > 103 105 Lu 0.57228327861812 0.41826763159291 0.92659798793781 174.967 > 105 106 Lu 0.57228327861812 0.91826763159291 0.92659798793781 174.967 > 105 107 Lu 0.42771672138188 0.41826763159291 0.57340201206219 174.967 > 107 108 Lu 0.42771672138188 0.91826763159291 0.57340201206219 174.967 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5913964 0.0000000 0.0201270 0.0000000 3.6103781 0.0000000 0.0201270 0.0000000 3.6298894 -------------------------- Born effective charges -------------------------- 1 O -2.6232711 -0.3505281 0.3627889 -0.2927108 -2.0155976 0.0402169 0.4049376 0.0063721 -2.3909974 2 O -2.6232711 0.3505281 0.3627889 0.2927108 -2.0155976 -0.0402169 0.4049376 -0.0063721 -2.3909974 3 O -2.6232711 -0.3505281 0.3627889 -0.2927108 -2.0155976 0.0402169 0.4049376 0.0063721 -2.3909974 4 O -2.6232711 0.3505281 0.3627889 0.2927108 -2.0155976 -0.0402169 0.4049376 -0.0063721 -2.3909974 5 O -2.7977449 0.0496593 0.2090488 0.2352306 -1.3415529 0.1791099 0.1616412 0.1995818 -2.0396402 6 O -2.7977449 -0.0496593 0.2090488 -0.2352306 -1.3415529 -0.1791099 0.1616412 -0.1995818 -2.0396402 7 O -2.7977449 0.0496593 0.2090488 0.2352306 -1.3415529 0.1791099 0.1616412 0.1995818 -2.0396402 8 O -2.7977449 -0.0496593 0.2090488 -0.2352306 -1.3415529 -0.1791099 0.1616412 -0.1995818 -2.0396402 9 O -1.6103622 0.3888191 -0.5602571 0.2814702 -2.2192196 -0.2863681 -0.5957903 -0.1897811 -2.2616394 10 O -1.6103622 -0.3888191 -0.5602571 -0.2814702 -2.2192196 0.2863681 -0.5957903 0.1897811 -2.2616394 11 O -1.6103622 0.3888191 -0.5602571 0.2814702 -2.2192196 -0.2863681 -0.5957903 -0.1897811 -2.2616394 12 O -1.6103622 -0.3888191 -0.5602571 -0.2814702 -2.2192196 0.2863681 -0.5957903 0.1897811 -2.2616394 13 O -1.9431456 -0.3159978 0.3677002 -0.3944320 -2.5366814 0.2046760 0.4187450 0.2181903 -1.8794830 14 O -1.9431456 0.3159978 0.3677002 0.3944320 -2.5366814 -0.2046760 0.4187450 -0.2181903 -1.8794830 15 O -1.9431456 -0.3159978 0.3677002 -0.3944320 -2.5366814 0.2046760 0.4187450 0.2181903 -1.8794830 16 O -1.9431456 0.3159978 0.3677002 0.3944320 -2.5366814 -0.2046760 0.4187450 -0.2181903 -1.8794830 17 O -1.5666973 0.0000000 -0.8070814 0.0000000 -1.5748874 0.0000000 -0.6957523 0.0000000 -2.6177573 18 O -1.5666973 0.0000000 -0.8070814 0.0000000 -1.5748874 0.0000000 -0.6957523 0.0000000 -2.6177573 19 O -2.8254532 -0.3215576 0.2815027 -0.3113745 -1.2818354 0.0573088 0.1404442 0.0055605 -2.2473409 20 O -2.8254532 0.3215576 0.2815027 0.3113745 -1.2818354 -0.0573088 0.1404442 -0.0055605 -2.2473409 21 O -2.0839855 0.3205493 0.4616644 0.3928339 -2.6822374 -0.2130357 0.4732624 -0.2682694 -1.6225871 22 O -2.0839855 -0.3205493 0.4616644 -0.3928339 -2.6822374 0.2130357 0.4732624 0.2682694 -1.6225871 23 O -2.0839855 0.3205493 0.4616644 0.3928339 -2.6822374 -0.2130357 0.4732624 -0.2682694 -1.6225871 24 O -2.0839855 -0.3205493 0.4616644 -0.3928339 -2.6822374 0.2130357 0.4732624 0.2682694 -1.6225871 25 O -1.4908182 -0.1884551 -0.4030924 -0.2126141 -2.4855251 0.1944882 -0.3860490 0.3088083 -2.1937799 26 O -1.4908182 0.1884551 -0.4030924 0.2126141 -2.4855251 -0.1944882 -0.3860490 -0.3088083 -2.1937799 27 O -1.4908182 -0.1884551 -0.4030924 -0.2126141 -2.4855251 0.1944882 -0.3860490 0.3088083 -2.1937799 28 O -1.4908182 0.1884551 -0.4030924 0.2126141 -2.4855251 -0.1944882 -0.3860490 -0.3088083 -2.1937799 29 O -1.5603032 -0.2150335 -0.4484015 -0.1908003 -2.4765387 0.1591898 -0.4919901 0.2741398 -2.1371297 30 O -1.5603032 0.2150335 -0.4484015 0.1908003 -2.4765387 -0.1591898 -0.4919901 -0.2741398 -2.1371297 31 O -1.5603032 -0.2150335 -0.4484015 -0.1908003 -2.4765387 0.1591898 -0.4919901 0.2741398 -2.1371297 32 O -1.5603032 0.2150335 -0.4484015 0.1908003 -2.4765387 -0.1591898 -0.4919901 -0.2741398 -2.1371297 33 O -2.8254532 0.3215576 0.2815027 0.3113745 -1.2818354 -0.0573088 0.1404442 -0.0055605 -2.2473409 34 O -2.8254532 -0.3215576 0.2815027 -0.3113745 -1.2818354 0.0573088 0.1404442 0.0055605 -2.2473409 35 Ge 3.5828313 0.0287843 0.1312248 0.0758069 3.3157256 0.0800062 0.1065185 -0.3293076 3.4219128 36 Ge 3.5828313 -0.0287843 0.1312248 -0.0758069 3.3157256 -0.0800062 0.1065185 0.3293076 3.4219128 37 Ge 3.5828313 0.0287843 0.1312248 0.0758069 3.3157256 0.0800062 0.1065185 -0.3293076 3.4219128 38 Ge 3.5828313 -0.0287843 0.1312248 -0.0758069 3.3157256 -0.0800062 0.1065185 0.3293076 3.4219128 39 Ge 3.4231977 0.1708592 0.1029512 0.1200868 3.3428098 -0.0820098 0.0204763 -0.1341210 3.3245200 40 Ge 3.4231977 -0.1708592 0.1029512 -0.1200868 3.3428098 0.0820098 0.0204763 0.1341210 3.3245200 41 Ge 3.4231977 0.1708592 0.1029512 0.1200868 3.3428098 -0.0820098 0.0204763 -0.1341210 3.3245200 42 Ge 3.4231977 -0.1708592 0.1029512 -0.1200868 3.3428098 0.0820098 0.0204763 0.1341210 3.3245200 43 Lu 3.3587105 -0.1725433 -0.0057714 -0.1136588 3.7183754 -0.1643898 -0.1463797 -0.0563374 3.7906033 44 Lu 3.3587105 0.1725433 -0.0057714 0.1136588 3.7183754 0.1643898 -0.1463797 0.0563374 3.7906033 45 Lu 3.3587105 -0.1725433 -0.0057714 -0.1136588 3.7183754 -0.1643898 -0.1463797 -0.0563374 3.7906033 46 Lu 3.3587105 0.1725433 -0.0057714 0.1136588 3.7183754 0.1643898 -0.1463797 0.0563374 3.7906033 47 Lu 3.7501159 -0.6224356 -0.0036201 -0.5609496 3.6156865 0.0590540 0.1796387 0.1497716 3.5939997 48 Lu 3.7501159 0.6224356 -0.0036201 0.5609496 3.6156865 -0.0590540 0.1796387 -0.1497716 3.5939997 49 Lu 3.7501159 -0.6224356 -0.0036201 -0.5609496 3.6156865 0.0590540 0.1796387 0.1497716 3.5939997 50 Lu 3.7501159 0.6224356 -0.0036201 0.5609496 3.6156865 -0.0590540 0.1796387 -0.1497716 3.5939997 51 Lu 3.6035772 -0.1858671 -0.0921978 -0.0787317 3.8340346 -0.2187857 0.0624215 -0.0346638 3.9504405 52 Lu 3.6035772 0.1858671 -0.0921978 0.0787317 3.8340346 0.2187857 0.0624215 0.0346638 3.9504405 53 Lu 3.6035772 -0.1858671 -0.0921978 -0.0787317 3.8340346 -0.2187857 0.0624215 -0.0346638 3.9504405 54 Lu 3.6035772 0.1858671 -0.0921978 0.0787317 3.8340346 0.2187857 0.0624215 0.0346638 3.9504405 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 93, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 101, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:54:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:54:52]------------------------- 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 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.826877660059884 0.000000000000000 0.000000000000000 b 0.000000000000000 6.809127359999998 0.000000000000000 c -3.843229370047652 0.000000000000000 9.690379137541965 Atomic positions (fractional): 1 O 0.98581606987783 0.57606453449620 0.11279189296382 15.999 2 O 0.01418393012217 0.57606453449620 0.38720810703617 15.999 3 O 0.01418393012217 0.42393546550380 0.88720810703618 15.999 4 O 0.98581606987783 0.42393546550380 0.61279189296382 15.999 5 O 0.76191625342332 0.32363469677990 0.86184258987320 15.999 6 O 0.23808374657668 0.32363469677990 0.63815741012680 15.999 7 O 0.23808374657668 0.67636530322010 0.13815741012680 15.999 8 O 0.76191625342332 0.67636530322010 0.36184258987320 15.999 9 O 0.09762013055066 0.02099724177635 0.11190812054675 15.999 10 O 0.90237986944934 0.02099724177635 0.38809187945325 15.999 11 O 0.90237986944934 0.97900275822365 0.88809187945325 15.999 12 O 0.09762013055066 0.97900275822365 0.61190812054675 15.999 13 O 0.84433113646116 0.27785252451873 0.17048427122508 15.999 14 O 0.15566886353884 0.27785252451873 0.32951572877492 15.999 15 O 0.15566886353884 0.72214747548127 0.82951572877492 15.999 16 O 0.84433113646116 0.72214747548127 0.67048427122508 15.999 17 O 0.50000000000000 0.47355117258654 0.75000000000000 15.999 18 O 0.50000000000000 0.52644882741346 0.25000000000000 15.999 19 O 0.62735118113761 0.85735255622107 0.74864689169722 15.999 20 O 0.37264881886239 0.85735255622107 0.75135310830278 15.999 21 O 0.44513911344203 0.15241271154199 0.55017314598732 15.999 22 O 0.55486088655797 0.15241271154199 0.94982685401268 15.999 23 O 0.55486088655797 0.84758728845801 0.44982685401269 15.999 24 O 0.44513911344203 0.84758728845801 0.05017314598732 15.999 25 O 0.75710704700599 0.11525717049977 0.60942673544870 15.999 26 O 0.24289295299401 0.11525717049977 0.89057326455130 15.999 27 O 0.24289295299401 0.88474282950023 0.39057326455130 15.999 28 O 0.75710704700599 0.88474282950023 0.10942673544870 15.999 29 O 0.64664679254015 0.44678012151240 0.51510672109648 15.999 30 O 0.35335320745985 0.44678012151240 0.98489327890352 15.999 31 O 0.35335320745985 0.55321987848760 0.48489327890352 15.999 32 O 0.64664679254015 0.55321987848760 0.01510672109648 15.999 33 O 0.62735118113761 0.14264744377893 0.24864689169722 15.999 34 O 0.37264881886239 0.14264744377893 0.25135310830278 15.999 35 Ge 0.61824268121876 0.36002585544739 0.89760053859711 72.640 36 Ge 0.38175731878125 0.36002585544739 0.60239946140289 72.640 37 Ge 0.38175731878125 0.63997414455261 0.10239946140289 72.640 38 Ge 0.61824268121876 0.63997414455261 0.39760053859711 72.640 39 Ge 0.77593330500689 0.07492265692707 0.22827816727365 72.640 40 Ge 0.22406669499311 0.07492265692707 0.27172183272635 72.640 41 Ge 0.22406669499311 0.92507734307293 0.77172183272635 72.640 42 Ge 0.77593330500689 0.92507734307293 0.72827816727365 72.640 43 Lu 0.95201337806579 0.25403934298247 0.02534195134000 174.967 44 Lu 0.04798662193421 0.25403934298247 0.47465804866000 174.967 45 Lu 0.04798662193421 0.74596065701753 0.97465804866000 174.967 46 Lu 0.95201337806579 0.74596065701753 0.52534195134000 174.967 47 Lu 0.83141763297610 0.59453059934487 0.19434920705551 174.967 48 Lu 0.16858236702390 0.59453059934487 0.30565079294449 174.967 49 Lu 0.16858236702390 0.40546940065513 0.80565079294449 174.967 50 Lu 0.83141763297610 0.40546940065513 0.69434920705551 174.967 51 Lu 0.42771672138188 0.16346473681418 0.07340201206219 174.967 52 Lu 0.57228327861812 0.16346473681418 0.42659798793781 174.967 53 Lu 0.57228327861812 0.83653526318582 0.92659798793781 174.967 54 Lu 0.42771672138188 0.83653526318582 0.57340201206219 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.826877660059884 0.000000000000000 0.000000000000000 b 0.000000000000000 13.618254719999996 0.000000000000000 c -3.843229370047652 0.000000000000000 9.690379137541965 Atomic positions (fractional): 1 O 0.98581606987783 0.28803226724810 0.11279189296382 15.999 > 1 2 O 0.98581606987783 0.78803226724810 0.11279189296382 15.999 > 1 3 O 0.01418393012217 0.28803226724810 0.38720810703617 15.999 > 3 4 O 0.01418393012217 0.78803226724810 0.38720810703617 15.999 > 3 5 O 0.01418393012217 0.21196773275190 0.88720810703618 15.999 > 5 6 O 0.01418393012217 0.71196773275190 0.88720810703618 15.999 > 5 7 O 0.98581606987783 0.21196773275190 0.61279189296382 15.999 > 7 8 O 0.98581606987783 0.71196773275190 0.61279189296382 15.999 > 7 9 O 0.76191625342332 0.16181734838995 0.86184258987320 15.999 > 9 10 O 0.76191625342332 0.66181734838995 0.86184258987320 15.999 > 9 11 O 0.23808374657668 0.16181734838995 0.63815741012680 15.999 > 11 12 O 0.23808374657668 0.66181734838995 0.63815741012680 15.999 > 11 13 O 0.23808374657668 0.33818265161005 0.13815741012680 15.999 > 13 14 O 0.23808374657668 0.83818265161005 0.13815741012680 15.999 > 13 15 O 0.76191625342332 0.33818265161005 0.36184258987320 15.999 > 15 16 O 0.76191625342332 0.83818265161005 0.36184258987320 15.999 > 15 17 O 0.09762013055066 0.01049862088817 0.11190812054675 15.999 > 17 18 O 0.09762013055066 0.51049862088817 0.11190812054675 15.999 > 17 19 O 0.90237986944934 0.01049862088817 0.38809187945325 15.999 > 19 20 O 0.90237986944934 0.51049862088817 0.38809187945325 15.999 > 19 21 O 0.90237986944934 0.48950137911183 0.88809187945325 15.999 > 21 22 O 0.90237986944934 0.98950137911183 0.88809187945325 15.999 > 21 23 O 0.09762013055066 0.48950137911183 0.61190812054675 15.999 > 23 24 O 0.09762013055066 0.98950137911183 0.61190812054675 15.999 > 23 25 O 0.84433113646116 0.13892626225936 0.17048427122508 15.999 > 25 26 O 0.84433113646116 0.63892626225936 0.17048427122508 15.999 > 25 27 O 0.15566886353884 0.13892626225936 0.32951572877492 15.999 > 27 28 O 0.15566886353884 0.63892626225936 0.32951572877492 15.999 > 27 29 O 0.15566886353884 0.36107373774064 0.82951572877492 15.999 > 29 30 O 0.15566886353884 0.86107373774064 0.82951572877492 15.999 > 29 31 O 0.84433113646116 0.36107373774064 0.67048427122508 15.999 > 31 32 O 0.84433113646116 0.86107373774064 0.67048427122508 15.999 > 31 33 O 0.50000000000000 0.23677558629327 0.75000000000000 15.999 > 33 34 O 0.50000000000000 0.73677558629327 0.75000000000000 15.999 > 33 35 O 0.50000000000000 0.26322441370673 0.25000000000000 15.999 > 35 36 O 0.50000000000000 0.76322441370673 0.25000000000000 15.999 > 35 37 O 0.62735118113761 0.42867627811053 0.74864689169722 15.999 > 37 38 O 0.62735118113761 0.92867627811053 0.74864689169722 15.999 > 37 39 O 0.37264881886239 0.42867627811053 0.75135310830278 15.999 > 39 40 O 0.37264881886239 0.92867627811053 0.75135310830278 15.999 > 39 41 O 0.44513911344203 0.07620635577099 0.55017314598732 15.999 > 41 42 O 0.44513911344203 0.57620635577099 0.55017314598732 15.999 > 41 43 O 0.55486088655797 0.07620635577099 0.94982685401268 15.999 > 43 44 O 0.55486088655797 0.57620635577099 0.94982685401268 15.999 > 43 45 O 0.55486088655797 0.42379364422901 0.44982685401269 15.999 > 45 46 O 0.55486088655797 0.92379364422901 0.44982685401269 15.999 > 45 47 O 0.44513911344203 0.42379364422901 0.05017314598732 15.999 > 47 48 O 0.44513911344203 0.92379364422901 0.05017314598732 15.999 > 47 49 O 0.75710704700599 0.05762858524989 0.60942673544870 15.999 > 49 50 O 0.75710704700599 0.55762858524989 0.60942673544870 15.999 > 49 51 O 0.24289295299401 0.05762858524989 0.89057326455130 15.999 > 51 52 O 0.24289295299401 0.55762858524989 0.89057326455130 15.999 > 51 53 O 0.24289295299401 0.44237141475011 0.39057326455130 15.999 > 53 54 O 0.24289295299401 0.94237141475011 0.39057326455130 15.999 > 53 55 O 0.75710704700599 0.44237141475011 0.10942673544870 15.999 > 55 56 O 0.75710704700599 0.94237141475011 0.10942673544870 15.999 > 55 57 O 0.64664679254015 0.22339006075620 0.51510672109648 15.999 > 57 58 O 0.64664679254015 0.72339006075620 0.51510672109648 15.999 > 57 59 O 0.35335320745985 0.22339006075620 0.98489327890352 15.999 > 59 60 O 0.35335320745985 0.72339006075620 0.98489327890352 15.999 > 59 61 O 0.35335320745985 0.27660993924380 0.48489327890352 15.999 > 61 62 O 0.35335320745985 0.77660993924380 0.48489327890352 15.999 > 61 63 O 0.64664679254015 0.27660993924380 0.01510672109648 15.999 > 63 64 O 0.64664679254015 0.77660993924380 0.01510672109648 15.999 > 63 65 O 0.62735118113761 0.07132372188946 0.24864689169722 15.999 > 65 66 O 0.62735118113761 0.57132372188947 0.24864689169722 15.999 > 65 67 O 0.37264881886239 0.07132372188946 0.25135310830278 15.999 > 67 68 O 0.37264881886239 0.57132372188947 0.25135310830278 15.999 > 67 69 Ge 0.61824268121876 0.18001292772369 0.89760053859711 72.640 > 69 70 Ge 0.61824268121876 0.68001292772369 0.89760053859711 72.640 > 69 71 Ge 0.38175731878125 0.18001292772369 0.60239946140289 72.640 > 71 72 Ge 0.38175731878125 0.68001292772369 0.60239946140289 72.640 > 71 73 Ge 0.38175731878125 0.31998707227631 0.10239946140289 72.640 > 73 74 Ge 0.38175731878125 0.81998707227631 0.10239946140289 72.640 > 73 75 Ge 0.61824268121876 0.31998707227631 0.39760053859711 72.640 > 75 76 Ge 0.61824268121876 0.81998707227631 0.39760053859711 72.640 > 75 77 Ge 0.77593330500689 0.03746132846354 0.22827816727365 72.640 > 77 78 Ge 0.77593330500689 0.53746132846354 0.22827816727365 72.640 > 77 79 Ge 0.22406669499311 0.03746132846354 0.27172183272635 72.640 > 79 80 Ge 0.22406669499311 0.53746132846354 0.27172183272635 72.640 > 79 81 Ge 0.22406669499311 0.46253867153646 0.77172183272635 72.640 > 81 82 Ge 0.22406669499311 0.96253867153646 0.77172183272635 72.640 > 81 83 Ge 0.77593330500689 0.46253867153646 0.72827816727365 72.640 > 83 84 Ge 0.77593330500689 0.96253867153646 0.72827816727365 72.640 > 83 85 Lu 0.95201337806579 0.12701967149123 0.02534195134000 174.967 > 85 86 Lu 0.95201337806579 0.62701967149123 0.02534195134000 174.967 > 85 87 Lu 0.04798662193421 0.12701967149123 0.47465804866000 174.967 > 87 88 Lu 0.04798662193421 0.62701967149123 0.47465804866000 174.967 > 87 89 Lu 0.04798662193421 0.37298032850877 0.97465804866000 174.967 > 89 90 Lu 0.04798662193421 0.87298032850877 0.97465804866000 174.967 > 89 91 Lu 0.95201337806579 0.37298032850877 0.52534195134000 174.967 > 91 92 Lu 0.95201337806579 0.87298032850877 0.52534195134000 174.967 > 91 93 Lu 0.83141763297610 0.29726529967243 0.19434920705551 174.967 > 93 94 Lu 0.83141763297610 0.79726529967243 0.19434920705551 174.967 > 93 95 Lu 0.16858236702390 0.29726529967243 0.30565079294449 174.967 > 95 96 Lu 0.16858236702390 0.79726529967243 0.30565079294449 174.967 > 95 97 Lu 0.16858236702390 0.20273470032756 0.80565079294449 174.967 > 97 98 Lu 0.16858236702390 0.70273470032757 0.80565079294449 174.967 > 97 99 Lu 0.83141763297610 0.20273470032756 0.69434920705551 174.967 > 99 100 Lu 0.83141763297610 0.70273470032757 0.69434920705551 174.967 > 99 101 Lu 0.42771672138188 0.08173236840709 0.07340201206219 174.967 > 101 102 Lu 0.42771672138188 0.58173236840709 0.07340201206219 174.967 > 101 103 Lu 0.57228327861812 0.08173236840709 0.42659798793781 174.967 > 103 104 Lu 0.57228327861812 0.58173236840709 0.42659798793781 174.967 > 103 105 Lu 0.57228327861812 0.41826763159291 0.92659798793781 174.967 > 105 106 Lu 0.57228327861812 0.91826763159291 0.92659798793781 174.967 > 105 107 Lu 0.42771672138188 0.41826763159291 0.57340201206219 174.967 > 107 108 Lu 0.42771672138188 0.91826763159291 0.57340201206219 174.967 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5913964 0.0000000 0.0201270 0.0000000 3.6103781 0.0000000 0.0201270 0.0000000 3.6298894 -------------------------- Born effective charges -------------------------- 1 O -2.6232711 -0.3505281 0.3627889 -0.2927108 -2.0155976 0.0402169 0.4049376 0.0063721 -2.3909974 2 O -2.6232711 0.3505281 0.3627889 0.2927108 -2.0155976 -0.0402169 0.4049376 -0.0063721 -2.3909974 3 O -2.6232711 -0.3505281 0.3627889 -0.2927108 -2.0155976 0.0402169 0.4049376 0.0063721 -2.3909974 4 O -2.6232711 0.3505281 0.3627889 0.2927108 -2.0155976 -0.0402169 0.4049376 -0.0063721 -2.3909974 5 O -2.7977449 0.0496593 0.2090488 0.2352306 -1.3415529 0.1791099 0.1616412 0.1995818 -2.0396402 6 O -2.7977449 -0.0496593 0.2090488 -0.2352306 -1.3415529 -0.1791099 0.1616412 -0.1995818 -2.0396402 7 O -2.7977449 0.0496593 0.2090488 0.2352306 -1.3415529 0.1791099 0.1616412 0.1995818 -2.0396402 8 O -2.7977449 -0.0496593 0.2090488 -0.2352306 -1.3415529 -0.1791099 0.1616412 -0.1995818 -2.0396402 9 O -1.6103622 0.3888191 -0.5602571 0.2814702 -2.2192196 -0.2863681 -0.5957903 -0.1897811 -2.2616394 10 O -1.6103622 -0.3888191 -0.5602571 -0.2814702 -2.2192196 0.2863681 -0.5957903 0.1897811 -2.2616394 11 O -1.6103622 0.3888191 -0.5602571 0.2814702 -2.2192196 -0.2863681 -0.5957903 -0.1897811 -2.2616394 12 O -1.6103622 -0.3888191 -0.5602571 -0.2814702 -2.2192196 0.2863681 -0.5957903 0.1897811 -2.2616394 13 O -1.9431456 -0.3159978 0.3677002 -0.3944320 -2.5366814 0.2046760 0.4187450 0.2181903 -1.8794830 14 O -1.9431456 0.3159978 0.3677002 0.3944320 -2.5366814 -0.2046760 0.4187450 -0.2181903 -1.8794830 15 O -1.9431456 -0.3159978 0.3677002 -0.3944320 -2.5366814 0.2046760 0.4187450 0.2181903 -1.8794830 16 O -1.9431456 0.3159978 0.3677002 0.3944320 -2.5366814 -0.2046760 0.4187450 -0.2181903 -1.8794830 17 O -1.5666973 0.0000000 -0.8070814 0.0000000 -1.5748874 0.0000000 -0.6957523 0.0000000 -2.6177573 18 O -1.5666973 0.0000000 -0.8070814 0.0000000 -1.5748874 0.0000000 -0.6957523 0.0000000 -2.6177573 19 O -2.8254532 -0.3215576 0.2815027 -0.3113745 -1.2818354 0.0573088 0.1404442 0.0055605 -2.2473409 20 O -2.8254532 0.3215576 0.2815027 0.3113745 -1.2818354 -0.0573088 0.1404442 -0.0055605 -2.2473409 21 O -2.0839855 0.3205493 0.4616644 0.3928339 -2.6822374 -0.2130357 0.4732624 -0.2682694 -1.6225871 22 O -2.0839855 -0.3205493 0.4616644 -0.3928339 -2.6822374 0.2130357 0.4732624 0.2682694 -1.6225871 23 O -2.0839855 0.3205493 0.4616644 0.3928339 -2.6822374 -0.2130357 0.4732624 -0.2682694 -1.6225871 24 O -2.0839855 -0.3205493 0.4616644 -0.3928339 -2.6822374 0.2130357 0.4732624 0.2682694 -1.6225871 25 O -1.4908182 -0.1884551 -0.4030924 -0.2126141 -2.4855251 0.1944882 -0.3860490 0.3088083 -2.1937799 26 O -1.4908182 0.1884551 -0.4030924 0.2126141 -2.4855251 -0.1944882 -0.3860490 -0.3088083 -2.1937799 27 O -1.4908182 -0.1884551 -0.4030924 -0.2126141 -2.4855251 0.1944882 -0.3860490 0.3088083 -2.1937799 28 O -1.4908182 0.1884551 -0.4030924 0.2126141 -2.4855251 -0.1944882 -0.3860490 -0.3088083 -2.1937799 29 O -1.5603032 -0.2150335 -0.4484015 -0.1908003 -2.4765387 0.1591898 -0.4919901 0.2741398 -2.1371297 30 O -1.5603032 0.2150335 -0.4484015 0.1908003 -2.4765387 -0.1591898 -0.4919901 -0.2741398 -2.1371297 31 O -1.5603032 -0.2150335 -0.4484015 -0.1908003 -2.4765387 0.1591898 -0.4919901 0.2741398 -2.1371297 32 O -1.5603032 0.2150335 -0.4484015 0.1908003 -2.4765387 -0.1591898 -0.4919901 -0.2741398 -2.1371297 33 O -2.8254532 0.3215576 0.2815027 0.3113745 -1.2818354 -0.0573088 0.1404442 -0.0055605 -2.2473409 34 O -2.8254532 -0.3215576 0.2815027 -0.3113745 -1.2818354 0.0573088 0.1404442 0.0055605 -2.2473409 35 Ge 3.5828313 0.0287843 0.1312248 0.0758069 3.3157256 0.0800062 0.1065185 -0.3293076 3.4219128 36 Ge 3.5828313 -0.0287843 0.1312248 -0.0758069 3.3157256 -0.0800062 0.1065185 0.3293076 3.4219128 37 Ge 3.5828313 0.0287843 0.1312248 0.0758069 3.3157256 0.0800062 0.1065185 -0.3293076 3.4219128 38 Ge 3.5828313 -0.0287843 0.1312248 -0.0758069 3.3157256 -0.0800062 0.1065185 0.3293076 3.4219128 39 Ge 3.4231977 0.1708592 0.1029512 0.1200868 3.3428098 -0.0820098 0.0204763 -0.1341210 3.3245200 40 Ge 3.4231977 -0.1708592 0.1029512 -0.1200868 3.3428098 0.0820098 0.0204763 0.1341210 3.3245200 41 Ge 3.4231977 0.1708592 0.1029512 0.1200868 3.3428098 -0.0820098 0.0204763 -0.1341210 3.3245200 42 Ge 3.4231977 -0.1708592 0.1029512 -0.1200868 3.3428098 0.0820098 0.0204763 0.1341210 3.3245200 43 Lu 3.3587105 -0.1725433 -0.0057714 -0.1136588 3.7183754 -0.1643898 -0.1463797 -0.0563374 3.7906033 44 Lu 3.3587105 0.1725433 -0.0057714 0.1136588 3.7183754 0.1643898 -0.1463797 0.0563374 3.7906033 45 Lu 3.3587105 -0.1725433 -0.0057714 -0.1136588 3.7183754 -0.1643898 -0.1463797 -0.0563374 3.7906033 46 Lu 3.3587105 0.1725433 -0.0057714 0.1136588 3.7183754 0.1643898 -0.1463797 0.0563374 3.7906033 47 Lu 3.7501159 -0.6224356 -0.0036201 -0.5609496 3.6156865 0.0590540 0.1796387 0.1497716 3.5939997 48 Lu 3.7501159 0.6224356 -0.0036201 0.5609496 3.6156865 -0.0590540 0.1796387 -0.1497716 3.5939997 49 Lu 3.7501159 -0.6224356 -0.0036201 -0.5609496 3.6156865 0.0590540 0.1796387 0.1497716 3.5939997 50 Lu 3.7501159 0.6224356 -0.0036201 0.5609496 3.6156865 -0.0590540 0.1796387 -0.1497716 3.5939997 51 Lu 3.6035772 -0.1858671 -0.0921978 -0.0787317 3.8340346 -0.2187857 0.0624215 -0.0346638 3.9504405 52 Lu 3.6035772 0.1858671 -0.0921978 0.0787317 3.8340346 0.2187857 0.0624215 0.0346638 3.9504405 53 Lu 3.6035772 -0.1858671 -0.0921978 -0.0787317 3.8340346 -0.2187857 0.0624215 -0.0346638 3.9504405 54 Lu 3.6035772 0.1858671 -0.0921978 0.0787317 3.8340346 0.2187857 0.0624215 0.0346638 3.9504405 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 5 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.46, Number of G-points: 297, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/52) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.258 ( 0.000 0.000 0.000) 0.000 1.698 ( 0.000 0.000 0.000) 0.000 1.879 ( 0.000 0.000 0.000) 0.000 1.992 ( 0.000 0.000 0.000) 0.000 2.094 ( 0.000 0.000 0.000) 0.000 2.244 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.332 ( 0.000 0.000 0.000) 0.000 2.482 ( 0.000 0.000 0.000) 0.000 2.498 ( 0.000 0.000 0.000) 0.000 2.657 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 3.080 ( 0.000 0.000 0.000) 0.000 3.135 ( 0.000 0.000 0.000) 0.000 3.173 ( 0.000 0.000 0.000) 0.000 3.177 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.408 ( 0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 0.000) 0.000 3.600 ( 0.000 0.000 0.000) 0.000 3.670 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 3.818 ( 0.000 0.000 0.000) 0.000 3.856 ( 0.000 0.000 0.000) 0.000 3.967 ( 0.000 0.000 0.000) 0.000 4.055 ( 0.000 0.000 0.000) 0.000 4.298 ( 0.000 0.000 0.000) 0.000 4.524 ( 0.000 0.000 0.000) 0.000 4.570 ( 0.000 0.000 0.000) 0.000 4.651 ( 0.000 0.000 0.000) 0.000 4.713 ( 0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 0.000) 0.000 4.778 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 4.975 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 0.000 0.000) 0.000 5.156 ( 0.000 0.000 0.000) 0.000 5.247 ( 0.000 0.000 0.000) 0.000 5.387 ( 0.000 0.000 0.000) 0.000 5.466 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 5.635 ( 0.000 0.000 0.000) 0.000 5.670 ( 0.000 0.000 0.000) 0.000 5.765 ( 0.000 0.000 0.000) 0.000 5.786 ( 0.000 0.000 0.000) 0.000 5.936 ( 0.000 0.000 0.000) 0.000 6.191 ( 0.000 0.000 0.000) 0.000 6.233 ( 0.000 0.000 0.000) 0.000 6.301 ( 0.000 0.000 0.000) 0.000 6.343 ( 0.000 0.000 0.000) 0.000 6.489 ( 0.000 0.000 0.000) 0.000 6.492 ( 0.000 0.000 0.000) 0.000 6.629 ( 0.000 0.000 0.000) 0.000 6.747 ( 0.000 0.000 0.000) 0.000 6.828 ( 0.000 0.000 0.000) 0.000 7.112 ( 0.000 0.000 0.000) 0.000 7.170 ( 0.000 0.000 0.000) 0.000 7.535 ( 0.000 0.000 0.000) 0.000 7.695 ( 0.000 0.000 0.000) 0.000 7.805 ( 0.000 0.000 0.000) 0.000 7.938 ( 0.000 0.000 0.000) 0.000 8.075 ( 0.000 0.000 0.000) 0.000 8.088 ( 0.000 0.000 0.000) 0.000 8.251 ( 0.000 0.000 0.000) 0.000 8.302 ( 0.000 0.000 0.000) 0.000 8.310 ( 0.000 0.000 0.000) 0.000 8.400 ( 0.000 0.000 0.000) 0.000 8.510 ( 0.000 0.000 0.000) 0.000 8.527 ( 0.000 0.000 0.000) 0.000 8.643 ( 0.000 0.000 0.000) 0.000 8.669 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 0.000 0.000) 0.000 8.825 ( 0.000 0.000 0.000) 0.000 8.971 ( 0.000 0.000 0.000) 0.000 9.160 ( 0.000 0.000 0.000) 0.000 9.239 ( 0.000 0.000 0.000) 0.000 9.279 ( 0.000 0.000 0.000) 0.000 9.364 ( 0.000 0.000 0.000) 0.000 9.467 ( 0.000 0.000 0.000) 0.000 9.692 ( 0.000 0.000 0.000) 0.000 9.829 ( 0.000 0.000 0.000) 0.000 9.856 ( 0.000 0.000 0.000) 0.000 10.254 ( 0.000 0.000 0.000) 0.000 10.452 ( 0.000 0.000 0.000) 0.000 10.493 ( 0.000 0.000 0.000) 0.000 11.029 ( 0.000 0.000 0.000) 0.000 11.256 ( 0.000 0.000 0.000) 0.000 11.401 ( 0.000 0.000 0.000) 0.000 11.691 ( 0.000 0.000 0.000) 0.000 11.817 ( 0.000 0.000 0.000) 0.000 11.871 ( 0.000 0.000 0.000) 0.000 12.016 ( 0.000 0.000 0.000) 0.000 12.046 ( 0.000 0.000 0.000) 0.000 12.189 ( 0.000 0.000 0.000) 0.000 12.205 ( 0.000 0.000 0.000) 0.000 12.302 ( 0.000 0.000 0.000) 0.000 12.336 ( 0.000 0.000 0.000) 0.000 12.434 ( 0.000 0.000 0.000) 0.000 12.855 ( 0.000 0.000 0.000) 0.000 12.856 ( 0.000 0.000 0.000) 0.000 12.925 ( 0.000 0.000 0.000) 0.000 12.991 ( 0.000 0.000 0.000) 0.000 13.446 ( 0.000 0.000 0.000) 0.000 13.504 ( 0.000 0.000 0.000) 0.000 13.507 ( 0.000 0.000 0.000) 0.000 13.586 ( 0.000 0.000 0.000) 0.000 13.593 ( 0.000 0.000 0.000) 0.000 13.739 ( 0.000 0.000 0.000) 0.000 13.848 ( 0.000 0.000 0.000) 0.000 13.982 ( 0.000 0.000 0.000) 0.000 14.152 ( 0.000 0.000 0.000) 0.000 14.383 ( 0.000 0.000 0.000) 0.000 14.582 ( 0.000 0.000 0.000) 0.000 14.658 ( 0.000 0.000 0.000) 0.000 15.015 ( 0.000 0.000 0.000) 0.000 15.374 ( 0.000 0.000 0.000) 0.000 15.661 ( 0.000 0.000 0.000) 0.000 15.694 ( 0.000 0.000 0.000) 0.000 16.267 ( 0.000 0.000 0.000) 0.000 16.490 ( 0.000 0.000 0.000) 0.000 17.326 ( 0.000 0.000 0.000) 0.000 17.665 ( 0.000 0.000 0.000) 0.000 18.225 ( 0.000 0.000 0.000) 0.000 20.565 ( 0.000 0.000 0.000) 0.000 20.832 ( 0.000 0.000 0.000) 0.000 21.118 ( 0.000 0.000 0.000) 0.000 21.136 ( 0.000 0.000 0.000) 0.000 21.219 ( 0.000 0.000 0.000) 0.000 21.255 ( 0.000 0.000 0.000) 0.000 21.478 ( 0.000 0.000 0.000) 0.000 21.545 ( 0.000 0.000 0.000) 0.000 21.865 ( 0.000 0.000 0.000) 0.000 21.997 ( 0.000 0.000 0.000) 0.000 22.110 ( 0.000 0.000 0.000) 0.000 22.228 ( 0.000 0.000 0.000) 0.000 22.401 ( 0.000 0.000 0.000) 0.000 22.678 ( 0.000 0.000 0.000) 0.000 22.741 ( 0.000 0.000 0.000) 0.000 23.013 ( 0.000 0.000 0.000) 0.000 23.030 ( 0.000 0.000 0.000) 0.000 23.073 ( 0.000 0.000 0.000) 0.000 23.324 ( 0.000 0.000 0.000) 0.000 23.391 ( 0.000 0.000 0.000) 0.000 23.474 ( 0.000 0.000 0.000) 0.000 23.591 ( 0.000 0.000 0.000) 0.000 23.622 ( 0.000 0.000 0.000) 0.000 23.906 ( 0.000 0.000 0.000) 0.000 24.037 ( 0.000 0.000 0.000) 0.000 24.242 ( 0.000 0.000 0.000) 0.000 24.260 ( 0.000 0.000 0.000) 0.000 24.439 ( 0.000 0.000 0.000) 0.000 25.533 ( 0.000 0.000 0.000) 0.000 25.658 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/52) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 24.553 0.000 11.628) 27.168 0.589 ( 26.051 0.000 4.742) 26.479 1.037 ( 43.362 0.000 25.452) 50.280 1.171 ( -4.366 0.000 -2.249) 4.911 1.692 ( -0.888 0.000 -5.966) 6.032 1.896 ( -3.399 0.000 3.363) 4.782 1.972 ( -3.160 0.000 5.243) 6.121 2.057 ( 0.759 0.000 -4.018) 4.089 2.254 ( -0.212 0.000 0.519) 0.561 2.304 ( 1.288 0.000 5.587) 5.734 2.399 ( 2.609 0.000 5.529) 6.113 2.422 ( -3.002 0.000 -1.078) 3.190 2.499 ( -5.724 0.000 -4.710) 7.413 2.529 ( 1.489 0.000 -1.385) 2.033 2.647 ( -7.766 0.000 -1.032) 7.834 2.776 ( 3.304 0.000 2.634) 4.225 2.778 ( 5.037 0.000 6.106) 7.916 3.028 ( -0.744 0.000 -6.532) 6.574 3.128 ( -3.848 0.000 7.839) 8.733 3.219 ( 1.316 0.000 0.720) 1.500 3.219 ( 2.520 0.000 0.492) 2.568 3.228 ( -2.369 0.000 3.735) 4.423 3.300 ( 8.700 0.000 -5.370) 10.224 3.424 ( 0.505 0.000 2.450) 2.501 3.459 ( -9.663 0.000 -6.626) 11.716 3.606 ( 0.166 0.000 -3.253) 3.257 3.610 ( 0.855 0.000 -2.870) 2.995 3.679 ( -2.453 0.000 5.191) 5.741 3.733 ( 1.301 0.000 3.020) 3.288 3.787 ( -2.060 0.000 -0.191) 2.069 3.843 ( 4.293 0.000 0.738) 4.356 3.859 ( -1.936 0.000 -2.259) 2.975 4.045 ( 7.501 0.000 1.408) 7.632 4.064 ( 0.525 0.000 3.639) 3.676 4.237 ( -2.292 0.000 -5.383) 5.850 4.361 ( -10.601 0.000 -0.887) 10.638 4.554 ( -10.842 0.000 1.904) 11.008 4.675 ( 0.950 0.000 -1.668) 1.920 4.708 ( -2.739 0.000 -4.262) 5.066 4.741 ( -2.318 0.000 -3.202) 3.953 4.827 ( -2.456 0.000 4.309) 4.960 4.907 ( 8.370 0.000 3.098) 8.925 5.020 ( 0.336 0.000 4.580) 4.593 5.040 ( -2.371 0.000 -5.686) 6.160 5.152 ( 2.656 0.000 -1.304) 2.959 5.187 ( 6.560 0.000 -0.103) 6.561 5.271 ( 4.842 0.000 2.193) 5.315 5.464 ( 0.308 0.000 -2.064) 2.087 5.480 ( -1.176 0.000 7.613) 7.703 5.560 ( -1.594 0.000 -3.147) 3.528 5.650 ( -1.852 0.000 3.968) 4.379 5.683 ( 3.493 0.000 -4.658) 5.822 5.718 ( -3.900 0.000 -0.657) 3.955 5.790 ( 0.119 0.000 -0.822) 0.831 5.875 ( -2.031 0.000 -2.559) 3.266 6.201 ( -2.889 0.000 -2.572) 3.868 6.252 ( -3.923 0.000 -1.116) 4.078 6.350 ( 0.499 0.000 -2.812) 2.856 6.467 ( 0.929 0.000 -3.402) 3.527 6.480 ( -2.004 0.000 1.628) 2.582 6.598 ( -0.836 0.000 2.649) 2.778 6.780 ( 1.337 0.000 0.108) 1.341 6.844 ( -1.679 0.000 3.248) 3.657 7.023 ( -5.261 0.000 7.688) 9.316 7.144 ( 0.450 0.000 -0.817) 0.933 7.340 ( 7.643 0.000 1.463) 7.782 7.548 ( 1.017 0.000 1.014) 1.436 7.756 ( 3.293 0.000 -4.440) 5.528 7.808 ( -0.226 0.000 0.906) 0.934 7.973 ( 2.459 0.000 3.097) 3.955 8.011 ( -4.651 0.000 -1.445) 4.870 8.112 ( 0.151 0.000 4.505) 4.507 8.284 ( 0.774 0.000 -2.471) 2.589 8.307 ( 3.784 0.000 1.085) 3.936 8.363 ( 1.623 0.000 3.410) 3.776 8.433 ( -10.010 0.000 17.950) 20.553 8.499 ( -0.902 0.000 1.237) 1.531 8.500 ( -1.265 0.000 -3.460) 3.684 8.599 ( -5.590 0.000 4.959) 7.472 8.656 ( -0.506 0.000 -2.548) 2.597 8.766 ( 2.165 0.000 -7.155) 7.475 8.788 ( -3.248 0.000 -0.087) 3.249 8.998 ( 2.005 0.000 -0.946) 2.217 9.086 ( -4.478 0.000 0.756) 4.541 9.210 ( -4.436 0.000 2.878) 5.288 9.336 ( 2.271 0.000 2.582) 3.439 9.499 ( 3.025 0.000 -0.876) 3.149 9.514 ( 1.680 0.000 -3.821) 4.174 9.694 ( 0.447 0.000 -1.478) 1.544 9.838 ( 0.607 0.000 1.137) 1.289 9.900 ( 4.633 0.000 -1.707) 4.938 10.196 ( -5.021 0.000 0.183) 5.024 10.472 ( -1.988 0.000 -0.336) 2.017 10.495 ( 3.278 0.000 0.310) 3.293 11.070 ( -3.614 0.000 7.329) 8.172 11.381 ( -0.869 0.000 -1.969) 2.152 11.555 ( 3.995 0.000 -8.948) 9.799 11.724 ( 1.628 0.000 2.861) 3.291 11.808 ( -0.937 0.000 -0.245) 0.968 11.868 ( -0.635 0.000 0.336) 0.719 12.011 ( -0.662 0.000 2.717) 2.797 12.122 ( 5.127 0.000 -12.201) 13.234 12.145 ( 0.667 0.000 -5.439) 5.479 12.274 ( 4.104 0.000 1.152) 4.262 12.327 ( -1.628 0.000 2.235) 2.765 12.435 ( -0.871 0.000 2.602) 2.744 12.795 ( -5.565 0.000 -6.447) 8.517 12.857 ( -2.448 0.000 -2.140) 3.252 12.884 ( 2.288 0.000 1.993) 3.034 12.995 ( -2.306 0.000 4.580) 5.128 13.284 ( -6.108 0.000 17.393) 18.435 13.389 ( -1.085 0.000 3.502) 3.667 13.492 ( -4.730 0.000 -4.066) 6.238 13.523 ( 0.616 0.000 -0.081) 0.621 13.643 ( 0.169 0.000 0.493) 0.522 13.692 ( 4.890 0.000 -1.661) 5.164 13.764 ( 8.896 0.000 3.096) 9.419 13.955 ( -2.238 0.000 -1.698) 2.809 14.182 ( 2.066 0.000 0.915) 2.259 14.234 ( -7.774 0.000 -4.249) 8.860 14.492 ( -17.942 0.000 47.851) 51.104 14.556 ( -2.378 0.000 -3.574) 4.293 14.885 ( 11.447 0.000 11.328) 16.105 14.969 ( -2.006 0.000 -3.511) 4.043 15.369 ( -1.209 0.000 1.522) 1.944 15.634 ( -7.534 0.000 7.011) 10.292 15.664 ( 1.990 0.000 -8.454) 8.685 16.234 ( -2.436 0.000 -1.842) 3.054 17.252 ( 21.247 0.000 -53.048) 57.145 17.392 ( 4.609 0.000 4.522) 6.457 17.676 ( 1.180 0.000 -1.152) 1.649 18.230 ( 0.512 0.000 0.023) 0.512 20.750 ( -6.481 0.000 -0.626) 6.511 20.975 ( -0.870 0.000 1.763) 1.966 21.145 ( 1.298 0.000 2.164) 2.523 21.227 ( 0.946 0.000 -0.682) 1.166 21.256 ( 0.948 0.000 -3.375) 3.506 21.388 ( -9.162 0.000 26.643) 28.174 21.593 ( 3.899 0.000 1.317) 4.115 21.781 ( -1.498 0.000 -7.864) 8.005 21.957 ( 1.261 0.000 7.351) 7.458 21.972 ( -1.436 0.000 -1.184) 1.862 22.118 ( -0.478 0.000 3.413) 3.447 22.282 ( 3.079 0.000 4.297) 5.286 22.345 ( -3.721 0.000 -3.895) 5.387 22.698 ( 1.943 0.000 0.540) 2.017 22.776 ( 2.893 0.000 -2.815) 4.036 23.011 ( -2.149 0.000 0.343) 2.176 23.098 ( 1.293 0.000 3.163) 3.417 23.220 ( -4.562 0.000 -5.988) 7.527 23.415 ( 1.546 0.000 -1.306) 2.024 23.467 ( 2.822 0.000 3.101) 4.193 23.592 ( -1.659 0.000 -3.829) 4.173 23.603 ( 1.196 0.000 0.412) 1.265 23.886 ( -2.009 0.000 0.209) 2.020 24.045 ( 1.143 0.000 -1.287) 1.721 24.237 ( -0.082 0.000 -1.008) 1.012 24.258 ( 0.645 0.000 -1.976) 2.079 24.432 ( 6.154 0.000 -15.914) 17.063 24.454 ( 8.089 0.000 -18.560) 20.246 25.659 ( -0.086 0.000 0.434) 0.443 25.661 ( -3.046 0.000 8.478) 9.008 ======================= Grid point 2 (3/52) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 0.258 0.000 -2.388) 2.402 1.056 ( 20.171 0.000 10.411) 22.699 1.302 ( 18.257 0.000 6.219) 19.287 1.503 ( -12.511 0.000 -9.072) 15.454 1.675 ( -12.849 0.000 -2.711) 13.132 1.962 ( 24.751 0.000 13.926) 28.400 1.974 ( -0.921 0.000 3.405) 3.528 2.128 ( 11.812 0.000 2.239) 12.022 2.253 ( -0.025 0.000 -0.059) 0.064 2.358 ( -1.279 0.000 2.432) 2.747 2.384 ( 2.296 0.000 -1.568) 2.780 2.405 ( -3.010 0.000 1.680) 3.447 2.455 ( -1.727 0.000 3.406) 3.819 2.515 ( -4.267 0.000 1.647) 4.574 2.545 ( 0.230 0.000 -1.640) 1.656 2.829 ( 0.137 0.000 -1.262) 1.269 2.910 ( -20.995 0.000 -13.171) 24.785 2.917 ( 2.638 0.000 6.800) 7.294 2.993 ( 2.405 0.000 -3.978) 4.649 3.084 ( -4.386 0.000 -0.449) 4.409 3.265 ( 0.974 0.000 1.601) 1.874 3.291 ( 1.399 0.000 11.915) 11.997 3.356 ( -1.485 0.000 0.533) 1.577 3.358 ( 4.662 0.000 -12.259) 13.116 3.477 ( 0.810 0.000 0.658) 1.043 3.617 ( 1.958 0.000 -0.659) 2.065 3.648 ( 3.296 0.000 1.612) 3.669 3.692 ( 0.385 0.000 -0.401) 0.556 3.732 ( -2.085 0.000 1.344) 2.481 3.789 ( 2.569 0.000 0.693) 2.661 3.830 ( 1.174 0.000 2.321) 2.601 3.888 ( 2.603 0.000 -2.670) 3.729 4.027 ( -9.176 0.000 -2.891) 9.621 4.057 ( -6.470 0.000 2.360) 6.887 4.240 ( -0.687 0.000 1.111) 1.306 4.295 ( 11.402 0.000 -2.197) 11.612 4.444 ( -4.459 0.000 4.253) 6.162 4.572 ( -6.569 0.000 -3.070) 7.251 4.670 ( 0.480 0.000 -3.740) 3.771 4.710 ( 0.913 0.000 -0.194) 0.933 4.815 ( -1.955 0.000 -1.610) 2.533 4.928 ( -1.382 0.000 -2.732) 3.062 5.008 ( 0.072 0.000 8.703) 8.704 5.081 ( 0.113 0.000 -5.489) 5.490 5.209 ( 5.416 0.000 5.564) 7.765 5.347 ( 6.436 0.000 2.663) 6.965 5.362 ( 2.564 0.000 1.271) 2.862 5.401 ( -4.381 0.000 -6.762) 8.057 5.474 ( -2.852 0.000 0.662) 2.928 5.513 ( -0.356 0.000 -1.436) 1.480 5.623 ( -1.830 0.000 1.515) 2.376 5.647 ( -2.092 0.000 -0.904) 2.279 5.711 ( 2.999 0.000 -4.907) 5.751 5.776 ( -0.914 0.000 -0.110) 0.921 5.907 ( 3.689 0.000 2.264) 4.329 6.106 ( -4.698 0.000 -1.415) 4.906 6.186 ( -1.684 0.000 -0.650) 1.805 6.298 ( -1.976 0.000 -2.061) 2.855 6.468 ( 0.663 0.000 -1.227) 1.395 6.480 ( 0.149 0.000 1.440) 1.447 6.631 ( 1.354 0.000 1.109) 1.750 6.780 ( -0.706 0.000 -0.158) 0.723 6.799 ( -2.978 0.000 1.217) 3.217 7.017 ( -0.334 0.000 2.187) 2.212 7.153 ( 0.539 0.000 -0.314) 0.623 7.482 ( 5.385 0.000 0.782) 5.442 7.581 ( 1.186 0.000 0.882) 1.478 7.760 ( -0.420 0.000 -1.352) 1.416 7.805 ( -0.568 0.000 0.445) 0.721 7.927 ( -2.504 0.000 -0.916) 2.666 8.050 ( 3.149 0.000 0.615) 3.209 8.138 ( -1.160 0.000 4.763) 4.902 8.300 ( 2.178 0.000 -2.206) 3.100 8.358 ( 0.891 0.000 0.333) 0.951 8.366 ( -3.214 0.000 1.437) 3.521 8.424 ( -0.306 0.000 6.224) 6.231 8.451 ( -0.199 0.000 -4.348) 4.353 8.525 ( 2.077 0.000 2.599) 3.327 8.546 ( -2.779 0.000 3.084) 4.152 8.612 ( -1.696 0.000 -3.267) 3.681 8.729 ( -2.286 0.000 0.026) 2.287 8.730 ( -0.173 0.000 -5.176) 5.179 8.991 ( -0.967 0.000 -0.359) 1.031 9.068 ( 0.609 0.000 0.425) 0.742 9.158 ( -2.462 0.000 1.814) 3.058 9.375 ( 0.479 0.000 1.337) 1.420 9.529 ( 0.995 0.000 0.080) 0.998 9.535 ( 1.107 0.000 -0.500) 1.214 9.683 ( -0.243 0.000 -1.237) 1.260 9.868 ( 1.367 0.000 0.668) 1.521 9.966 ( 2.719 0.000 -0.930) 2.874 10.113 ( -3.140 0.000 0.141) 3.143 10.430 ( -1.607 0.000 -0.235) 1.624 10.546 ( 1.581 0.000 0.170) 1.590 11.058 ( -1.067 0.000 1.597) 1.920 11.357 ( -0.440 0.000 -0.873) 0.977 11.566 ( 1.251 0.000 -1.869) 2.249 11.766 ( 0.617 0.000 1.756) 1.861 11.785 ( -0.907 0.000 -0.129) 0.916 11.854 ( -0.578 0.000 -0.154) 0.598 12.044 ( 0.884 0.000 5.139) 5.214 12.101 ( 0.736 0.000 -8.193) 8.226 12.139 ( 1.430 0.000 -2.784) 3.130 12.317 ( -0.803 0.000 1.381) 1.597 12.355 ( 3.026 0.000 0.208) 3.033 12.453 ( 1.576 0.000 2.625) 3.062 12.620 ( -7.156 0.000 -3.488) 7.961 12.821 ( -0.278 0.000 -1.734) 1.756 12.953 ( 2.562 0.000 1.887) 3.182 12.975 ( -1.834 0.000 2.038) 2.741 13.276 ( -3.357 0.000 3.495) 4.846 13.390 ( -1.694 0.000 -2.411) 2.947 13.450 ( 3.269 0.000 4.988) 5.963 13.543 ( 0.487 0.000 0.696) 0.850 13.562 ( -4.292 0.000 -4.095) 5.932 13.774 ( 4.032 0.000 0.996) 4.153 13.884 ( -3.402 0.000 -2.144) 4.021 14.025 ( 10.765 0.000 7.856) 13.327 14.112 ( -2.890 0.000 -1.256) 3.152 14.203 ( -0.170 0.000 -3.431) 3.435 14.428 ( -6.814 0.000 -2.649) 7.311 14.509 ( -4.008 0.000 11.586) 12.259 14.940 ( 1.037 0.000 -2.689) 2.882 15.162 ( 9.887 0.000 5.298) 11.217 15.355 ( -1.142 0.000 1.201) 1.657 15.501 ( -7.505 0.000 -0.980) 7.569 15.650 ( 0.286 0.000 -1.721) 1.744 16.178 ( -1.631 0.000 -0.901) 1.863 17.256 ( 5.097 0.000 -12.509) 13.508 17.513 ( 3.747 0.000 3.130) 4.882 17.676 ( -0.242 0.000 -1.255) 1.278 18.239 ( 0.310 0.000 0.015) 0.310 20.648 ( -3.124 0.000 -0.344) 3.143 20.972 ( -0.204 0.000 0.300) 0.363 21.188 ( 1.211 0.000 3.077) 3.307 21.232 ( -0.618 0.000 -3.723) 3.774 21.237 ( 0.488 0.000 -0.433) 0.652 21.417 ( -2.270 0.000 8.934) 9.218 21.665 ( 2.144 0.000 0.619) 2.231 21.713 ( -0.392 0.000 -4.834) 4.850 21.946 ( -0.593 0.000 -0.442) 0.739 22.016 ( 1.357 0.000 1.040) 1.710 22.153 ( -0.335 0.000 8.919) 8.926 22.238 ( -2.596 0.000 -7.574) 8.007 22.364 ( 1.895 0.000 2.786) 3.369 22.747 ( 2.159 0.000 0.257) 2.175 22.799 ( 1.127 0.000 -1.242) 1.678 22.968 ( -2.299 0.000 0.960) 2.492 23.113 ( -2.104 0.000 -4.030) 4.546 23.147 ( 1.118 0.000 2.094) 2.374 23.448 ( 1.392 0.000 3.340) 3.619 23.513 ( 0.665 0.000 0.979) 1.183 23.517 ( -2.171 0.000 -5.486) 5.900 23.635 ( 1.228 0.000 0.631) 1.380 23.850 ( -1.394 0.000 -0.117) 1.399 24.055 ( 0.593 0.000 -0.728) 0.939 24.229 ( -0.035 0.000 -0.617) 0.618 24.256 ( 0.390 0.000 -1.105) 1.172 24.432 ( 1.440 0.000 -3.465) 3.753 24.464 ( 1.821 0.000 -3.913) 4.316 25.661 ( -0.048 0.000 0.273) 0.277 25.666 ( -0.634 0.000 2.085) 2.180 ======================= Grid point 5 (4/52) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 0.000 22.009 0.000) 22.009 0.564 ( 0.000 26.482 0.000) 26.482 1.140 ( 0.000 51.678 0.000) 51.678 1.652 ( 0.000 29.900 0.000) 29.900 1.893 ( 0.000 14.221 0.000) 14.221 1.988 ( 0.000 7.408 0.000) 7.408 2.064 ( 0.000 5.969 0.000) 5.969 2.204 ( 0.000 -1.804 0.000) 1.804 2.217 ( 0.000 11.504 0.000) 11.504 2.281 ( 0.000 0.978 0.000) 0.978 2.381 ( 0.000 3.998 0.000) 3.998 2.502 ( 0.000 1.831 0.000) 1.831 2.585 ( 0.000 1.265 0.000) 1.265 2.615 ( 0.000 2.037 0.000) 2.037 2.729 ( 0.000 5.906 0.000) 5.906 2.775 ( 0.000 6.792 0.000) 6.792 2.793 ( 0.000 1.509 0.000) 1.509 2.998 ( 0.000 -9.027 0.000) 9.027 3.030 ( 0.000 -2.753 0.000) 2.753 3.174 ( 0.000 0.875 0.000) 0.875 3.209 ( 0.000 -1.808 0.000) 1.808 3.222 ( 0.000 2.022 0.000) 2.022 3.301 ( 0.000 7.141 0.000) 7.141 3.463 ( 0.000 -7.581 0.000) 7.581 3.491 ( 0.000 6.235 0.000) 6.235 3.622 ( 0.000 5.895 0.000) 5.895 3.625 ( 0.000 -2.238 0.000) 2.238 3.723 ( 0.000 -0.282 0.000) 0.282 3.725 ( 0.000 -3.253 0.000) 3.253 3.829 ( 0.000 7.971 0.000) 7.971 3.885 ( 0.000 9.118 0.000) 9.118 3.957 ( 0.000 10.795 0.000) 10.795 3.999 ( 0.000 2.909 0.000) 2.909 4.284 ( 0.000 -0.960 0.000) 0.960 4.293 ( 0.000 11.512 0.000) 11.512 4.495 ( 0.000 -3.329 0.000) 3.329 4.546 ( 0.000 1.303 0.000) 1.303 4.633 ( 0.000 -2.359 0.000) 2.359 4.680 ( 0.000 -1.804 0.000) 1.804 4.739 ( 0.000 -3.590 0.000) 3.590 4.806 ( 0.000 -1.950 0.000) 1.950 4.910 ( 0.000 2.476 0.000) 2.476 4.925 ( 0.000 0.346 0.000) 0.346 5.064 ( 0.000 -5.139 0.000) 5.139 5.109 ( 0.000 1.868 0.000) 1.868 5.179 ( 0.000 0.110 0.000) 0.110 5.221 ( 0.000 -7.068 0.000) 7.068 5.240 ( 0.000 -0.441 0.000) 0.441 5.515 ( 0.000 -9.543 0.000) 9.543 5.530 ( 0.000 1.422 0.000) 1.422 5.683 ( 0.000 5.778 0.000) 5.778 5.734 ( 0.000 -1.242 0.000) 1.242 5.837 ( 0.000 4.287 0.000) 4.287 5.854 ( 0.000 5.094 0.000) 5.094 5.884 ( 0.000 -3.187 0.000) 3.187 6.161 ( 0.000 -3.265 0.000) 3.265 6.223 ( 0.000 2.285 0.000) 2.285 6.303 ( 0.000 -3.099 0.000) 3.099 6.384 ( 0.000 3.570 0.000) 3.570 6.449 ( 0.000 -3.633 0.000) 3.633 6.557 ( 0.000 -5.891 0.000) 5.891 6.715 ( 0.000 -2.898 0.000) 2.898 6.818 ( 0.000 -1.372 0.000) 1.372 6.989 ( 0.000 -4.455 0.000) 4.455 7.136 ( 0.000 1.581 0.000) 1.581 7.205 ( 0.000 0.712 0.000) 0.712 7.518 ( 0.000 -0.998 0.000) 0.998 7.731 ( 0.000 1.863 0.000) 1.863 7.893 ( 0.000 -1.568 0.000) 1.568 7.913 ( 0.000 -2.518 0.000) 2.518 8.067 ( 0.000 -0.155 0.000) 0.155 8.070 ( 0.000 -2.049 0.000) 2.049 8.221 ( 0.000 -1.894 0.000) 1.894 8.293 ( 0.000 0.136 0.000) 0.136 8.329 ( 0.000 1.210 0.000) 1.210 8.415 ( 0.000 0.994 0.000) 0.994 8.459 ( 0.000 -5.316 0.000) 5.316 8.492 ( 0.000 -5.804 0.000) 5.804 8.556 ( 0.000 -3.498 0.000) 3.498 8.746 ( 0.000 4.977 0.000) 4.977 8.844 ( 0.000 0.892 0.000) 0.892 8.931 ( 0.000 9.199 0.000) 9.199 8.938 ( 0.000 -3.355 0.000) 3.355 9.189 ( 0.000 -2.122 0.000) 2.122 9.248 ( 0.000 5.528 0.000) 5.528 9.333 ( 0.000 -1.580 0.000) 1.580 9.356 ( 0.000 -1.719 0.000) 1.719 9.529 ( 0.000 -0.636 0.000) 0.636 9.842 ( 0.000 7.259 0.000) 7.259 9.868 ( 0.000 4.325 0.000) 4.325 9.896 ( 0.000 5.486 0.000) 5.486 10.194 ( 0.000 -4.613 0.000) 4.613 10.468 ( 0.000 -1.488 0.000) 1.488 11.010 ( 0.000 -1.489 0.000) 1.489 11.281 ( 0.000 1.274 0.000) 1.274 11.414 ( 0.000 1.090 0.000) 1.090 11.448 ( 0.000 -8.545 0.000) 8.545 11.725 ( 0.000 2.640 0.000) 2.640 11.825 ( 0.000 1.010 0.000) 1.010 11.837 ( 0.000 -2.213 0.000) 2.213 12.037 ( 0.000 1.705 0.000) 1.705 12.091 ( 0.000 3.066 0.000) 3.066 12.195 ( 0.000 -1.797 0.000) 1.797 12.207 ( 0.000 2.236 0.000) 2.236 12.307 ( 0.000 -1.800 0.000) 1.800 12.317 ( 0.000 1.086 0.000) 1.086 12.606 ( 0.000 1.381 0.000) 1.381 12.751 ( 0.000 -7.315 0.000) 7.315 12.925 ( 0.000 1.682 0.000) 1.682 12.975 ( 0.000 -1.693 0.000) 1.693 13.325 ( 0.000 0.774 0.000) 0.774 13.330 ( 0.000 -10.808 0.000) 10.808 13.439 ( 0.000 -1.125 0.000) 1.125 13.501 ( 0.000 -6.192 0.000) 6.192 13.504 ( 0.000 -0.460 0.000) 0.460 13.674 ( 0.000 5.524 0.000) 5.524 13.754 ( 0.000 1.081 0.000) 1.081 13.958 ( 0.000 -2.487 0.000) 2.487 14.032 ( 0.000 11.178 0.000) 11.178 14.311 ( 0.000 -5.219 0.000) 5.219 14.629 ( 0.000 3.355 0.000) 3.355 14.656 ( 0.000 -0.502 0.000) 0.502 14.758 ( 0.000 0.200 0.000) 0.200 14.985 ( 0.000 -1.364 0.000) 1.364 15.271 ( 0.000 -6.624 0.000) 6.624 15.707 ( 0.000 0.529 0.000) 0.529 15.791 ( 0.000 9.071 0.000) 9.071 16.497 ( 0.000 0.750 0.000) 0.750 16.527 ( 0.000 -1.889 0.000) 1.889 17.330 ( 0.000 0.323 0.000) 0.323 18.110 ( 0.000 -5.165 0.000) 5.165 18.254 ( 0.000 2.202 0.000) 2.202 20.549 ( 0.000 -1.381 0.000) 1.381 20.776 ( 0.000 -4.729 0.000) 4.729 21.079 ( 0.000 -1.282 0.000) 1.282 21.211 ( 0.000 4.309 0.000) 4.309 21.261 ( 0.000 0.805 0.000) 0.805 21.324 ( 0.000 8.182 0.000) 8.182 21.489 ( 0.000 1.048 0.000) 1.048 21.840 ( 0.000 -1.455 0.000) 1.455 21.866 ( 0.000 -0.167 0.000) 0.167 22.100 ( 0.000 -0.863 0.000) 0.863 22.209 ( 0.000 -1.761 0.000) 1.761 22.368 ( 0.000 -2.784 0.000) 2.784 22.696 ( 0.000 1.836 0.000) 1.836 22.714 ( 0.000 -1.833 0.000) 1.833 22.956 ( 0.000 -2.687 0.000) 2.687 23.012 ( 0.000 -4.112 0.000) 4.112 23.126 ( 0.000 5.381 0.000) 5.381 23.285 ( 0.000 4.299 0.000) 4.299 23.368 ( 0.000 -1.819 0.000) 1.819 23.480 ( 0.000 0.643 0.000) 0.643 23.586 ( 0.000 -2.288 0.000) 2.288 23.613 ( 0.000 1.906 0.000) 1.906 23.892 ( 0.000 -3.103 0.000) 3.103 24.049 ( 0.000 -2.542 0.000) 2.542 24.090 ( 0.000 4.684 0.000) 4.684 24.245 ( 0.000 0.327 0.000) 0.327 24.322 ( 0.000 -0.406 0.000) 0.406 24.597 ( 0.000 10.833 0.000) 10.833 25.532 ( 0.000 -0.034 0.000) 0.034 25.647 ( 0.000 -0.988 0.000) 0.988 ======================= Grid point 6 (5/52) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 19.853 14.794 3.262) 24.973 0.900 ( 18.371 18.296 18.209) 31.683 1.460 ( 25.936 34.100 7.995) 43.582 1.575 ( -4.899 30.322 1.151) 30.737 1.902 ( -0.292 16.267 -4.760) 16.952 1.983 ( -4.408 7.320 2.117) 8.804 2.043 ( -2.077 5.581 5.126) 7.857 2.193 ( 3.288 6.404 -7.285) 10.242 2.239 ( -0.345 5.659 7.170) 9.140 2.310 ( 0.816 0.514 4.167) 4.277 2.444 ( 0.815 2.357 1.852) 3.106 2.474 ( -1.522 4.836 -0.891) 5.147 2.500 ( -1.872 0.913 -2.491) 3.247 2.611 ( 0.136 5.453 -2.817) 6.139 2.726 ( -6.018 6.229 3.872) 9.487 2.749 ( 2.008 0.948 4.358) 4.891 2.863 ( 4.043 4.061 1.255) 5.866 2.971 ( 1.418 -3.782 -4.732) 6.221 3.091 ( 1.661 -5.437 1.901) 5.994 3.137 ( -3.588 -4.070 -2.160) 5.840 3.226 ( 1.449 3.428 4.949) 6.192 3.254 ( 0.341 2.334 1.563) 2.830 3.360 ( 4.592 4.261 -0.276) 6.270 3.457 ( 0.598 -0.950 -0.054) 1.123 3.522 ( -3.009 -1.217 -2.528) 4.114 3.539 ( 1.825 0.795 0.180) 1.998 3.600 ( -3.625 -0.958 -0.000) 3.750 3.676 ( -0.114 3.687 -2.921) 4.705 3.722 ( -4.633 6.533 1.816) 8.212 3.866 ( 3.535 1.345 0.524) 3.818 3.910 ( -1.382 5.568 -1.546) 5.942 3.992 ( 2.283 9.213 0.241) 9.495 4.029 ( 5.085 4.078 0.185) 6.521 4.191 ( -6.374 2.685 0.856) 6.969 4.312 ( -1.769 6.272 -2.307) 6.913 4.352 ( -5.150 1.563 -0.639) 5.420 4.532 ( -2.344 1.098 -0.185) 2.595 4.607 ( -2.678 -2.624 0.685) 3.811 4.680 ( -4.805 -3.747 -1.327) 6.236 4.766 ( 0.096 0.124 1.122) 1.133 4.804 ( 0.697 -0.798 -0.969) 1.435 4.886 ( 5.139 -1.532 2.287) 5.830 5.012 ( -2.006 -1.977 -2.048) 3.482 5.039 ( -2.852 -0.665 -1.611) 3.342 5.130 ( 7.494 -3.847 2.383) 8.754 5.167 ( 1.315 -4.238 0.241) 4.444 5.180 ( 0.879 -1.504 -1.891) 2.572 5.336 ( 0.009 -6.871 0.461) 6.887 5.488 ( 2.297 -1.606 -0.312) 2.820 5.572 ( 0.683 1.343 -3.499) 3.810 5.658 ( -0.837 -1.068 0.922) 1.641 5.741 ( 0.394 5.105 0.254) 5.126 5.761 ( -2.351 -0.327 -6.147) 6.590 5.843 ( -0.364 3.559 -0.929) 3.696 5.864 ( -2.695 2.268 2.611) 4.385 6.113 ( -3.028 -4.557 -3.788) 6.655 6.225 ( -4.494 -2.480 -2.493) 5.706 6.319 ( -1.281 -3.908 -0.686) 4.169 6.402 ( 3.363 -0.301 2.282) 4.075 6.483 ( 0.998 -3.745 5.052) 6.367 6.545 ( 0.454 -1.235 0.312) 1.352 6.721 ( 0.017 -2.804 2.050) 3.473 6.830 ( -0.306 -2.489 2.366) 3.447 7.096 ( 0.759 0.137 0.107) 0.779 7.134 ( 2.829 -5.923 0.475) 6.581 7.175 ( 2.313 0.175 -1.864) 2.976 7.553 ( 2.891 -0.085 1.104) 3.096 7.755 ( 1.806 0.566 -0.860) 2.078 7.840 ( -3.350 -0.024 0.315) 3.365 7.895 ( -1.805 -5.108 -0.165) 5.420 8.053 ( 0.630 1.495 0.314) 1.653 8.099 ( 0.483 -0.962 2.153) 2.408 8.219 ( 0.176 -3.001 -2.464) 3.887 8.295 ( 0.520 -2.323 1.961) 3.084 8.339 ( -1.989 -1.815 3.366) 4.310 8.391 ( -1.102 -4.146 -0.997) 4.404 8.450 ( -2.289 -0.245 5.487) 5.951 8.490 ( -2.764 -6.029 2.637) 7.138 8.541 ( 0.554 -0.003 -0.637) 0.845 8.761 ( 2.882 5.514 -3.399) 7.090 8.778 ( -5.046 1.470 -0.765) 5.311 8.912 ( -2.006 8.975 0.469) 9.208 8.976 ( 2.805 -2.260 -1.153) 3.783 9.169 ( -2.938 0.244 3.002) 4.208 9.272 ( -1.138 9.436 1.900) 9.693 9.358 ( -0.165 -0.037 0.372) 0.408 9.386 ( 5.281 -3.452 1.281) 6.438 9.504 ( 0.453 -1.110 -3.894) 4.075 9.799 ( -0.585 7.784 -0.534) 7.824 9.854 ( 1.402 -1.678 -2.363) 3.219 10.031 ( 4.903 9.557 3.231) 11.217 10.233 ( 3.822 -4.432 -1.492) 6.039 10.435 ( -3.262 -0.330 -2.054) 3.869 10.773 ( -16.423 16.599 -8.229) 24.758 11.055 ( -5.623 -1.150 7.880) 9.749 11.405 ( 1.382 1.827 -4.115) 4.709 11.528 ( 2.361 -3.193 -2.556) 4.723 11.736 ( -0.083 1.097 1.854) 2.156 11.827 ( 0.041 1.161 0.760) 1.388 11.851 ( 0.833 -1.537 -0.183) 1.758 11.994 ( -2.620 0.188 5.692) 6.269 12.108 ( 0.785 -0.584 -6.523) 6.596 12.158 ( 0.139 0.202 -5.038) 5.044 12.238 ( 3.095 -2.160 -0.070) 3.775 12.318 ( 2.116 0.543 3.856) 4.432 12.459 ( -0.113 -0.154 2.989) 2.995 12.698 ( -1.631 -4.434 -3.218) 5.716 12.731 ( 3.764 -8.918 6.246) 11.520 12.941 ( 2.130 2.584 0.959) 3.483 12.966 ( -3.088 -1.079 3.442) 4.748 13.111 ( -4.268 -6.311 -4.369) 8.782 13.388 ( -1.061 -2.286 6.052) 6.556 13.447 ( -3.597 -4.326 -2.749) 6.262 13.499 ( -1.399 -0.468 1.418) 2.046 13.634 ( 6.649 -6.422 -0.634) 9.266 13.671 ( 0.732 0.270 4.400) 4.469 13.833 ( 5.217 1.561 4.126) 6.832 13.915 ( -2.872 -1.739 -1.086) 3.529 14.119 ( 1.273 1.804 4.697) 5.190 14.230 ( -0.290 1.595 -3.309) 3.684 14.460 ( -13.696 -0.718 1.803) 13.833 14.585 ( -2.862 3.100 -1.225) 4.393 14.854 ( 9.604 -2.680 7.456) 12.451 15.025 ( -3.382 -3.906 -2.171) 5.604 15.414 ( 7.915 3.847 6.702) 11.062 15.647 ( -5.454 0.137 0.086) 5.456 15.794 ( 0.534 10.038 -1.688) 10.193 16.303 ( -7.731 4.755 0.704) 9.103 16.879 ( 23.940 -15.255 -16.831) 33.002 17.390 ( 4.472 -0.484 2.788) 5.293 17.878 ( -11.267 3.659 -9.712) 15.318 18.255 ( 0.289 2.170 0.149) 2.194 20.699 ( -0.732 -5.850 2.300) 6.329 20.733 ( 0.633 -9.361 6.231) 11.263 21.121 ( 2.772 -2.382 1.205) 3.848 21.208 ( -0.614 4.720 0.725) 4.815 21.263 ( 0.803 2.134 0.719) 2.390 21.433 ( 6.251 4.060 2.680) 7.921 21.536 ( 5.120 -0.057 0.776) 5.178 21.824 ( -2.172 0.754 -4.132) 4.729 21.849 ( 1.725 -1.609 -0.699) 2.461 22.106 ( 0.075 -0.961 0.380) 1.036 22.250 ( 0.712 -1.271 6.415) 6.578 22.323 ( -6.175 -0.507 0.731) 6.238 22.505 ( -14.563 8.153 -2.736) 16.913 22.642 ( -2.410 -0.558 -4.692) 5.304 22.816 ( 2.668 0.451 2.311) 3.559 23.094 ( -2.787 9.076 0.280) 9.498 23.178 ( 3.433 3.377 3.450) 5.924 23.241 ( -3.832 2.232 -3.331) 5.546 23.421 ( 1.718 -0.364 0.029) 1.756 23.456 ( 1.592 -0.329 2.101) 2.657 23.557 ( -1.482 -1.636 -3.834) 4.424 23.609 ( 0.672 0.376 1.007) 1.268 23.882 ( -1.557 0.921 0.145) 1.815 23.962 ( 0.303 -7.391 -2.684) 7.869 24.237 ( 0.012 0.301 0.297) 0.423 24.274 ( 3.921 -0.880 -0.764) 4.090 24.363 ( 7.178 -1.791 -6.308) 9.722 24.546 ( -0.257 9.999 -8.702) 13.258 25.582 ( 0.864 -3.316 4.875) 5.959 25.650 ( 0.116 -0.972 0.586) 1.140 ======================= Grid point 7 (6/52) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 12.235 15.633 1.559) 19.913 1.331 ( 14.608 16.143 11.334) 24.545 1.516 ( 2.894 17.042 1.451) 17.347 1.678 ( -9.266 16.582 -5.044) 19.653 1.801 ( -11.741 12.654 -4.621) 17.870 2.064 ( 0.584 6.956 3.797) 7.947 2.154 ( 15.639 16.348 8.887) 24.307 2.210 ( 6.013 0.722 -4.228) 7.386 2.286 ( -0.421 6.095 6.248) 8.738 2.389 ( 6.026 5.311 4.829) 9.372 2.416 ( 1.065 2.359 3.583) 4.420 2.445 ( 0.994 6.199 -3.761) 7.319 2.557 ( 2.751 5.317 -1.147) 6.096 2.576 ( -0.877 6.247 -1.572) 6.501 2.642 ( -5.589 9.398 4.757) 11.924 2.846 ( 1.896 1.517 3.630) 4.367 2.893 ( -9.859 -1.468 -11.020) 14.859 2.951 ( 4.065 1.021 1.894) 4.599 3.014 ( -1.129 0.683 -3.847) 4.067 3.074 ( -5.626 -1.699 -0.001) 5.877 3.231 ( -1.769 -1.836 4.219) 4.930 3.304 ( 0.086 3.282 5.490) 6.397 3.349 ( -0.963 2.303 -7.712) 8.106 3.433 ( -2.041 4.996 -1.110) 5.509 3.510 ( 2.403 2.071 0.120) 3.175 3.581 ( 4.680 -2.490 1.015) 5.398 3.636 ( 0.527 1.736 1.428) 2.309 3.667 ( 2.692 1.911 2.476) 4.126 3.738 ( 3.212 -0.581 0.951) 3.400 3.816 ( -4.731 -0.537 -1.036) 4.873 3.899 ( 0.513 5.077 -1.474) 5.312 3.993 ( -0.055 8.188 -3.007) 8.723 4.059 ( -7.345 2.312 -1.170) 7.788 4.116 ( 0.205 5.574 0.116) 5.579 4.208 ( -1.930 0.092 0.720) 2.062 4.370 ( 3.176 3.696 0.742) 4.929 4.504 ( -0.338 1.771 -1.870) 2.598 4.534 ( -5.117 3.709 1.618) 6.524 4.679 ( 5.443 -1.239 0.602) 5.615 4.720 ( -2.883 1.729 -0.070) 3.363 4.821 ( -2.305 -0.038 -1.273) 2.633 4.933 ( 0.086 0.112 -2.408) 2.412 4.955 ( 0.382 -4.807 5.555) 7.356 5.034 ( 0.099 -3.922 -4.392) 5.889 5.150 ( 1.235 -3.303 -0.549) 3.569 5.214 ( 0.435 -9.494 2.769) 9.899 5.259 ( -3.846 -10.309 -2.884) 11.374 5.343 ( 9.168 -0.995 3.748) 9.954 5.505 ( -0.748 0.997 -3.860) 4.056 5.516 ( -4.672 1.291 -1.088) 4.967 5.646 ( 1.770 -1.077 -2.827) 3.505 5.720 ( 1.442 3.368 -2.738) 4.574 5.757 ( -1.438 5.229 1.741) 5.696 5.838 ( -1.529 3.291 0.704) 3.697 5.874 ( 4.248 -2.493 2.648) 5.593 6.013 ( -5.427 -5.400 -2.799) 8.152 6.159 ( -0.492 -2.177 -0.250) 2.246 6.226 ( -3.770 -3.017 -2.174) 5.295 6.475 ( 2.074 -0.347 0.401) 2.140 6.520 ( -0.485 -5.138 2.422) 5.701 6.581 ( 1.988 2.082 0.864) 3.006 6.722 ( -1.113 -3.755 0.602) 3.962 6.826 ( -0.753 0.458 0.085) 0.886 7.033 ( -2.012 0.401 0.160) 2.058 7.188 ( 0.859 2.630 0.294) 2.782 7.269 ( 4.260 -13.373 -0.171) 14.036 7.627 ( 3.636 1.298 1.170) 4.034 7.739 ( -2.230 -1.511 -1.492) 3.079 7.813 ( -0.982 0.409 0.720) 1.285 7.866 ( -0.722 -5.067 0.403) 5.134 8.080 ( 1.726 -0.078 -1.196) 2.101 8.124 ( 0.083 -2.585 3.200) 4.115 8.187 ( -1.096 -4.341 -1.452) 4.706 8.282 ( -2.097 -6.747 0.406) 7.077 8.358 ( 0.410 -0.909 4.749) 4.853 8.381 ( 0.793 -2.318 -2.542) 3.531 8.440 ( -1.201 -1.444 0.265) 1.896 8.465 ( -1.261 -2.839 2.282) 3.854 8.583 ( 3.997 1.862 0.262) 4.417 8.677 ( -4.903 1.795 -1.461) 5.422 8.783 ( 1.292 7.032 -1.816) 7.377 8.880 ( -1.339 9.063 0.597) 9.181 8.994 ( 0.451 -2.495 -1.439) 2.915 9.146 ( -1.200 3.656 1.476) 4.121 9.249 ( -1.443 13.000 1.073) 13.124 9.363 ( 0.029 -1.182 0.884) 1.476 9.475 ( 2.440 -2.631 1.182) 3.777 9.508 ( 1.345 -1.871 -1.607) 2.809 9.796 ( 0.088 9.179 -0.437) 9.189 9.862 ( 0.931 -6.481 -1.649) 6.752 10.125 ( 3.471 13.592 3.702) 14.508 10.239 ( -2.847 9.101 -4.370) 10.490 10.337 ( -2.532 -5.532 -0.701) 6.125 10.598 ( -2.121 5.111 -0.071) 5.535 11.031 ( -1.312 -2.252 1.679) 3.100 11.402 ( 0.500 3.974 -1.371) 4.234 11.540 ( 0.554 -2.490 -0.648) 2.632 11.739 ( -0.553 -0.837 1.069) 1.466 11.828 ( -0.310 2.093 0.273) 2.134 11.863 ( 0.457 0.065 -0.096) 0.472 12.019 ( -0.180 -1.491 6.725) 6.890 12.068 ( 0.568 -1.924 -6.976) 7.259 12.131 ( -0.007 -1.489 -2.469) 2.883 12.303 ( 3.445 -0.536 -0.227) 3.494 12.373 ( -0.062 0.406 1.618) 1.670 12.451 ( -0.069 -0.057 2.616) 2.618 12.582 ( -4.805 -2.126 -3.439) 6.279 12.815 ( 2.870 -1.379 -1.772) 3.644 12.903 ( -4.738 -5.394 4.196) 8.316 13.009 ( 3.008 4.426 0.096) 5.352 13.109 ( 2.123 -11.355 1.881) 11.704 13.322 ( -5.448 0.375 -2.571) 6.036 13.421 ( 0.173 -4.472 2.900) 5.332 13.490 ( -0.209 -3.853 0.339) 3.873 13.655 ( 0.671 1.287 -2.364) 2.774 13.750 ( 3.240 -4.046 0.819) 5.247 13.841 ( -3.311 -2.089 -1.441) 4.172 14.009 ( 5.498 -5.410 12.246) 14.473 14.081 ( -1.066 -1.156 -2.649) 3.080 14.242 ( -4.532 1.997 -5.710) 7.559 14.306 ( -1.888 1.983 1.830) 3.293 14.596 ( 4.885 4.378 0.407) 6.573 14.850 ( -7.572 -8.166 -1.518) 11.239 15.125 ( 9.151 -3.130 3.877) 10.419 15.451 ( -5.582 1.928 -2.707) 6.497 15.654 ( 3.096 12.957 9.958) 16.632 15.770 ( -0.187 10.658 -6.832) 12.661 16.191 ( -3.815 1.618 -0.468) 4.170 17.092 ( 8.666 -11.993 -7.323) 16.510 17.492 ( 2.993 -1.892 3.288) 4.832 17.683 ( -4.674 -0.345 -3.509) 5.854 18.262 ( 0.233 1.970 0.041) 1.984 20.629 ( -2.545 -1.567 -0.202) 2.996 20.802 ( 0.570 -11.288 2.346) 11.543 21.162 ( 0.949 -2.176 0.132) 2.378 21.206 ( -0.208 3.826 0.639) 3.884 21.285 ( 0.831 2.639 0.083) 2.768 21.522 ( 1.563 4.684 3.001) 5.778 21.636 ( 2.830 -1.393 0.658) 3.222 21.752 ( -1.678 2.257 -3.351) 4.375 21.917 ( 5.834 -0.995 -0.533) 5.942 22.065 ( -5.373 0.542 -0.885) 5.472 22.197 ( -4.123 1.061 4.804) 6.419 22.290 ( -0.906 2.124 0.916) 2.484 22.393 ( 0.600 3.039 -1.722) 3.544 22.595 ( -0.428 -6.917 -1.922) 7.192 22.879 ( 2.153 -1.922 1.023) 3.062 23.031 ( -3.133 11.959 0.117) 12.363 23.149 ( -1.324 3.115 -3.121) 4.604 23.266 ( 1.516 7.645 3.844) 8.691 23.436 ( 0.482 -1.247 2.322) 2.679 23.489 ( -1.431 -2.144 -5.833) 6.377 23.508 ( 0.777 -0.444 1.259) 1.545 23.643 ( 1.396 0.325 0.798) 1.641 23.852 ( -1.214 1.432 0.041) 1.878 23.964 ( 0.609 -9.020 -0.853) 9.081 24.233 ( -0.087 0.546 -0.278) 0.618 24.299 ( 0.356 0.983 0.058) 1.047 24.427 ( 2.632 -0.926 -2.441) 3.707 24.496 ( -0.019 7.203 -3.488) 8.003 25.611 ( 0.053 -3.272 1.438) 3.575 25.657 ( 0.084 -0.966 0.485) 1.084 ======================= Grid point 10 (7/52) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.000 22.813 0.000) 22.813 1.102 ( 0.000 24.353 0.000) 24.353 1.977 ( 0.000 -2.873 0.000) 2.873 2.054 ( 0.000 26.350 0.000) 26.350 2.121 ( 0.000 -2.845 0.000) 2.845 2.150 ( 0.000 9.879 0.000) 9.879 2.207 ( 0.000 8.564 0.000) 8.564 2.316 ( 0.000 6.493 0.000) 6.493 2.362 ( 0.000 17.869 0.000) 17.869 2.455 ( 0.000 1.802 0.000) 1.802 2.455 ( 0.000 11.638 0.000) 11.638 2.604 ( 0.000 4.180 0.000) 4.180 2.641 ( 0.000 12.382 0.000) 12.382 2.694 ( 0.000 2.238 0.000) 2.238 2.823 ( 0.000 1.888 0.000) 1.888 2.829 ( 0.000 -1.884 0.000) 1.884 2.864 ( 0.000 5.242 0.000) 5.242 2.934 ( 0.000 3.531 0.000) 3.531 3.005 ( 0.000 0.088 0.000) 0.088 3.196 ( 0.000 2.993 0.000) 2.993 3.198 ( 0.000 -3.745 0.000) 3.745 3.235 ( 0.000 4.192 0.000) 4.192 3.298 ( 0.000 -4.974 0.000) 4.974 3.511 ( 0.000 4.980 0.000) 4.980 3.555 ( 0.000 -0.304 0.000) 0.304 3.574 ( 0.000 0.696 0.000) 0.696 3.704 ( 0.000 2.893 0.000) 2.893 3.751 ( 0.000 4.740 0.000) 4.740 3.871 ( 0.000 12.194 0.000) 12.194 4.021 ( 0.000 2.179 0.000) 2.179 4.040 ( 0.000 10.210 0.000) 10.210 4.074 ( 0.000 3.766 0.000) 3.766 4.150 ( 0.000 7.186 0.000) 7.186 4.288 ( 0.000 1.117 0.000) 1.117 4.440 ( 0.000 -1.899 0.000) 1.899 4.461 ( 0.000 5.358 0.000) 5.358 4.556 ( 0.000 -0.362 0.000) 0.362 4.632 ( 0.000 -5.564 0.000) 5.564 4.657 ( 0.000 1.567 0.000) 1.567 4.711 ( 0.000 -5.000 0.000) 5.000 4.751 ( 0.000 11.038 0.000) 11.038 4.859 ( 0.000 -7.210 0.000) 7.210 4.929 ( 0.000 -2.581 0.000) 2.581 5.007 ( 0.000 0.694 0.000) 0.694 5.108 ( 0.000 1.496 0.000) 1.496 5.124 ( 0.000 -4.328 0.000) 4.328 5.225 ( 0.000 -1.114 0.000) 1.114 5.248 ( 0.000 5.798 0.000) 5.798 5.361 ( 0.000 -3.506 0.000) 3.506 5.511 ( 0.000 -2.950 0.000) 2.950 5.727 ( 0.000 -1.751 0.000) 1.751 5.742 ( 0.000 2.942 0.000) 2.942 5.883 ( 0.000 4.115 0.000) 4.115 5.931 ( 0.000 1.825 0.000) 1.825 5.945 ( 0.000 4.582 0.000) 4.582 6.114 ( 0.000 -1.456 0.000) 1.456 6.218 ( 0.000 -3.370 0.000) 3.370 6.281 ( 0.000 1.446 0.000) 1.446 6.368 ( 0.000 -3.623 0.000) 3.623 6.400 ( 0.000 -5.161 0.000) 5.161 6.409 ( 0.000 -4.605 0.000) 4.605 6.640 ( 0.000 -3.783 0.000) 3.783 6.783 ( 0.000 -1.301 0.000) 1.301 6.910 ( 0.000 -3.137 0.000) 3.137 7.149 ( 0.000 -5.989 0.000) 5.989 7.154 ( 0.000 0.125 0.000) 0.125 7.506 ( 0.000 -0.143 0.000) 0.143 7.735 ( 0.000 -1.040 0.000) 1.040 7.830 ( 0.000 -4.888 0.000) 4.888 7.832 ( 0.000 -3.603 0.000) 3.603 7.986 ( 0.000 -5.683 0.000) 5.683 8.073 ( 0.000 -0.287 0.000) 0.287 8.235 ( 0.000 2.658 0.000) 2.658 8.257 ( 0.000 -11.502 0.000) 11.502 8.305 ( 0.000 0.837 0.000) 0.837 8.331 ( 0.000 -1.767 0.000) 1.767 8.370 ( 0.000 -1.511 0.000) 1.511 8.428 ( 0.000 -0.987 0.000) 0.987 8.551 ( 0.000 1.450 0.000) 1.450 8.749 ( 0.000 -5.157 0.000) 5.157 8.842 ( 0.000 -5.321 0.000) 5.321 8.908 ( 0.000 5.871 0.000) 5.871 9.126 ( 0.000 6.975 0.000) 6.975 9.134 ( 0.000 -1.875 0.000) 1.875 9.274 ( 0.000 -1.127 0.000) 1.127 9.290 ( 0.000 -3.294 0.000) 3.294 9.459 ( 0.000 10.118 0.000) 10.118 9.599 ( 0.000 5.417 0.000) 5.417 9.859 ( 0.000 -0.050 0.000) 0.050 9.997 ( 0.000 1.786 0.000) 1.786 10.125 ( 0.000 -0.226 0.000) 0.226 10.127 ( 0.000 13.858 0.000) 13.858 10.475 ( 0.000 2.945 0.000) 2.945 10.979 ( 0.000 -1.272 0.000) 1.272 11.214 ( 0.000 -13.061 0.000) 13.061 11.281 ( 0.000 -1.035 0.000) 1.035 11.440 ( 0.000 1.326 0.000) 1.326 11.755 ( 0.000 -0.449 0.000) 0.449 11.800 ( 0.000 -1.417 0.000) 1.417 11.885 ( 0.000 4.910 0.000) 4.910 12.072 ( 0.000 1.381 0.000) 1.381 12.147 ( 0.000 2.343 0.000) 2.343 12.152 ( 0.000 -1.313 0.000) 1.313 12.282 ( 0.000 -0.657 0.000) 0.657 12.283 ( 0.000 3.231 0.000) 3.231 12.349 ( 0.000 3.153 0.000) 3.153 12.542 ( 0.000 -6.283 0.000) 6.283 12.691 ( 0.000 0.726 0.000) 0.726 12.913 ( 0.000 -4.253 0.000) 4.253 12.965 ( 0.000 1.955 0.000) 1.955 13.147 ( 0.000 -6.150 0.000) 6.150 13.341 ( 0.000 0.597 0.000) 0.597 13.392 ( 0.000 -3.646 0.000) 3.646 13.406 ( 0.000 -1.826 0.000) 1.826 13.498 ( 0.000 0.158 0.000) 0.158 13.710 ( 0.000 -3.895 0.000) 3.895 13.760 ( 0.000 -0.255 0.000) 0.255 13.916 ( 0.000 0.131 0.000) 0.131 14.216 ( 0.000 -3.482 0.000) 3.482 14.227 ( 0.000 6.799 0.000) 6.799 14.616 ( 0.000 -3.210 0.000) 3.210 14.676 ( 0.000 0.973 0.000) 0.973 14.743 ( 0.000 -1.135 0.000) 1.135 15.025 ( 0.000 5.060 0.000) 5.060 15.172 ( 0.000 -2.789 0.000) 2.789 15.693 ( 0.000 -1.934 0.000) 1.934 15.986 ( 0.000 9.175 0.000) 9.175 16.460 ( 0.000 -4.552 0.000) 4.552 16.522 ( 0.000 1.537 0.000) 1.537 17.336 ( 0.000 0.233 0.000) 0.233 17.985 ( 0.000 -5.935 0.000) 5.935 18.305 ( 0.000 2.361 0.000) 2.361 20.515 ( 0.000 -1.690 0.000) 1.690 20.685 ( 0.000 -3.472 0.000) 3.472 21.066 ( 0.000 -0.173 0.000) 0.173 21.261 ( 0.000 0.662 0.000) 0.662 21.323 ( 0.000 4.420 0.000) 4.420 21.501 ( 0.000 7.662 0.000) 7.662 21.521 ( 0.000 1.847 0.000) 1.847 21.804 ( 0.000 -1.813 0.000) 1.813 21.864 ( 0.000 0.272 0.000) 0.272 22.079 ( 0.000 -1.003 0.000) 1.003 22.161 ( 0.000 -2.610 0.000) 2.610 22.303 ( 0.000 -3.032 0.000) 3.032 22.687 ( 0.000 -0.484 0.000) 0.484 22.735 ( 0.000 1.245 0.000) 1.245 22.892 ( 0.000 -3.425 0.000) 3.425 22.940 ( 0.000 -1.921 0.000) 1.921 23.222 ( 0.000 3.387 0.000) 3.387 23.329 ( 0.000 -1.589 0.000) 1.589 23.362 ( 0.000 2.733 0.000) 2.733 23.505 ( 0.000 1.772 0.000) 1.772 23.540 ( 0.000 -2.790 0.000) 2.790 23.658 ( 0.000 1.996 0.000) 1.996 23.720 ( 0.000 -7.418 0.000) 7.418 24.144 ( 0.000 5.960 0.000) 5.960 24.209 ( 0.000 5.864 0.000) 5.864 24.243 ( 0.000 -0.447 0.000) 0.447 24.313 ( 0.000 0.008 0.000) 0.008 24.800 ( 0.000 7.877 0.000) 7.877 25.532 ( 0.000 0.011 0.000) 0.011 25.623 ( 0.000 -1.177 0.000) 1.177 ======================= Grid point 11 (8/52) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 13.616 19.030 3.353) 23.638 1.308 ( 13.257 19.883 12.649) 27.038 1.958 ( -6.352 2.951 2.350) 7.387 2.030 ( -1.640 8.955 -1.425) 9.215 2.139 ( 2.222 4.521 1.677) 5.309 2.211 ( 4.391 5.677 3.586) 8.023 2.266 ( 2.192 9.258 5.539) 11.009 2.305 ( 0.427 10.224 -2.089) 10.444 2.368 ( 0.390 17.216 1.528) 17.288 2.482 ( -3.542 7.122 1.969) 8.195 2.507 ( 4.368 7.589 4.849) 10.010 2.572 ( 3.402 7.727 -0.357) 8.451 2.638 ( -0.339 9.418 -4.920) 10.631 2.702 ( 1.812 3.231 0.623) 3.756 2.788 ( -1.445 3.563 -1.221) 4.034 2.812 ( -1.879 0.886 4.171) 4.660 2.885 ( 2.028 0.504 -3.297) 3.903 2.969 ( 0.515 -0.804 1.695) 1.946 3.014 ( 2.598 1.067 -2.754) 3.933 3.130 ( -3.751 4.058 -1.028) 5.621 3.217 ( 1.422 -2.436 1.020) 3.000 3.333 ( 4.368 -0.065 7.725) 8.875 3.364 ( 2.946 1.491 5.541) 6.449 3.459 ( -2.372 -3.047 -1.006) 3.991 3.532 ( -2.637 2.821 -0.933) 3.972 3.552 ( 1.987 6.942 -0.633) 7.248 3.703 ( 3.552 5.297 -3.088) 7.086 3.814 ( -2.312 7.449 -0.589) 7.822 3.871 ( 2.166 2.628 -1.993) 3.946 3.950 ( -4.784 11.215 -5.115) 13.222 4.024 ( -2.412 4.546 -0.019) 5.146 4.127 ( 2.917 1.497 1.741) 3.713 4.161 ( 2.004 6.482 -1.593) 6.969 4.213 ( -4.991 2.297 -0.669) 5.535 4.363 ( -2.516 2.690 -1.010) 3.819 4.490 ( 0.228 4.739 2.658) 5.439 4.548 ( -6.604 -2.293 2.455) 7.409 4.571 ( -0.956 -0.350 -4.344) 4.462 4.649 ( 1.045 0.979 4.371) 4.600 4.788 ( 2.781 2.715 0.406) 3.908 4.797 ( 3.315 3.048 -2.617) 5.209 4.851 ( -1.152 -3.363 1.582) 3.891 4.920 ( -4.647 -4.157 -5.524) 8.330 4.986 ( 0.195 -2.796 9.505) 9.910 5.049 ( -1.710 -3.548 1.186) 4.113 5.125 ( -0.968 -2.714 -3.157) 4.274 5.138 ( 0.395 -0.503 -1.489) 1.621 5.278 ( -0.118 1.686 -9.529) 9.678 5.441 ( 7.608 -1.358 3.704) 8.570 5.577 ( 2.511 -1.173 -0.883) 2.909 5.642 ( -3.772 -2.622 -6.137) 7.666 5.711 ( -2.219 2.302 -0.466) 3.231 5.871 ( -3.113 1.670 -1.663) 3.904 5.901 ( 1.105 5.534 -2.767) 6.285 5.946 ( -2.064 2.844 2.196) 4.143 6.058 ( -3.305 -1.133 -3.283) 4.795 6.156 ( -4.935 -3.993 -1.427) 6.506 6.274 ( -2.466 -0.924 -2.852) 3.882 6.371 ( 2.278 -2.193 1.242) 3.397 6.428 ( -0.214 -2.849 5.740) 6.412 6.451 ( 3.128 -5.865 2.203) 7.003 6.664 ( 1.401 -3.967 1.111) 4.352 6.765 ( -1.333 -2.879 1.616) 3.560 6.960 ( 4.660 -5.619 -1.453) 7.443 7.100 ( -3.883 -4.511 -2.314) 6.386 7.200 ( 4.343 1.771 -1.660) 4.975 7.542 ( 3.182 -1.358 1.076) 3.623 7.744 ( -0.556 -1.876 0.068) 1.958 7.771 ( -1.950 -3.964 -1.128) 4.559 7.824 ( -2.085 -2.493 2.341) 4.005 8.027 ( -0.216 -5.274 3.910) 6.569 8.071 ( 0.554 -0.225 -3.284) 3.338 8.192 ( -5.046 -2.280 -2.506) 6.078 8.219 ( -0.898 -4.250 -0.223) 4.350 8.257 ( -4.202 -6.203 3.140) 8.124 8.291 ( -1.434 -2.862 2.446) 4.028 8.386 ( 3.815 0.683 -3.298) 5.089 8.495 ( 1.310 1.735 4.017) 4.568 8.527 ( -1.182 -1.355 -0.599) 1.895 8.776 ( -0.730 -1.569 3.469) 3.876 8.843 ( -0.774 -1.169 5.033) 5.224 8.959 ( 6.001 3.663 -6.661) 9.685 9.070 ( -2.152 4.288 -1.466) 5.017 9.173 ( -0.253 1.598 4.880) 5.141 9.296 ( 0.284 -2.428 5.175) 5.723 9.344 ( 5.492 -2.349 -3.450) 6.898 9.486 ( 3.442 7.859 -3.289) 9.189 9.587 ( -0.742 7.879 0.193) 7.917 9.813 ( -3.552 -1.251 -1.914) 4.224 9.979 ( 0.583 6.487 -2.638) 7.028 10.131 ( 2.585 -2.515 -0.797) 3.694 10.222 ( 3.629 8.279 5.766) 10.722 10.460 ( -0.949 3.684 -1.042) 3.945 10.947 ( -3.361 1.609 -7.765) 8.613 11.027 ( -10.032 -2.562 5.367) 11.662 11.380 ( 6.312 -5.422 -5.510) 9.980 11.482 ( 1.446 1.319 4.417) 4.832 11.744 ( -1.002 -1.662 0.941) 2.157 11.819 ( 1.108 -0.936 1.633) 2.183 11.864 ( -2.105 3.494 0.044) 4.079 12.044 ( -3.258 3.065 3.859) 5.908 12.108 ( -0.206 0.294 -3.071) 3.092 12.154 ( -5.489 1.162 -0.888) 5.680 12.219 ( 3.963 -0.440 -1.682) 4.328 12.356 ( 1.125 1.393 1.880) 2.596 12.414 ( 1.727 -1.478 3.965) 4.570 12.563 ( 1.461 -5.806 0.865) 6.049 12.691 ( 1.358 1.414 -1.218) 2.308 12.899 ( -1.154 -3.656 1.480) 4.110 13.003 ( 0.131 -2.183 -0.940) 2.380 13.048 ( -1.627 3.118 -3.934) 5.277 13.338 ( -3.192 -2.124 -1.266) 4.038 13.347 ( -0.249 -3.037 -2.218) 3.769 13.474 ( 2.923 -3.132 0.847) 4.367 13.531 ( 2.832 -2.005 4.914) 6.015 13.646 ( -3.293 -4.037 -1.491) 5.418 13.831 ( -3.422 0.722 6.906) 7.741 13.840 ( -1.514 -5.308 -1.931) 5.848 14.177 ( -2.694 2.474 0.371) 3.676 14.298 ( 4.206 1.909 1.183) 4.768 14.455 ( -7.273 1.483 -5.615) 9.307 14.652 ( -3.054 0.865 -2.389) 3.973 14.791 ( 1.960 -1.002 3.474) 4.113 14.946 ( 0.209 -2.083 -1.454) 2.549 15.461 ( 14.857 1.083 4.430) 15.541 15.628 ( -3.860 -1.992 0.558) 4.380 16.013 ( 2.562 10.272 -1.916) 10.759 16.386 ( -5.999 2.668 1.234) 6.681 16.661 ( 12.785 -7.351 -4.329) 15.370 17.377 ( 3.004 -0.656 2.026) 3.682 17.858 ( -9.467 -3.261 -5.079) 11.227 18.306 ( 0.127 2.333 0.042) 2.336 20.566 ( 2.396 -4.127 4.107) 6.296 20.647 ( -3.353 -2.691 0.115) 4.301 21.095 ( 2.516 -0.496 -0.085) 2.566 21.292 ( 2.289 1.001 0.471) 2.543 21.329 ( -0.480 5.747 2.533) 6.299 21.537 ( 4.206 4.958 -1.605) 6.697 21.552 ( 2.384 1.353 2.100) 3.454 21.808 ( 1.229 -1.550 -1.819) 2.688 21.851 ( 0.251 1.306 -2.334) 2.687 22.081 ( -0.054 -1.191 0.235) 1.215 22.175 ( -0.255 -5.486 4.036) 6.815 22.317 ( -1.026 0.354 2.028) 2.300 22.490 ( -8.958 -2.960 -6.408) 11.405 22.691 ( -7.041 1.807 -7.136) 10.187 22.827 ( 2.454 1.860 2.551) 3.999 23.165 ( 8.933 -4.013 3.790) 10.501 23.247 ( 1.242 4.218 3.584) 5.672 23.274 ( -3.224 -0.134 -1.309) 3.482 23.404 ( 1.672 0.080 2.390) 2.918 23.476 ( -0.665 1.553 -3.333) 3.736 23.552 ( 0.055 -0.669 0.221) 0.707 23.597 ( -3.755 -1.393 0.577) 4.047 23.763 ( 2.382 -4.144 0.625) 4.820 24.017 ( -7.842 6.771 2.611) 10.684 24.247 ( 0.486 -0.200 -0.265) 0.589 24.269 ( 1.346 0.231 -0.281) 1.394 24.383 ( 7.385 2.992 -3.687) 8.780 24.752 ( -2.608 8.343 -4.430) 9.800 25.544 ( 0.459 -0.815 1.373) 1.661 25.626 ( 0.213 -1.160 0.383) 1.240 ======================= Grid point 12 (9/52) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 14.579 14.769 2.666) 20.924 1.616 ( 6.312 10.863 8.155) 14.978 1.784 ( -7.507 10.871 -1.304) 13.276 2.001 ( -2.560 10.475 -0.128) 10.784 2.146 ( -4.762 3.783 -1.183) 6.195 2.215 ( -0.354 7.540 1.776) 7.755 2.254 ( 0.340 5.773 -3.414) 6.716 2.335 ( -0.952 10.767 4.186) 11.591 2.475 ( 2.355 3.997 3.361) 5.728 2.499 ( 2.400 9.186 5.120) 10.787 2.561 ( -0.049 3.643 -6.844) 7.754 2.646 ( 8.298 9.894 3.059) 13.270 2.657 ( 0.263 6.457 0.970) 6.535 2.737 ( 0.982 4.160 0.074) 4.275 2.810 ( -0.190 1.191 3.022) 3.254 2.850 ( 4.200 -0.389 3.039) 5.199 2.880 ( 0.179 1.253 -0.823) 1.509 2.951 ( -4.045 2.232 -2.440) 5.225 3.012 ( -0.235 0.372 -4.741) 4.761 3.084 ( 2.088 6.549 1.535) 7.043 3.240 ( 0.228 2.610 1.005) 2.806 3.381 ( -2.813 4.246 1.469) 5.301 3.458 ( 1.493 3.736 0.221) 4.029 3.517 ( 5.714 3.766 8.391) 10.828 3.556 ( 4.026 3.303 3.179) 6.102 3.621 ( 1.859 4.840 2.160) 5.616 3.709 ( -1.178 0.298 -4.362) 4.529 3.739 ( -3.637 2.813 -3.900) 6.029 3.795 ( -4.870 3.156 -5.118) 7.738 3.816 ( -1.610 11.608 -1.214) 11.782 4.013 ( 1.508 5.966 -3.243) 6.956 4.074 ( -5.987 -0.326 0.119) 5.997 4.147 ( 1.513 5.120 -1.851) 5.651 4.219 ( 0.457 3.097 -2.243) 3.851 4.315 ( -3.270 9.287 1.119) 9.909 4.494 ( -3.452 7.837 -0.019) 8.564 4.517 ( 1.029 -1.738 2.845) 3.489 4.549 ( 0.314 -4.124 3.013) 5.117 4.703 ( 7.941 2.480 2.172) 8.599 4.764 ( -3.605 1.887 -1.410) 4.306 4.825 ( 0.606 -2.541 2.995) 3.974 4.860 ( -1.556 1.787 0.482) 2.418 4.900 ( -2.242 -2.842 -2.052) 4.161 4.961 ( 1.255 -2.733 -2.519) 3.923 5.026 ( -1.045 -6.911 1.571) 7.164 5.050 ( -3.921 -6.660 0.579) 7.750 5.186 ( -0.952 4.962 -6.252) 8.039 5.301 ( 8.584 -2.660 2.741) 9.396 5.493 ( -0.623 -1.932 -7.428) 7.700 5.550 ( -5.178 1.418 -1.106) 5.482 5.612 ( 5.326 -2.424 2.118) 6.223 5.711 ( 2.523 -0.736 -2.151) 3.396 5.803 ( -5.456 -1.380 1.456) 5.813 5.891 ( -0.312 4.407 1.562) 4.686 5.900 ( -1.733 1.769 0.702) 2.574 5.960 ( -3.898 -0.422 -4.986) 6.343 6.121 ( 1.604 -1.721 0.675) 2.448 6.188 ( -3.307 -0.837 -1.953) 3.931 6.401 ( 0.277 -4.531 0.089) 4.540 6.463 ( 0.416 -2.026 1.936) 2.833 6.542 ( 3.073 -4.424 3.972) 6.693 6.649 ( -2.090 -3.750 -1.888) 4.690 6.801 ( 2.620 -3.817 1.023) 4.741 7.003 ( -3.169 -3.715 -1.489) 5.105 7.025 ( 1.701 -8.385 -0.129) 8.557 7.254 ( 2.064 3.555 -1.047) 4.242 7.615 ( 2.990 -4.390 0.940) 5.394 7.695 ( -1.781 -1.053 -1.404) 2.501 7.779 ( -0.158 -1.589 1.228) 2.014 7.808 ( -0.595 -1.116 1.361) 1.858 8.004 ( -1.646 -6.523 0.969) 6.797 8.030 ( -2.061 -2.646 -2.808) 4.374 8.145 ( -0.134 -1.927 0.905) 2.133 8.199 ( -1.558 -2.778 1.001) 3.339 8.240 ( -0.160 -8.946 0.275) 8.952 8.298 ( 0.186 -4.231 1.964) 4.668 8.420 ( 1.544 2.276 -1.354) 3.065 8.465 ( -1.583 -1.760 -0.395) 2.400 8.595 ( 3.589 -0.012 1.732) 3.985 8.739 ( -3.203 4.688 0.838) 5.739 8.906 ( 1.797 -0.130 5.552) 5.837 8.967 ( 0.327 3.693 -5.804) 6.887 9.039 ( -0.395 5.601 -1.384) 5.783 9.204 ( 0.244 2.608 2.944) 3.941 9.330 ( -0.136 -1.565 2.617) 3.053 9.412 ( 3.511 -2.356 -1.607) 4.523 9.497 ( -0.032 1.293 -1.874) 2.277 9.595 ( 0.575 15.067 0.952) 15.108 9.735 ( -2.200 -5.001 -2.151) 5.872 10.001 ( 2.541 8.895 -1.040) 9.309 10.169 ( 1.191 -5.323 0.283) 5.462 10.290 ( -0.628 2.929 3.157) 4.352 10.444 ( 0.694 7.049 -1.486) 7.237 10.783 ( -4.805 8.928 -2.869) 10.537 10.979 ( -1.462 -2.338 1.772) 3.278 11.445 ( 4.462 -3.893 -3.808) 7.041 11.507 ( -2.054 2.536 3.183) 4.559 11.752 ( 1.133 1.336 0.657) 1.870 11.822 ( -1.985 -2.023 -0.048) 2.835 11.849 ( 0.546 -0.220 1.417) 1.535 12.036 ( -1.113 2.752 4.141) 5.095 12.057 ( -2.270 1.392 -1.575) 3.094 12.094 ( 0.289 -1.078 -3.840) 3.999 12.281 ( 3.551 -2.305 -0.361) 4.249 12.344 ( -2.907 -3.097 0.180) 4.251 12.472 ( 1.579 2.367 5.146) 5.880 12.547 ( -1.793 -2.055 -3.291) 4.274 12.739 ( 2.778 -1.735 -0.533) 3.319 12.878 ( -4.220 0.812 4.760) 6.413 12.939 ( 1.045 -5.389 -3.553) 6.538 13.122 ( 5.451 6.019 -1.358) 8.233 13.259 ( -2.558 -4.418 -2.388) 5.636 13.340 ( -0.590 -3.688 0.758) 3.811 13.462 ( -3.997 1.217 1.880) 4.582 13.594 ( 2.279 -6.196 -0.284) 6.608 13.638 ( 0.825 -5.069 -2.587) 5.750 13.764 ( 1.218 -4.881 1.646) 5.293 13.853 ( -4.810 -7.176 6.994) 11.115 14.090 ( -3.182 1.841 -4.627) 5.910 14.349 ( 3.585 5.887 0.261) 6.897 14.433 ( -1.123 7.149 3.087) 7.867 14.567 ( 0.322 -6.914 -5.601) 8.903 14.782 ( -3.031 2.867 0.183) 4.176 15.019 ( 4.100 -6.493 2.067) 7.952 15.475 ( -3.580 0.760 -2.078) 4.209 15.796 ( 7.465 1.533 7.875) 10.958 16.033 ( 3.077 11.215 -6.870) 13.507 16.271 ( -6.368 6.003 1.843) 8.943 16.849 ( 7.844 -10.658 -2.245) 13.422 17.445 ( 1.680 -2.225 2.585) 3.802 17.659 ( -6.095 -1.453 -3.675) 7.264 18.309 ( 0.110 2.188 0.008) 2.191 20.594 ( -1.660 -1.583 -0.025) 2.294 20.621 ( 0.657 -5.813 1.883) 6.146 21.132 ( 1.235 -0.698 -0.137) 1.426 21.326 ( 0.958 1.415 0.097) 1.712 21.336 ( -0.422 7.513 1.413) 7.656 21.600 ( 2.136 2.864 0.918) 3.689 21.614 ( 1.818 -0.714 0.757) 2.095 21.798 ( -0.190 2.023 -2.481) 3.207 21.902 ( 6.057 -0.338 0.430) 6.081 22.055 ( -3.772 -1.048 -1.230) 4.103 22.197 ( -0.365 -6.391 0.932) 6.469 22.214 ( -5.367 -1.960 1.111) 5.821 22.428 ( 1.223 0.897 0.402) 1.569 22.545 ( -3.316 0.691 -4.653) 5.755 22.864 ( 0.563 1.272 0.624) 1.524 23.177 ( -2.022 2.057 -1.719) 3.358 23.302 ( 2.490 6.038 1.753) 6.762 23.343 ( 3.187 -1.683 5.265) 6.381 23.395 ( -1.944 -2.529 -1.179) 3.401 23.472 ( -0.237 2.029 -2.235) 3.028 23.509 ( -1.240 0.890 -0.454) 1.593 23.597 ( 0.958 -4.982 1.028) 5.176 23.799 ( 0.943 -2.200 0.468) 2.439 23.931 ( -2.818 5.234 0.912) 6.014 24.247 ( -0.106 0.629 -0.175) 0.661 24.286 ( 0.709 -1.287 -0.218) 1.485 24.462 ( 2.759 3.273 -1.454) 4.521 24.679 ( -1.539 8.302 -2.587) 8.831 25.559 ( 0.191 -1.580 0.654) 1.721 25.633 ( 0.152 -1.173 0.261) 1.211 ======================= Grid point 15 (10/52) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 0.000 18.352 0.000) 18.352 1.558 ( 0.000 17.392 0.000) 17.392 1.786 ( 0.000 -11.799 0.000) 11.799 1.951 ( 0.000 -11.499 0.000) 11.499 2.241 ( 0.000 4.211 0.000) 4.211 2.293 ( 0.000 2.788 0.000) 2.788 2.327 ( 0.000 0.437 0.000) 0.437 2.371 ( 0.000 0.456 0.000) 0.456 2.497 ( 0.000 1.791 0.000) 1.791 2.587 ( 0.000 3.857 0.000) 3.857 2.654 ( 0.000 0.265 0.000) 0.265 2.706 ( 0.000 -0.231 0.000) 0.231 2.782 ( 0.000 7.003 0.000) 7.003 2.836 ( 0.000 1.068 0.000) 1.068 2.877 ( 0.000 1.937 0.000) 1.937 2.923 ( 0.000 0.491 0.000) 0.491 2.976 ( 0.000 12.018 0.000) 12.018 3.032 ( 0.000 5.235 0.000) 5.235 3.048 ( 0.000 9.499 0.000) 9.499 3.159 ( 0.000 0.494 0.000) 0.494 3.206 ( 0.000 -0.871 0.000) 0.871 3.219 ( 0.000 -2.294 0.000) 2.294 3.374 ( 0.000 -10.525 0.000) 10.525 3.389 ( 0.000 6.306 0.000) 6.306 3.576 ( 0.000 0.103 0.000) 0.103 3.690 ( 0.000 4.089 0.000) 4.089 3.764 ( 0.000 2.042 0.000) 2.042 3.835 ( 0.000 1.588 0.000) 1.588 4.040 ( 0.000 0.858 0.000) 0.858 4.083 ( 0.000 5.073 0.000) 5.073 4.116 ( 0.000 0.654 0.000) 0.654 4.158 ( 0.000 3.552 0.000) 3.552 4.261 ( 0.000 -1.033 0.000) 1.033 4.297 ( 0.000 2.209 0.000) 2.209 4.447 ( 0.000 -3.876 0.000) 3.876 4.470 ( 0.000 3.896 0.000) 3.896 4.531 ( 0.000 -3.257 0.000) 3.257 4.629 ( 0.000 5.868 0.000) 5.868 4.673 ( 0.000 -1.897 0.000) 1.897 4.678 ( 0.000 0.802 0.000) 0.802 4.788 ( 0.000 1.408 0.000) 1.408 4.841 ( 0.000 -2.691 0.000) 2.691 4.908 ( 0.000 -5.522 0.000) 5.522 4.981 ( 0.000 5.467 0.000) 5.467 5.126 ( 0.000 -0.171 0.000) 0.171 5.167 ( 0.000 4.516 0.000) 4.516 5.201 ( 0.000 -0.922 0.000) 0.922 5.329 ( 0.000 -0.824 0.000) 0.824 5.357 ( 0.000 2.707 0.000) 2.707 5.463 ( 0.000 0.045 0.000) 0.045 5.686 ( 0.000 -1.527 0.000) 1.527 5.843 ( 0.000 4.720 0.000) 4.720 5.945 ( 0.000 0.293 0.000) 0.293 5.967 ( 0.000 2.478 0.000) 2.478 6.014 ( 0.000 2.023 0.000) 2.023 6.090 ( 0.000 -0.751 0.000) 0.751 6.146 ( 0.000 -2.740 0.000) 2.740 6.254 ( 0.000 -5.016 0.000) 5.016 6.292 ( 0.000 -0.791 0.000) 0.791 6.310 ( 0.000 -1.117 0.000) 1.117 6.337 ( 0.000 -3.356 0.000) 3.356 6.576 ( 0.000 -1.818 0.000) 1.818 6.771 ( 0.000 0.107 0.000) 0.107 6.849 ( 0.000 -2.619 0.000) 2.619 7.018 ( 0.000 -4.143 0.000) 4.143 7.153 ( 0.000 -0.018 0.000) 0.018 7.507 ( 0.000 -0.008 0.000) 0.008 7.718 ( 0.000 -0.198 0.000) 0.198 7.744 ( 0.000 -2.506 0.000) 2.506 7.773 ( 0.000 -1.569 0.000) 1.569 7.876 ( 0.000 -3.483 0.000) 3.483 8.035 ( 0.000 -2.055 0.000) 2.055 8.083 ( 0.000 -4.205 0.000) 4.205 8.266 ( 0.000 -3.284 0.000) 3.284 8.279 ( 0.000 1.068 0.000) 1.068 8.316 ( 0.000 0.068 0.000) 0.068 8.409 ( 0.000 -0.203 0.000) 0.203 8.424 ( 0.000 5.270 0.000) 5.270 8.612 ( 0.000 -6.673 0.000) 6.673 8.613 ( 0.000 4.031 0.000) 4.031 8.729 ( 0.000 -5.129 0.000) 5.129 9.002 ( 0.000 2.427 0.000) 2.427 9.115 ( 0.000 -0.216 0.000) 0.216 9.216 ( 0.000 1.286 0.000) 1.286 9.251 ( 0.000 0.116 0.000) 0.116 9.262 ( 0.000 -0.134 0.000) 0.134 9.640 ( 0.000 5.689 0.000) 5.689 9.683 ( 0.000 1.998 0.000) 1.998 9.855 ( 0.000 -0.305 0.000) 0.305 9.972 ( 0.000 -1.963 0.000) 1.963 10.157 ( 0.000 1.246 0.000) 1.246 10.357 ( 0.000 5.748 0.000) 5.748 10.624 ( 0.000 11.768 0.000) 11.768 10.921 ( 0.000 -14.446 0.000) 14.446 10.961 ( 0.000 -0.391 0.000) 0.391 11.261 ( 0.000 -0.495 0.000) 0.495 11.470 ( 0.000 1.215 0.000) 1.215 11.729 ( 0.000 -1.159 0.000) 1.159 11.772 ( 0.000 -1.069 0.000) 1.069 11.986 ( 0.000 3.231 0.000) 3.231 12.104 ( 0.000 2.064 0.000) 2.064 12.140 ( 0.000 -0.721 0.000) 0.721 12.189 ( 0.000 1.342 0.000) 1.342 12.271 ( 0.000 -0.457 0.000) 0.457 12.297 ( 0.000 -0.449 0.000) 0.449 12.439 ( 0.000 -2.847 0.000) 2.847 12.456 ( 0.000 4.481 0.000) 4.481 12.700 ( 0.000 0.012 0.000) 0.012 12.819 ( 0.000 -3.554 0.000) 3.554 12.999 ( 0.000 1.068 0.000) 1.068 13.067 ( 0.000 -1.722 0.000) 1.722 13.320 ( 0.000 -1.946 0.000) 1.946 13.348 ( 0.000 -0.845 0.000) 0.845 13.421 ( 0.000 3.388 0.000) 3.388 13.506 ( 0.000 0.365 0.000) 0.365 13.577 ( 0.000 -6.408 0.000) 6.408 13.754 ( 0.000 -0.239 0.000) 0.239 13.932 ( 0.000 0.443 0.000) 0.443 14.167 ( 0.000 -1.143 0.000) 1.143 14.315 ( 0.000 1.902 0.000) 1.902 14.557 ( 0.000 -1.732 0.000) 1.732 14.685 ( 0.000 0.151 0.000) 0.151 14.728 ( 0.000 -0.258 0.000) 0.258 15.132 ( 0.000 3.512 0.000) 3.512 15.139 ( 0.000 -0.625 0.000) 0.625 15.644 ( 0.000 -1.837 0.000) 1.837 16.171 ( 0.000 8.369 0.000) 8.369 16.338 ( 0.000 -6.900 0.000) 6.900 16.550 ( 0.000 0.831 0.000) 0.831 17.339 ( 0.000 0.044 0.000) 0.044 17.890 ( 0.000 -2.551 0.000) 2.551 18.342 ( 0.000 0.998 0.000) 0.998 20.488 ( 0.000 -0.728 0.000) 0.728 20.636 ( 0.000 -1.183 0.000) 1.183 21.065 ( 0.000 0.019 0.000) 0.019 21.269 ( 0.000 0.159 0.000) 0.159 21.397 ( 0.000 2.086 0.000) 2.086 21.555 ( 0.000 1.030 0.000) 1.030 21.615 ( 0.000 2.825 0.000) 2.825 21.772 ( 0.000 -0.986 0.000) 0.986 21.881 ( 0.000 0.974 0.000) 0.974 22.064 ( 0.000 -0.358 0.000) 0.358 22.114 ( 0.000 -1.458 0.000) 1.458 22.252 ( 0.000 -1.565 0.000) 1.565 22.692 ( 0.000 0.634 0.000) 0.634 22.734 ( 0.000 -0.692 0.000) 0.692 22.825 ( 0.000 -2.301 0.000) 2.301 22.942 ( 0.000 1.058 0.000) 1.058 23.267 ( 0.000 0.992 0.000) 0.992 23.306 ( 0.000 -0.587 0.000) 0.587 23.395 ( 0.000 0.477 0.000) 0.477 23.459 ( 0.000 -3.097 0.000) 3.097 23.541 ( 0.000 1.156 0.000) 1.156 23.648 ( 0.000 -0.719 0.000) 0.719 23.688 ( 0.000 0.776 0.000) 0.776 24.203 ( 0.000 -0.019 0.000) 0.019 24.267 ( 0.000 2.331 0.000) 2.331 24.304 ( 0.000 2.586 0.000) 2.586 24.316 ( 0.000 -0.024 0.000) 0.024 24.914 ( 0.000 2.789 0.000) 2.789 25.532 ( 0.000 0.025 0.000) 0.025 25.604 ( 0.000 -0.507 0.000) 0.507 ======================= Grid point 16 (11/52) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 8.723 16.112 1.785) 18.408 1.676 ( 6.398 10.972 7.168) 14.584 1.849 ( 5.540 -6.140 2.800) 8.730 2.010 ( 2.483 -7.502 2.344) 8.243 2.246 ( -1.038 4.813 3.459) 6.017 2.289 ( 0.224 2.032 5.954) 6.295 2.350 ( 0.615 1.778 1.761) 2.577 2.364 ( -0.766 -0.909 -0.289) 1.223 2.531 ( 1.666 -0.199 1.818) 2.474 2.576 ( -1.143 2.790 1.332) 3.296 2.630 ( -0.459 2.265 -0.595) 2.386 2.681 ( 0.507 -0.986 -1.980) 2.270 2.800 ( -2.517 3.160 3.566) 5.388 2.822 ( -7.042 2.062 -3.266) 8.032 2.836 ( -0.623 4.061 0.441) 4.132 2.885 ( -2.972 0.087 -0.456) 3.008 2.971 ( 4.107 6.063 -1.470) 7.469 3.011 ( -1.928 4.312 -1.560) 4.974 3.090 ( 3.065 4.560 1.140) 5.611 3.161 ( -0.491 3.356 0.396) 3.414 3.233 ( 3.281 1.367 2.768) 4.505 3.301 ( 1.352 -2.735 5.333) 6.144 3.364 ( 5.894 -0.478 5.184) 7.864 3.515 ( 7.067 6.115 1.191) 9.421 3.587 ( 0.661 2.523 -1.121) 2.839 3.654 ( 2.274 -0.034 -3.585) 4.245 3.798 ( 0.890 0.954 -6.748) 6.873 3.813 ( -0.462 0.389 -1.485) 1.603 4.032 ( -5.121 2.330 -1.432) 5.805 4.077 ( 1.517 4.479 0.791) 4.794 4.110 ( -1.699 3.009 -4.101) 5.362 4.136 ( -0.536 2.592 -0.236) 2.657 4.214 ( -3.502 0.018 -2.673) 4.405 4.294 ( 2.964 -4.907 6.411) 8.600 4.383 ( -1.599 2.992 -2.079) 3.978 4.463 ( -0.224 3.469 -0.915) 3.595 4.549 ( -0.644 -1.548 0.081) 1.678 4.645 ( -4.374 2.708 0.235) 5.149 4.686 ( -1.079 0.751 3.187) 3.448 4.754 ( 3.178 -0.582 6.382) 7.153 4.813 ( 7.840 1.689 -2.885) 8.523 4.859 ( 0.222 -2.213 0.958) 2.422 4.921 ( -1.716 -4.669 1.672) 5.248 4.943 ( -8.988 2.475 -1.067) 9.384 5.005 ( -0.174 3.383 2.330) 4.112 5.095 ( -8.137 -1.231 0.171) 8.231 5.178 ( 1.092 2.925 -1.058) 3.297 5.293 ( 2.229 -0.907 -6.574) 7.001 5.455 ( 4.792 1.285 -0.097) 4.962 5.546 ( 4.278 -0.399 0.553) 4.332 5.593 ( -3.094 -1.231 -12.193) 12.639 5.834 ( -2.166 7.371 -0.844) 7.729 5.910 ( -2.724 2.163 -0.100) 3.480 5.947 ( -2.121 -1.090 -1.468) 2.800 5.979 ( -1.638 -0.664 -0.734) 1.914 6.043 ( -2.936 -0.311 -3.469) 4.555 6.069 ( -5.556 -3.528 0.110) 6.582 6.256 ( -1.236 -0.608 -4.906) 5.096 6.304 ( 2.767 -3.195 -0.487) 4.255 6.368 ( 1.000 -2.070 6.466) 6.862 6.387 ( 3.931 0.426 3.734) 5.439 6.547 ( -1.564 -5.872 1.003) 6.158 6.723 ( -3.501 -1.051 -0.260) 3.665 6.876 ( 2.735 -2.417 -2.717) 4.550 6.994 ( -1.685 -3.419 -1.472) 4.086 7.237 ( 6.920 1.368 -0.485) 7.070 7.498 ( -0.095 -1.931 -1.297) 2.328 7.694 ( -1.487 -1.451 0.114) 2.081 7.739 ( 0.269 -0.604 2.004) 2.110 7.795 ( 0.852 0.417 2.465) 2.641 7.904 ( -2.440 -4.795 4.686) 7.135 8.052 ( 1.724 -1.582 -0.428) 2.378 8.077 ( 1.171 -3.511 -1.949) 4.183 8.145 ( -7.639 -2.043 -1.040) 7.976 8.222 ( -6.154 -0.597 -0.297) 6.190 8.272 ( -0.119 0.059 -3.412) 3.414 8.427 ( 3.242 1.924 -1.689) 4.131 8.491 ( -2.481 -0.680 -0.058) 2.573 8.559 ( -0.378 4.019 4.606) 6.125 8.685 ( 3.331 -6.490 6.683) 9.894 8.797 ( 3.039 -1.226 4.291) 5.400 9.048 ( 5.103 2.726 -6.165) 8.454 9.116 ( 0.800 1.001 -0.398) 1.342 9.226 ( -1.406 2.358 3.825) 4.709 9.262 ( 0.276 -1.019 5.088) 5.197 9.307 ( 5.853 -1.027 -4.261) 7.312 9.605 ( -1.154 3.135 -5.319) 6.281 9.712 ( 0.029 3.930 1.965) 4.394 9.778 ( -3.337 -2.373 -1.107) 4.242 10.026 ( 2.730 0.090 1.996) 3.383 10.165 ( 2.233 2.418 -3.812) 5.036 10.344 ( -2.407 2.853 2.297) 4.383 10.622 ( -0.501 11.468 1.359) 11.559 10.878 ( -3.674 -10.463 0.263) 11.092 10.955 ( -0.803 -0.596 0.465) 1.103 11.301 ( 4.118 -1.475 -1.016) 4.491 11.526 ( 4.850 2.153 0.323) 5.316 11.679 ( -3.793 -3.107 0.206) 4.907 11.804 ( 1.708 -0.508 0.993) 2.040 11.962 ( -2.356 3.978 0.453) 4.646 12.088 ( -1.948 1.748 1.335) 2.938 12.124 ( -0.092 0.659 -1.733) 1.856 12.186 ( -1.780 -1.150 -2.005) 2.917 12.222 ( -1.894 2.657 -0.879) 3.379 12.300 ( -0.119 -3.642 -1.680) 4.012 12.432 ( -1.270 -0.777 6.363) 6.535 12.528 ( 4.102 2.491 0.596) 4.836 12.717 ( 2.301 0.861 -1.046) 2.670 12.818 ( 0.001 -3.335 -0.284) 3.347 12.945 ( -4.640 -1.830 3.425) 6.050 13.139 ( 7.237 3.822 -3.967) 9.095 13.271 ( -1.242 -2.669 -7.253) 7.827 13.357 ( -1.389 1.052 0.580) 1.837 13.405 ( 0.793 -1.466 -1.490) 2.236 13.519 ( -1.269 -0.795 3.167) 3.503 13.550 ( -1.795 -3.055 1.914) 4.027 13.740 ( -0.653 -2.979 -2.595) 4.004 13.846 ( -10.515 0.158 6.528) 12.378 14.213 ( 1.541 1.028 3.121) 3.630 14.291 ( -2.656 -1.134 -0.527) 2.936 14.513 ( 0.111 2.749 -5.379) 6.042 14.611 ( -0.342 -2.538 -2.907) 3.875 14.825 ( 2.224 1.709 1.891) 3.383 14.928 ( -4.931 -0.057 -2.267) 5.427 15.481 ( 15.739 0.940 6.106) 16.908 15.577 ( -4.011 -2.130 -0.913) 4.632 16.209 ( 2.728 7.674 -3.523) 8.874 16.389 ( 4.828 -2.800 0.274) 5.588 16.552 ( 0.834 -2.499 1.141) 2.871 17.366 ( 2.090 -0.300 1.130) 2.395 17.798 ( -7.636 -1.777 -3.031) 8.405 18.343 ( 0.057 0.969 -0.052) 0.972 20.513 ( 1.171 -1.212 2.445) 2.970 20.609 ( -2.455 -0.947 0.087) 2.633 21.091 ( 2.422 -0.028 -0.418) 2.458 21.303 ( 2.520 0.175 0.621) 2.601 21.426 ( 1.797 2.702 3.575) 4.828 21.580 ( 1.043 1.002 2.925) 3.263 21.616 ( 0.992 2.123 -1.989) 3.074 21.781 ( 1.834 -0.819 -1.365) 2.429 21.890 ( 2.004 2.007 -2.724) 3.933 22.056 ( -2.911 -4.228 -2.092) 5.543 22.063 ( -0.805 -0.767 1.279) 1.695 22.332 ( 3.818 0.699 4.315) 5.803 22.442 ( -10.926 -1.420 -6.965) 13.035 22.707 ( -5.530 0.178 -7.496) 9.317 22.903 ( 3.770 4.888 3.202) 6.954 23.045 ( 5.805 -6.292 4.077) 9.482 23.266 ( -2.914 -0.088 -1.635) 3.342 23.279 ( 0.047 -0.291 3.925) 3.936 23.413 ( 1.664 0.308 -0.306) 1.720 23.466 ( 0.285 -1.439 1.494) 2.094 23.544 ( 0.400 0.933 -0.193) 1.033 23.600 ( -3.024 0.451 -0.505) 3.099 23.745 ( 3.339 0.368 1.642) 3.739 24.133 ( -8.960 3.262 4.546) 10.564 24.234 ( 1.316 -0.438 -0.627) 1.522 24.275 ( -0.448 0.054 -0.480) 0.659 24.443 ( 7.772 1.862 -4.047) 8.958 24.873 ( -2.747 2.974 -2.879) 4.968 25.535 ( 0.122 -0.137 0.389) 0.430 25.608 ( 0.268 -0.499 0.275) 0.630 ======================= Grid point 17 (12/52) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 9.752 10.277 1.462) 14.243 1.765 ( -1.932 2.434 2.206) 3.811 1.972 ( 1.999 5.463 1.309) 5.963 2.033 ( 1.883 -3.640 0.708) 4.159 2.264 ( -0.601 7.790 4.460) 8.997 2.305 ( -1.604 1.346 0.203) 2.104 2.347 ( -1.559 5.587 1.424) 5.973 2.441 ( 5.638 -3.068 5.221) 8.274 2.535 ( -0.299 0.012 -3.165) 3.179 2.572 ( -2.944 -0.328 0.349) 2.983 2.631 ( 0.813 3.084 -1.119) 3.380 2.700 ( 0.665 -1.569 1.753) 2.445 2.712 ( 0.947 -2.936 -0.178) 3.089 2.774 ( -3.717 1.747 1.252) 4.294 2.805 ( 1.640 -1.304 -1.108) 2.370 2.900 ( -4.625 1.658 2.179) 5.375 2.908 ( -0.648 2.922 0.175) 2.998 2.972 ( -1.121 4.737 -3.821) 6.188 3.090 ( -0.500 0.767 -2.197) 2.381 3.246 ( 2.226 5.856 3.952) 7.407 3.348 ( 6.866 3.340 4.939) 9.093 3.398 ( 2.710 -0.242 7.497) 7.975 3.544 ( 5.291 2.819 1.467) 6.172 3.580 ( 1.527 3.376 -1.173) 3.887 3.648 ( 3.291 0.760 -1.689) 3.777 3.672 ( 0.160 2.277 -0.476) 2.332 3.723 ( -1.310 0.957 -2.148) 2.692 3.816 ( 2.910 5.843 -2.562) 7.012 3.880 ( -6.636 2.026 -6.575) 9.559 4.035 ( -2.371 -1.850 -3.102) 4.320 4.108 ( 2.709 8.127 1.381) 8.677 4.115 ( 1.393 3.235 -0.976) 3.654 4.216 ( 3.355 2.692 -0.178) 4.305 4.281 ( -6.190 0.014 -3.406) 7.066 4.367 ( -4.869 0.079 1.681) 5.151 4.436 ( -6.948 -1.551 0.042) 7.119 4.567 ( 6.383 1.930 4.732) 8.176 4.641 ( -2.222 -0.680 1.949) 3.033 4.665 ( 5.991 -0.922 3.745) 7.125 4.772 ( -0.103 0.471 -0.277) 0.556 4.813 ( -1.973 3.351 -2.218) 4.477 4.880 ( -0.271 -2.281 0.725) 2.408 4.888 ( -3.903 -0.062 3.325) 5.128 4.903 ( -4.284 -1.718 -5.034) 6.830 4.956 ( -1.218 0.046 1.152) 1.677 5.049 ( 0.303 3.466 3.868) 5.203 5.241 ( 4.086 -1.576 -0.605) 4.421 5.293 ( 2.374 2.370 -6.947) 7.714 5.477 ( 1.327 1.245 -3.238) 3.714 5.538 ( 5.116 -3.986 -1.251) 6.605 5.568 ( -1.441 0.612 -2.777) 3.188 5.743 ( -7.689 2.258 0.211) 8.017 5.812 ( -4.128 2.104 -1.398) 4.840 5.917 ( -0.794 0.362 0.062) 0.874 5.944 ( -1.203 1.151 2.364) 2.892 5.964 ( -1.123 0.291 -4.904) 5.039 6.046 ( 0.838 -5.116 0.889) 5.260 6.197 ( -1.813 1.470 -1.283) 2.663 6.335 ( 0.966 -1.585 -0.282) 1.877 6.407 ( -0.023 -2.566 2.693) 3.720 6.460 ( 0.844 -1.627 1.181) 2.181 6.566 ( 1.786 -4.039 0.598) 4.456 6.679 ( -0.592 -5.105 -0.861) 5.211 6.891 ( 0.711 -3.169 -1.426) 3.547 6.953 ( -1.337 -1.351 -0.418) 1.946 7.331 ( 2.809 3.180 -0.535) 4.277 7.493 ( 0.236 -4.798 -0.574) 4.838 7.703 ( 1.641 0.533 0.754) 1.883 7.768 ( 0.534 -0.008 1.802) 1.879 7.797 ( -2.856 0.383 0.933) 3.028 7.891 ( 2.080 -3.596 1.452) 4.401 8.001 ( -5.487 -0.573 -1.791) 5.800 8.095 ( 0.670 -2.914 -0.098) 2.992 8.098 ( 1.191 -2.152 0.957) 2.639 8.135 ( -2.682 -2.769 0.242) 3.863 8.243 ( -0.749 -0.972 -1.373) 1.841 8.379 ( -3.549 -3.119 -0.719) 4.779 8.485 ( 1.696 1.562 0.324) 2.329 8.649 ( 3.315 5.403 2.534) 6.827 8.793 ( 3.076 -5.389 3.381) 7.066 8.835 ( -1.082 0.670 1.537) 1.996 9.057 ( 0.714 2.199 -3.632) 4.305 9.124 ( 0.125 2.456 -1.315) 2.789 9.253 ( 1.067 1.638 3.226) 3.772 9.307 ( 0.285 -0.553 3.229) 3.288 9.380 ( 3.752 -0.723 -2.401) 4.513 9.539 ( -2.044 2.078 -2.337) 3.736 9.635 ( -3.764 -3.055 -0.901) 4.931 9.822 ( 3.291 4.309 0.037) 5.422 10.076 ( 1.954 -0.406 -0.018) 1.996 10.175 ( 0.406 4.223 -0.988) 4.356 10.304 ( -2.563 -0.863 1.238) 2.974 10.629 ( 0.065 10.672 0.962) 10.716 10.827 ( -1.517 -5.479 0.136) 5.687 10.943 ( -0.579 -0.851 0.285) 1.068 11.380 ( 4.426 -1.037 -0.715) 4.602 11.543 ( -3.749 1.170 0.218) 3.934 11.677 ( 3.377 -4.366 -0.232) 5.525 11.834 ( 0.613 -0.627 0.868) 1.234 11.930 ( -1.311 7.074 1.513) 7.352 12.062 ( -2.374 0.531 1.533) 2.875 12.098 ( -1.009 1.782 -2.589) 3.301 12.135 ( 0.253 2.212 -1.874) 2.910 12.194 ( -1.495 -4.629 0.507) 4.891 12.284 ( 0.052 -2.145 -1.619) 2.688 12.457 ( -0.303 -1.912 2.998) 3.568 12.583 ( 1.084 3.296 0.775) 3.555 12.755 ( 1.615 2.096 -0.764) 2.754 12.823 ( 0.403 -3.909 1.297) 4.138 12.904 ( -1.565 -0.417 0.915) 1.860 13.187 ( -1.182 -1.470 -3.592) 4.057 13.267 ( 6.968 6.322 -2.720) 9.794 13.308 ( -1.638 1.141 -1.139) 2.298 13.441 ( -0.750 -6.247 -0.258) 6.297 13.480 ( 0.793 -2.167 0.324) 2.331 13.563 ( -1.619 -0.504 1.578) 2.316 13.670 ( -4.784 -3.532 2.421) 6.420 13.736 ( -3.639 -3.257 2.226) 5.367 14.153 ( -3.239 3.686 -2.078) 5.329 14.327 ( 1.779 -5.807 3.338) 6.930 14.518 ( 2.555 2.426 -4.509) 5.722 14.595 ( -0.215 5.714 -0.749) 5.767 14.839 ( 0.634 1.146 0.159) 1.319 14.881 ( -1.829 -5.163 0.741) 5.527 15.484 ( -2.114 0.155 -1.211) 2.441 15.790 ( 8.538 -0.777 5.302) 10.080 16.192 ( 0.012 3.653 -5.652) 6.730 16.429 ( -1.032 8.883 2.048) 9.174 16.636 ( 5.054 -9.873 0.271) 11.094 17.410 ( 1.099 -0.902 1.371) 1.975 17.635 ( -5.342 -0.657 -2.498) 5.934 18.343 ( 0.040 0.910 -0.033) 0.912 20.545 ( 0.478 -1.711 1.272) 2.184 20.570 ( -1.303 -0.623 0.032) 1.445 21.126 ( 1.270 -0.034 -0.230) 1.291 21.339 ( 0.898 0.172 0.111) 0.921 21.495 ( 1.349 6.089 3.620) 7.211 21.607 ( 0.528 0.233 0.189) 0.607 21.630 ( 0.890 -0.507 0.129) 1.032 21.825 ( 2.850 0.358 -0.635) 2.942 21.916 ( 2.360 2.082 -1.086) 3.329 22.008 ( 0.651 -6.047 -4.407) 7.511 22.044 ( -3.331 -1.844 2.571) 4.595 22.216 ( -6.138 0.115 -2.448) 6.609 22.448 ( 2.660 0.703 5.453) 6.108 22.561 ( -3.574 0.478 -7.060) 7.927 22.943 ( 0.263 6.484 0.610) 6.518 23.134 ( 1.718 -11.129 0.496) 11.272 23.204 ( -1.856 0.629 -0.993) 2.197 23.323 ( 0.649 -1.499 3.242) 3.630 23.449 ( 2.415 2.606 0.292) 3.565 23.492 ( 0.712 -0.295 1.858) 2.011 23.537 ( -2.881 0.693 -1.259) 3.219 23.552 ( 0.443 0.483 -0.347) 0.741 23.809 ( 1.825 1.022 1.237) 2.430 24.029 ( -3.860 3.001 1.521) 5.121 24.255 ( 0.516 0.087 -0.138) 0.541 24.265 ( 0.099 -0.525 -0.406) 0.671 24.522 ( 2.787 1.782 -1.536) 3.647 24.804 ( -1.828 3.142 -1.926) 4.114 25.540 ( 0.073 -0.353 0.229) 0.427 25.614 ( 0.167 -0.504 0.172) 0.558 ======================= Grid point 35 (13/52) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 9.224 0.000 20.317) 22.313 0.708 ( 5.416 0.000 32.975) 33.417 1.042 ( -2.165 0.000 47.308) 47.357 1.257 ( -4.598 0.000 -0.593) 4.636 1.661 ( -3.783 0.000 -3.562) 5.196 1.765 ( 6.768 0.000 -10.434) 12.436 2.034 ( 4.976 0.000 3.526) 6.099 2.122 ( -2.267 0.000 6.619) 6.997 2.211 ( 4.192 0.000 -6.501) 7.735 2.333 ( -1.095 0.000 2.437) 2.672 2.398 ( 4.007 0.000 -6.207) 7.388 2.429 ( 1.153 0.000 5.672) 5.788 2.476 ( 0.258 0.000 0.049) 0.263 2.570 ( -5.616 0.000 -0.615) 5.649 2.761 ( 3.807 0.000 4.262) 5.714 2.771 ( 2.190 0.000 3.975) 4.538 2.793 ( -3.466 0.000 2.093) 4.049 2.981 ( 2.358 0.000 -5.962) 6.411 3.118 ( -0.924 0.000 -1.642) 1.885 3.177 ( 1.927 0.000 -1.105) 2.222 3.184 ( -2.271 0.000 -1.849) 2.929 3.198 ( 4.347 0.000 -3.372) 5.501 3.329 ( -2.812 0.000 5.703) 6.359 3.477 ( 1.799 0.000 5.772) 6.046 3.496 ( -1.432 0.000 -1.312) 1.942 3.592 ( -1.778 0.000 -0.573) 1.868 3.607 ( -5.097 0.000 -0.880) 5.172 3.710 ( 1.056 0.000 0.916) 1.397 3.760 ( 3.707 0.000 -3.206) 4.901 3.780 ( 2.809 0.000 1.667) 3.267 3.834 ( 0.039 0.000 -1.657) 1.658 3.944 ( -1.971 0.000 13.408) 13.552 3.947 ( -2.414 0.000 -1.899) 3.071 4.074 ( 2.089 0.000 1.903) 2.826 4.389 ( -7.352 0.000 2.537) 7.777 4.481 ( -3.377 0.000 -5.872) 6.773 4.504 ( 2.512 0.000 -11.889) 12.151 4.574 ( -0.772 0.000 -9.704) 9.734 4.719 ( 5.625 0.000 8.119) 9.877 4.798 ( -3.423 0.000 0.491) 3.458 4.876 ( 2.019 0.000 -2.831) 3.477 4.923 ( -4.215 0.000 4.707) 6.318 5.011 ( 0.120 0.000 -1.134) 1.141 5.029 ( 3.895 0.000 -0.610) 3.943 5.080 ( 0.745 0.000 -1.439) 1.621 5.083 ( -2.573 0.000 -6.085) 6.607 5.258 ( 1.152 0.000 4.996) 5.128 5.425 ( 0.871 0.000 -2.349) 2.505 5.521 ( -1.791 0.000 -9.831) 9.993 5.566 ( -2.114 0.000 -0.905) 2.300 5.614 ( -1.403 0.000 3.678) 3.937 5.738 ( 1.987 0.000 -3.051) 3.641 5.756 ( -0.499 0.000 -1.937) 2.000 5.797 ( -0.536 0.000 8.105) 8.123 5.972 ( -5.238 0.000 2.975) 6.024 6.215 ( -2.341 0.000 -1.755) 2.926 6.260 ( 19.057 0.000 -5.243) 19.765 6.291 ( -1.725 0.000 -2.049) 2.679 6.338 ( -2.529 0.000 0.729) 2.632 6.546 ( -1.420 0.000 4.112) 4.350 6.560 ( 18.124 0.000 -3.195) 18.404 6.671 ( -0.189 0.000 4.622) 4.626 6.768 ( 0.616 0.000 2.465) 2.541 6.813 ( 5.181 0.000 -1.547) 5.407 7.077 ( 0.874 0.000 -4.850) 4.928 7.148 ( -0.224 0.000 -2.450) 2.460 7.595 ( -1.277 0.000 5.537) 5.682 7.719 ( -2.234 0.000 2.281) 3.192 7.829 ( 0.479 0.000 1.762) 1.826 7.952 ( 3.523 0.000 1.230) 3.731 8.052 ( -1.769 0.000 -1.963) 2.643 8.078 ( 2.867 0.000 -1.582) 3.274 8.260 ( 0.096 0.000 -3.734) 3.735 8.278 ( 1.428 0.000 2.475) 2.857 8.425 ( -0.352 0.000 7.233) 7.241 8.503 ( 2.509 0.000 -5.346) 5.906 8.522 ( 0.836 0.000 -1.810) 1.993 8.541 ( -1.596 0.000 1.002) 1.884 8.596 ( -0.603 0.000 -2.885) 2.948 8.758 ( 1.758 0.000 -5.657) 5.924 8.805 ( -2.317 0.000 0.558) 2.383 9.008 ( -0.297 0.000 1.845) 1.869 9.033 ( 4.249 0.000 -0.490) 4.277 9.107 ( 0.187 0.000 -3.130) 3.136 9.251 ( 3.991 0.000 -3.651) 5.409 9.304 ( -4.049 0.000 -5.657) 6.957 9.405 ( -2.890 0.000 11.007) 11.380 9.529 ( -1.806 0.000 4.801) 5.129 9.752 ( -3.094 0.000 4.218) 5.231 9.871 ( 0.155 0.000 3.538) 3.542 9.884 ( -3.079 0.000 2.542) 3.993 10.258 ( -0.518 0.000 0.389) 0.648 10.361 ( 3.968 0.000 -8.549) 9.425 10.453 ( 0.640 0.000 -3.523) 3.581 11.230 ( 6.885 0.000 1.439) 7.034 11.363 ( -0.734 0.000 -2.742) 2.839 11.557 ( -15.718 0.000 2.063) 15.852 11.699 ( 2.687 0.000 0.492) 2.731 11.798 ( 0.397 0.000 -1.738) 1.783 11.814 ( 3.452 0.000 -4.785) 5.901 12.024 ( -1.664 0.000 1.786) 2.441 12.147 ( -4.607 0.000 -1.582) 4.871 12.151 ( -4.521 0.000 6.191) 7.666 12.296 ( -2.997 0.000 5.681) 6.423 12.338 ( 1.753 0.000 0.702) 1.889 12.492 ( 0.631 0.000 4.026) 4.076 12.701 ( 0.142 0.000 -9.270) 9.271 12.807 ( 6.674 0.000 -4.370) 7.977 12.933 ( -4.631 0.000 1.871) 4.994 13.142 ( -1.794 0.000 8.468) 8.656 13.363 ( 4.425 0.000 -1.375) 4.634 13.471 ( -0.317 0.000 2.954) 2.970 13.485 ( 7.896 0.000 -7.302) 10.755 13.520 ( 2.932 0.000 1.520) 3.302 13.540 ( 10.689 0.000 3.151) 11.144 13.677 ( -13.988 0.000 1.239) 14.043 13.716 ( -2.483 0.000 -2.116) 3.262 13.920 ( 0.006 0.000 -5.717) 5.717 14.101 ( 3.953 0.000 -3.632) 5.368 14.238 ( -4.600 0.000 -8.482) 9.649 14.657 ( -7.618 0.000 5.785) 9.566 14.663 ( 18.354 0.000 7.558) 19.849 14.940 ( 46.103 0.000 0.639) 46.107 15.014 ( -4.596 0.000 -0.223) 4.601 15.367 ( 2.360 0.000 -0.343) 2.385 15.586 ( -0.167 0.000 -5.634) 5.637 15.902 ( 8.972 0.000 5.971) 10.777 16.239 ( -1.931 0.000 -2.714) 3.331 17.192 ( -79.431 0.000 0.841) 79.435 17.302 ( 7.575 0.000 -1.925) 7.816 17.736 ( -3.481 0.000 6.217) 7.125 18.180 ( 2.062 0.000 -4.213) 4.690 20.789 ( 17.624 0.000 -0.292) 17.627 20.812 ( -0.510 0.000 -1.508) 1.592 21.140 ( 1.809 0.000 1.972) 2.676 21.223 ( -0.848 0.000 0.313) 0.904 21.263 ( -4.893 0.000 0.633) 4.934 21.274 ( 15.964 0.000 0.245) 15.966 21.548 ( 2.280 0.000 0.325) 2.303 21.776 ( -5.529 0.000 -7.087) 8.989 21.945 ( 2.270 0.000 -0.413) 2.307 21.975 ( -1.104 0.000 -1.665) 1.997 22.275 ( 4.071 0.000 4.112) 5.786 22.405 ( -6.182 0.000 0.829) 6.237 22.644 ( 11.037 0.000 0.032) 11.037 22.662 ( 1.064 0.000 -1.636) 1.951 23.007 ( 24.215 0.000 1.118) 24.241 23.036 ( -1.051 0.000 0.413) 1.129 23.121 ( -8.896 0.000 4.580) 10.006 23.257 ( -3.981 0.000 -3.236) 5.130 23.269 ( -43.551 0.000 0.281) 43.551 23.453 ( 1.977 0.000 2.472) 3.165 23.584 ( 0.786 0.000 -0.536) 0.952 23.584 ( -5.170 0.000 -0.504) 5.194 23.674 ( 2.944 0.000 3.344) 4.456 23.871 ( 1.615 0.000 -2.775) 3.210 24.081 ( -3.370 0.000 3.733) 5.029 24.242 ( -1.290 0.000 0.039) 1.291 24.257 ( 0.314 0.000 -0.253) 0.403 24.403 ( 3.578 0.000 -3.418) 4.948 25.663 ( 0.389 0.000 0.485) 0.622 25.712 ( 3.081 0.000 -0.606) 3.140 ======================= Grid point 36 (14/52) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 19.166 0.000 16.393) 25.220 0.955 ( -5.508 0.000 20.027) 20.771 1.136 ( 7.261 0.000 3.230) 7.947 1.554 ( -5.508 0.000 -7.134) 9.013 1.670 ( 21.687 0.000 28.278) 35.637 1.864 ( 10.358 0.000 -8.641) 13.489 2.028 ( -5.225 0.000 -5.631) 7.681 2.046 ( -11.905 0.000 5.184) 12.985 2.234 ( 4.793 0.000 -4.978) 6.910 2.272 ( -2.953 0.000 0.129) 2.956 2.419 ( -0.531 0.000 -0.137) 0.549 2.464 ( 2.029 0.000 4.700) 5.120 2.493 ( 2.586 0.000 -0.277) 2.601 2.589 ( -1.134 0.000 10.257) 10.320 2.683 ( -7.992 0.000 1.471) 8.126 2.808 ( 0.883 0.000 1.067) 1.385 2.885 ( 3.008 0.000 -1.016) 3.175 2.948 ( 0.622 0.000 0.945) 1.131 3.105 ( -0.519 0.000 -8.964) 8.979 3.118 ( -11.499 0.000 -7.180) 13.557 3.171 ( 5.641 0.000 -5.326) 7.758 3.235 ( 2.242 0.000 -2.906) 3.670 3.344 ( 0.348 0.000 7.224) 7.233 3.418 ( -5.226 0.000 0.206) 5.230 3.529 ( -0.943 0.000 7.624) 7.682 3.565 ( 2.362 0.000 -1.048) 2.584 3.621 ( 3.218 0.000 5.448) 6.328 3.712 ( -0.081 0.000 1.829) 1.831 3.771 ( -1.027 0.000 -0.634) 1.206 3.803 ( -2.162 0.000 -2.610) 3.389 3.826 ( 1.113 0.000 -1.145) 1.597 3.874 ( -1.727 0.000 2.007) 2.648 4.072 ( 7.054 0.000 2.154) 7.375 4.148 ( 2.610 0.000 2.420) 3.560 4.240 ( -11.628 0.000 4.192) 12.360 4.304 ( -8.310 0.000 -5.482) 9.955 4.484 ( 2.115 0.000 -4.364) 4.850 4.562 ( 4.314 0.000 -3.509) 5.561 4.674 ( -7.158 0.000 0.631) 7.186 4.725 ( -3.692 0.000 2.029) 4.212 4.822 ( -1.821 0.000 -5.942) 6.214 4.973 ( -1.471 0.000 3.749) 4.028 5.000 ( -0.046 0.000 -3.270) 3.270 5.077 ( 3.484 0.000 2.113) 4.074 5.137 ( 6.428 0.000 3.557) 7.347 5.191 ( 9.307 0.000 -0.297) 9.311 5.319 ( 2.644 0.000 -0.482) 2.688 5.405 ( -3.680 0.000 -7.434) 8.294 5.453 ( 5.502 0.000 -7.416) 9.234 5.507 ( -1.904 0.000 -0.160) 1.911 5.547 ( -5.133 0.000 -0.606) 5.169 5.663 ( -2.492 0.000 -4.370) 5.031 5.793 ( 0.417 0.000 2.165) 2.204 5.801 ( -3.909 0.000 7.889) 8.804 5.953 ( -0.534 0.000 5.668) 5.693 6.154 ( -2.815 0.000 -1.840) 3.363 6.210 ( -3.207 0.000 -3.365) 4.648 6.292 ( -1.581 0.000 -2.032) 2.575 6.379 ( 4.813 0.000 -4.385) 6.511 6.547 ( -2.165 0.000 3.813) 4.385 6.664 ( -1.553 0.000 3.873) 4.173 6.796 ( 2.194 0.000 -5.943) 6.335 6.819 ( 0.209 0.000 4.326) 4.331 6.975 ( 12.215 0.000 -8.307) 14.772 7.042 ( -0.040 0.000 -4.884) 4.884 7.214 ( 11.883 0.000 -6.037) 13.328 7.612 ( -0.968 0.000 4.815) 4.911 7.725 ( 0.761 0.000 0.709) 1.040 7.846 ( -0.685 0.000 2.268) 2.369 7.966 ( -4.249 0.000 -2.635) 5.000 8.016 ( 1.612 0.000 0.811) 1.804 8.151 ( 4.647 0.000 -0.217) 4.652 8.236 ( 0.262 0.000 -2.019) 2.036 8.350 ( 2.766 0.000 2.808) 3.942 8.429 ( -2.158 0.000 -0.681) 2.263 8.461 ( -1.890 0.000 -1.878) 2.664 8.512 ( 1.613 0.000 -6.444) 6.643 8.557 ( -1.844 0.000 0.756) 1.993 8.566 ( 0.626 0.000 2.261) 2.346 8.710 ( -9.471 0.000 4.142) 10.337 8.722 ( -1.083 0.000 -5.720) 5.822 8.834 ( -13.581 0.000 7.072) 15.312 9.029 ( -0.763 0.000 3.184) 3.274 9.047 ( -0.593 0.000 -4.068) 4.112 9.269 ( -2.039 0.000 -0.693) 2.154 9.342 ( 6.215 0.000 -3.253) 7.015 9.457 ( 1.853 0.000 4.429) 4.801 9.535 ( -1.419 0.000 3.954) 4.201 9.709 ( -3.273 0.000 0.772) 3.363 9.877 ( -1.751 0.000 2.264) 2.862 9.932 ( 4.022 0.000 4.401) 5.962 10.190 ( -3.898 0.000 -1.031) 4.032 10.423 ( -0.838 0.000 -3.916) 4.005 10.434 ( 6.782 0.000 -5.323) 8.621 11.270 ( -7.846 0.000 8.351) 11.459 11.346 ( 0.510 0.000 -1.060) 1.176 11.418 ( 3.267 0.000 -3.172) 4.554 11.751 ( 2.569 0.000 -0.718) 2.667 11.778 ( -0.596 0.000 -2.875) 2.936 11.832 ( 0.640 0.000 -2.689) 2.765 12.040 ( 0.395 0.000 1.462) 1.514 12.080 ( -0.595 0.000 -1.017) 1.178 12.157 ( -1.464 0.000 9.059) 9.176 12.307 ( 1.445 0.000 2.154) 2.594 12.378 ( 0.177 0.000 3.454) 3.458 12.501 ( -1.565 0.000 1.522) 2.184 12.634 ( -0.623 0.000 -8.088) 8.112 12.848 ( -5.601 0.000 3.545) 6.629 12.900 ( 5.728 0.000 -1.791) 6.002 13.129 ( -4.869 0.000 6.328) 7.984 13.350 ( -0.757 0.000 -5.353) 5.406 13.415 ( -10.416 0.000 -1.475) 10.520 13.491 ( 0.666 0.000 6.267) 6.302 13.520 ( 1.181 0.000 -3.552) 3.743 13.607 ( -5.290 0.000 -2.906) 6.035 13.651 ( 6.434 0.000 -0.328) 6.442 13.863 ( 15.493 0.000 5.115) 16.316 13.864 ( -1.015 0.000 -6.341) 6.422 14.061 ( -4.414 0.000 -7.700) 8.875 14.166 ( 3.248 0.000 -1.124) 3.437 14.535 ( -8.092 0.000 0.344) 8.099 14.890 ( -4.141 0.000 -4.476) 6.097 14.957 ( 8.914 0.000 7.161) 11.434 15.181 ( -14.341 0.000 3.246) 14.704 15.397 ( -0.038 0.000 1.445) 1.446 15.458 ( -2.087 0.000 -9.212) 9.446 15.968 ( -17.514 0.000 15.103) 23.127 16.179 ( -1.465 0.000 -3.372) 3.677 16.723 ( 21.227 0.000 0.544) 21.233 17.467 ( 7.619 0.000 3.106) 8.228 17.728 ( -2.268 0.000 5.875) 6.298 18.191 ( 2.252 0.000 -3.869) 4.476 20.722 ( -5.989 0.000 -1.963) 6.302 20.911 ( 2.760 0.000 -4.576) 5.344 21.190 ( 0.908 0.000 0.044) 0.909 21.207 ( -0.271 0.000 0.503) 0.571 21.217 ( 0.070 0.000 -0.478) 0.483 21.503 ( 2.513 0.000 -3.476) 4.289 21.603 ( -0.220 0.000 -6.694) 6.698 21.625 ( 4.033 0.000 1.922) 4.468 21.945 ( -0.675 0.000 -1.294) 1.460 21.985 ( 2.709 0.000 -0.979) 2.881 22.284 ( -6.228 0.000 0.612) 6.258 22.382 ( 2.372 0.000 5.048) 5.577 22.554 ( -19.577 0.000 10.644) 22.283 22.679 ( 2.602 0.000 -2.670) 3.728 22.790 ( -0.468 0.000 9.460) 9.471 22.978 ( -3.622 0.000 -3.765) 5.225 23.188 ( -0.890 0.000 4.530) 4.617 23.191 ( -2.304 0.000 3.839) 4.477 23.365 ( 10.279 0.000 -5.133) 11.489 23.494 ( 1.384 0.000 -1.117) 1.778 23.519 ( -2.436 0.000 0.154) 2.441 23.613 ( 2.141 0.000 0.825) 2.295 23.852 ( -1.411 0.000 -2.961) 3.280 23.920 ( 17.567 0.000 -9.450) 19.947 24.065 ( -0.623 0.000 2.867) 2.934 24.228 ( -0.126 0.000 0.272) 0.300 24.279 ( 2.134 0.000 -0.527) 2.198 24.464 ( 4.432 0.000 -0.805) 4.504 25.669 ( -0.215 0.000 0.515) 0.558 25.701 ( -1.681 0.000 -1.259) 2.100 ======================= Grid point 37 (15/52) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -1.961 0.000 4.611) 5.011 1.238 ( -2.961 0.000 1.120) 3.165 1.378 ( 5.900 0.000 2.703) 6.490 1.486 ( 14.284 0.000 12.580) 19.034 1.647 ( -21.570 0.000 -2.810) 21.752 1.864 ( -1.844 0.000 -14.822) 14.936 1.992 ( 7.238 0.000 -4.279) 8.409 2.113 ( 5.604 0.000 -4.088) 6.937 2.282 ( 2.242 0.000 -1.568) 2.736 2.306 ( 4.455 0.000 3.361) 5.581 2.415 ( -1.762 0.000 -0.578) 1.854 2.501 ( 0.124 0.000 -3.610) 3.612 2.515 ( -21.458 0.000 1.253) 21.494 2.564 ( -3.806 0.000 1.113) 3.966 2.575 ( -6.281 0.000 6.906) 9.335 2.795 ( 7.446 0.000 9.285) 11.902 2.847 ( -1.801 0.000 -4.620) 4.959 2.862 ( -1.592 0.000 3.033) 3.426 2.998 ( 0.190 0.000 -1.764) 1.775 3.057 ( 4.787 0.000 -8.082) 9.394 3.194 ( -0.546 0.000 0.635) 0.838 3.230 ( 0.393 0.000 -3.487) 3.509 3.347 ( -1.665 0.000 -1.967) 2.577 3.466 ( 5.812 0.000 2.420) 6.296 3.581 ( 0.330 0.000 2.603) 2.624 3.630 ( 2.526 0.000 -1.052) 2.736 3.646 ( -5.333 0.000 10.082) 11.405 3.709 ( -1.976 0.000 -1.065) 2.245 3.759 ( -3.123 0.000 1.354) 3.404 3.796 ( 1.920 0.000 -0.385) 1.958 3.854 ( 5.817 0.000 -1.201) 5.939 3.911 ( 1.599 0.000 6.044) 6.252 4.009 ( -7.952 0.000 -0.156) 7.954 4.096 ( -8.053 0.000 3.039) 8.607 4.202 ( 0.448 0.000 -3.910) 3.935 4.242 ( 8.918 0.000 -1.093) 8.985 4.445 ( -7.286 0.000 -3.347) 8.018 4.605 ( -0.096 0.000 5.150) 5.151 4.656 ( 4.762 0.000 1.397) 4.963 4.722 ( 0.547 0.000 1.999) 2.072 4.828 ( 2.027 0.000 3.457) 4.007 4.876 ( -2.380 0.000 -12.137) 12.368 4.986 ( -1.202 0.000 7.721) 7.814 5.132 ( 2.359 0.000 -0.304) 2.379 5.193 ( -4.204 0.000 -4.870) 6.434 5.304 ( 3.274 0.000 -6.937) 7.671 5.338 ( 2.085 0.000 -5.599) 5.975 5.393 ( 5.359 0.000 6.525) 8.444 5.455 ( -2.855 0.000 0.885) 2.989 5.478 ( 1.252 0.000 -2.277) 2.599 5.564 ( 5.030 0.000 -0.077) 5.031 5.622 ( 0.582 0.000 -1.671) 1.769 5.789 ( -1.826 0.000 1.217) 2.195 5.810 ( -0.515 0.000 7.067) 7.085 5.993 ( -0.451 0.000 4.561) 4.584 6.086 ( -2.569 0.000 -0.343) 2.592 6.162 ( 0.470 0.000 -1.887) 1.945 6.277 ( 1.465 0.000 0.554) 1.566 6.433 ( 3.445 0.000 -1.923) 3.946 6.524 ( -2.897 0.000 2.736) 3.985 6.670 ( -1.203 0.000 2.706) 2.961 6.728 ( -2.642 0.000 -6.322) 6.852 6.829 ( -2.509 0.000 5.300) 5.864 6.987 ( -1.279 0.000 -4.968) 5.130 7.066 ( 4.874 0.000 -7.559) 8.994 7.398 ( 9.704 0.000 -8.034) 12.598 7.620 ( -1.704 0.000 2.803) 3.281 7.734 ( 0.457 0.000 -0.027) 0.458 7.832 ( -1.729 0.000 1.962) 2.615 7.901 ( -0.621 0.000 -1.409) 1.540 8.007 ( -0.307 0.000 -4.582) 4.593 8.180 ( -1.767 0.000 -2.149) 2.782 8.274 ( 4.114 0.000 -0.825) 4.196 8.357 ( -4.355 0.000 -2.929) 5.248 8.389 ( -0.574 0.000 2.463) 2.529 8.420 ( -2.254 0.000 2.018) 3.026 8.488 ( -4.894 0.000 1.279) 5.058 8.489 ( 1.346 0.000 -7.271) 7.395 8.566 ( 2.132 0.000 0.787) 2.272 8.625 ( -4.754 0.000 6.295) 7.888 8.659 ( -0.264 0.000 -5.764) 5.770 8.813 ( 1.496 0.000 9.888) 10.000 8.994 ( -0.689 0.000 -1.837) 1.962 9.066 ( 0.684 0.000 0.989) 1.203 9.198 ( -4.672 0.000 1.519) 4.913 9.396 ( 0.642 0.000 -0.545) 0.842 9.497 ( -0.394 0.000 -0.569) 0.692 9.535 ( 0.339 0.000 0.242) 0.416 9.686 ( 1.473 0.000 0.442) 1.538 9.849 ( -1.187 0.000 -1.956) 2.288 10.040 ( 1.760 0.000 7.011) 7.229 10.131 ( -2.392 0.000 1.645) 2.903 10.382 ( 0.229 0.000 -3.912) 3.919 10.496 ( 3.439 0.000 -4.392) 5.578 11.186 ( -7.138 0.000 8.989) 11.478 11.358 ( 0.782 0.000 0.681) 1.037 11.483 ( 5.457 0.000 -4.478) 7.059 11.751 ( 0.455 0.000 -2.796) 2.833 11.768 ( -0.957 0.000 -1.379) 1.679 11.800 ( 0.567 0.000 -4.921) 4.954 12.048 ( -0.895 0.000 2.332) 2.498 12.121 ( 4.082 0.000 1.504) 4.350 12.215 ( 0.387 0.000 8.315) 8.324 12.359 ( 1.730 0.000 -0.111) 1.734 12.387 ( -2.977 0.000 6.121) 6.807 12.490 ( -0.895 0.000 0.695) 1.133 12.578 ( 1.651 0.000 -2.879) 3.319 12.795 ( -2.837 0.000 3.159) 4.246 12.964 ( 1.398 0.000 -2.248) 2.647 13.079 ( -4.946 0.000 6.124) 7.871 13.200 ( -5.240 0.000 -7.405) 9.071 13.349 ( 1.613 0.000 -2.841) 3.267 13.480 ( -5.500 0.000 -3.396) 6.464 13.513 ( 0.772 0.000 -4.509) 4.574 13.566 ( 2.052 0.000 5.775) 6.129 13.731 ( 2.511 0.000 -4.001) 4.723 13.818 ( 1.534 0.000 -3.688) 3.995 13.992 ( 1.413 0.000 -3.062) 3.372 14.054 ( -2.130 0.000 -5.338) 5.747 14.248 ( 7.745 0.000 8.716) 11.660 14.373 ( -5.648 0.000 -3.654) 6.727 14.796 ( -20.608 0.000 9.035) 22.502 14.885 ( 6.059 0.000 -2.594) 6.591 15.216 ( 3.004 0.000 0.144) 3.007 15.342 ( 0.109 0.000 -8.238) 8.239 15.379 ( -2.891 0.000 1.266) 3.156 15.838 ( -7.787 0.000 12.528) 14.751 16.149 ( 0.706 0.000 -1.949) 2.073 17.149 ( 21.234 0.000 1.971) 21.326 17.556 ( -1.477 0.000 1.714) 2.263 17.739 ( -1.187 0.000 6.587) 6.693 18.202 ( 1.841 0.000 -3.646) 4.085 20.626 ( -1.843 0.000 -1.694) 2.503 20.898 ( 0.669 0.000 -7.142) 7.173 21.165 ( -0.696 0.000 -2.533) 2.627 21.206 ( -0.237 0.000 -3.444) 3.452 21.254 ( 1.935 0.000 3.031) 3.596 21.368 ( -5.686 0.000 -4.237) 7.091 21.686 ( 0.569 0.000 1.545) 1.646 21.698 ( 5.742 0.000 0.650) 5.779 21.936 ( 0.410 0.000 -0.422) 0.589 22.032 ( 2.981 0.000 -0.419) 3.010 22.152 ( -7.883 0.000 -1.107) 7.961 22.387 ( -3.465 0.000 -0.896) 3.579 22.412 ( -5.938 0.000 10.694) 12.232 22.726 ( 3.352 0.000 -1.837) 3.822 22.856 ( -0.032 0.000 7.764) 7.764 22.890 ( -0.842 0.000 -4.486) 4.564 23.163 ( -2.867 0.000 -1.688) 3.327 23.228 ( -0.467 0.000 11.053) 11.062 23.421 ( 0.930 0.000 -1.324) 1.618 23.491 ( 0.284 0.000 -3.215) 3.228 23.544 ( 2.205 0.000 4.561) 5.066 23.644 ( -0.135 0.000 0.181) 0.225 23.803 ( -0.015 0.000 -3.668) 3.668 24.094 ( 0.417 0.000 4.169) 4.190 24.098 ( 10.317 0.000 -10.620) 14.806 24.240 ( 0.512 0.000 1.649) 1.726 24.319 ( 2.663 0.000 -1.632) 3.123 24.553 ( 4.749 0.000 2.277) 5.267 25.652 ( -2.207 0.000 -2.218) 3.129 25.663 ( -0.567 0.000 -0.114) 0.579 ======================= Grid point 38 (16/52) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -21.495 0.000 -6.003) 22.317 0.989 ( 0.910 0.000 9.123) 9.168 1.114 ( -21.929 0.000 -12.485) 25.235 1.686 ( 11.096 0.000 6.540) 12.880 1.794 ( -22.476 0.000 4.015) 22.832 1.800 ( 5.275 0.000 -10.213) 11.495 1.811 ( -5.192 0.000 10.760) 11.947 2.059 ( -5.309 0.000 -4.814) 7.167 2.214 ( 6.570 0.000 -0.419) 6.583 2.218 ( -6.042 0.000 -7.681) 9.772 2.347 ( 1.757 0.000 -6.426) 6.662 2.380 ( 1.388 0.000 -1.092) 1.766 2.513 ( 0.434 0.000 -0.245) 0.498 2.537 ( -2.325 0.000 6.439) 6.846 2.574 ( 4.648 0.000 -1.269) 4.818 2.787 ( -1.477 0.000 -0.622) 1.603 2.807 ( -3.798 0.000 -1.730) 4.173 2.981 ( 0.903 0.000 -3.203) 3.328 3.093 ( 7.143 0.000 -0.428) 7.155 3.098 ( 3.666 0.000 -6.281) 7.272 3.200 ( -0.855 0.000 5.902) 5.964 3.240 ( -0.310 0.000 -1.683) 1.711 3.373 ( 7.345 0.000 6.295) 9.673 3.469 ( -4.669 0.000 2.370) 5.236 3.593 ( -11.270 0.000 5.274) 12.443 3.601 ( 3.296 0.000 -3.137) 4.550 3.609 ( -2.092 0.000 -3.580) 4.147 3.660 ( -1.100 0.000 -0.115) 1.107 3.731 ( 2.524 0.000 2.338) 3.440 3.806 ( -1.717 0.000 2.669) 3.173 3.867 ( -2.123 0.000 4.053) 4.575 3.926 ( -2.439 0.000 -0.745) 2.551 4.015 ( -1.137 0.000 0.504) 1.244 4.118 ( 4.160 0.000 5.608) 6.982 4.237 ( 5.207 0.000 3.286) 6.157 4.273 ( -1.941 0.000 -3.195) 3.739 4.406 ( 6.373 0.000 -1.907) 6.652 4.643 ( 0.603 0.000 6.261) 6.290 4.671 ( -1.319 0.000 -6.624) 6.754 4.722 ( 0.608 0.000 -0.287) 0.672 4.848 ( -1.510 0.000 1.005) 1.814 4.858 ( 4.918 0.000 -3.051) 5.788 5.070 ( -4.932 0.000 -2.515) 5.536 5.096 ( 2.931 0.000 10.849) 11.238 5.170 ( 0.855 0.000 -0.644) 1.070 5.229 ( -1.989 0.000 -6.352) 6.657 5.316 ( -0.590 0.000 -4.169) 4.210 5.426 ( -2.911 0.000 -1.163) 3.135 5.470 ( -0.298 0.000 -1.667) 1.693 5.531 ( 3.804 0.000 3.395) 5.099 5.627 ( 2.052 0.000 2.729) 3.414 5.653 ( 3.145 0.000 -0.579) 3.198 5.772 ( 0.345 0.000 -1.224) 1.272 5.821 ( -5.227 0.000 -1.019) 5.325 5.946 ( -2.339 0.000 5.925) 6.370 6.170 ( 5.621 0.000 6.350) 8.480 6.193 ( 3.396 0.000 -0.070) 3.397 6.366 ( 6.063 0.000 4.314) 7.441 6.468 ( 1.683 0.000 -2.283) 2.836 6.470 ( -4.584 0.000 0.826) 4.657 6.623 ( -1.893 0.000 -13.682) 13.812 6.639 ( -4.140 0.000 2.475) 4.824 6.821 ( -2.064 0.000 3.839) 4.358 6.908 ( -2.482 0.000 -7.347) 7.755 7.077 ( 2.443 0.000 -7.258) 7.658 7.372 ( -4.992 0.000 -7.285) 8.831 7.592 ( -2.515 0.000 2.267) 3.386 7.790 ( 3.694 0.000 1.548) 4.005 7.821 ( -1.345 0.000 1.896) 2.325 7.932 ( 4.488 0.000 -0.337) 4.501 7.969 ( -0.080 0.000 -5.798) 5.799 8.051 ( -5.834 0.000 -3.881) 7.007 8.291 ( 0.806 0.000 -5.432) 5.492 8.340 ( 1.779 0.000 1.155) 2.121 8.368 ( -3.192 0.000 0.623) 3.253 8.422 ( -0.300 0.000 3.491) 3.504 8.463 ( -0.071 0.000 3.545) 3.546 8.471 ( 1.256 0.000 -2.123) 2.466 8.604 ( -1.483 0.000 4.548) 4.783 8.607 ( 2.049 0.000 -3.845) 4.357 8.665 ( 5.733 0.000 -4.573) 7.333 8.925 ( -0.003 0.000 11.512) 11.512 8.985 ( 1.695 0.000 -3.345) 3.750 9.069 ( -1.481 0.000 2.102) 2.572 9.160 ( -0.025 0.000 2.937) 2.937 9.362 ( -3.098 0.000 -0.813) 3.203 9.456 ( -0.397 0.000 -5.013) 5.029 9.555 ( 0.316 0.000 1.233) 1.273 9.743 ( 1.719 0.000 3.179) 3.615 9.815 ( 0.538 0.000 -3.991) 4.027 10.063 ( -4.784 0.000 6.822) 8.332 10.132 ( 1.000 0.000 2.099) 2.325 10.397 ( 3.777 0.000 -2.799) 4.701 10.491 ( -0.380 0.000 -4.674) 4.689 11.137 ( -4.864 0.000 7.545) 8.978 11.383 ( 1.028 0.000 1.032) 1.457 11.550 ( 4.640 0.000 -1.646) 4.923 11.709 ( -2.171 0.000 -3.254) 3.911 11.762 ( 2.511 0.000 -1.916) 3.158 11.792 ( 2.216 0.000 -6.102) 6.492 12.047 ( -1.522 0.000 4.220) 4.486 12.215 ( 2.925 0.000 4.100) 5.037 12.277 ( 1.127 0.000 3.027) 3.230 12.350 ( -2.193 0.000 0.186) 2.201 12.368 ( -3.849 0.000 8.120) 8.986 12.445 ( -3.106 0.000 1.886) 3.634 12.712 ( 10.440 0.000 1.262) 10.516 12.782 ( -0.102 0.000 0.771) 0.777 12.912 ( -2.754 0.000 -5.137) 5.829 13.050 ( -3.067 0.000 6.652) 7.325 13.069 ( -3.626 0.000 -9.078) 9.776 13.369 ( -3.467 0.000 -2.712) 4.402 13.403 ( 5.765 0.000 -2.769) 6.395 13.485 ( 0.428 0.000 -5.467) 5.484 13.635 ( 1.436 0.000 2.630) 2.996 13.717 ( 0.493 0.000 -0.957) 1.077 13.855 ( 3.851 0.000 -3.822) 5.426 13.867 ( -9.034 0.000 -6.777) 11.293 14.050 ( 3.707 0.000 1.711) 4.082 14.214 ( -5.220 0.000 -2.901) 5.972 14.512 ( -14.525 0.000 3.902) 15.040 14.534 ( 9.943 0.000 7.756) 12.610 14.997 ( 3.811 0.000 2.820) 4.740 15.017 ( -13.206 0.000 -7.748) 15.311 15.327 ( -1.610 0.000 -1.445) 2.163 15.452 ( 7.834 0.000 -1.583) 7.992 15.827 ( -3.001 0.000 9.618) 10.075 16.184 ( 3.823 0.000 -0.486) 3.853 17.444 ( -8.320 0.000 -3.197) 8.913 17.558 ( 18.414 0.000 12.308) 22.149 17.766 ( -1.883 0.000 6.637) 6.899 18.204 ( 1.198 0.000 -3.520) 3.719 20.644 ( 4.338 0.000 -0.508) 4.368 20.810 ( -2.480 0.000 -14.967) 15.171 21.136 ( -0.700 0.000 -1.809) 1.940 21.153 ( -1.246 0.000 -4.849) 5.007 21.283 ( -2.833 0.000 0.983) 2.999 21.310 ( 1.186 0.000 3.448) 3.646 21.660 ( -3.971 0.000 0.220) 3.978 21.794 ( 3.771 0.000 1.605) 4.099 21.955 ( 1.546 0.000 0.568) 1.646 22.007 ( -5.696 0.000 -2.010) 6.040 22.101 ( 3.486 0.000 3.432) 4.892 22.287 ( -3.961 0.000 -4.334) 5.871 22.429 ( -0.839 0.000 8.592) 8.633 22.712 ( -1.829 0.000 -2.901) 3.430 22.883 ( -3.193 0.000 5.763) 6.588 22.929 ( 5.260 0.000 -0.344) 5.272 23.094 ( -1.672 0.000 -1.908) 2.537 23.301 ( -0.856 0.000 10.287) 10.323 23.435 ( 0.409 0.000 2.335) 2.371 23.461 ( -0.969 0.000 -3.099) 3.247 23.612 ( 1.371 0.000 3.500) 3.759 23.615 ( -1.530 0.000 -1.482) 2.130 23.810 ( 2.914 0.000 -3.258) 4.371 24.123 ( -1.420 0.000 5.346) 5.532 24.173 ( 6.071 0.000 -8.884) 10.760 24.261 ( -0.144 0.000 2.388) 2.392 24.345 ( 2.028 0.000 -3.050) 3.663 24.665 ( 5.121 0.000 0.482) 5.143 25.589 ( -2.592 0.000 -2.423) 3.549 25.652 ( -0.144 0.000 -0.542) 0.560 ======================= Grid point 39 (17/52) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( -20.586 0.000 3.787) 20.932 0.535 ( -21.552 0.000 9.576) 23.583 1.193 ( -23.310 0.000 28.576) 36.877 1.234 ( -7.686 0.000 7.335) 10.625 1.779 ( -6.561 0.000 1.481) 6.726 1.808 ( -2.395 0.000 -8.444) 8.777 1.875 ( 10.424 0.000 -3.706) 11.063 2.074 ( 2.648 0.000 3.521) 4.406 2.152 ( 5.312 0.000 -5.877) 7.922 2.318 ( 2.594 0.000 0.736) 2.696 2.360 ( 5.073 0.000 -7.042) 8.679 2.361 ( -1.385 0.000 4.607) 4.810 2.488 ( -0.885 0.000 -3.197) 3.318 2.636 ( 6.561 0.000 7.096) 9.664 2.674 ( 4.893 0.000 0.516) 4.920 2.707 ( -5.200 0.000 -3.028) 6.018 2.796 ( -0.378 0.000 5.223) 5.237 2.974 ( 1.719 0.000 -5.077) 5.360 3.126 ( 2.489 0.000 -1.527) 2.920 3.136 ( 2.275 0.000 -1.862) 2.940 3.185 ( -1.471 0.000 -2.717) 3.090 3.218 ( -1.667 0.000 3.148) 3.562 3.397 ( -7.173 0.000 3.907) 8.168 3.448 ( -4.388 0.000 3.987) 5.929 3.508 ( 2.627 0.000 -4.134) 4.898 3.600 ( 0.254 0.000 2.111) 2.126 3.660 ( 4.653 0.000 0.268) 4.660 3.668 ( 1.164 0.000 2.279) 2.559 3.742 ( -2.860 0.000 -4.839) 5.621 3.802 ( -5.165 0.000 -0.840) 5.233 3.808 ( -1.081 0.000 8.412) 8.481 3.892 ( 1.739 0.000 0.425) 1.790 4.032 ( 1.916 0.000 0.032) 1.916 4.051 ( -8.207 0.000 2.299) 8.523 4.375 ( 7.279 0.000 -2.447) 7.679 4.417 ( 8.976 0.000 4.878) 10.216 4.484 ( 5.435 0.000 0.564) 5.464 4.611 ( 0.545 0.000 -6.438) 6.461 4.698 ( -2.045 0.000 -4.309) 4.770 4.774 ( 7.800 0.000 3.771) 8.664 4.813 ( -3.182 0.000 2.173) 3.853 4.936 ( 3.247 0.000 0.577) 3.298 4.990 ( -2.351 0.000 2.082) 3.141 5.057 ( -4.723 0.000 -2.804) 5.492 5.133 ( -3.582 0.000 -2.007) 4.106 5.201 ( -2.957 0.000 -1.138) 3.169 5.301 ( -7.406 0.000 -1.178) 7.499 5.400 ( 7.409 0.000 11.412) 13.607 5.443 ( -0.566 0.000 -2.538) 2.600 5.571 ( 0.497 0.000 -1.422) 1.506 5.662 ( -6.770 0.000 -3.899) 7.812 5.706 ( 2.989 0.000 -1.959) 3.574 5.713 ( 2.657 0.000 7.157) 7.635 5.772 ( 1.116 0.000 -3.156) 3.347 5.999 ( 0.616 0.000 4.600) 4.641 6.263 ( 1.906 0.000 -3.201) 3.726 6.265 ( -1.066 0.000 3.299) 3.467 6.319 ( -11.827 0.000 -20.260) 23.459 6.375 ( -4.247 0.000 1.661) 4.560 6.497 ( -0.328 0.000 -2.258) 2.281 6.546 ( 7.872 0.000 4.536) 9.086 6.573 ( -4.634 0.000 3.752) 5.962 6.796 ( -2.979 0.000 1.681) 3.420 6.801 ( -2.018 0.000 -5.400) 5.765 7.073 ( 3.093 0.000 -6.443) 7.147 7.221 ( -5.599 0.000 -2.175) 6.006 7.581 ( -1.333 0.000 4.250) 4.454 7.786 ( -5.276 0.000 0.999) 5.370 7.815 ( -0.337 0.000 1.219) 1.265 7.905 ( 1.142 0.000 -2.970) 3.183 8.025 ( 4.488 0.000 0.238) 4.494 8.049 ( 3.326 0.000 -2.224) 4.001 8.280 ( 1.505 0.000 -5.181) 5.395 8.298 ( -3.670 0.000 -0.073) 3.671 8.365 ( 0.156 0.000 6.579) 6.581 8.465 ( 3.163 0.000 -0.672) 3.234 8.500 ( 1.669 0.000 0.842) 1.869 8.536 ( 2.707 0.000 3.922) 4.765 8.609 ( 2.048 0.000 -5.153) 5.545 8.659 ( 6.607 0.000 6.415) 9.209 8.740 ( 4.629 0.000 -4.695) 6.593 8.943 ( -4.814 0.000 9.510) 10.659 9.005 ( 2.649 0.000 -4.325) 5.072 9.065 ( 0.505 0.000 2.976) 3.018 9.257 ( 4.933 0.000 6.830) 8.425 9.289 ( -2.949 0.000 -2.981) 4.193 9.431 ( 1.916 0.000 -6.708) 6.976 9.544 ( -2.741 0.000 3.160) 4.183 9.772 ( -1.458 0.000 3.757) 4.031 9.829 ( 2.324 0.000 -0.077) 2.325 9.984 ( -7.903 0.000 4.739) 9.215 10.193 ( 4.364 0.000 0.218) 4.370 10.424 ( -2.197 0.000 -6.022) 6.411 10.446 ( 2.902 0.000 -2.678) 3.949 11.126 ( -1.345 0.000 7.725) 7.841 11.394 ( -0.284 0.000 -1.197) 1.230 11.640 ( 4.744 0.000 0.399) 4.761 11.668 ( 0.428 0.000 -1.732) 1.784 11.794 ( 3.054 0.000 -6.371) 7.065 11.798 ( 1.845 0.000 -1.364) 2.295 12.060 ( -1.148 0.000 4.595) 4.736 12.236 ( -2.786 0.000 -1.125) 3.005 12.263 ( -2.906 0.000 -2.878) 4.090 12.314 ( -4.641 0.000 9.257) 10.355 12.371 ( -2.791 0.000 -1.760) 3.300 12.441 ( 1.323 0.000 2.062) 2.450 12.755 ( 0.950 0.000 -7.376) 7.437 12.767 ( -1.980 0.000 -10.601) 10.785 12.925 ( 4.968 0.000 5.588) 7.477 13.071 ( 6.414 0.000 16.669) 17.861 13.072 ( 0.430 0.000 8.143) 8.155 13.341 ( 3.337 0.000 -1.344) 3.597 13.448 ( 2.972 0.000 -8.915) 9.397 13.488 ( 2.967 0.000 -1.558) 3.352 13.593 ( -6.248 0.000 -2.389) 6.689 13.744 ( -0.707 0.000 -0.242) 0.747 13.816 ( 9.733 0.000 8.347) 12.822 13.869 ( -1.081 0.000 -1.048) 1.505 14.043 ( -5.517 0.000 2.464) 6.042 14.114 ( -1.837 0.000 -4.953) 5.283 14.414 ( 1.017 0.000 6.171) 6.254 14.694 ( -0.633 0.000 9.114) 9.136 14.719 ( -10.260 0.000 -6.575) 12.186 15.040 ( -0.706 0.000 3.333) 3.407 15.327 ( 2.779 0.000 -2.482) 3.726 15.553 ( 4.757 0.000 -2.340) 5.301 15.844 ( -2.461 0.000 7.758) 8.139 16.251 ( 2.340 0.000 -0.217) 2.350 17.284 ( -2.964 0.000 -5.940) 6.638 17.760 ( -3.704 0.000 6.352) 7.353 17.971 ( 12.632 0.000 -0.572) 12.645 18.196 ( 0.473 0.000 -4.643) 4.667 20.589 ( -6.674 0.000 -9.461) 11.579 20.751 ( 6.328 0.000 -0.219) 6.332 21.119 ( -0.087 0.000 -0.232) 0.248 21.129 ( 1.158 0.000 0.456) 1.244 21.247 ( -2.035 0.000 0.879) 2.217 21.330 ( -2.483 0.000 3.398) 4.209 21.568 ( -4.117 0.000 -1.098) 4.261 21.851 ( 1.097 0.000 -1.330) 1.724 21.924 ( -1.649 0.000 0.127) 1.654 21.988 ( 0.900 0.000 0.160) 0.914 22.219 ( -0.062 0.000 -1.351) 1.353 22.260 ( 10.745 0.000 9.420) 14.290 22.478 ( -0.663 0.000 6.589) 6.622 22.668 ( -0.495 0.000 -2.151) 2.207 22.832 ( -2.747 0.000 1.146) 2.976 23.014 ( 2.770 0.000 1.156) 3.002 23.096 ( 0.246 0.000 4.198) 4.205 23.328 ( -0.835 0.000 -0.427) 0.938 23.423 ( -1.908 0.000 2.811) 3.397 23.472 ( 1.150 0.000 3.699) 3.874 23.587 ( -0.330 0.000 -1.289) 1.331 23.636 ( -0.658 0.000 1.002) 1.199 23.845 ( 3.129 0.000 -3.087) 4.396 24.115 ( -3.358 0.000 4.960) 5.990 24.191 ( 1.890 0.000 -10.974) 11.136 24.263 ( -1.259 0.000 1.469) 1.935 24.351 ( 1.116 0.000 -5.566) 5.677 24.567 ( -15.837 0.000 -24.951) 29.552 25.580 ( 3.199 0.000 6.513) 7.256 25.653 ( 0.458 0.000 -0.144) 0.480 ======================= Grid point 40 (18/52) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 0.150 15.659 24.795) 29.326 0.986 ( 0.650 17.846 26.131) 31.650 1.323 ( 2.600 36.786 22.790) 43.351 1.643 ( -1.796 29.565 -0.778) 29.630 1.848 ( -1.665 14.325 -3.674) 14.882 1.921 ( 6.488 11.345 -8.180) 15.418 2.096 ( 3.874 4.804 4.167) 7.447 2.175 ( -2.108 5.332 4.112) 7.056 2.260 ( 2.080 3.681 -4.768) 6.373 2.348 ( -0.164 1.797 3.690) 4.107 2.420 ( 3.190 3.779 4.693) 6.818 2.449 ( 2.398 3.249 -2.007) 4.510 2.540 ( -3.608 3.085 -3.961) 6.183 2.617 ( -1.927 3.176 2.704) 4.595 2.769 ( 2.330 0.987 3.483) 4.305 2.813 ( 2.355 2.950 2.339) 4.441 2.859 ( 1.406 4.564 3.303) 5.807 2.937 ( -3.188 -2.385 -4.408) 5.940 3.021 ( 0.207 -5.387 -3.560) 6.461 3.129 ( 2.200 0.585 -4.063) 4.657 3.175 ( -0.688 -1.951 1.276) 2.430 3.324 ( 1.153 3.513 3.223) 4.905 3.346 ( 0.262 4.314 3.284) 5.429 3.467 ( 0.741 -5.021 0.869) 5.149 3.521 ( -1.361 3.052 1.510) 3.667 3.593 ( -3.896 2.976 1.056) 5.015 3.601 ( 2.021 1.022 -1.555) 2.747 3.728 ( -2.004 5.299 1.737) 5.926 3.750 ( -4.723 -1.328 -4.054) 6.365 3.869 ( 2.183 -0.649 8.381) 8.684 3.923 ( -1.050 7.298 -1.758) 7.580 3.960 ( 5.655 9.448 4.358) 11.842 3.989 ( -0.958 5.590 -1.135) 5.785 4.237 ( 1.095 8.560 -4.297) 9.641 4.313 ( -2.616 -4.388 -0.003) 5.109 4.409 ( -3.687 0.198 -3.364) 4.995 4.518 ( 4.324 -2.126 -0.160) 4.821 4.571 ( -0.330 -0.455 -7.384) 7.406 4.727 ( 2.160 -1.751 1.267) 3.056 4.783 ( -2.118 -0.857 1.930) 2.991 4.834 ( -1.485 -2.695 0.709) 3.158 4.902 ( 0.115 -3.386 -0.389) 3.410 4.965 ( 3.400 0.285 4.576) 5.708 5.013 ( -6.980 -1.487 -8.723) 11.270 5.060 ( 0.919 0.876 -3.003) 3.261 5.117 ( 0.373 0.029 -3.179) 3.201 5.234 ( 0.821 -2.284 8.111) 8.466 5.371 ( 1.517 -8.893 5.650) 10.645 5.443 ( -2.132 -6.329 -5.724) 8.796 5.527 ( -0.994 2.831 -1.032) 3.172 5.599 ( -0.771 5.044 -9.455) 10.744 5.709 ( 2.462 -1.750 -1.927) 3.583 5.742 ( 0.012 -1.692 -1.526) 2.279 5.867 ( -1.068 0.766 1.448) 1.956 5.980 ( -4.558 1.327 3.054) 5.644 6.154 ( -3.706 -2.103 -0.091) 4.262 6.220 ( 7.480 -0.547 -2.321) 7.851 6.303 ( -4.899 -0.365 1.011) 5.015 6.411 ( -0.488 2.597 -0.758) 2.749 6.422 ( 4.841 -2.761 0.370) 5.585 6.616 ( 0.167 -3.884 5.723) 6.919 6.725 ( 4.249 -2.292 0.917) 4.914 6.797 ( 3.618 1.141 -1.022) 3.929 6.908 ( 1.598 4.350 -3.692) 5.925 7.082 ( 0.769 0.114 -5.651) 5.704 7.134 ( -0.631 1.107 -3.763) 3.973 7.581 ( -1.058 -0.601 5.927) 6.051 7.762 ( -1.528 2.121 2.984) 3.967 7.856 ( 0.930 1.271 0.482) 1.647 7.898 ( 1.081 -4.147 -0.531) 4.318 8.024 ( 0.500 -2.123 -3.556) 4.172 8.054 ( 3.348 -2.001 -1.712) 4.259 8.240 ( -1.690 -0.150 1.503) 2.267 8.296 ( 0.945 -2.308 -0.739) 2.601 8.342 ( 1.531 -3.234 -0.267) 3.588 8.435 ( -0.142 -3.725 -0.747) 3.802 8.477 ( 0.657 -4.878 1.418) 5.122 8.562 ( -4.109 0.080 2.846) 4.999 8.674 ( 3.497 -1.532 5.240) 6.483 8.722 ( -0.689 4.214 -2.742) 5.075 8.811 ( 4.266 -5.099 -1.369) 6.788 8.903 ( -5.799 5.011 2.385) 8.027 9.012 ( 0.155 0.308 3.446) 3.463 9.166 ( 4.242 4.856 -4.374) 7.791 9.250 ( 1.372 -1.346 -4.941) 5.301 9.330 ( 0.698 -3.319 9.331) 9.928 9.399 ( -3.274 2.360 -1.312) 4.244 9.555 ( -4.057 0.833 3.177) 5.220 9.812 ( -1.477 5.478 -1.054) 5.771 9.880 ( -2.451 0.753 1.103) 2.792 9.963 ( 3.240 7.259 4.785) 9.278 10.212 ( -1.067 -3.127 1.540) 3.645 10.401 ( 0.224 -2.058 -6.761) 7.071 10.663 ( 3.121 14.165 -19.282) 24.128 11.230 ( 4.791 -1.699 2.019) 5.469 11.319 ( -4.110 -1.280 1.396) 4.525 11.587 ( -6.973 0.050 0.659) 7.005 11.725 ( 2.039 2.277 0.232) 3.065 11.771 ( 2.205 -0.960 -3.914) 4.594 11.836 ( 2.317 1.221 -1.775) 3.164 11.990 ( 1.917 -1.712 1.014) 2.763 12.158 ( -2.669 0.443 3.697) 4.582 12.179 ( -4.231 1.881 0.124) 4.632 12.288 ( -4.175 -2.290 1.824) 5.100 12.315 ( 1.699 0.181 4.271) 4.600 12.483 ( 3.003 -2.497 4.022) 5.606 12.626 ( 1.535 -1.751 -3.994) 4.624 12.810 ( 0.499 -6.167 2.726) 6.761 12.885 ( 0.950 0.390 -1.619) 1.917 13.043 ( -0.645 -6.492 7.248) 9.752 13.169 ( -2.965 -7.051 -5.650) 9.509 13.439 ( 3.277 -4.295 -1.340) 5.567 13.468 ( -1.096 -2.737 0.583) 3.005 13.482 ( 4.143 -2.263 3.378) 5.805 13.652 ( -0.417 1.676 -0.394) 1.771 13.680 ( -2.704 -4.603 6.897) 8.722 13.768 ( 4.412 7.907 1.997) 9.272 13.907 ( 0.163 -1.374 -4.750) 4.947 14.060 ( 3.775 4.902 0.510) 6.208 14.282 ( -10.580 -0.640 -6.024) 12.192 14.605 ( 9.928 -2.288 4.210) 11.024 14.691 ( -1.871 1.018 4.309) 4.807 14.830 ( 18.409 -4.909 2.578) 19.225 14.975 ( -8.932 -2.222 -1.323) 9.298 15.263 ( 6.050 -5.381 0.883) 8.145 15.622 ( -0.990 3.508 -5.815) 6.863 15.912 ( -0.521 3.003 7.469) 8.067 16.358 ( 4.941 4.941 -6.040) 9.236 16.810 ( -26.143 -12.911 14.524) 32.574 17.367 ( -0.866 -0.354 0.933) 1.321 17.922 ( -7.132 3.882 -8.594) 11.823 18.206 ( 2.083 2.134 -4.464) 5.368 20.668 ( 8.998 -6.185 5.607) 12.275 20.773 ( 0.541 -4.084 -0.229) 4.126 21.097 ( 1.352 -1.907 1.537) 2.797 21.212 ( -1.051 1.256 -1.039) 1.939 21.284 ( 2.706 2.088 2.472) 4.218 21.351 ( -0.378 6.788 1.565) 6.976 21.489 ( 0.831 -0.359 0.658) 1.119 21.793 ( -2.544 -0.114 -5.784) 6.320 21.858 ( -0.607 -1.773 1.413) 2.347 22.074 ( 0.980 1.208 -2.945) 3.330 22.269 ( 4.821 -0.560 5.024) 6.986 22.387 ( -2.092 -2.869 2.013) 4.081 22.596 ( -1.385 -0.367 -5.673) 5.851 22.750 ( -1.003 1.441 -1.766) 2.490 22.910 ( -7.646 -7.783 -0.317) 10.915 23.018 ( 15.037 0.445 1.045) 15.080 23.169 ( -3.785 4.193 1.752) 5.914 23.280 ( -0.413 5.646 2.342) 6.127 23.414 ( -1.807 -0.661 -0.670) 2.038 23.472 ( -0.843 0.794 1.211) 1.676 23.559 ( -3.696 -1.154 -2.320) 4.514 23.607 ( 0.856 1.718 -0.421) 1.965 23.845 ( -0.929 -3.480 -4.381) 5.672 23.863 ( -0.550 10.347 -7.220) 12.629 24.135 ( -1.529 4.570 3.461) 5.933 24.251 ( -1.367 1.438 0.828) 2.150 24.289 ( -0.367 0.429 -1.502) 1.604 24.494 ( -1.051 10.562 -4.998) 11.732 25.629 ( 1.137 -4.253 3.547) 5.653 25.652 ( 0.567 -1.154 0.502) 1.380 ======================= Grid point 41 (19/52) ======================= q-point: ( 0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 2.658 13.481 23.836) 27.513 1.269 ( 10.473 19.569 16.602) 27.717 1.505 ( -1.011 29.315 -2.501) 29.439 1.727 ( -0.494 15.085 -0.141) 15.094 1.876 ( 10.264 19.713 10.281) 24.488 2.011 ( 6.327 9.867 -8.483) 14.469 2.083 ( -2.649 6.670 -5.197) 8.861 2.124 ( -6.987 7.725 6.617) 12.340 2.287 ( 3.671 3.317 -2.841) 5.705 2.355 ( 2.080 6.432 4.514) 8.128 2.441 ( -1.734 2.938 0.183) 3.417 2.466 ( -0.741 0.789 5.318) 5.427 2.507 ( 2.086 2.478 0.610) 3.296 2.637 ( -2.558 4.862 3.908) 6.743 2.806 ( -3.133 5.432 2.845) 6.886 2.828 ( -1.156 0.102 0.445) 1.242 2.882 ( -1.016 -0.176 -3.551) 3.698 2.900 ( 4.635 -1.475 1.286) 5.031 2.998 ( -0.517 0.174 -3.330) 3.374 3.138 ( 0.472 -5.246 -0.865) 5.338 3.200 ( 3.813 1.233 -7.828) 8.794 3.332 ( -0.319 8.118 -2.509) 8.503 3.372 ( -2.017 3.414 5.974) 7.170 3.479 ( -4.029 0.706 -0.009) 4.091 3.530 ( 0.337 3.952 0.396) 3.986 3.574 ( 0.677 0.462 5.644) 5.703 3.593 ( 1.683 -0.810 -1.395) 2.332 3.646 ( -0.154 -0.637 5.796) 5.832 3.746 ( -2.410 -0.319 -1.847) 3.054 3.875 ( -0.824 4.550 -0.554) 4.657 3.931 ( -2.872 3.299 0.849) 4.455 3.979 ( 0.160 10.068 0.025) 10.070 4.032 ( 3.440 -0.210 0.785) 3.535 4.222 ( -8.329 -1.862 2.302) 8.839 4.268 ( 2.989 5.983 -1.855) 6.940 4.310 ( -2.736 4.928 -3.158) 6.461 4.543 ( 3.291 0.744 -1.507) 3.695 4.555 ( -0.035 0.898 -1.131) 1.445 4.666 ( -9.393 1.007 2.538) 9.782 4.750 ( -0.469 2.384 -1.905) 3.088 4.835 ( 1.392 -0.250 -5.777) 5.948 4.888 ( 0.834 -5.609 0.320) 5.680 4.926 ( 2.607 -6.245 3.616) 7.673 5.028 ( -1.755 -2.230 -3.798) 4.741 5.081 ( 2.716 -2.873 -3.303) 5.152 5.202 ( 8.604 -0.738 4.953) 9.955 5.280 ( -2.252 -6.091 3.555) 7.403 5.349 ( -4.655 -9.534 2.076) 10.811 5.415 ( 3.281 -0.038 -9.629) 10.173 5.457 ( -0.056 -2.573 -4.528) 5.209 5.558 ( 1.516 5.937 -2.969) 6.809 5.693 ( -0.527 -1.079 -3.204) 3.421 5.802 ( 2.771 3.446 3.897) 5.894 5.834 ( -3.162 -0.174 -2.201) 3.857 5.933 ( -1.533 -1.268 4.785) 5.182 6.085 ( -3.801 -1.873 1.417) 4.468 6.206 ( -4.471 -0.817 -0.137) 4.547 6.264 ( -1.271 -2.506 -3.080) 4.170 6.430 ( 3.432 -0.440 -0.917) 3.580 6.517 ( 2.988 0.297 0.463) 3.038 6.617 ( -2.923 -2.679 5.793) 7.019 6.757 ( -1.659 -3.208 1.649) 3.971 6.841 ( 0.511 0.526 -0.664) 0.989 7.027 ( 8.992 -1.063 -5.200) 10.441 7.039 ( 1.353 -0.622 -6.470) 6.639 7.149 ( 5.685 -1.632 -2.347) 6.363 7.613 ( 0.187 0.129 4.495) 4.501 7.750 ( -1.733 0.844 0.784) 2.082 7.858 ( -1.100 -0.688 1.633) 2.086 7.893 ( -1.826 -3.689 -0.419) 4.138 8.014 ( 1.649 -1.325 -2.617) 3.365 8.114 ( 3.422 -3.442 -2.354) 5.394 8.212 ( -2.472 0.447 1.880) 3.137 8.327 ( -0.086 -4.833 1.351) 5.019 8.342 ( 0.070 -5.706 -2.171) 6.105 8.418 ( 1.119 -2.151 -2.594) 3.551 8.483 ( -1.101 -1.880 2.319) 3.182 8.501 ( -3.304 -3.375 0.603) 4.761 8.672 ( -5.428 -0.978 5.308) 7.654 8.737 ( -5.324 6.247 -0.090) 8.208 8.741 ( 0.519 4.792 0.260) 4.827 8.872 ( 0.276 4.088 -0.340) 4.112 9.034 ( -1.686 0.676 4.087) 4.472 9.179 ( -1.365 7.424 -4.573) 8.825 9.260 ( 1.638 0.759 -1.439) 2.309 9.351 ( 3.576 -0.424 -4.570) 5.818 9.418 ( 1.837 -1.869 6.035) 6.579 9.534 ( -2.347 0.757 5.581) 6.101 9.779 ( -1.023 4.902 -2.281) 5.503 9.861 ( -0.073 -2.013 3.214) 3.794 10.078 ( 4.170 11.904 0.468) 12.622 10.214 ( -0.179 -0.779 0.790) 1.124 10.327 ( -1.342 -2.633 -7.442) 8.007 10.567 ( -0.186 8.070 -8.681) 11.854 11.219 ( -6.964 -3.754 7.075) 10.613 11.330 ( 3.221 0.831 -0.368) 3.347 11.521 ( -0.202 4.823 -1.134) 4.959 11.758 ( 0.167 -0.067 -0.237) 0.298 11.771 ( 2.029 0.351 -4.078) 4.568 11.844 ( -0.249 0.828 -1.507) 1.738 12.019 ( 0.122 -1.187 0.127) 1.200 12.105 ( -1.847 1.434 -1.341) 2.695 12.161 ( -1.334 0.287 7.633) 7.754 12.265 ( 0.070 -3.037 3.645) 4.745 12.393 ( 2.337 1.022 2.569) 3.620 12.505 ( -1.853 -0.519 1.148) 2.241 12.601 ( -0.450 -1.224 -5.564) 5.715 12.788 ( -3.755 -5.167 2.263) 6.776 12.915 ( 5.050 0.540 -4.661) 6.894 13.057 ( -5.197 -4.785 1.224) 7.169 13.128 ( 1.521 -11.419 6.478) 13.217 13.404 ( -4.109 -6.003 -2.306) 7.631 13.497 ( -1.272 -2.668 1.588) 3.355 13.518 ( -0.587 0.814 1.839) 2.096 13.577 ( -4.076 1.441 -1.420) 4.551 13.678 ( 3.911 -1.390 -0.712) 4.212 13.841 ( -1.322 -2.852 -5.163) 6.045 13.961 ( 8.978 7.433 5.183) 12.756 14.066 ( -5.271 0.298 -8.248) 9.793 14.227 ( 8.727 5.935 1.732) 10.695 14.531 ( -12.329 -6.134 2.283) 13.958 14.626 ( -8.935 -8.333 3.176) 12.624 14.965 ( 8.595 -4.500 3.117) 10.190 15.013 ( -3.469 -7.443 1.199) 8.298 15.424 ( 4.368 1.422 -4.252) 6.260 15.584 ( 4.254 7.476 -4.468) 9.693 15.906 ( -5.698 -0.022 7.796) 9.656 16.344 ( -9.451 7.053 0.177) 11.794 16.698 ( 13.940 -1.777 3.461) 14.473 17.445 ( 5.731 -2.470 0.499) 6.261 17.773 ( -5.600 2.409 1.594) 6.301 18.214 ( 2.161 1.938 -4.102) 5.025 20.692 ( -4.675 -2.468 -1.123) 5.405 20.805 ( 0.988 -8.593 -0.223) 8.653 21.139 ( 1.425 -2.722 0.472) 3.109 21.209 ( 0.673 3.618 -0.498) 3.714 21.279 ( -0.025 2.851 0.658) 2.926 21.499 ( 0.935 -0.375 1.829) 2.088 21.528 ( 9.196 1.370 -1.106) 9.363 21.716 ( -0.140 2.134 -4.521) 5.002 21.873 ( 0.879 -1.844 2.530) 3.252 22.063 ( 0.587 1.217 -4.125) 4.341 22.311 ( -6.055 0.908 -0.423) 6.137 22.395 ( 2.567 0.829 5.741) 6.343 22.506 ( -10.320 -6.761 0.236) 12.340 22.585 ( -1.882 -2.397 -0.043) 3.048 22.866 ( -1.415 -0.386 1.647) 2.205 23.112 ( -3.681 11.747 2.064) 12.482 23.172 ( 0.059 -0.226 1.313) 1.334 23.304 ( -0.399 7.156 2.695) 7.657 23.382 ( 3.605 1.460 -5.356) 6.619 23.474 ( -1.357 -1.803 -0.183) 2.264 23.506 ( 0.703 -0.622 1.759) 1.994 23.622 ( 1.675 0.492 0.451) 1.802 23.841 ( -0.571 0.263 -3.181) 3.243 23.871 ( 5.647 -2.891 -4.900) 8.016 24.187 ( 3.301 4.449 -1.188) 5.666 24.261 ( 2.351 3.057 1.022) 3.989 24.284 ( 0.492 2.347 -0.632) 2.480 24.490 ( 2.677 4.442 -1.009) 5.283 25.640 ( -0.976 -3.242 0.889) 3.500 25.664 ( -0.049 -1.615 0.373) 1.658 ======================= Grid point 42 (20/52) ======================= q-point: ( 0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -0.968 20.590 11.934) 23.818 1.472 ( -9.592 15.347 -4.235) 18.587 1.542 ( 9.060 16.685 4.801) 19.584 1.678 ( 7.486 13.753 6.402) 16.917 1.729 ( -16.644 11.107 -2.064) 20.116 1.950 ( -0.435 6.418 -13.363) 14.831 2.109 ( 6.016 6.652 -4.040) 9.837 2.186 ( 1.339 9.057 -1.761) 9.323 2.366 ( 3.110 8.156 -1.170) 8.807 2.395 ( -2.088 3.229 1.780) 4.237 2.443 ( 0.802 6.298 0.259) 6.354 2.510 ( 1.645 2.286 -3.500) 4.492 2.571 ( -9.038 3.502 -0.066) 9.694 2.584 ( -3.035 4.364 2.010) 5.683 2.702 ( -7.141 8.525 1.160) 11.180 2.824 ( -0.630 1.195 1.497) 2.016 2.852 ( 6.817 4.198 6.919) 10.581 2.955 ( 0.376 2.247 0.149) 2.283 2.987 ( 0.645 1.096 0.021) 1.272 3.117 ( 0.416 3.215 -5.557) 6.433 3.151 ( -2.145 -4.251 0.745) 4.820 3.277 ( -3.838 8.013 -3.637) 9.600 3.398 ( 1.283 5.063 -0.949) 5.309 3.440 ( 4.232 -1.951 3.670) 5.932 3.542 ( -0.294 -2.247 5.313) 5.776 3.600 ( -0.215 -0.927 -0.187) 0.970 3.660 ( -1.974 2.958 0.177) 3.561 3.676 ( -2.226 -4.810 -4.096) 6.698 3.763 ( 4.390 1.276 6.903) 8.280 3.820 ( -5.135 3.181 -0.916) 6.110 3.911 ( 3.763 1.483 1.967) 4.498 3.981 ( 0.558 6.715 -0.298) 6.745 4.072 ( -4.321 4.646 1.459) 6.510 4.107 ( 0.879 2.764 3.132) 4.269 4.224 ( -3.055 3.037 0.055) 4.307 4.329 ( 4.962 5.789 -3.341) 8.324 4.493 ( -8.646 3.469 -2.241) 9.581 4.589 ( 0.067 -0.219 6.789) 6.793 4.634 ( 5.544 -1.392 -3.196) 6.549 4.742 ( -1.580 1.018 0.805) 2.045 4.823 ( -0.046 -2.110 -3.566) 4.143 4.838 ( 0.372 -1.785 -5.795) 6.075 4.973 ( -0.494 -0.363 4.365) 4.408 5.060 ( 4.949 -4.686 2.482) 7.253 5.119 ( 0.126 -5.955 -3.675) 6.998 5.238 ( -0.106 -9.155 0.897) 9.199 5.262 ( -2.550 -6.351 4.597) 8.244 5.362 ( 4.079 -2.539 -5.578) 7.362 5.386 ( 0.347 1.108 -4.103) 4.264 5.527 ( 2.951 2.776 2.888) 4.976 5.614 ( 7.166 1.909 0.254) 7.420 5.666 ( 0.564 -0.340 -2.584) 2.666 5.764 ( -0.007 -0.071 -5.772) 5.772 5.848 ( -2.192 3.263 5.064) 6.410 5.964 ( -0.778 -1.879 3.455) 4.009 6.032 ( -2.981 -2.623 5.031) 6.409 6.155 ( -0.386 -1.361 -1.126) 1.808 6.234 ( 0.079 -1.887 3.272) 3.778 6.470 ( 0.803 -2.840 -0.775) 3.051 6.538 ( 0.297 2.388 -1.378) 2.773 6.605 ( -3.777 -1.769 2.742) 4.991 6.700 ( -1.977 -4.031 -1.438) 4.715 6.841 ( -0.742 1.526 1.017) 1.979 6.986 ( -0.244 -1.007 -5.221) 5.323 7.120 ( 4.054 1.459 -4.518) 6.243 7.273 ( 5.640 -6.886 -1.122) 8.972 7.645 ( 0.295 1.216 0.752) 1.459 7.721 ( -0.647 -1.616 0.592) 1.838 7.837 ( -1.831 -1.393 -0.109) 2.303 7.849 ( -1.599 -1.891 -0.206) 2.486 8.015 ( 0.870 -1.182 -4.892) 5.107 8.140 ( 1.900 -6.931 -1.769) 7.401 8.199 ( -1.140 0.273 1.475) 1.884 8.262 ( -2.763 -6.247 -1.264) 6.947 8.358 ( -0.692 -4.159 0.816) 4.294 8.398 ( -0.467 -2.088 -4.683) 5.148 8.462 ( -1.013 -8.156 -0.093) 8.219 8.494 ( -2.960 3.017 7.060) 8.228 8.608 ( -1.033 5.822 -0.256) 5.918 8.650 ( -2.207 4.015 0.104) 4.583 8.776 ( 1.399 5.113 -3.438) 6.318 8.889 ( -0.131 5.898 6.494) 8.774 9.039 ( -0.321 -1.035 3.734) 3.888 9.123 ( 0.111 8.491 -5.287) 10.003 9.241 ( -2.693 4.841 0.298) 5.547 9.401 ( 1.391 0.869 0.003) 1.640 9.456 ( -0.217 -2.851 0.205) 2.866 9.535 ( -0.818 0.503 2.271) 2.466 9.780 ( 2.830 7.118 -1.101) 7.738 9.895 ( 0.302 -4.103 3.665) 5.510 10.081 ( -0.330 11.994 -6.670) 13.728 10.234 ( 1.663 6.253 4.181) 7.703 10.288 ( 0.622 -5.878 -3.609) 6.925 10.537 ( 1.319 2.682 -4.489) 5.393 11.149 ( -6.328 -2.412 8.184) 10.622 11.386 ( 2.585 1.767 0.407) 3.158 11.525 ( 1.416 3.418 -1.927) 4.171 11.735 ( -0.976 -0.701 -1.997) 2.331 11.775 ( 1.266 -0.265 -4.291) 4.482 11.818 ( -0.094 1.234 -3.274) 3.500 12.006 ( -1.599 -2.493 1.682) 3.406 12.111 ( 2.394 -1.861 0.435) 3.063 12.214 ( -0.237 -0.633 9.228) 9.253 12.319 ( 2.569 -2.031 2.109) 3.895 12.397 ( -3.221 -1.177 0.545) 3.473 12.484 ( -3.133 0.093 1.534) 3.489 12.560 ( 2.193 -0.069 -0.948) 2.390 12.758 ( -0.151 -2.297 -0.529) 2.362 12.909 ( -2.715 -8.553 -6.241) 10.931 13.036 ( 1.528 1.834 3.666) 4.375 13.172 ( -3.318 -4.999 4.071) 7.251 13.307 ( -1.030 -0.271 0.238) 1.091 13.439 ( -4.180 -1.824 -2.451) 5.178 13.475 ( -0.939 -3.998 -1.468) 4.361 13.599 ( 3.017 0.325 -2.418) 3.880 13.748 ( 3.137 -5.139 -0.807) 6.074 13.791 ( -0.577 2.658 -2.626) 3.781 13.925 ( -1.898 -4.296 -5.016) 6.872 14.147 ( 0.077 7.524 -2.571) 7.951 14.281 ( 1.260 -3.751 8.035) 8.957 14.358 ( -6.837 1.999 1.039) 7.199 14.640 ( 5.755 -4.443 3.586) 8.107 14.842 ( -8.592 -6.151 0.245) 10.569 15.159 ( 2.864 -4.651 -0.921) 5.540 15.366 ( 0.902 2.933 -4.316) 5.296 15.601 ( -2.517 14.073 -5.230) 15.223 15.915 ( 0.218 4.743 9.752) 10.846 16.194 ( -5.409 4.794 0.762) 7.267 17.048 ( 17.295 -8.147 3.119) 19.370 17.492 ( -1.400 -5.835 -1.914) 6.298 17.738 ( -1.796 0.099 7.412) 7.627 18.223 ( 1.817 1.742 -3.871) 4.617 20.613 ( -1.716 -1.141 -1.332) 2.454 20.777 ( -1.770 -8.459 -4.063) 9.549 21.157 ( 0.835 -0.332 -0.640) 1.103 21.203 ( -0.981 2.557 -0.644) 2.813 21.303 ( 0.818 2.131 1.291) 2.623 21.444 ( -1.187 4.719 -6.389) 8.031 21.675 ( 2.529 -0.165 2.073) 3.274 21.733 ( 3.397 2.313 0.587) 4.151 21.930 ( 3.135 0.109 1.328) 3.407 22.043 ( 0.308 -0.205 -1.855) 1.891 22.168 ( -7.280 1.131 -2.053) 7.648 22.332 ( -4.766 -3.384 -0.986) 5.928 22.481 ( -1.620 2.382 7.336) 7.881 22.611 ( 1.617 -5.926 2.911) 6.797 22.854 ( 1.115 -1.374 -2.134) 2.772 23.055 ( -3.572 12.915 2.571) 13.644 23.201 ( -0.087 1.745 5.477) 5.748 23.251 ( -1.818 2.603 -4.373) 5.404 23.424 ( 1.367 0.207 2.109) 2.522 23.485 ( 0.493 -0.114 -2.210) 2.267 23.531 ( 1.126 -1.220 4.121) 4.442 23.651 ( 0.097 0.118 -0.014) 0.154 23.799 ( 0.022 0.676 -4.381) 4.432 23.928 ( 3.844 -9.212 -3.915) 10.722 24.215 ( 1.230 1.690 -0.768) 2.226 24.294 ( 0.642 1.839 0.133) 1.952 24.335 ( 4.313 6.191 -0.582) 7.567 24.560 ( 3.727 2.113 2.760) 5.096 25.616 ( -1.718 -2.442 -0.547) 3.036 25.657 ( -0.534 -0.875 -0.410) 1.104 ======================= Grid point 43 (21/52) ======================= q-point: (-0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -21.516 13.835 -9.458) 27.272 1.168 ( -15.915 15.464 9.623) 24.187 1.462 ( 0.912 26.787 -3.905) 27.086 1.765 ( 5.978 5.559 -1.175) 8.247 1.906 ( 5.854 9.840 4.175) 12.187 1.964 ( 7.127 13.159 2.525) 15.177 2.014 ( -19.161 16.953 -0.260) 25.585 2.159 ( -3.802 6.419 -4.056) 8.491 2.240 ( -3.750 4.188 -1.645) 5.858 2.285 ( -5.293 8.003 -5.271) 10.948 2.411 ( 1.429 2.602 -0.638) 3.036 2.479 ( 3.338 7.923 -1.640) 8.753 2.494 ( -2.909 2.619 -3.841) 5.484 2.615 ( 4.803 4.420 0.647) 6.559 2.633 ( -1.833 5.445 1.144) 5.858 2.759 ( -3.034 0.550 0.077) 3.084 2.910 ( -2.854 6.161 -1.119) 6.882 2.987 ( 2.184 -0.574 -4.481) 5.018 3.068 ( 1.165 -2.668 0.441) 2.945 3.107 ( -0.067 0.050 1.469) 1.471 3.189 ( 2.647 1.812 -2.127) 3.849 3.237 ( 1.809 0.373 4.071) 4.471 3.466 ( 3.029 5.979 1.483) 6.865 3.498 ( -6.993 -2.057 0.709) 7.324 3.513 ( 1.887 -0.893 0.517) 2.151 3.557 ( -2.240 -3.800 0.557) 4.446 3.611 ( -2.143 -4.175 4.999) 6.856 3.657 ( 3.038 5.429 1.033) 6.306 3.720 ( -3.563 6.028 -0.374) 7.013 3.868 ( 2.650 3.208 1.643) 4.474 3.949 ( -3.403 4.600 0.575) 5.751 3.999 ( 2.806 5.757 -1.563) 6.592 4.119 ( -1.478 8.294 2.241) 8.717 4.151 ( 4.757 0.941 6.670) 8.246 4.193 ( -0.436 0.323 -0.434) 0.695 4.336 ( -2.725 5.247 -1.898) 6.209 4.451 ( 8.388 2.216 -4.296) 9.681 4.612 ( -0.193 -4.362 -5.895) 7.336 4.614 ( -1.851 -1.910 6.860) 7.358 4.737 ( 0.263 0.315 -0.123) 0.429 4.811 ( 1.871 -0.829 -3.284) 3.870 4.883 ( 2.205 0.324 1.688) 2.795 4.998 ( -2.180 -6.520 -3.612) 7.765 5.047 ( 1.046 -4.193 5.987) 7.383 5.168 ( 2.834 -0.410 0.912) 3.006 5.205 ( -5.808 -2.043 -3.080) 6.884 5.266 ( -1.785 -4.292 3.569) 5.861 5.318 ( 1.355 -4.995 -2.048) 5.566 5.478 ( 6.324 -0.408 -2.712) 6.893 5.538 ( -2.118 3.220 0.549) 3.893 5.673 ( 2.500 -3.542 -2.153) 4.841 5.743 ( 2.142 1.769 -5.636) 6.283 5.770 ( 4.310 6.788 3.505) 8.771 5.793 ( -5.477 -0.890 0.715) 5.594 5.908 ( -2.676 -2.405 4.723) 5.937 6.119 ( 3.525 -2.788 4.760) 6.546 6.191 ( 3.670 -1.059 4.532) 5.927 6.318 ( 3.785 -2.828 6.553) 8.078 6.425 ( -3.273 -3.996 -4.993) 7.184 6.492 ( -7.460 -1.616 -0.621) 7.658 6.527 ( -0.009 0.606 -2.491) 2.564 6.697 ( 0.516 -0.188 -0.425) 0.694 6.801 ( -2.532 -1.344 -3.291) 4.364 6.989 ( 4.489 2.301 -4.038) 6.461 7.120 ( -1.068 2.091 -4.023) 4.658 7.284 ( -3.300 -4.027 -0.111) 5.208 7.610 ( -3.042 0.748 0.397) 3.158 7.763 ( 2.833 -2.009 1.225) 3.682 7.800 ( -0.896 -2.227 -1.643) 2.909 7.861 ( 1.981 -3.337 1.417) 4.131 8.006 ( 3.255 -0.504 -5.799) 6.669 8.070 ( -5.105 0.991 -4.819) 7.090 8.229 ( 3.285 -6.631 2.439) 7.792 8.274 ( 2.365 -4.877 -0.981) 5.508 8.333 ( -2.593 -3.895 3.629) 5.921 8.354 ( -0.467 0.333 -4.253) 4.291 8.446 ( -2.358 -3.809 2.980) 5.380 8.478 ( -0.814 -0.424 2.390) 2.560 8.613 ( -1.180 3.727 2.121) 4.448 8.660 ( 4.269 0.889 -2.563) 5.058 8.762 ( 1.169 6.260 -5.174) 8.205 8.941 ( -0.595 2.168 7.604) 7.930 9.063 ( -0.006 1.141 1.091) 1.579 9.108 ( 0.681 6.019 -2.040) 6.392 9.197 ( -1.300 4.292 0.976) 4.590 9.394 ( -1.247 3.407 1.244) 3.836 9.420 ( -2.032 -1.095 -3.004) 3.788 9.550 ( 0.247 -0.302 1.839) 1.880 9.816 ( 0.391 7.684 1.230) 7.791 9.935 ( 0.643 -4.919 3.565) 6.108 10.028 ( -0.693 10.035 -4.721) 11.111 10.268 ( -0.052 -0.945 -2.192) 2.388 10.335 ( 6.322 4.644 0.358) 7.853 10.532 ( 2.423 3.563 -4.805) 6.454 11.110 ( -4.297 -1.810 8.048) 9.301 11.417 ( 0.100 2.398 0.232) 2.411 11.553 ( 3.090 0.445 -0.643) 3.187 11.705 ( -0.409 0.337 -1.896) 1.969 11.771 ( 2.590 -1.062 -6.052) 6.668 11.799 ( 0.974 1.131 -3.578) 3.877 11.989 ( -2.400 -4.342 3.435) 6.035 12.176 ( 2.736 -3.369 2.855) 5.195 12.257 ( -2.334 -2.875 6.748) 7.698 12.326 ( -4.812 -2.630 1.804) 5.772 12.359 ( -1.040 -0.079 1.720) 2.012 12.419 ( -1.052 -0.290 -0.265) 1.123 12.675 ( 6.359 -2.289 4.188) 7.951 12.749 ( -1.862 -1.836 -5.233) 5.850 12.804 ( -0.018 -7.126 -5.536) 9.024 13.043 ( -4.184 6.790 3.899) 8.877 13.151 ( 0.787 -3.578 4.992) 6.192 13.333 ( -2.167 0.167 -3.419) 4.052 13.398 ( 5.400 -1.811 1.015) 5.785 13.455 ( 0.476 -2.659 -3.440) 4.373 13.575 ( -1.435 -2.704 -6.522) 7.205 13.744 ( -3.315 -2.192 -0.107) 3.976 13.812 ( 3.453 -3.678 -1.035) 5.150 13.889 ( -0.871 0.732 -1.039) 1.541 14.083 ( 0.376 3.728 0.391) 3.767 14.240 ( -3.216 2.140 -2.898) 4.829 14.451 ( 1.494 -1.692 9.275) 9.546 14.609 ( -3.798 4.036 1.562) 5.757 14.895 ( 4.558 -7.035 1.778) 8.569 15.011 ( -6.964 -2.178 -6.070) 9.491 15.446 ( -6.707 9.325 -5.500) 12.736 15.498 ( 8.096 2.551 -0.572) 8.507 15.939 ( -5.409 9.610 7.339) 13.247 16.208 ( 5.692 2.199 1.003) 6.184 17.257 ( -4.117 -16.365 4.418) 17.444 17.449 ( 2.531 -5.244 1.829) 6.103 17.803 ( 4.172 0.821 6.441) 7.718 18.222 ( 1.142 1.658 -3.912) 4.400 20.624 ( 3.494 -1.602 -0.464) 3.872 20.682 ( -3.912 -7.437 -7.672) 11.378 21.151 ( -1.958 -0.300 -1.004) 2.221 21.180 ( 0.731 4.007 -1.168) 4.237 21.296 ( -2.211 1.415 0.812) 2.748 21.412 ( 1.408 5.598 -3.819) 6.921 21.654 ( -5.145 0.095 1.629) 5.398 21.815 ( 3.081 1.712 1.799) 3.957 21.931 ( -3.659 -1.393 0.130) 3.917 22.063 ( 0.748 0.883 -4.050) 4.212 22.120 ( 5.745 2.935 2.835) 7.047 22.250 ( -2.132 -2.833 -3.071) 4.691 22.502 ( -0.430 4.169 5.762) 7.125 22.662 ( 1.332 -2.813 2.691) 4.115 22.852 ( -1.476 -1.418 0.348) 2.076 23.045 ( 0.751 8.476 0.099) 8.510 23.159 ( -0.753 4.847 -3.210) 5.862 23.292 ( 0.631 -0.807 8.848) 8.907 23.441 ( -1.716 -0.460 -3.005) 3.491 23.463 ( 0.036 1.222 2.536) 2.815 23.584 ( 0.854 -2.126 3.167) 3.909 23.617 ( -2.091 -0.335 -1.770) 2.760 23.800 ( 3.033 0.173 -4.178) 5.166 23.957 ( 2.306 -11.944 -3.411) 12.634 24.227 ( 0.343 1.236 -0.340) 1.327 24.300 ( -0.397 0.695 0.316) 0.861 24.388 ( 1.449 5.932 -0.643) 6.140 24.646 ( 2.526 1.218 2.126) 3.519 25.574 ( -1.996 -1.006 -0.600) 2.314 25.645 ( -0.224 -0.750 -0.636) 1.009 ======================= Grid point 44 (22/52) ======================= q-point: (-0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -10.308 19.785 9.110) 24.098 0.961 ( -13.258 20.563 17.051) 29.822 1.477 ( -24.640 29.262 13.624) 40.608 1.585 ( 4.479 26.763 1.110) 27.158 1.911 ( 3.683 8.550 -6.668) 11.452 1.948 ( -2.800 9.811 -1.921) 10.382 2.002 ( -1.609 11.532 0.572) 11.658 2.139 ( 3.129 7.157 -0.040) 7.812 2.226 ( 4.772 5.755 -0.961) 7.538 2.301 ( 3.238 0.353 1.758) 3.701 2.380 ( -1.887 5.173 -2.654) 6.112 2.427 ( 0.581 1.699 -3.517) 3.949 2.568 ( 2.891 5.309 0.099) 6.045 2.619 ( 1.064 0.019 2.319) 2.551 2.725 ( 2.243 5.295 2.575) 6.301 2.744 ( 2.117 2.709 0.962) 3.570 2.840 ( -2.992 3.719 -0.276) 4.781 2.987 ( 1.362 0.777 -4.440) 4.709 3.044 ( -1.645 -6.523 -0.243) 6.732 3.129 ( -0.206 1.639 0.394) 1.698 3.185 ( 1.030 0.464 -2.249) 2.517 3.286 ( -0.567 0.805 5.045) 5.140 3.377 ( -5.687 0.290 0.939) 5.771 3.465 ( -0.932 -2.974 0.443) 3.148 3.530 ( 0.047 3.891 -0.442) 3.916 3.561 ( 1.356 -2.961 0.101) 3.258 3.656 ( -2.042 9.078 0.589) 9.323 3.693 ( 2.787 -3.021 6.464) 7.660 3.792 ( 7.246 6.815 4.490) 10.913 3.821 ( -5.479 1.910 -1.665) 6.036 3.922 ( -1.872 6.500 -0.797) 6.811 3.972 ( -2.852 8.809 -2.213) 9.520 4.024 ( -5.929 2.545 0.040) 6.453 4.217 ( 2.994 7.932 1.467) 8.604 4.303 ( 7.050 -3.892 -4.532) 9.241 4.367 ( 3.724 -0.794 3.060) 4.884 4.500 ( 0.963 -0.028 -3.584) 3.711 4.614 ( 1.468 -0.290 -1.496) 2.116 4.699 ( 1.104 -1.270 -4.371) 4.684 4.731 ( 6.492 -1.673 7.311) 9.919 4.805 ( -3.069 -1.035 -1.424) 3.538 4.919 ( 0.440 -2.933 0.445) 2.999 4.941 ( -0.469 -2.041 -0.402) 2.132 5.046 ( -2.635 -0.304 1.043) 2.850 5.174 ( -2.718 1.873 -2.282) 4.013 5.190 ( 0.563 -6.669 5.518) 8.674 5.232 ( -4.411 0.888 -6.972) 8.298 5.275 ( -0.545 -4.405 5.146) 6.796 5.499 ( -0.501 -3.872 -0.639) 3.957 5.564 ( 1.333 3.136 -2.903) 4.476 5.610 ( -1.843 -2.228 -1.212) 3.135 5.726 ( 0.207 0.649 -8.024) 8.053 5.763 ( 1.460 0.593 -1.501) 2.176 5.860 ( 1.017 4.469 4.117) 6.161 5.949 ( 1.975 -0.056 5.533) 5.875 6.193 ( -0.038 -3.044 -0.722) 3.129 6.236 ( -5.147 -1.301 -3.110) 6.153 6.306 ( 3.540 -0.388 4.395) 5.657 6.366 ( -5.011 -0.549 0.484) 5.064 6.475 ( -0.567 -0.459 0.474) 0.870 6.513 ( 4.733 -3.253 1.684) 5.985 6.679 ( -0.292 -0.169 -1.959) 1.987 6.760 ( 1.337 -1.269 -2.467) 3.080 7.007 ( -5.636 7.209 -3.884) 9.941 7.064 ( 5.084 -0.171 -6.418) 8.189 7.203 ( -4.526 0.777 0.063) 4.593 7.574 ( -2.245 -0.362 3.752) 4.387 7.775 ( -1.233 -1.365 1.178) 2.184 7.820 ( 2.253 -0.428 -0.143) 2.298 7.889 ( 0.341 -1.917 -0.925) 2.156 8.002 ( 1.796 -0.664 -2.698) 3.309 8.041 ( 2.884 -1.538 -3.845) 5.046 8.269 ( -1.237 -2.905 -0.688) 3.231 8.286 ( -0.589 -2.652 3.157) 4.165 8.322 ( 1.174 0.572 -2.017) 2.403 8.386 ( 4.999 -5.532 -0.311) 7.462 8.452 ( 0.350 -3.497 3.434) 4.914 8.519 ( 3.153 -3.667 7.192) 8.667 8.600 ( -2.654 1.240 3.749) 4.758 8.729 ( 5.613 -1.346 -4.365) 7.237 8.747 ( 1.194 6.390 -5.065) 8.241 8.959 ( -3.233 3.256 5.759) 7.364 9.033 ( -3.610 0.797 1.801) 4.112 9.118 ( 3.950 3.739 -4.804) 7.256 9.233 ( 2.184 -1.869 4.096) 5.004 9.329 ( -3.738 1.755 -3.195) 5.221 9.416 ( 0.199 2.563 2.236) 3.407 9.570 ( 0.548 0.301 2.504) 2.581 9.830 ( 0.416 8.182 0.768) 8.228 9.919 ( -5.257 -2.845 3.641) 6.999 9.978 ( -2.613 7.380 -1.214) 7.923 10.238 ( -1.831 -4.167 -0.761) 4.615 10.414 ( 2.575 -0.954 -3.802) 4.690 10.624 ( 14.105 15.052 -14.648) 25.299 11.121 ( -0.410 -0.449 9.320) 9.339 11.388 ( -2.277 -0.268 -2.136) 3.134 11.630 ( 3.472 -1.234 1.845) 4.121 11.697 ( 1.036 2.352 -1.286) 2.874 11.775 ( 1.376 -1.656 -5.477) 5.885 11.802 ( 1.947 -0.342 -2.446) 3.145 11.971 ( -1.709 -5.741 3.006) 6.701 12.206 ( -4.850 -3.164 1.153) 5.904 12.238 ( 0.719 -1.330 1.258) 1.967 12.254 ( -3.300 -1.692 3.557) 5.139 12.364 ( -0.054 -1.347 4.207) 4.418 12.414 ( -1.953 -0.478 1.084) 2.284 12.636 ( -2.661 -1.700 -2.177) 3.836 12.773 ( 0.497 -6.026 4.867) 7.762 12.851 ( 5.063 0.046 -4.053) 6.486 13.026 ( -1.569 1.510 6.102) 6.479 13.220 ( 3.023 -8.871 -4.975) 10.610 13.320 ( 4.283 7.398 5.984) 10.434 13.426 ( -0.089 -2.126 -4.527) 5.002 13.493 ( 1.041 -0.837 -3.129) 3.402 13.544 ( 2.672 -3.512 7.224) 8.466 13.672 ( -2.213 -1.883 -0.753) 3.001 13.826 ( -3.749 -1.750 0.612) 4.182 13.882 ( 2.726 1.433 -3.418) 4.601 14.100 ( -2.945 4.715 2.107) 5.945 14.277 ( 10.197 4.837 1.424) 11.376 14.431 ( 0.290 4.238 -0.568) 4.286 14.692 ( 0.288 -1.195 5.089) 5.236 14.696 ( -7.627 -0.374 -4.186) 8.708 15.088 ( 2.547 -1.383 3.804) 4.782 15.256 ( -5.875 0.026 -6.627) 8.856 15.628 ( 4.421 3.841 -1.473) 6.039 15.888 ( -3.365 4.459 5.094) 7.560 16.320 ( 3.561 4.966 1.170) 6.222 17.091 ( -11.447 -18.318 0.747) 21.613 17.460 ( -8.398 -9.253 8.908) 15.346 17.985 ( 8.759 -2.480 -2.159) 9.356 18.209 ( 0.938 1.862 -4.463) 4.926 20.555 ( -2.414 -1.864 -2.612) 4.016 20.713 ( 5.227 -3.118 0.086) 6.087 21.101 ( -1.990 -0.043 -0.324) 2.017 21.208 ( 2.369 4.361 0.735) 5.017 21.253 ( -2.487 0.889 -0.134) 2.644 21.406 ( -1.282 5.419 -0.305) 5.577 21.533 ( -6.972 -0.350 0.744) 7.021 21.852 ( 0.205 0.027 -1.538) 1.552 21.872 ( -2.385 -1.857 0.764) 3.118 22.070 ( 1.712 1.442 -2.138) 3.096 22.185 ( 1.391 -1.961 0.013) 2.404 22.327 ( 7.756 0.458 1.762) 7.967 22.579 ( 6.401 6.153 2.733) 9.290 22.687 ( 0.500 1.567 -0.685) 1.782 22.830 ( -0.067 0.649 3.342) 3.405 23.032 ( -0.801 0.582 -4.377) 4.488 23.174 ( 0.544 5.546 3.909) 6.807 23.329 ( -2.770 0.333 -1.608) 3.220 23.390 ( -0.310 -2.651 3.850) 4.685 23.492 ( -0.069 1.475 2.870) 3.227 23.579 ( 0.037 -0.304 -1.578) 1.607 23.600 ( -0.665 -2.541 0.973) 2.801 23.831 ( 3.241 0.154 -3.955) 5.116 23.962 ( 0.863 -11.410 -4.593) 12.330 24.213 ( -2.109 1.901 -0.964) 2.998 24.284 ( -1.661 0.493 0.605) 1.835 24.358 ( -4.180 2.160 -2.574) 5.363 24.614 ( -4.919 6.815 -7.198) 11.065 25.565 ( 0.639 -0.783 4.169) 4.290 25.643 ( 0.328 -0.904 -0.186) 0.980 ======================= Grid point 45 (23/52) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -7.105 16.240 21.473) 27.844 1.328 ( 6.804 18.585 21.291) 29.069 1.988 ( 0.007 4.831 1.465) 5.048 2.043 ( 0.751 6.823 -2.817) 7.420 2.144 ( 6.690 15.333 4.048) 17.212 2.221 ( 1.486 6.912 4.916) 8.611 2.254 ( -0.089 13.641 3.498) 14.083 2.325 ( -2.887 7.561 0.332) 8.100 2.383 ( 2.192 13.621 1.879) 13.924 2.455 ( 3.839 11.249 -0.030) 11.886 2.473 ( 4.618 3.130 2.724) 6.208 2.572 ( -2.760 1.189 -4.522) 5.430 2.619 ( 0.346 10.943 2.337) 11.195 2.683 ( -1.335 2.101 -1.262) 2.791 2.777 ( 1.928 -1.718 -4.107) 4.852 2.835 ( -3.448 4.994 -1.011) 6.152 2.914 ( -0.344 -1.350 3.679) 3.934 2.957 ( 0.150 3.046 1.995) 3.644 2.995 ( -2.108 1.217 -0.945) 2.611 3.169 ( -0.409 4.964 -0.584) 5.015 3.207 ( 2.896 4.315 -1.038) 5.300 3.270 ( 4.502 -3.259 3.067) 6.348 3.398 ( 1.824 -1.782 6.679) 7.149 3.491 ( -0.432 4.123 -0.586) 4.187 3.565 ( 0.740 0.952 1.911) 2.260 3.636 ( -4.785 3.733 -3.149) 6.837 3.641 ( -4.411 -1.419 6.097) 7.658 3.798 ( 0.454 1.412 -2.585) 2.981 3.827 ( -1.429 8.695 -6.537) 10.972 3.970 ( -1.401 8.412 2.323) 8.838 4.030 ( 3.522 4.478 1.184) 5.819 4.100 ( 0.802 1.559 0.598) 1.852 4.164 ( -1.085 6.889 0.472) 6.990 4.312 ( -3.298 4.365 1.776) 5.752 4.350 ( 1.452 3.573 -4.521) 5.942 4.458 ( -0.213 2.943 -3.190) 4.345 4.512 ( 7.087 2.725 -4.071) 8.616 4.564 ( -3.048 -0.339 -3.771) 4.860 4.652 ( -0.454 -4.455 -1.117) 4.615 4.721 ( 2.848 -3.731 -0.541) 4.725 4.766 ( 3.039 -3.713 1.311) 4.974 4.879 ( -2.370 3.802 4.393) 6.274 4.965 ( 4.841 -3.753 -0.785) 6.175 5.020 ( -5.840 2.071 -0.859) 6.255 5.079 ( -0.467 2.098 -0.286) 2.168 5.139 ( -1.145 0.315 -3.234) 3.445 5.152 ( -3.450 -3.042 -1.404) 4.809 5.267 ( -2.150 -0.373 4.172) 4.708 5.367 ( -0.065 -1.302 -1.660) 2.111 5.533 ( 1.869 -1.747 1.086) 2.779 5.585 ( -4.902 -4.025 -12.473) 13.993 5.717 ( 0.275 2.139 -2.723) 3.474 5.800 ( 3.482 6.414 -1.962) 7.557 5.904 ( -0.368 1.500 -0.399) 1.595 5.992 ( -3.608 0.712 -0.414) 3.701 6.140 ( -3.575 -0.159 1.895) 4.049 6.181 ( 1.788 -4.089 -5.780) 7.303 6.292 ( -5.101 -0.632 3.398) 6.161 6.363 ( 0.365 -2.616 1.435) 3.006 6.393 ( 4.484 -3.993 1.555) 6.203 6.566 ( -1.410 -0.867 8.931) 9.083 6.658 ( 3.615 -3.599 1.704) 5.378 6.781 ( 2.550 -1.800 0.338) 3.140 6.880 ( -2.355 -3.633 -2.528) 5.014 7.042 ( 1.015 -4.402 -6.285) 7.740 7.156 ( -1.531 -0.667 -3.743) 4.098 7.574 ( -1.865 -0.320 6.323) 6.600 7.765 ( 0.501 -1.170 2.159) 2.507 7.790 ( -1.928 -4.342 -1.513) 4.986 7.850 ( 1.596 -3.314 0.540) 3.718 7.995 ( 0.943 -0.190 -3.774) 3.895 8.016 ( 5.595 -2.141 1.457) 6.165 8.181 ( 1.131 -6.041 -3.912) 7.286 8.206 ( 1.536 -7.779 -4.640) 9.186 8.278 ( -3.331 0.669 0.051) 3.398 8.372 ( -0.928 -0.620 2.854) 3.065 8.434 ( -2.076 -1.844 4.363) 5.171 8.553 ( -2.735 -0.098 2.063) 3.427 8.595 ( 0.091 -2.476 8.426) 8.783 8.755 ( 4.606 -2.276 -2.407) 5.673 8.785 ( 4.835 0.076 1.273) 5.001 9.007 ( -5.442 3.240 7.190) 9.581 9.060 ( 1.189 3.947 -3.844) 5.636 9.182 ( 3.247 -1.404 -5.944) 6.917 9.268 ( 0.709 -0.983 8.934) 9.016 9.298 ( -1.652 2.226 -0.200) 2.779 9.474 ( -2.735 5.276 -1.244) 6.071 9.624 ( -1.396 5.874 2.686) 6.608 9.852 ( -1.258 -0.314 -1.116) 1.711 9.985 ( -4.192 6.612 -4.365) 8.964 10.055 ( 3.554 -0.873 0.461) 3.689 10.231 ( 2.769 6.148 4.111) 7.897 10.393 ( 1.066 2.674 -6.421) 7.037 10.827 ( 2.857 1.982 -15.495) 15.881 11.168 ( -0.981 -2.972 6.681) 7.378 11.310 ( -2.147 -0.448 2.612) 3.411 11.532 ( -1.757 -3.796 2.577) 4.913 11.758 ( 0.920 0.250 -0.073) 0.956 11.777 ( 1.884 0.703 -2.098) 2.907 11.880 ( 1.560 3.417 -1.331) 3.985 11.985 ( 3.641 1.091 -3.981) 5.504 12.154 ( 0.028 -1.102 1.483) 1.848 12.204 ( -3.981 0.819 2.984) 5.042 12.243 ( -1.420 -1.239 -1.580) 2.459 12.322 ( 1.260 -0.586 1.978) 2.417 12.452 ( 2.752 1.279 5.262) 6.074 12.611 ( 0.656 -2.466 0.097) 2.553 12.679 ( -3.380 -2.768 4.024) 5.940 12.882 ( 0.761 -2.349 -2.847) 3.768 12.951 ( 1.243 -1.548 -1.249) 2.346 13.090 ( -2.455 -1.562 -3.127) 4.271 13.313 ( -1.097 -6.099 -3.700) 7.217 13.410 ( 0.948 -2.668 0.516) 2.878 13.441 ( -2.100 -1.180 5.597) 6.093 13.611 ( 0.287 -1.469 7.580) 7.726 13.638 ( -1.021 -2.211 -3.916) 4.612 13.819 ( 3.569 -3.947 2.031) 5.696 13.940 ( 1.736 4.654 2.624) 5.618 14.182 ( 3.348 2.919 -1.078) 4.571 14.263 ( -5.788 1.346 0.096) 5.944 14.570 ( -5.261 -1.940 -2.405) 6.101 14.672 ( 0.867 -2.435 -0.579) 2.649 14.753 ( 8.563 -2.174 1.117) 8.905 14.983 ( -12.634 2.008 -4.563) 13.582 15.219 ( 13.327 1.379 5.567) 14.508 15.680 ( -3.183 1.046 -2.288) 4.057 16.004 ( 0.748 5.658 2.563) 6.257 16.385 ( 0.714 -2.154 -5.594) 6.037 16.659 ( -6.834 -3.121 10.726) 13.095 17.338 ( 1.328 -2.011 -1.977) 3.117 17.916 ( -3.436 -2.176 -3.325) 5.253 18.255 ( 2.004 2.257 -4.725) 5.606 20.575 ( 3.220 -3.035 4.499) 6.310 20.686 ( 0.035 -3.598 0.066) 3.599 21.081 ( -0.669 -0.083 1.437) 1.587 21.238 ( 1.635 0.727 -2.123) 2.777 21.362 ( 1.927 4.534 3.422) 5.999 21.504 ( -3.451 7.241 0.055) 8.022 21.515 ( 2.772 2.332 -0.205) 3.628 21.771 ( -1.143 -1.665 -4.231) 4.688 21.838 ( -0.746 -0.272 0.370) 0.876 22.080 ( -0.436 -0.128 -1.221) 1.303 22.235 ( 3.139 -3.474 6.139) 7.721 22.312 ( 0.944 -3.095 1.047) 3.401 22.592 ( -7.583 -0.450 -5.417) 9.330 22.738 ( -8.971 -2.611 -9.279) 13.168 22.821 ( 3.793 0.555 4.890) 6.213 23.015 ( 9.182 -0.913 2.866) 9.662 23.253 ( 0.127 3.106 0.983) 3.260 23.335 ( -0.077 -1.532 2.429) 2.873 23.409 ( 0.591 0.574 2.042) 2.202 23.453 ( -0.498 -0.081 -1.165) 1.270 23.563 ( -0.951 0.699 -0.460) 1.267 23.646 ( -0.839 1.299 -1.254) 1.991 23.721 ( 2.281 -5.101 0.726) 5.635 24.033 ( 5.111 6.025 -7.602) 10.964 24.218 ( -1.707 1.839 -0.245) 2.521 24.276 ( 0.479 -0.661 -1.754) 1.934 24.326 ( -4.283 5.788 5.606) 9.125 24.729 ( -2.205 9.527 -5.604) 11.271 25.571 ( -0.084 -1.516 2.696) 3.094 25.626 ( 0.367 -1.241 0.237) 1.315 ======================= Grid point 46 (24/52) ======================= q-point: ( 0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 2.809 14.809 20.448) 25.404 1.616 ( 8.200 14.814 14.556) 22.329 1.961 ( -3.258 10.894 -3.004) 11.761 2.054 ( -5.064 6.380 4.738) 9.423 2.163 ( -1.152 7.041 -4.325) 8.343 2.207 ( -2.273 4.777 -2.539) 5.868 2.290 ( -4.179 12.966 2.209) 13.800 2.371 ( 2.519 9.305 -1.275) 9.724 2.441 ( 0.736 9.908 -3.070) 10.399 2.469 ( 2.010 4.843 0.039) 5.244 2.526 ( 2.672 8.115 5.931) 10.400 2.606 ( 5.833 9.352 4.780) 12.014 2.622 ( 0.396 10.860 2.535) 11.159 2.712 ( 3.265 -1.428 1.503) 3.868 2.784 ( 1.674 1.219 -0.483) 2.126 2.812 ( 0.043 3.333 -0.771) 3.422 2.903 ( -1.536 0.588 -3.620) 3.976 2.956 ( 1.388 1.645 3.028) 3.715 2.998 ( -0.489 -3.348 0.868) 3.493 3.128 ( -1.752 5.353 0.115) 5.633 3.242 ( 0.436 4.714 1.327) 4.917 3.424 ( -1.735 1.933 -0.176) 2.603 3.427 ( 7.881 1.707 -1.688) 8.239 3.530 ( 1.117 2.238 -0.228) 2.512 3.553 ( -3.216 -0.454 3.040) 4.449 3.593 ( 4.939 4.169 6.733) 9.333 3.651 ( 2.408 1.157 1.476) 3.052 3.746 ( -1.845 7.969 -4.529) 9.350 3.809 ( -1.147 3.817 -0.934) 4.094 3.909 ( -5.134 0.408 2.034) 5.538 3.989 ( -6.808 5.396 -4.757) 9.904 4.114 ( 1.816 2.516 -2.157) 3.779 4.160 ( -1.373 4.160 3.860) 5.839 4.216 ( -5.975 5.584 -0.154) 8.180 4.384 ( 1.725 6.575 2.029) 7.094 4.470 ( 4.470 1.682 -7.648) 9.016 4.496 ( -1.191 3.288 -1.605) 3.848 4.609 ( 4.078 1.994 1.789) 4.879 4.662 ( -0.206 -3.184 4.282) 5.340 4.756 ( 1.759 -4.215 -1.826) 4.919 4.776 ( -3.435 -1.201 -7.033) 7.918 4.833 ( -0.410 3.976 1.038) 4.130 4.935 ( 0.119 4.330 3.004) 5.272 4.988 ( -0.697 -1.138 -7.448) 7.567 5.060 ( -3.813 0.056 -4.449) 5.859 5.117 ( -2.171 -6.702 4.058) 8.130 5.172 ( 5.320 -1.747 2.444) 6.110 5.198 ( -3.718 -2.375 7.339) 8.563 5.378 ( -1.215 -3.101 -11.804) 12.265 5.439 ( 6.374 -1.690 -4.293) 7.869 5.601 ( 1.378 -3.756 -1.371) 4.229 5.680 ( -1.155 4.894 -1.650) 5.292 5.858 ( 1.718 0.887 0.330) 1.961 5.879 ( -1.797 1.189 -0.104) 2.157 5.937 ( -0.136 4.135 -0.025) 4.137 6.065 ( -5.469 -1.198 2.492) 6.128 6.140 ( -3.229 -5.357 -2.824) 6.863 6.237 ( -2.485 0.178 1.135) 2.737 6.382 ( 1.165 -3.309 0.393) 3.530 6.494 ( 3.035 -2.520 2.769) 4.820 6.576 ( -1.728 -1.800 5.823) 6.335 6.688 ( -3.375 -4.030 1.655) 5.511 6.795 ( 0.035 -4.166 1.283) 4.359 6.910 ( 6.546 -6.241 -2.611) 9.414 7.010 ( -0.425 -3.293 -5.153) 6.130 7.167 ( 5.059 1.244 -2.935) 5.979 7.597 ( 0.273 -2.851 3.958) 4.885 7.720 ( -3.189 -1.808 -0.734) 3.738 7.798 ( 0.490 -1.738 2.084) 2.757 7.870 ( -1.075 -1.544 1.819) 2.617 7.990 ( 0.676 -0.363 -2.552) 2.665 8.044 ( -2.476 -3.594 -2.787) 5.178 8.191 ( 1.595 -7.504 -2.983) 8.232 8.201 ( -1.204 -3.466 2.841) 4.640 8.231 ( 0.610 -3.988 -4.852) 6.311 8.300 ( -4.574 -5.039 0.411) 6.818 8.461 ( -0.966 0.385 4.861) 4.971 8.500 ( -2.824 0.324 2.189) 3.588 8.634 ( -0.650 -1.057 6.593) 6.709 8.799 ( 1.285 1.414 -2.614) 3.238 8.869 ( 1.029 3.922 0.272) 4.064 8.986 ( -1.793 4.847 7.392) 9.019 9.052 ( -2.207 1.289 0.213) 2.565 9.208 ( 5.360 -1.479 -5.543) 7.851 9.307 ( 1.862 -0.490 3.247) 3.775 9.355 ( 1.865 1.947 0.093) 2.697 9.440 ( 1.391 3.164 -0.288) 3.468 9.628 ( -0.486 8.168 3.009) 8.718 9.789 ( -4.680 -1.326 -1.034) 4.973 9.927 ( 1.712 4.716 -2.537) 5.622 10.128 ( 3.399 -1.894 0.285) 3.901 10.300 ( 1.293 1.125 -3.938) 4.295 10.366 ( 2.012 9.886 -1.878) 10.262 10.719 ( -2.144 4.942 -11.662) 12.846 11.160 ( -5.587 -1.800 9.283) 10.983 11.335 ( 2.580 -0.656 1.124) 2.889 11.553 ( 2.290 -1.329 0.127) 2.650 11.736 ( -1.289 -1.219 -2.537) 3.096 11.810 ( 1.954 1.259 -0.753) 2.443 11.864 ( -2.128 2.167 -0.173) 3.041 12.009 ( 1.532 0.358 -3.317) 3.671 12.119 ( -5.403 0.335 -2.246) 5.860 12.163 ( -0.793 -0.202 2.921) 3.034 12.218 ( 0.768 -1.076 4.271) 4.471 12.374 ( 0.430 -3.457 -0.481) 3.517 12.527 ( 0.577 3.967 5.959) 7.182 12.612 ( -1.479 1.229 -3.035) 3.593 12.651 ( 0.153 -6.415 2.108) 6.755 12.867 ( 0.707 -3.897 -4.877) 6.283 13.008 ( 3.594 1.286 -1.241) 4.014 13.021 ( -2.140 -1.308 4.646) 5.280 13.262 ( -1.273 -6.307 -2.744) 6.995 13.404 ( -3.589 -4.182 2.881) 6.219 13.476 ( 4.434 -3.647 0.224) 5.746 13.611 ( -0.075 -3.917 -0.800) 3.999 13.639 ( -4.955 1.519 5.697) 7.702 13.766 ( -3.423 -3.438 -4.037) 6.311 14.048 ( 3.405 -0.149 10.368) 10.914 14.104 ( -8.011 3.143 -7.426) 11.366 14.340 ( 9.858 2.351 2.293) 10.390 14.382 ( -8.131 -0.975 -0.909) 8.239 14.592 ( -7.722 -1.664 -3.008) 8.453 14.841 ( -0.696 -2.246 1.699) 2.900 14.939 ( 6.393 -2.828 0.411) 7.003 15.462 ( 2.603 2.325 -2.705) 4.416 15.681 ( 11.615 1.113 2.535) 11.941 15.976 ( -5.089 5.995 -0.983) 7.925 16.414 ( 1.003 0.244 -0.527) 1.159 16.663 ( 3.405 -1.418 6.547) 7.515 17.367 ( 3.379 -4.362 -5.105) 7.517 17.798 ( -6.911 0.313 2.189) 7.256 18.259 ( 2.083 2.096 -4.466) 5.356 20.633 ( -1.413 -3.283 0.939) 3.696 20.654 ( -1.734 -4.570 0.956) 4.981 21.105 ( 1.765 -0.722 1.040) 2.172 21.282 ( 3.641 1.459 -1.522) 4.207 21.378 ( -2.486 7.531 0.941) 7.986 21.523 ( 2.993 1.825 1.446) 3.792 21.579 ( 4.924 2.973 -0.209) 5.755 21.738 ( 1.750 0.347 -3.948) 4.333 21.854 ( 1.376 -0.358 3.069) 3.383 22.056 ( -0.484 -1.537 -3.254) 3.631 22.266 ( -2.351 -6.943 4.129) 8.413 22.362 ( -8.985 -2.568 -1.837) 9.524 22.409 ( 1.800 0.050 1.904) 2.621 22.572 ( -3.396 0.137 -2.724) 4.355 22.867 ( -0.721 1.640 1.118) 2.112 23.159 ( 4.096 -1.278 -1.496) 4.544 23.268 ( 2.096 1.347 1.712) 3.023 23.352 ( 0.322 0.636 -1.050) 1.269 23.413 ( -1.796 -2.996 1.680) 3.876 23.473 ( 0.795 3.999 2.433) 4.748 23.532 ( -1.505 2.470 -1.029) 3.069 23.599 ( -1.058 -3.045 -0.910) 3.350 23.780 ( 2.010 -0.867 1.399) 2.597 23.952 ( -3.816 6.059 -8.105) 10.815 24.223 ( 1.276 0.670 -0.757) 1.628 24.260 ( 0.763 -0.726 -0.931) 1.406 24.407 ( 4.257 5.933 5.700) 9.263 24.656 ( -0.762 8.816 -4.252) 9.817 25.581 ( -0.663 -1.959 1.632) 2.635 25.634 ( 0.200 -1.332 0.228) 1.366 ======================= Grid point 47 (25/52) ======================= q-point: ( 0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 2.741 13.069 13.478) 18.973 1.773 ( -8.310 12.763 -1.123) 15.272 1.790 ( -7.507 7.620 7.618) 13.132 1.963 ( -0.950 13.710 -1.779) 13.857 2.074 ( 0.472 5.388 -7.633) 9.355 2.148 ( -2.964 15.768 -7.159) 17.569 2.245 ( 1.587 5.113 2.952) 6.113 2.334 ( -0.802 6.280 -1.683) 6.551 2.463 ( -1.651 4.104 -2.505) 5.084 2.503 ( 0.633 3.933 2.281) 4.590 2.574 ( 3.268 4.322 -4.492) 7.038 2.640 ( 1.653 8.212 -0.058) 8.377 2.704 ( -1.796 4.135 -0.630) 4.552 2.736 ( -4.565 7.690 -3.201) 9.499 2.775 ( -0.507 1.356 1.387) 2.005 2.848 ( 3.159 -4.761 -0.490) 5.734 2.920 ( -2.524 1.300 1.695) 3.306 2.944 ( 2.561 3.999 1.300) 4.924 3.033 ( 2.435 -2.409 3.403) 4.828 3.150 ( -0.732 9.787 4.947) 10.990 3.220 ( -0.069 5.306 -3.494) 6.354 3.390 ( -1.638 -0.162 0.240) 1.663 3.488 ( 1.130 4.058 -0.323) 4.225 3.523 ( -6.679 6.813 -6.833) 11.735 3.567 ( -1.440 4.803 -1.846) 5.343 3.593 ( 1.444 2.907 -1.106) 3.429 3.686 ( -0.881 7.141 3.839) 8.155 3.772 ( 5.049 4.435 4.780) 8.247 3.821 ( 2.520 1.591 5.988) 6.689 3.841 ( -4.054 3.689 3.031) 6.263 3.939 ( 4.859 1.976 -1.209) 5.383 4.110 ( -3.435 5.164 -3.685) 7.214 4.149 ( 0.356 3.325 4.071) 5.268 4.205 ( 4.411 4.162 4.424) 7.507 4.343 ( -1.877 6.033 0.442) 6.334 4.453 ( -1.060 6.413 -4.742) 8.045 4.495 ( -1.316 -5.331 -4.565) 7.141 4.592 ( -5.693 0.559 -4.600) 7.340 4.667 ( 0.686 5.880 0.790) 5.972 4.744 ( -0.950 0.601 -1.772) 2.099 4.774 ( 3.580 -1.533 -1.328) 4.114 4.812 ( -1.359 -2.341 -3.443) 4.379 4.960 ( -3.472 -0.744 2.535) 4.363 4.981 ( 5.573 -4.878 3.406) 8.152 5.008 ( 1.645 -2.444 -2.162) 3.654 5.082 ( -4.898 -5.226 2.421) 7.560 5.170 ( 2.967 1.088 5.729) 6.543 5.314 ( 3.246 -2.136 -3.613) 5.306 5.387 ( 5.809 -0.184 -2.649) 6.387 5.532 ( 3.613 -2.363 0.540) 4.351 5.624 ( 6.757 -2.647 -1.484) 7.407 5.666 ( -0.805 4.809 -0.280) 4.884 5.830 ( 1.163 3.887 -4.010) 5.705 5.852 ( -5.522 -2.827 2.699) 6.765 5.944 ( -5.531 -1.912 1.101) 5.955 6.012 ( 1.981 2.039 7.588) 8.103 6.102 ( 0.788 -3.904 -2.675) 4.798 6.217 ( -0.978 0.287 4.784) 4.891 6.398 ( -0.090 -2.899 0.051) 2.901 6.513 ( -2.117 -2.989 1.853) 4.105 6.589 ( -5.725 -2.561 0.494) 6.291 6.623 ( 2.003 -2.822 0.630) 3.517 6.824 ( 0.975 -4.210 0.767) 4.389 6.950 ( -1.011 -2.255 -4.846) 5.440 7.009 ( 3.975 -7.555 0.331) 8.543 7.256 ( 4.541 1.883 0.086) 4.916 7.632 ( 0.520 -6.423 0.799) 6.493 7.676 ( -0.497 1.918 0.110) 1.984 7.798 ( -1.832 -0.589 0.469) 1.981 7.835 ( -3.298 -1.090 0.916) 3.593 7.957 ( -1.605 -3.218 -4.254) 5.570 7.999 ( 1.421 -5.989 -0.932) 6.225 8.164 ( -0.725 -2.906 -2.281) 3.765 8.186 ( -1.746 -2.830 -0.939) 3.456 8.223 ( 0.246 -7.439 -1.564) 7.606 8.262 ( 0.277 -7.521 -0.212) 7.529 8.415 ( -1.275 1.589 -2.917) 3.558 8.532 ( -1.241 -0.741 8.118) 8.245 8.667 ( -1.142 1.072 4.070) 4.361 8.765 ( -4.006 6.189 1.649) 7.554 8.843 ( 0.024 1.233 -5.764) 5.894 9.013 ( -0.994 4.112 0.317) 4.243 9.045 ( 1.318 2.661 6.261) 6.930 9.230 ( -0.042 2.268 -3.740) 4.374 9.337 ( -2.911 0.927 2.259) 3.800 9.395 ( 4.760 -0.089 -0.307) 4.771 9.484 ( 1.911 2.253 -0.652) 3.025 9.621 ( -2.381 10.139 0.696) 10.438 9.746 ( 1.262 -5.120 2.710) 5.929 9.989 ( 4.414 7.137 -0.024) 8.391 10.151 ( -0.761 -3.902 -3.174) 5.087 10.235 ( 0.314 2.725 -7.473) 7.960 10.432 ( 2.619 7.936 1.111) 8.430 10.627 ( 1.029 5.714 -8.203) 10.050 11.117 ( -6.159 -0.460 9.841) 11.619 11.401 ( 3.393 -0.650 0.152) 3.458 11.581 ( -0.352 0.826 0.851) 1.237 11.708 ( 2.230 -2.583 -5.486) 6.461 11.799 ( -3.441 4.515 -0.190) 5.681 11.826 ( -0.718 -0.731 -1.948) 2.201 11.996 ( -0.237 1.612 -2.505) 2.988 12.047 ( -0.063 -2.910 -0.786) 3.015 12.190 ( -0.802 -0.995 7.278) 7.390 12.284 ( 3.342 -1.572 1.600) 4.025 12.338 ( -2.679 -3.571 -0.429) 4.485 12.499 ( -5.570 0.143 -0.061) 5.573 12.604 ( 1.418 3.652 3.074) 4.980 12.683 ( 2.242 -3.526 -2.001) 4.633 12.812 ( -1.897 -0.714 -5.540) 5.899 13.011 ( -0.709 -3.890 3.496) 5.278 13.142 ( 6.315 2.666 3.563) 7.725 13.251 ( 1.308 -3.745 0.988) 4.088 13.368 ( -1.842 -4.588 1.283) 5.107 13.481 ( -8.555 3.396 -0.180) 9.206 13.552 ( 1.399 -4.092 -4.444) 6.201 13.621 ( 2.939 -6.239 2.134) 7.219 13.779 ( 2.745 -4.031 1.774) 5.190 13.856 ( -11.265 -2.451 -6.110) 13.047 14.134 ( -1.564 -4.208 6.107) 7.580 14.337 ( 3.724 7.441 -2.259) 8.622 14.430 ( -5.509 1.072 -1.233) 5.746 14.571 ( 9.516 -1.769 4.957) 10.875 14.789 ( -4.538 1.877 0.372) 4.925 15.032 ( 0.890 -6.907 -0.896) 7.022 15.426 ( 1.266 2.350 -2.224) 3.474 15.832 ( -7.268 5.458 -6.105) 10.949 15.990 ( 14.355 4.582 4.747) 15.799 16.337 ( -8.727 7.548 3.791) 12.145 16.862 ( 9.532 -9.087 3.541) 13.637 17.348 ( 0.396 -6.761 -8.557) 10.912 17.744 ( -3.053 0.425 8.772) 9.297 18.264 ( 1.864 1.968 -4.267) 5.055 20.585 ( -1.413 -1.309 -0.796) 2.084 20.629 ( -2.118 -5.212 -1.028) 5.719 21.142 ( 1.035 -0.529 1.033) 1.555 21.313 ( 0.177 4.701 -2.384) 5.274 21.341 ( -0.762 3.597 0.398) 3.698 21.525 ( 0.259 3.028 -4.935) 5.796 21.674 ( 1.501 -0.194 2.507) 2.929 21.787 ( 4.025 2.621 0.908) 4.888 21.941 ( 4.003 0.573 2.871) 4.960 22.012 ( -0.799 -2.711 -2.810) 3.986 22.188 ( -5.289 0.631 -1.383) 5.503 22.232 ( -3.428 -5.615 0.832) 6.631 22.443 ( 0.364 -3.267 1.966) 3.831 22.588 ( 1.296 1.656 6.710) 7.032 22.849 ( 0.048 1.408 -1.788) 2.276 23.191 ( 0.708 -0.050 2.485) 2.584 23.292 ( -1.191 0.829 -7.031) 7.180 23.324 ( -3.034 6.478 -2.062) 7.445 23.383 ( 2.522 -4.259 3.409) 6.010 23.495 ( -1.866 -0.173 -2.014) 2.751 23.522 ( 0.949 1.816 4.746) 5.169 23.597 ( -0.078 -4.709 -0.752) 4.769 23.798 ( -0.224 -0.264 -1.035) 1.091 23.850 ( -0.544 3.326 -7.261) 8.005 24.236 ( 0.756 0.749 -0.188) 1.081 24.281 ( 1.149 -1.109 -0.277) 1.620 24.503 ( 1.773 6.851 4.286) 8.273 24.663 ( 2.873 6.490 0.509) 7.116 25.572 ( -1.077 -1.495 0.694) 1.969 25.633 ( -0.228 -1.180 -0.264) 1.230 ======================= Grid point 48 (26/52) ======================= q-point: (-0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -16.791 16.737 -2.215) 23.811 1.513 ( -16.457 14.539 6.691) 22.956 1.871 ( 4.503 10.492 6.498) 13.137 1.920 ( 3.675 8.308 -7.797) 11.972 2.133 ( 4.385 5.108 -5.241) 8.532 2.173 ( 6.140 8.971 0.290) 10.875 2.257 ( -5.572 2.316 2.015) 6.362 2.324 ( 1.652 9.005 0.035) 9.155 2.379 ( -0.386 1.118 -2.357) 2.637 2.463 ( -5.810 13.209 1.169) 14.478 2.521 ( -6.259 6.438 -6.524) 11.099 2.616 ( -2.009 7.661 -5.667) 9.739 2.651 ( 1.209 7.801 -1.878) 8.114 2.730 ( 0.237 3.018 0.750) 3.119 2.766 ( 2.535 7.013 4.176) 8.547 2.798 ( -4.294 2.247 -0.771) 4.907 2.948 ( 0.112 0.428 -1.116) 1.201 2.976 ( -1.285 -3.844 2.603) 4.817 3.047 ( -0.028 4.970 -0.326) 4.981 3.143 ( -1.991 3.187 3.388) 5.060 3.226 ( 1.101 1.868 -0.398) 2.205 3.314 ( -5.422 5.077 -4.551) 8.711 3.342 ( -2.544 -6.832 -2.014) 7.563 3.517 ( -1.464 2.425 0.565) 2.889 3.542 ( 0.340 6.346 -1.867) 6.624 3.576 ( -2.360 1.961 5.355) 6.172 3.768 ( 4.168 11.142 1.814) 12.034 3.784 ( -2.059 7.427 1.150) 7.792 3.886 ( 5.304 6.083 4.037) 9.025 3.961 ( 3.242 7.094 5.662) 9.638 4.001 ( -2.429 1.102 -2.289) 3.515 4.085 ( 4.888 1.479 -2.597) 5.729 4.164 ( -0.759 2.949 1.184) 3.267 4.287 ( -0.292 5.361 4.137) 6.778 4.318 ( -4.432 9.296 -0.224) 10.301 4.434 ( 0.939 -2.005 -3.907) 4.490 4.463 ( 4.053 0.205 -2.296) 4.663 4.504 ( 2.986 -0.971 -1.842) 3.641 4.612 ( -0.994 0.888 -3.037) 3.317 4.756 ( 2.661 1.549 -2.363) 3.881 4.783 ( 0.231 -4.221 -4.145) 5.920 4.859 ( -0.393 -2.115 -0.715) 2.267 4.884 ( 0.039 0.219 0.574) 0.616 4.969 ( -1.545 -2.832 4.780) 5.767 5.083 ( 0.656 -7.122 3.930) 8.161 5.135 ( 3.741 -4.604 5.516) 8.100 5.189 ( -6.231 0.415 -3.039) 6.945 5.336 ( 4.718 4.194 0.403) 6.325 5.492 ( 4.059 0.782 -2.347) 4.753 5.575 ( -2.963 -0.427 -1.809) 3.498 5.638 ( 2.326 2.086 3.777) 4.902 5.738 ( -1.186 -1.758 -0.451) 2.168 5.760 ( 1.610 -0.974 -4.096) 4.508 5.891 ( -0.401 0.971 1.361) 1.719 5.898 ( 6.420 3.208 1.738) 7.385 6.074 ( 0.725 -2.341 -0.640) 2.533 6.156 ( 3.017 -1.648 9.502) 10.105 6.274 ( 1.367 -1.225 5.307) 5.616 6.375 ( -0.990 -0.870 -0.717) 1.501 6.463 ( -6.158 -1.864 0.943) 6.503 6.473 ( -3.182 -3.945 -1.370) 5.250 6.671 ( 1.668 -2.984 0.675) 3.485 6.768 ( -4.995 -2.623 -2.863) 6.326 6.965 ( 4.909 -3.086 -4.884) 7.581 7.048 ( -0.376 -5.974 2.030) 6.321 7.303 ( -0.864 2.155 1.893) 2.996 7.607 ( -2.835 -1.593 1.197) 3.465 7.710 ( 2.923 -2.373 0.091) 3.766 7.759 ( -1.208 -0.875 -0.871) 1.727 7.791 ( -1.075 -3.420 0.162) 3.589 7.933 ( 2.726 -5.567 -5.016) 7.974 8.040 ( 2.801 -3.331 -4.135) 6.004 8.129 ( 0.081 -3.178 -0.476) 3.215 8.174 ( 1.095 -4.462 -1.069) 4.717 8.211 ( 0.331 -6.301 -1.087) 6.402 8.302 ( 2.559 -4.544 3.385) 6.217 8.390 ( 0.155 1.560 -1.981) 2.526 8.544 ( -3.503 1.490 6.285) 7.348 8.624 ( -5.158 -0.727 3.689) 6.383 8.713 ( -0.917 3.043 -2.760) 4.209 8.812 ( -0.036 -0.219 -3.159) 3.167 9.024 ( 2.044 4.651 -0.142) 5.082 9.108 ( 0.765 2.657 4.620) 5.384 9.179 ( -2.538 2.094 -2.456) 4.107 9.256 ( -5.612 0.550 0.398) 5.653 9.432 ( -1.581 0.887 0.380) 1.852 9.537 ( 4.397 3.793 -0.388) 5.820 9.587 ( -1.977 8.326 0.769) 8.592 9.821 ( 2.186 -4.217 5.155) 7.010 10.009 ( -0.890 8.493 -1.733) 8.714 10.139 ( 2.762 -2.949 -2.268) 4.633 10.201 ( -1.207 3.544 -4.366) 5.752 10.439 ( -1.280 2.686 -1.389) 3.284 10.665 ( 10.079 5.218 -9.674) 14.913 11.090 ( -4.266 0.137 9.769) 10.661 11.436 ( -0.189 -1.233 -0.573) 1.373 11.576 ( -1.162 1.396 3.156) 3.641 11.713 ( 0.530 -3.256 -4.731) 5.768 11.755 ( 2.885 4.250 -2.591) 5.753 11.790 ( -1.385 -1.091 -2.194) 2.815 11.971 ( -0.135 2.794 -3.158) 4.219 12.090 ( 3.273 -3.580 1.865) 5.197 12.211 ( -3.025 -0.711 6.450) 7.159 12.297 ( -2.087 -0.897 1.519) 2.733 12.341 ( 1.275 -1.565 0.246) 2.033 12.407 ( -2.363 -1.058 -1.392) 2.940 12.640 ( -1.849 -1.612 4.427) 5.061 12.706 ( 1.540 0.387 -2.768) 3.191 12.761 ( 2.756 -0.158 -4.354) 5.156 13.020 ( -0.438 -6.536 1.687) 6.764 13.187 ( -5.481 6.604 4.027) 9.480 13.335 ( 1.249 -1.615 4.333) 4.790 13.364 ( 3.669 -0.589 3.460) 5.078 13.405 ( 2.017 -0.462 -3.291) 3.887 13.516 ( 0.990 -3.239 -8.451) 9.105 13.646 ( -6.953 -6.322 -1.217) 9.476 13.724 ( 4.387 -4.684 2.963) 7.068 13.842 ( 1.638 -3.976 1.792) 4.658 14.140 ( 0.597 0.994 -0.184) 1.174 14.279 ( -1.045 -0.053 -4.503) 4.623 14.490 ( 2.147 5.573 6.804) 9.053 14.666 ( -1.625 0.343 2.635) 3.115 14.793 ( 3.080 -0.644 1.724) 3.588 14.949 ( -3.859 -3.518 -4.466) 6.871 15.516 ( 6.646 0.461 2.321) 7.055 15.616 ( -10.291 4.527 -8.627) 14.171 16.160 ( -7.315 10.239 4.236) 13.277 16.275 ( 7.667 4.122 2.395) 9.028 16.919 ( -7.187 -14.592 3.415) 16.620 17.336 ( 4.391 -5.106 -5.569) 8.739 17.799 ( 2.354 -0.685 7.612) 7.997 18.264 ( 1.461 2.029 -4.360) 5.026 20.567 ( -2.669 -3.654 -2.567) 5.203 20.589 ( 2.162 -1.590 -0.421) 2.717 21.146 ( -1.596 -0.067 1.182) 1.987 21.284 ( -0.251 4.749 -2.941) 5.591 21.331 ( -1.366 2.284 0.622) 2.733 21.495 ( 0.756 2.733 -5.157) 5.885 21.670 ( -3.574 0.886 3.103) 4.815 21.845 ( 0.480 0.079 0.625) 0.792 21.912 ( -3.821 0.612 1.211) 4.054 22.048 ( 1.768 -1.436 -1.921) 2.980 22.165 ( -2.231 -1.629 -0.670) 2.843 22.209 ( 6.291 1.922 0.470) 6.595 22.489 ( 1.691 -4.274 5.776) 7.382 22.675 ( 3.554 2.991 5.142) 6.929 22.843 ( -0.756 0.637 -0.072) 0.991 23.165 ( -3.813 1.443 -9.110) 9.981 23.241 ( 1.919 0.786 2.827) 3.506 23.290 ( -1.387 -0.048 0.952) 1.683 23.413 ( -3.021 -1.591 -2.470) 4.214 23.485 ( 3.746 -0.691 3.071) 4.893 23.554 ( -1.115 -1.221 -0.826) 1.849 23.568 ( -0.754 -1.454 1.346) 2.120 23.770 ( -0.862 -2.327 -2.911) 3.826 23.839 ( 4.578 2.894 -5.951) 8.047 24.247 ( 0.239 0.784 0.260) 0.860 24.287 ( -0.259 -0.981 -0.241) 1.043 24.528 ( -2.571 6.121 3.683) 7.592 24.739 ( 3.553 5.951 1.529) 7.097 25.556 ( -1.060 -0.618 0.794) 1.462 25.625 ( -0.259 -0.998 -0.507) 1.149 ======================= Grid point 49 (27/52) ======================= q-point: (-0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -6.047 22.300 7.452) 24.278 1.305 ( -15.344 15.264 17.908) 28.091 1.947 ( 4.186 6.796 0.849) 8.027 2.033 ( 5.597 9.045 0.350) 10.642 2.086 ( -2.504 2.131 -4.752) 5.778 2.190 ( -3.029 12.898 -0.906) 13.280 2.226 ( 0.485 7.177 6.539) 9.722 2.320 ( -1.312 5.927 -2.358) 6.512 2.380 ( -0.173 14.319 2.481) 14.533 2.417 ( -0.440 9.016 -3.014) 9.517 2.441 ( 1.908 4.720 -1.442) 5.292 2.569 ( 1.387 9.614 1.318) 9.803 2.632 ( -2.058 7.485 -2.817) 8.258 2.725 ( -1.141 6.097 -1.863) 6.476 2.760 ( 1.131 -1.042 -0.196) 1.550 2.869 ( 3.041 5.011 5.652) 8.142 2.909 ( -0.804 2.129 -3.120) 3.861 2.931 ( -2.678 -1.408 1.298) 3.292 3.060 ( -2.243 6.170 0.392) 6.577 3.152 ( 0.608 -1.012 0.149) 1.190 3.184 ( -0.535 1.120 -1.303) 1.800 3.239 ( -0.829 -1.880 -0.281) 2.074 3.346 ( 0.076 -2.981 3.053) 4.268 3.495 ( 0.011 2.536 1.601) 2.999 3.546 ( 0.201 5.806 -0.083) 5.810 3.627 ( 0.361 -0.930 7.069) 7.139 3.745 ( -0.570 7.864 2.406) 8.244 3.806 ( -7.892 5.472 -3.285) 10.150 3.882 ( 2.537 3.676 2.851) 5.299 3.949 ( 0.710 7.331 -6.408) 9.763 4.055 ( -0.890 1.512 -0.652) 1.871 4.113 ( -2.435 6.878 1.679) 7.486 4.138 ( 0.184 6.815 -1.936) 7.087 4.280 ( 4.120 0.074 5.127) 6.577 4.325 ( 3.624 6.990 -4.504) 9.071 4.441 ( 2.348 3.964 -5.533) 7.200 4.495 ( -0.544 2.101 -0.150) 2.175 4.585 ( 5.730 -5.644 -0.510) 8.059 4.635 ( 0.284 -2.559 -1.960) 3.236 4.735 ( 0.610 -4.250 -5.313) 6.831 4.764 ( -1.165 3.877 1.584) 4.347 4.860 ( 1.289 -1.359 -0.363) 1.908 4.897 ( -0.420 -1.883 1.606) 2.510 5.031 ( 1.872 -3.650 2.008) 4.567 5.085 ( -1.095 1.615 5.086) 5.447 5.142 ( 2.770 -5.906 -0.602) 6.550 5.199 ( -0.422 -0.814 3.074) 3.208 5.320 ( -4.486 2.723 -5.833) 7.846 5.421 ( -4.707 0.264 2.775) 5.470 5.560 ( -5.479 -2.247 -0.418) 5.937 5.657 ( 5.909 4.283 -2.433) 7.693 5.740 ( -1.004 -1.339 -6.539) 6.750 5.773 ( 3.000 4.013 -3.852) 6.320 5.903 ( 0.887 2.082 -0.295) 2.282 6.003 ( 1.281 1.257 3.859) 4.255 6.127 ( 3.549 -3.390 -0.299) 4.917 6.226 ( -2.402 -0.839 2.029) 3.254 6.288 ( 1.618 -0.787 5.005) 5.318 6.348 ( -4.280 -1.124 -0.626) 4.469 6.414 ( -2.682 -4.886 -2.020) 5.929 6.459 ( 4.276 -1.184 7.745) 8.925 6.649 ( -2.977 -2.950 -0.284) 4.201 6.725 ( 2.715 -1.784 -1.401) 3.538 6.964 ( -3.139 -3.802 -1.404) 5.126 7.054 ( 2.247 -4.237 -4.757) 6.755 7.248 ( -5.123 0.693 -0.414) 5.186 7.574 ( -2.831 0.369 5.103) 5.847 7.742 ( 0.352 -1.475 0.689) 1.665 7.781 ( 3.250 -2.853 -1.075) 4.457 7.816 ( 2.617 -4.257 1.559) 5.235 7.938 ( 1.512 -6.249 -3.482) 7.312 8.021 ( 0.639 -0.557 -5.839) 5.900 8.168 ( 2.816 -5.136 -3.286) 6.717 8.207 ( 2.568 -6.977 -3.216) 8.100 8.261 ( 6.312 -3.327 1.757) 7.349 8.346 ( -4.091 3.095 7.009) 8.686 8.412 ( 3.719 -0.200 -0.646) 3.780 8.515 ( -2.229 0.530 6.972) 7.339 8.589 ( -2.538 -1.534 4.266) 5.196 8.697 ( 2.339 -2.810 -3.077) 4.779 8.778 ( -1.544 -1.514 -2.095) 3.011 9.064 ( 2.043 5.098 -2.052) 5.863 9.084 ( -7.381 3.934 5.079) 9.785 9.156 ( 3.037 0.162 -3.138) 4.370 9.200 ( -0.601 -0.697 3.172) 3.303 9.374 ( -4.461 1.345 0.281) 4.668 9.533 ( -3.248 7.593 0.167) 8.260 9.611 ( 1.613 3.627 2.121) 4.501 9.869 ( -0.687 -1.740 2.853) 3.412 10.006 ( 1.978 3.664 -1.742) 4.513 10.106 ( -4.658 4.971 -4.912) 8.399 10.172 ( 0.914 2.480 2.669) 3.756 10.411 ( 0.827 1.623 -4.277) 4.649 10.800 ( 11.797 1.042 -14.520) 18.737 11.112 ( -0.939 -0.416 9.581) 9.636 11.378 ( -4.580 -1.098 -0.840) 4.784 11.568 ( -3.965 -3.639 5.534) 7.720 11.722 ( 2.648 -0.847 -0.973) 2.945 11.761 ( 1.137 1.035 -2.782) 3.179 11.823 ( 5.619 3.836 -3.366) 7.590 11.958 ( 1.916 2.894 -3.997) 5.294 12.154 ( -0.384 -2.664 2.529) 3.693 12.196 ( 1.267 -0.360 1.794) 2.225 12.260 ( -3.872 0.757 2.648) 4.752 12.350 ( -0.172 -0.365 0.011) 0.404 12.389 ( -0.301 -1.509 1.792) 2.362 12.615 ( -2.331 -1.532 2.625) 3.830 12.698 ( -1.396 -0.459 2.221) 2.663 12.839 ( 6.084 -1.248 -3.810) 7.286 12.994 ( -2.766 -6.359 -1.809) 7.167 13.126 ( -1.471 2.053 0.749) 2.634 13.350 ( -0.641 -3.629 -1.514) 3.984 13.410 ( 0.069 1.102 1.954) 2.244 13.453 ( -3.123 -2.189 -2.073) 4.341 13.496 ( 4.526 -0.321 7.532) 8.793 13.645 ( 4.947 -2.507 -0.993) 5.634 13.779 ( -1.300 -2.227 0.021) 2.579 13.867 ( 3.174 -2.332 -0.083) 3.939 14.160 ( 1.607 0.242 0.281) 1.650 14.303 ( 1.414 0.095 1.543) 2.095 14.535 ( 4.899 3.305 0.080) 5.910 14.687 ( -6.537 -0.769 -4.252) 7.836 14.710 ( 0.399 3.342 2.489) 4.186 15.007 ( 6.615 -2.732 3.943) 8.171 15.313 ( -15.270 2.407 -7.528) 17.194 15.662 ( 5.115 -0.389 2.756) 5.823 16.031 ( -5.584 8.537 -0.374) 10.208 16.405 ( 1.994 2.407 1.916) 3.666 16.753 ( -10.333 -12.126 4.205) 16.477 17.352 ( -0.551 -3.549 -1.057) 3.744 17.915 ( 4.651 -3.308 0.867) 5.773 18.257 ( 1.512 2.293 -4.691) 5.436 20.521 ( -0.386 -1.445 0.399) 1.548 20.646 ( 3.499 -2.823 0.033) 4.496 21.108 ( -2.891 0.516 1.243) 3.189 21.256 ( -0.988 0.725 -2.313) 2.617 21.321 ( 0.302 4.658 1.203) 4.820 21.485 ( 1.464 2.176 -2.708) 3.770 21.595 ( -6.330 4.958 2.605) 8.452 21.818 ( -1.707 -2.565 -1.296) 3.343 21.869 ( -1.924 1.044 -0.780) 2.324 22.082 ( 1.411 0.421 0.730) 1.643 22.140 ( 1.555 -2.186 0.683) 2.768 22.302 ( 1.612 -2.217 0.238) 2.752 22.625 ( 7.701 -0.128 5.478) 9.451 22.737 ( -0.432 2.934 -3.428) 4.533 22.853 ( 2.900 0.776 5.770) 6.505 22.992 ( -8.329 -4.316 -9.469) 13.329 23.243 ( -1.027 1.158 1.469) 2.134 23.320 ( 1.365 -2.994 0.786) 3.383 23.376 ( 0.228 2.855 1.928) 3.453 23.500 ( -2.062 -1.626 -2.806) 3.843 23.573 ( -0.488 0.115 2.725) 2.770 23.590 ( 4.528 0.905 0.784) 4.684 23.732 ( -0.980 -4.910 -2.625) 5.654 23.923 ( 8.453 4.124 -4.801) 10.560 24.244 ( -0.606 0.685 -0.155) 0.928 24.276 ( -0.548 -0.464 -0.164) 0.736 24.452 ( -7.926 5.467 2.284) 9.896 24.780 ( 0.590 7.393 -2.381) 7.790 25.554 ( -0.319 -0.392 2.260) 2.316 25.620 ( 0.117 -1.068 -0.190) 1.091 ======================= Grid point 50 (28/52) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -5.187 13.828 16.351) 22.033 1.709 ( 4.793 15.662 13.373) 21.144 1.902 ( -1.989 -8.570 10.171) 13.448 2.004 ( 2.138 -7.614 4.279) 8.992 2.284 ( 5.401 2.086 4.356) 7.245 2.309 ( -0.581 2.069 -1.041) 2.388 2.358 ( 0.775 -0.891 -0.323) 1.224 2.374 ( 1.492 2.185 4.971) 5.631 2.497 ( 3.411 0.434 -0.104) 3.440 2.597 ( 0.312 4.697 0.500) 4.734 2.640 ( 2.196 2.955 -2.446) 4.420 2.659 ( 0.884 -0.040 -0.214) 0.910 2.761 ( 5.239 1.455 -6.807) 8.711 2.806 ( -2.357 5.721 -6.349) 8.865 2.848 ( -3.760 -0.039 0.012) 3.761 2.894 ( -1.170 -0.765 0.288) 1.427 2.955 ( -3.734 4.713 0.408) 6.027 3.065 ( 2.873 15.351 3.129) 15.928 3.102 ( 0.302 5.773 2.946) 6.488 3.208 ( -0.152 0.706 3.785) 3.854 3.231 ( -1.914 1.162 2.243) 3.169 3.339 ( 2.377 -2.562 8.629) 9.310 3.371 ( 6.753 -0.051 1.047) 6.834 3.461 ( -2.103 -3.611 5.027) 6.537 3.580 ( 0.749 1.581 2.116) 2.745 3.624 ( -3.753 2.675 -2.951) 5.473 3.734 ( -5.185 1.010 -6.864) 8.661 3.805 ( -1.012 -0.778 -0.891) 1.557 4.000 ( 0.075 3.095 -5.379) 6.206 4.016 ( 0.407 1.794 -6.070) 6.342 4.088 ( 4.086 -0.287 -0.230) 4.103 4.146 ( -0.718 3.413 -0.444) 3.515 4.270 ( -0.925 2.615 1.743) 3.276 4.362 ( -2.988 0.647 6.459) 7.146 4.436 ( -3.110 3.067 -1.311) 4.560 4.463 ( 0.002 -2.270 -1.281) 2.607 4.503 ( -0.097 -3.886 -4.093) 5.645 4.604 ( 3.986 2.511 -4.832) 6.748 4.635 ( 3.922 4.087 -0.294) 5.672 4.702 ( 5.725 2.722 3.222) 7.111 4.778 ( 0.088 1.469 -0.616) 1.595 4.847 ( 2.517 -2.897 -0.739) 3.909 4.922 ( -0.185 -4.664 3.062) 5.582 5.068 ( 0.492 4.950 4.293) 6.571 5.090 ( -4.694 -0.119 -1.820) 5.036 5.158 ( -1.855 2.628 0.248) 3.226 5.180 ( 2.914 0.545 -6.859) 7.473 5.278 ( -2.350 -1.184 0.951) 2.798 5.354 ( -5.270 0.770 -1.219) 5.464 5.511 ( -0.808 0.296 -1.306) 1.564 5.529 ( -4.456 -1.404 -8.748) 9.917 5.809 ( 0.337 4.837 -3.564) 6.018 5.875 ( 0.497 2.544 -4.306) 5.026 5.942 ( 0.547 0.028 -2.050) 2.122 5.990 ( -2.109 -1.684 -1.737) 3.209 6.091 ( 3.100 -2.148 -4.829) 6.127 6.138 ( -5.362 -0.353 1.527) 5.587 6.266 ( -0.002 -3.155 0.555) 3.204 6.270 ( -3.448 -1.481 6.924) 7.876 6.361 ( 2.594 -0.590 4.092) 4.880 6.535 ( -3.294 -1.830 9.571) 10.287 6.597 ( 3.093 -1.670 2.640) 4.396 6.749 ( 1.119 -0.818 -1.820) 2.288 6.803 ( -2.943 -3.133 -3.759) 5.711 6.935 ( 1.578 -3.581 -6.339) 7.449 7.137 ( 0.170 -0.512 -3.328) 3.371 7.563 ( -4.158 -0.501 4.807) 6.376 7.724 ( -1.163 -1.350 0.298) 1.807 7.757 ( 0.568 -0.043 1.575) 1.675 7.777 ( 3.370 -2.187 0.489) 4.047 7.957 ( 6.925 -2.364 5.609) 9.221 7.990 ( 1.706 -0.331 -2.434) 2.991 8.043 ( -2.006 -4.148 -2.906) 5.448 8.106 ( 2.543 -2.847 -6.126) 7.218 8.296 ( -5.426 0.874 -2.515) 6.044 8.350 ( -6.452 -2.162 -1.741) 7.024 8.416 ( 2.519 1.039 4.740) 5.467 8.544 ( -0.742 -0.363 4.468) 4.544 8.615 ( -0.228 2.691 4.329) 5.102 8.687 ( 4.653 -3.349 2.598) 6.294 8.759 ( 7.195 -1.555 5.173) 8.997 9.049 ( -6.601 0.980 4.746) 8.189 9.128 ( -0.090 2.003 -1.809) 2.700 9.159 ( 1.541 -0.915 -3.822) 4.222 9.271 ( 0.851 0.828 5.298) 5.429 9.317 ( -1.321 0.131 2.834) 3.129 9.585 ( -3.555 3.695 -3.370) 6.136 9.735 ( 0.836 3.383 2.478) 4.276 9.839 ( -2.030 -0.666 -1.802) 2.795 10.004 ( 4.507 -1.942 2.491) 5.504 10.096 ( -2.972 2.746 -8.030) 8.992 10.324 ( 2.365 1.919 -3.872) 4.926 10.533 ( 4.134 8.416 -5.410) 10.825 10.776 ( 3.422 -5.523 -7.415) 9.859 11.127 ( -3.797 -0.799 11.963) 12.577 11.304 ( -2.275 -0.090 3.622) 4.278 11.478 ( 0.062 -1.077 0.249) 1.107 11.741 ( 0.433 -1.008 1.116) 1.565 11.787 ( -0.531 0.189 0.345) 0.660 11.967 ( 2.206 3.726 -3.071) 5.309 12.015 ( 2.525 1.419 -6.078) 6.733 12.115 ( 0.868 -2.337 0.131) 2.497 12.210 ( -2.125 -0.278 -0.296) 2.164 12.247 ( -2.247 1.191 0.035) 2.543 12.293 ( 0.641 -1.349 -0.356) 1.535 12.493 ( 3.600 0.625 6.645) 7.583 12.570 ( -1.687 0.312 3.005) 3.460 12.664 ( -1.111 -0.095 -0.984) 1.487 12.821 ( -1.810 -2.241 -0.267) 2.893 12.939 ( 7.635 -0.289 -4.323) 8.779 13.082 ( -5.098 0.349 0.576) 5.142 13.213 ( -1.631 -2.981 -5.193) 6.206 13.374 ( -0.039 -0.601 0.574) 0.832 13.428 ( -2.599 -0.338 0.022) 2.621 13.564 ( -0.957 -2.149 2.338) 3.317 13.641 ( -1.136 2.102 4.547) 5.137 13.723 ( 0.321 -4.185 0.459) 4.222 13.993 ( 6.076 0.605 4.058) 7.331 14.193 ( 2.477 0.026 2.157) 3.284 14.314 ( -1.026 1.586 -0.323) 1.916 14.525 ( -6.660 -1.464 -2.215) 7.169 14.641 ( -5.068 -0.441 -3.772) 6.333 14.731 ( 6.582 -0.367 0.498) 6.611 15.009 ( -8.639 0.475 -6.877) 11.052 15.282 ( 12.892 2.836 8.753) 15.839 15.668 ( -4.992 -1.189 1.459) 5.335 16.140 ( 2.248 6.779 -2.288) 7.499 16.293 ( -1.677 -5.794 -3.882) 7.173 16.631 ( -1.289 -0.325 7.348) 7.468 17.300 ( 2.173 -1.205 -5.372) 5.919 17.878 ( -2.880 -1.039 0.960) 3.209 18.291 ( 1.919 0.957 -4.869) 5.321 20.533 ( 1.406 -1.027 3.597) 3.996 20.634 ( 0.180 -1.281 -0.187) 1.307 21.082 ( -1.331 0.075 1.609) 2.090 21.246 ( 2.059 0.141 -2.112) 2.953 21.436 ( 2.019 1.999 3.635) 4.613 21.566 ( 3.141 2.021 1.080) 3.888 21.624 ( -2.925 3.137 0.657) 4.339 21.737 ( -0.671 -1.148 -3.231) 3.494 21.850 ( -0.898 1.263 -1.483) 2.145 22.074 ( -2.896 -0.485 -2.293) 3.726 22.138 ( -1.811 -3.879 4.099) 5.927 22.275 ( 6.203 -0.769 2.116) 6.599 22.576 ( -11.494 -0.710 -5.256) 12.659 22.708 ( -4.811 -0.203 -8.760) 9.996 22.864 ( 6.690 2.186 6.030) 9.268 22.980 ( 4.948 -1.907 3.214) 6.201 23.272 ( -0.397 -0.735 -2.348) 2.492 23.319 ( 2.434 0.470 4.305) 4.967 23.384 ( -1.358 -1.390 -2.090) 2.854 23.479 ( 1.297 0.756 2.498) 2.915 23.565 ( -1.528 -0.227 0.550) 1.639 23.635 ( -1.551 -0.476 -1.343) 2.106 23.701 ( 3.655 0.748 2.074) 4.268 24.118 ( 6.202 1.938 -6.523) 9.207 24.236 ( -0.606 0.536 -2.119) 2.268 24.270 ( -0.126 -0.127 -1.467) 1.477 24.429 ( -5.131 2.926 7.271) 9.368 24.865 ( -1.723 3.288 -4.467) 5.808 25.553 ( -0.381 -0.354 1.704) 1.782 25.606 ( 0.272 -0.522 0.145) 0.606 ======================= Grid point 51 (29/52) ======================= q-point: ( 0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 1.672 12.540 15.397) 19.928 1.884 ( 2.102 6.846 11.519) 13.563 1.979 ( 1.261 -4.505 8.990) 10.134 2.054 ( -0.251 -1.314 1.753) 2.205 2.282 ( -0.586 3.955 -1.627) 4.317 2.331 ( -2.034 3.209 -1.388) 4.045 2.395 ( 0.671 3.240 2.989) 4.459 2.460 ( 2.733 -1.102 5.902) 6.596 2.513 ( -0.888 -0.335 -2.908) 3.059 2.568 ( -3.010 2.745 -4.621) 6.160 2.645 ( 0.966 1.883 2.933) 3.617 2.695 ( 0.856 0.260 -2.113) 2.295 2.709 ( -1.006 1.507 1.024) 2.081 2.784 ( -0.546 3.513 -6.002) 6.976 2.825 ( 3.156 -1.148 -2.228) 4.030 2.864 ( -1.936 1.004 -2.388) 3.234 2.911 ( -1.106 -0.152 -0.533) 1.237 3.029 ( -4.787 7.458 1.835) 9.050 3.110 ( -3.274 1.621 -0.303) 3.666 3.256 ( 5.389 11.237 7.426) 14.507 3.332 ( 3.007 2.811 5.128) 6.575 3.462 ( 3.124 -1.823 6.085) 7.078 3.476 ( 2.798 2.238 0.928) 3.701 3.531 ( 1.708 1.241 0.727) 2.233 3.562 ( 3.112 1.202 0.169) 3.341 3.633 ( 3.362 -3.412 1.516) 5.025 3.697 ( 6.980 3.512 5.268) 9.424 3.758 ( -3.245 -1.251 -4.474) 5.666 3.900 ( -3.653 2.553 -9.617) 10.600 3.968 ( -0.647 0.100 -2.851) 2.925 4.075 ( -4.017 0.161 -4.336) 5.913 4.098 ( -1.337 3.044 -2.848) 4.378 4.264 ( -2.721 4.664 5.754) 7.891 4.338 ( -4.935 2.238 -1.870) 5.732 4.423 ( -1.580 -1.623 -0.899) 2.437 4.487 ( 7.879 0.698 5.214) 9.474 4.534 ( 3.626 -0.960 -0.409) 3.773 4.649 ( -1.761 3.202 0.425) 3.679 4.672 ( 5.492 2.739 -2.971) 6.818 4.754 ( 0.602 3.198 -0.965) 3.394 4.793 ( -3.944 2.492 -0.878) 4.748 4.874 ( 0.774 -6.127 -4.080) 7.401 4.944 ( -1.230 3.435 0.631) 3.703 4.982 ( -2.606 -1.627 4.980) 5.851 5.057 ( -6.553 1.910 -1.727) 7.041 5.111 ( -1.036 0.627 -4.898) 5.045 5.152 ( 2.405 1.111 -0.144) 2.653 5.225 ( -5.247 1.186 7.341) 9.101 5.320 ( 1.967 -0.583 -9.694) 9.909 5.373 ( 6.624 -3.645 -6.983) 10.292 5.564 ( 0.295 -0.080 0.978) 1.025 5.788 ( 0.589 4.614 -3.614) 5.891 5.871 ( -0.029 2.474 -0.687) 2.567 5.902 ( -2.887 -0.503 -1.768) 3.422 5.968 ( 1.285 -3.521 -1.317) 3.973 6.038 ( -4.125 -2.589 -3.151) 5.800 6.046 ( -5.348 0.521 2.603) 5.971 6.252 ( -2.184 0.971 4.156) 4.794 6.308 ( 2.588 -2.681 1.306) 3.948 6.466 ( 3.326 0.569 3.766) 5.056 6.527 ( -3.104 -2.137 6.055) 7.132 6.578 ( -4.344 -5.762 2.488) 7.633 6.707 ( -2.901 -2.971 -0.700) 4.211 6.816 ( 4.779 -2.393 -1.742) 5.621 6.926 ( 1.281 -2.913 -4.597) 5.591 7.196 ( 7.544 1.192 -4.287) 8.759 7.522 ( -2.794 -2.496 3.072) 4.845 7.713 ( -0.773 0.263 1.459) 1.672 7.788 ( 0.783 0.011 1.875) 2.032 7.836 ( 1.815 -0.623 1.345) 2.343 7.940 ( -5.458 -3.676 -1.204) 6.690 8.009 ( -0.451 0.275 -1.975) 2.044 8.074 ( 2.338 -2.258 0.183) 3.256 8.106 ( 1.883 -3.977 -2.118) 4.884 8.181 ( -4.293 -1.424 -2.504) 5.170 8.224 ( -5.355 -2.047 -0.889) 5.802 8.481 ( -3.466 0.114 2.817) 4.468 8.499 ( -0.509 0.662 2.164) 2.320 8.659 ( 1.677 2.880 5.947) 6.818 8.773 ( 2.861 -3.381 0.100) 4.430 8.917 ( 0.122 0.913 6.941) 7.002 9.009 ( -0.926 -0.306 2.739) 2.907 9.117 ( -0.589 2.541 0.537) 2.663 9.184 ( 7.116 -0.452 -6.165) 9.426 9.323 ( 0.937 1.335 5.185) 5.436 9.361 ( 1.611 -0.662 3.782) 4.163 9.504 ( -1.431 2.160 -3.973) 4.743 9.738 ( -4.649 0.669 0.159) 4.700 9.792 ( 0.359 1.694 1.771) 2.477 10.000 ( 0.665 2.239 -7.597) 7.948 10.123 ( 5.352 0.477 0.991) 5.464 10.313 ( 0.191 0.394 -6.248) 6.263 10.563 ( 2.748 7.814 -4.203) 9.288 10.745 ( -0.442 -2.356 -6.979) 7.379 11.133 ( -5.523 -0.837 12.843) 14.005 11.323 ( 1.575 -0.120 2.798) 3.213 11.524 ( 4.613 -0.567 -1.164) 4.791 11.699 ( -4.652 -1.920 0.813) 5.098 11.803 ( 1.692 -0.572 -1.501) 2.333 11.956 ( -0.699 5.071 -0.753) 5.174 12.020 ( 1.516 0.006 -3.706) 4.004 12.126 ( -2.147 -1.855 -3.369) 4.404 12.150 ( -0.167 0.943 -2.509) 2.686 12.220 ( -1.282 0.857 5.097) 5.325 12.291 ( -1.753 -3.381 0.685) 3.870 12.535 ( -2.809 -2.389 3.709) 5.230 12.618 ( 2.584 1.462 0.515) 3.014 12.670 ( 2.565 3.999 1.121) 4.881 12.793 ( 0.125 -3.312 -2.337) 4.056 13.007 ( -4.283 -0.438 2.262) 4.864 13.056 ( 8.487 2.159 -3.781) 9.539 13.164 ( -0.129 -2.699 -2.397) 3.612 13.356 ( -3.672 -0.255 -0.018) 3.681 13.400 ( 2.323 -2.894 1.027) 3.851 13.530 ( -3.278 -2.697 0.923) 4.344 13.661 ( 0.060 0.892 3.563) 3.673 13.702 ( -4.500 -2.488 0.679) 5.187 14.018 ( -10.452 -1.292 8.498) 13.533 14.180 ( -3.489 4.339 -5.720) 7.983 14.292 ( 1.247 -5.169 -1.410) 5.501 14.434 ( 1.614 3.203 -0.077) 3.587 14.572 ( 0.295 -0.482 -0.498) 0.753 14.844 ( 2.416 0.748 0.273) 2.544 14.892 ( -0.346 -1.265 -1.605) 2.073 15.516 ( -3.360 2.259 -1.795) 4.429 15.659 ( 13.654 -1.899 7.569) 15.726 16.104 ( -2.695 4.603 -6.306) 8.260 16.384 ( 10.385 -2.067 -0.514) 10.601 16.642 ( -2.951 -0.574 7.437) 8.022 17.292 ( 2.217 -2.109 -9.216) 9.710 17.799 ( -6.475 -0.024 4.646) 7.970 18.292 ( 2.027 0.881 -4.683) 5.178 20.571 ( -0.269 -1.643 2.411) 2.930 20.606 ( -2.410 -0.982 -0.380) 2.630 21.098 ( 1.625 -0.058 1.134) 1.982 21.295 ( 3.636 0.165 -1.358) 3.885 21.525 ( 2.513 3.650 5.041) 6.712 21.566 ( -1.401 3.390 -2.647) 4.523 21.630 ( 1.038 1.183 0.895) 1.810 21.735 ( 4.293 -0.579 -2.161) 4.841 21.855 ( 2.035 0.602 1.327) 2.503 21.992 ( -2.774 -4.054 -4.018) 6.346 22.140 ( -1.778 -2.846 4.898) 5.938 22.340 ( -9.950 -0.413 -2.062) 10.170 22.409 ( 4.740 -0.092 0.453) 4.762 22.578 ( -3.098 0.260 -2.750) 4.151 22.946 ( 0.153 5.654 1.131) 5.768 23.083 ( 3.739 -6.293 0.679) 7.351 23.239 ( -1.456 -0.626 -0.170) 1.594 23.335 ( -1.314 -2.386 -2.957) 4.020 23.411 ( 3.224 1.662 3.457) 5.011 23.515 ( -0.231 0.018 2.017) 2.031 23.546 ( 0.298 -0.044 -0.051) 0.306 23.579 ( -2.929 0.737 -1.461) 3.355 23.797 ( 3.064 1.012 3.643) 4.866 24.053 ( -4.574 2.805 -10.629) 11.907 24.226 ( 1.582 -0.155 0.111) 1.593 24.253 ( -0.038 -0.021 -1.334) 1.334 24.503 ( 3.454 2.636 8.248) 9.323 24.790 ( -1.621 3.422 -4.680) 6.019 25.556 ( -0.549 -0.504 1.357) 1.548 25.613 ( 0.255 -0.556 0.121) 0.623 ======================= Grid point 52 (30/52) ======================= q-point: ( 0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 1.425 7.453 10.784) 13.186 1.908 ( -9.112 3.675 10.303) 14.237 1.979 ( -2.258 5.920 -0.787) 6.385 2.100 ( 1.855 -1.843 5.037) 5.675 2.224 ( -5.572 6.581 -7.315) 11.308 2.251 ( -1.932 1.366 -2.980) 3.804 2.350 ( -2.762 7.153 -2.108) 7.952 2.471 ( -0.938 -0.946 -3.538) 3.781 2.491 ( 0.502 2.906 -1.071) 3.137 2.556 ( 0.204 -0.394 -0.430) 0.618 2.640 ( 0.889 -4.651 -5.724) 7.429 2.691 ( -1.500 2.084 1.228) 2.846 2.715 ( -0.654 4.074 -1.855) 4.524 2.772 ( 3.723 -1.267 5.981) 7.158 2.803 ( -2.906 -1.059 -1.823) 3.590 2.843 ( -1.871 -5.596 -2.021) 6.237 2.922 ( 5.110 2.876 -1.475) 6.046 2.965 ( -3.957 5.751 2.588) 7.446 3.075 ( 1.097 0.854 -1.217) 1.848 3.272 ( -3.607 1.960 -0.369) 4.122 3.378 ( -2.142 5.364 -3.217) 6.612 3.410 ( -5.785 0.588 -6.022) 8.371 3.549 ( 2.362 3.215 -0.168) 3.993 3.607 ( 6.552 5.384 3.842) 9.310 3.658 ( -2.637 1.769 0.998) 3.329 3.743 ( 2.956 -2.398 8.601) 9.405 3.754 ( -4.946 4.949 -1.681) 7.196 3.800 ( 6.980 2.043 4.480) 8.542 3.893 ( 5.334 7.174 7.117) 11.427 3.909 ( 4.049 -3.776 -6.361) 8.433 4.044 ( 5.414 2.880 -3.223) 6.928 4.172 ( 1.813 1.935 2.297) 3.508 4.227 ( -2.708 4.206 -0.075) 5.003 4.264 ( -0.753 2.557 3.329) 4.265 4.347 ( 1.664 -1.392 -2.736) 3.492 4.436 ( -10.551 -1.086 -0.787) 10.636 4.571 ( -0.089 -3.606 -5.621) 6.678 4.628 ( -4.836 7.323 -6.017) 10.641 4.714 ( -3.689 -1.430 -4.624) 6.086 4.765 ( -0.730 1.728 1.148) 2.199 4.788 ( 2.764 4.160 4.305) 6.594 4.848 ( 0.207 3.945 -2.052) 4.452 4.878 ( 3.104 -4.012 3.513) 6.171 4.937 ( -1.067 -3.774 3.180) 5.050 4.981 ( -2.293 0.759 -3.263) 4.060 5.016 ( -5.120 -1.925 -1.425) 5.652 5.247 ( 5.129 4.279 3.908) 7.738 5.300 ( 4.805 -0.380 2.425) 5.396 5.393 ( 7.311 0.906 -3.563) 8.183 5.491 ( 8.598 -2.436 0.105) 8.937 5.576 ( 1.951 -0.179 1.189) 2.292 5.758 ( -5.191 1.783 0.410) 5.504 5.809 ( -2.394 1.186 -0.202) 2.679 5.868 ( 1.029 -1.173 -3.694) 4.010 5.918 ( -2.779 0.291 -0.051) 2.794 5.995 ( 0.429 -4.484 -2.293) 5.055 6.056 ( 1.463 0.984 6.365) 6.605 6.247 ( -1.802 2.333 5.321) 6.083 6.359 ( 1.128 -1.166 2.062) 2.624 6.458 ( -3.674 -1.484 1.966) 4.423 6.515 ( -4.107 -3.258 3.435) 6.268 6.561 ( 1.000 -2.439 -0.962) 2.806 6.695 ( 0.481 -5.697 2.156) 6.110 6.891 ( 2.812 -3.095 2.063) 4.663 6.908 ( 0.740 -1.133 -4.142) 4.357 7.296 ( 5.435 1.471 -3.392) 6.573 7.513 ( -0.331 -3.635 2.497) 4.422 7.717 ( 0.131 1.517 0.812) 1.726 7.789 ( -2.024 -0.299 -0.177) 2.053 7.806 ( -4.727 -1.222 0.002) 4.882 7.903 ( 2.798 -1.986 -1.573) 3.775 7.925 ( -4.491 -0.775 -3.508) 5.751 8.103 ( 0.103 -2.287 -1.362) 2.664 8.109 ( 0.350 -2.290 -2.250) 3.229 8.119 ( 0.324 -2.314 -4.748) 5.292 8.163 ( -1.187 -2.680 4.307) 5.210 8.406 ( -1.595 -1.884 -0.268) 2.483 8.543 ( -0.681 1.869 4.728) 5.130 8.708 ( -1.870 3.166 2.938) 4.707 8.801 ( 0.349 -3.710 -1.024) 3.864 8.870 ( -5.808 2.145 2.310) 6.609 9.038 ( 2.917 0.086 -1.334) 3.208 9.124 ( -0.034 2.412 3.675) 4.396 9.244 ( 1.131 0.002 -5.210) 5.331 9.363 ( -2.355 1.894 5.521) 6.294 9.411 ( 2.391 0.300 2.721) 3.635 9.502 ( 2.330 0.544 -1.308) 2.727 9.645 ( -3.084 -2.823 1.749) 4.532 9.837 ( 2.094 6.145 0.464) 6.509 10.009 ( 4.728 -1.967 -5.886) 7.801 10.195 ( 0.701 4.156 0.347) 4.229 10.256 ( 0.358 -0.286 -5.337) 5.357 10.564 ( 0.660 5.457 -4.914) 7.373 10.685 ( 0.512 -1.102 -7.757) 7.851 11.116 ( -6.014 -0.057 12.354) 13.740 11.387 ( 2.854 -0.010 1.287) 3.131 11.582 ( -0.563 0.597 0.891) 1.212 11.636 ( 1.046 -3.874 -2.301) 4.626 11.806 ( 0.380 -0.506 -2.638) 2.713 11.935 ( -2.786 6.575 -1.085) 7.223 12.007 ( -0.262 -0.352 -2.705) 2.741 12.045 ( 1.357 0.438 -4.717) 4.928 12.176 ( 1.294 -0.288 3.322) 3.577 12.254 ( -1.331 -1.767 4.445) 4.965 12.268 ( 0.855 -1.724 1.456) 2.413 12.473 ( -4.683 -1.439 -0.117) 4.900 12.647 ( -0.144 0.535 1.394) 1.500 12.706 ( 1.612 3.878 -2.769) 5.031 12.789 ( 0.040 -2.087 -1.654) 2.663 12.951 ( -3.219 -1.564 1.494) 3.878 13.184 ( 4.464 -0.574 2.608) 5.201 13.220 ( 8.919 1.434 -1.435) 9.147 13.329 ( 0.242 1.929 2.480) 3.151 13.459 ( 0.495 -3.500 -2.276) 4.204 13.478 ( -0.993 -5.253 3.687) 6.494 13.573 ( -6.934 3.525 -0.665) 7.806 13.674 ( -3.128 -5.203 0.381) 6.083 13.804 ( -10.094 -1.634 1.796) 10.382 14.137 ( 0.302 3.427 0.264) 3.450 14.273 ( -0.226 -7.044 -6.021) 9.269 14.538 ( 5.896 5.164 4.206) 8.895 14.616 ( 1.712 3.291 2.903) 4.710 14.833 ( -0.585 0.858 -0.540) 1.170 14.894 ( -2.020 -4.913 0.373) 5.325 15.459 ( 0.685 0.784 -1.169) 1.565 15.851 ( -3.444 -0.717 -0.695) 3.586 16.104 ( 10.881 3.786 -0.915) 11.557 16.491 ( -2.143 7.403 2.988) 8.266 16.673 ( 1.587 -8.683 3.951) 9.671 17.245 ( 2.740 -2.605 -12.950) 13.490 17.751 ( -3.991 0.186 9.592) 10.391 18.295 ( 1.920 0.828 -4.519) 4.980 20.558 ( -1.746 -1.597 0.005) 2.366 20.565 ( -1.160 -0.591 -0.569) 1.421 21.137 ( 1.120 -0.027 1.275) 1.697 21.334 ( 1.273 0.093 -0.866) 1.543 21.485 ( -2.744 5.969 -3.538) 7.462 21.577 ( -0.121 2.141 -2.868) 3.581 21.651 ( 0.796 -2.336 1.635) 2.960 21.830 ( 3.566 1.091 0.675) 3.790 21.927 ( -0.134 -2.547 -0.946) 2.721 21.960 ( 5.020 -0.398 2.865) 5.794 22.137 ( -2.216 -2.120 4.275) 5.261 22.204 ( -3.523 0.266 2.820) 4.520 22.400 ( -0.937 -0.978 -5.156) 5.331 22.616 ( 2.553 0.728 7.473) 7.930 22.928 ( -0.641 6.083 -2.449) 6.588 23.125 ( 1.006 -8.748 0.095) 8.807 23.227 ( -0.827 -1.380 1.976) 2.548 23.276 ( -1.438 -1.337 -6.447) 6.739 23.461 ( -0.108 3.259 -0.255) 3.271 23.497 ( -1.784 -0.146 -1.365) 2.251 23.531 ( -0.136 -0.674 1.322) 1.490 23.571 ( 0.397 0.826 1.849) 2.063 23.832 ( -1.224 1.606 0.515) 2.084 23.913 ( -0.804 1.978 -10.134) 10.356 24.249 ( 0.802 0.551 -0.090) 0.977 24.262 ( 0.964 -0.704 0.120) 1.200 24.604 ( 0.733 2.601 7.139) 7.634 24.771 ( 2.227 2.958 -1.108) 3.865 25.553 ( -0.680 -0.411 0.968) 1.252 25.615 ( -0.071 -0.508 -0.197) 0.549 ======================= Grid point 53 (31/52) ======================= q-point: (-0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -13.549 10.903 9.575) 19.853 1.766 ( -8.271 11.488 -0.264) 14.158 1.990 ( 0.878 1.244 3.452) 3.773 2.004 ( -7.730 -3.807 -1.098) 8.686 2.189 ( -1.857 1.544 -7.547) 7.924 2.204 ( 2.922 0.765 1.214) 3.255 2.327 ( 1.361 3.218 -1.180) 3.688 2.382 ( -3.551 -0.661 -0.867) 3.714 2.485 ( 1.402 3.701 -4.854) 6.263 2.550 ( -0.964 -1.000 -3.043) 3.345 2.647 ( -1.868 1.792 -0.890) 2.737 2.667 ( 2.783 3.120 -5.409) 6.836 2.713 ( 4.760 -1.011 0.496) 4.891 2.750 ( -2.452 -0.885 2.809) 3.833 2.838 ( 1.638 -4.818 2.191) 5.540 2.857 ( -0.151 2.215 -1.098) 2.477 2.954 ( 1.839 5.886 4.219) 7.472 3.013 ( 4.689 4.304 0.875) 6.424 3.120 ( 1.833 -1.879 -1.294) 2.927 3.208 ( -3.786 3.044 0.017) 4.858 3.251 ( -3.520 -2.050 -1.508) 4.344 3.283 ( -3.557 2.826 -3.759) 5.896 3.467 ( -9.633 7.145 -3.108) 12.390 3.571 ( -1.076 1.957 -2.488) 3.343 3.674 ( -3.344 6.938 2.904) 8.231 3.737 ( -0.573 7.549 3.954) 8.541 3.818 ( -0.093 -1.485 2.305) 2.744 3.928 ( 1.161 0.712 6.001) 6.154 3.985 ( -0.341 -1.981 1.843) 2.727 3.999 ( 3.388 5.775 -4.390) 8.006 4.084 ( 7.850 -1.750 -3.016) 8.590 4.138 ( -0.156 5.433 -1.255) 5.578 4.226 ( -6.140 1.480 4.914) 8.002 4.256 ( -0.610 -5.246 -3.196) 6.173 4.385 ( 7.478 3.393 3.546) 8.944 4.469 ( -2.860 2.258 -1.777) 4.054 4.511 ( 0.695 4.455 -0.141) 4.511 4.556 ( 7.933 0.683 -1.368) 8.080 4.621 ( -2.598 -3.591 -3.936) 5.928 4.655 ( -2.395 0.246 -8.317) 8.659 4.817 ( 1.313 1.928 2.239) 3.233 4.866 ( -0.817 0.674 -0.903) 1.392 4.896 ( -1.686 -0.530 -2.183) 2.809 4.941 ( 0.460 -1.778 -3.343) 3.815 4.981 ( 0.492 0.185 5.615) 5.640 5.062 ( 4.511 -2.239 9.071) 10.375 5.258 ( -6.133 5.137 1.409) 8.123 5.383 ( 4.212 -0.665 -7.419) 8.557 5.452 ( -2.618 -3.674 6.396) 7.827 5.614 ( 2.995 3.385 1.459) 4.749 5.682 ( 4.051 0.929 7.185) 8.300 5.731 ( 4.289 1.701 -2.281) 5.147 5.778 ( 1.121 2.903 -6.659) 7.350 5.889 ( 6.147 -4.750 -3.153) 8.384 5.927 ( 1.847 2.689 0.944) 3.396 5.997 ( 1.006 -3.855 -1.538) 4.271 6.145 ( 0.866 0.162 11.552) 11.586 6.272 ( -0.006 1.307 4.426) 4.614 6.374 ( -1.621 -1.678 3.283) 4.027 6.397 ( -3.804 -0.981 2.320) 4.563 6.442 ( -4.852 1.441 -0.863) 5.134 6.562 ( -1.029 -7.417 0.762) 7.527 6.691 ( -1.064 -2.886 -0.752) 3.166 6.917 ( 2.960 -0.983 -3.718) 4.853 6.942 ( 0.450 -3.213 2.806) 4.290 7.323 ( -1.019 0.173 -1.958) 2.214 7.550 ( 1.106 -2.293 5.229) 5.816 7.691 ( -2.330 -0.468 -0.044) 2.377 7.723 ( -2.063 -1.234 -2.434) 3.421 7.773 ( -0.025 0.821 -1.243) 1.490 7.829 ( -0.676 -3.401 -4.019) 5.308 7.982 ( 5.772 -1.672 -3.834) 7.129 8.063 ( -1.723 -2.054 -3.139) 4.128 8.097 ( 1.173 -2.307 -2.045) 3.299 8.125 ( 1.914 -1.665 1.422) 2.909 8.250 ( 7.304 -1.227 1.797) 7.621 8.414 ( 1.097 0.126 1.515) 1.874 8.546 ( -2.468 0.573 5.515) 6.069 8.635 ( -7.264 1.768 2.373) 7.844 8.705 ( -6.133 -3.505 -3.780) 8.012 8.826 ( -2.545 1.178 0.705) 2.892 9.088 ( 4.436 1.202 -3.477) 5.763 9.160 ( 0.012 2.147 3.322) 3.955 9.194 ( -0.734 -0.590 -3.813) 3.927 9.291 ( -8.239 2.304 4.727) 9.774 9.436 ( -2.717 -0.321 2.366) 3.617 9.575 ( 5.684 1.089 0.136) 5.789 9.673 ( 2.798 -1.073 2.531) 3.922 9.837 ( -2.931 3.945 0.884) 4.993 10.022 ( 0.518 -2.516 -4.954) 5.580 10.215 ( 3.457 5.271 0.330) 6.312 10.255 ( 0.328 0.919 -2.467) 2.653 10.519 ( 0.230 4.914 -7.307) 8.809 10.669 ( 4.669 -3.637 -8.818) 10.620 11.102 ( -4.773 0.528 11.368) 12.341 11.401 ( -2.405 -1.006 1.234) 2.884 11.595 ( 0.277 0.677 3.695) 3.767 11.637 ( 0.105 -3.091 -3.330) 4.544 11.789 ( 0.132 0.375 -2.407) 2.440 11.868 ( 0.749 4.202 -3.673) 5.631 12.027 ( 2.432 1.100 -2.556) 3.695 12.060 ( 3.535 0.725 -4.812) 6.014 12.220 ( -1.525 1.057 6.650) 6.904 12.272 ( 0.495 -1.404 5.376) 5.579 12.310 ( 1.338 -0.908 1.033) 1.918 12.380 ( -3.396 -1.214 -3.242) 4.849 12.634 ( -2.941 0.796 3.861) 4.918 12.725 ( 3.587 0.638 -4.024) 5.428 12.756 ( -1.321 -0.331 -2.212) 2.598 12.910 ( -2.014 -3.360 0.251) 3.925 13.291 ( 0.940 1.584 3.907) 4.319 13.333 ( 2.141 1.662 0.780) 2.820 13.358 ( -3.714 1.693 4.530) 6.098 13.417 ( -1.474 -1.698 -3.427) 4.099 13.470 ( 6.876 1.264 1.105) 7.078 13.528 ( -5.561 -2.944 -2.916) 6.935 13.606 ( 6.061 -6.329 2.367) 9.077 13.767 ( -0.160 -2.311 2.115) 3.137 14.164 ( 1.662 1.833 -2.742) 3.694 14.228 ( 1.482 -3.496 -3.410) 5.103 14.622 ( -3.300 5.028 3.814) 7.122 14.664 ( 1.879 0.170 5.476) 5.792 14.821 ( -1.811 1.540 -1.394) 2.756 14.869 ( 3.016 -3.522 -0.332) 4.649 15.519 ( 4.565 0.001 2.608) 5.258 15.656 ( -11.853 0.281 -7.338) 13.944 16.309 ( 4.195 2.694 5.712) 7.582 16.412 ( -4.530 9.713 -0.568) 10.732 16.646 ( -6.418 -11.709 1.494) 13.436 17.257 ( 6.932 -2.072 -9.992) 12.337 17.786 ( 0.176 -0.368 8.916) 8.926 18.296 ( 1.724 0.860 -4.592) 4.980 20.519 ( -1.789 -1.114 -0.803) 2.255 20.565 ( 1.511 -0.610 -0.447) 1.689 21.147 ( -1.367 0.079 1.828) 2.284 21.322 ( -1.519 0.270 -2.228) 2.710 21.417 ( -1.699 3.627 -2.007) 4.480 21.543 ( -0.194 1.763 -3.854) 4.242 21.665 ( -0.651 -1.198 2.213) 2.599 21.821 ( -1.829 -1.204 -1.611) 2.719 21.957 ( -0.986 2.641 1.860) 3.378 22.010 ( 1.859 -2.133 0.252) 2.840 22.121 ( -2.630 -1.240 4.255) 5.153 22.286 ( 4.017 4.424 0.133) 5.977 22.388 ( 4.041 -4.890 5.086) 8.130 22.725 ( 3.539 1.191 7.406) 8.294 22.896 ( -0.759 4.712 -4.338) 6.449 23.086 ( -5.801 -8.454 -4.837) 11.336 23.211 ( 1.731 -0.900 -3.428) 3.944 23.245 ( 0.880 -0.826 0.611) 1.353 23.435 ( -1.245 1.538 -1.025) 2.229 23.460 ( -0.753 -0.797 -0.805) 1.361 23.558 ( 1.233 0.770 0.910) 1.715 23.582 ( -0.546 0.711 2.228) 2.401 23.779 ( -3.114 1.077 -2.085) 3.899 23.896 ( 6.017 1.772 -8.144) 10.279 24.258 ( -0.430 0.214 0.250) 0.542 24.273 ( 0.407 -0.303 0.203) 0.546 24.623 ( -3.932 2.494 5.580) 7.267 24.837 ( 3.903 2.634 0.795) 4.775 25.548 ( -0.605 -0.186 1.052) 1.228 25.609 ( -0.246 -0.433 -0.365) 0.617 ======================= Grid point 54 (32/52) ======================= q-point: (-0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -11.424 13.265 15.375) 23.299 1.619 ( -4.169 17.309 2.759) 18.017 1.910 ( -5.565 -8.590 8.381) 13.229 1.987 ( -3.107 -8.374 1.133) 9.003 2.159 ( 5.638 3.074 -2.858) 7.029 2.278 ( 3.516 3.271 3.094) 5.713 2.333 ( -1.204 1.498 0.098) 1.924 2.364 ( 0.639 -0.177 -0.393) 0.771 2.467 ( 0.592 1.130 -3.132) 3.382 2.564 ( 4.956 1.489 -1.575) 5.410 2.602 ( -0.141 3.407 -1.772) 3.843 2.661 ( -0.378 1.977 -1.772) 2.682 2.734 ( 2.138 -0.409 -5.068) 5.516 2.834 ( -0.261 4.018 1.536) 4.310 2.871 ( 5.512 0.662 -0.487) 5.573 2.926 ( 5.669 1.341 2.401) 6.301 2.968 ( -3.050 1.514 0.403) 3.429 3.021 ( -4.917 6.359 -1.120) 8.116 3.087 ( -0.960 5.846 1.794) 6.190 3.215 ( 2.944 1.666 4.626) 5.731 3.230 ( -1.868 2.827 0.656) 3.451 3.279 ( 2.926 -2.013 2.169) 4.162 3.302 ( -5.721 4.770 0.305) 7.455 3.511 ( -4.317 -0.323 1.588) 4.611 3.591 ( -3.716 -0.830 -1.690) 4.166 3.723 ( -2.881 5.192 1.740) 6.187 3.819 ( -4.576 2.788 1.000) 5.451 3.900 ( -5.065 0.529 1.412) 5.285 3.959 ( 2.926 2.156 -1.931) 4.116 4.018 ( 3.441 0.116 -4.011) 5.286 4.067 ( -2.684 0.188 -7.230) 7.714 4.181 ( 0.906 3.285 -1.202) 3.613 4.285 ( 2.304 2.099 6.698) 7.387 4.289 ( 4.550 -0.123 1.443) 4.775 4.404 ( 1.647 -0.391 -0.155) 1.700 4.481 ( -1.159 1.442 -4.320) 4.699 4.529 ( 1.977 2.242 3.357) 4.495 4.575 ( 3.104 0.735 -5.456) 6.320 4.600 ( 1.474 -2.258 -4.873) 5.570 4.662 ( -0.962 2.701 0.610) 2.932 4.809 ( 1.622 -0.711 -3.542) 3.960 4.845 ( -2.920 2.343 -0.545) 3.783 4.927 ( -4.666 -5.258 1.993) 7.307 4.970 ( 4.661 3.878 3.577) 7.040 5.018 ( 9.285 -3.228 0.265) 9.834 5.185 ( 1.015 0.133 5.312) 5.410 5.191 ( -2.114 4.140 0.577) 4.684 5.320 ( -2.235 -1.035 -1.628) 2.952 5.448 ( -2.528 -0.426 -0.738) 2.668 5.543 ( -7.199 1.450 1.083) 7.423 5.701 ( -2.399 -0.502 -8.516) 8.862 5.799 ( 2.508 4.542 -0.090) 5.189 5.849 ( 6.595 4.618 -2.012) 8.299 5.952 ( 0.991 1.885 -1.062) 2.379 6.001 ( 1.535 -0.906 -0.125) 1.787 6.024 ( 6.000 -6.291 -3.213) 9.268 6.208 ( -3.230 -0.536 5.988) 6.825 6.262 ( -2.299 -0.371 3.565) 4.258 6.325 ( -4.772 -2.698 -0.395) 5.496 6.343 ( -2.823 -0.102 0.965) 2.985 6.451 ( 3.807 0.210 8.675) 9.476 6.547 ( -1.097 -5.163 2.409) 5.801 6.701 ( 3.593 -0.727 -2.342) 4.350 6.906 ( -3.942 -1.604 -0.120) 4.257 6.950 ( 1.886 -3.517 -5.347) 6.672 7.231 ( -6.067 -1.111 -2.320) 6.590 7.585 ( -2.696 0.524 6.618) 7.165 7.711 ( 2.624 -1.216 0.216) 2.900 7.725 ( 2.048 -2.046 1.365) 3.201 7.757 ( 0.778 -0.726 -0.033) 1.065 7.815 ( 2.356 -3.916 -2.605) 5.260 7.996 ( 0.591 -1.136 -5.079) 5.238 8.073 ( 3.298 -2.631 -3.571) 5.527 8.089 ( 0.894 -3.297 -3.101) 4.614 8.245 ( 8.089 0.230 2.982) 8.624 8.409 ( 6.409 0.113 -3.939) 7.524 8.436 ( -2.612 4.593 4.024) 6.641 8.507 ( -4.994 -1.422 5.354) 7.459 8.559 ( -1.697 -0.609 5.562) 5.847 8.603 ( -0.231 -4.677 0.014) 4.683 8.756 ( -4.667 -0.546 0.117) 4.700 9.132 ( 1.610 1.705 -3.397) 4.127 9.147 ( 0.943 0.175 -3.039) 3.187 9.164 ( -7.334 1.056 4.419) 8.627 9.217 ( 0.153 2.187 5.345) 5.777 9.372 ( -5.233 -0.846 2.264) 5.764 9.651 ( 1.349 1.632 -2.548) 3.313 9.708 ( -1.192 6.189 2.438) 6.758 9.824 ( 2.350 -3.347 2.304) 4.694 9.979 ( -1.678 -1.642 -2.328) 3.307 10.201 ( -2.615 2.262 -5.003) 6.081 10.288 ( 3.550 4.338 -1.285) 5.751 10.501 ( 3.700 6.445 -7.112) 10.286 10.726 ( 7.207 -6.173 -7.791) 12.278 11.108 ( -3.531 0.102 11.076) 11.626 11.347 ( -4.474 -1.174 2.988) 5.507 11.525 ( -4.764 -0.664 -0.270) 4.818 11.694 ( 3.034 -1.004 1.791) 3.663 11.787 ( 0.706 0.817 -0.454) 1.171 11.910 ( 5.612 2.867 -4.312) 7.636 12.028 ( 1.756 3.279 -6.623) 7.596 12.097 ( 1.995 -2.621 -1.022) 3.449 12.223 ( -1.048 1.868 2.740) 3.477 12.277 ( -2.682 0.990 1.566) 3.260 12.321 ( -1.744 -2.097 -1.307) 3.024 12.374 ( 4.155 -0.221 3.967) 5.749 12.602 ( -3.972 0.407 4.809) 6.250 12.701 ( -1.940 0.128 -1.226) 2.298 12.809 ( 5.925 -1.149 -2.113) 6.394 12.877 ( -0.502 -3.513 -1.860) 4.007 13.190 ( -6.915 2.933 0.023) 7.512 13.290 ( -2.098 -1.920 -5.722) 6.390 13.385 ( -1.351 -2.124 1.951) 3.185 13.433 ( 0.667 -0.119 0.962) 1.177 13.510 ( 3.026 0.725 5.276) 6.125 13.592 ( 2.441 -1.167 4.811) 5.520 13.745 ( 0.373 -0.886 -1.768) 2.012 13.804 ( 9.851 -2.755 0.564) 10.245 14.148 ( 0.845 -0.567 -1.041) 1.455 14.294 ( 3.982 -0.508 -0.667) 4.069 14.596 ( -0.824 2.757 1.955) 3.479 14.653 ( -2.553 -2.159 -0.079) 3.344 14.777 ( -3.646 1.871 -1.424) 4.338 14.994 ( 8.913 0.528 3.385) 9.549 15.341 ( -15.632 0.516 -6.029) 16.762 15.639 ( 4.265 -1.019 4.789) 6.493 16.217 ( -7.459 8.509 -3.444) 11.828 16.389 ( -4.596 -4.562 0.362) 6.486 16.588 ( -0.285 -3.335 4.920) 5.951 17.296 ( 3.148 -1.513 -5.939) 6.890 17.865 ( 2.055 -1.235 3.901) 4.579 18.293 ( 1.723 0.959 -4.817) 5.205 20.498 ( -0.137 -0.611 1.204) 1.357 20.604 ( 2.598 -1.016 -0.248) 2.801 21.116 ( -3.185 0.203 2.068) 3.803 21.264 ( -1.703 0.126 -2.912) 3.375 21.401 ( 0.116 2.364 1.076) 2.600 21.528 ( 1.172 1.671 -1.847) 2.753 21.659 ( -1.941 0.672 2.347) 3.118 21.777 ( -1.534 -0.939 -1.799) 2.544 21.901 ( -3.176 1.480 -1.271) 3.727 22.093 ( 3.620 0.140 3.754) 5.217 22.108 ( -1.147 -0.220 2.349) 2.623 22.247 ( -2.298 -2.333 -3.644) 4.900 22.623 ( 10.429 0.102 9.758) 14.283 22.800 ( -5.217 3.184 -6.699) 9.068 22.856 ( 3.052 -0.337 6.975) 7.621 22.890 ( -6.430 -4.481 -9.995) 12.702 23.249 ( 2.604 -0.161 1.080) 2.823 23.275 ( 1.836 -1.076 -1.359) 2.525 23.417 ( -1.182 0.662 0.784) 1.565 23.450 ( 0.319 -1.531 -0.129) 1.569 23.581 ( -1.234 0.333 2.397) 2.717 23.602 ( 3.113 0.338 0.074) 3.132 23.709 ( -2.452 0.566 -2.039) 3.238 23.997 ( 9.774 2.147 -5.950) 11.643 24.243 ( -0.689 -0.205 0.084) 0.724 24.278 ( -0.005 0.254 -0.267) 0.369 24.543 ( -8.167 2.506 3.976) 9.423 24.891 ( 1.510 2.786 -1.370) 3.452 25.548 ( -0.406 -0.130 1.528) 1.587 25.604 ( -0.033 -0.449 -0.151) 0.475 ======================= Grid point 70 (33/52) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 9.372 0.000 18.420) 20.667 1.122 ( -7.865 0.000 -6.658) 10.305 1.394 ( -0.167 0.000 25.310) 25.310 1.562 ( 9.997 0.000 -3.193) 10.495 1.571 ( -5.815 0.000 -4.097) 7.114 1.909 ( -2.353 0.000 -20.418) 20.554 1.917 ( -5.174 0.000 30.802) 31.233 2.137 ( 8.328 0.000 3.554) 9.055 2.289 ( -5.662 0.000 5.040) 7.580 2.318 ( 8.520 0.000 -2.784) 8.963 2.335 ( -3.513 0.000 0.502) 3.549 2.466 ( 3.236 0.000 -3.082) 4.469 2.476 ( 3.319 0.000 4.747) 5.792 2.687 ( -3.296 0.000 -12.813) 13.230 2.727 ( 3.343 0.000 10.961) 11.460 2.831 ( 1.854 0.000 3.392) 3.865 2.843 ( -2.207 0.000 2.784) 3.553 2.950 ( -1.495 0.000 -3.003) 3.354 3.010 ( -4.367 0.000 -7.726) 8.875 3.073 ( 5.218 0.000 -6.831) 8.596 3.104 ( -1.501 0.000 0.450) 1.567 3.138 ( 1.430 0.000 -2.438) 2.826 3.443 ( 0.637 0.000 4.811) 4.853 3.508 ( -2.780 0.000 -0.639) 2.853 3.603 ( 3.249 0.000 3.852) 5.039 3.608 ( -4.688 0.000 1.497) 4.921 3.657 ( 1.592 0.000 4.537) 4.808 3.728 ( 1.663 0.000 1.947) 2.561 3.729 ( 0.255 0.000 0.974) 1.006 3.777 ( -0.641 0.000 -3.525) 3.583 3.804 ( 2.038 0.000 0.409) 2.079 3.858 ( -4.358 0.000 -5.468) 6.992 4.111 ( 1.211 0.000 1.056) 1.606 4.130 ( -1.602 0.000 1.420) 2.141 4.312 ( 6.005 0.000 -4.689) 7.619 4.338 ( -5.580 0.000 -6.313) 8.425 4.477 ( 4.808 0.000 2.754) 5.541 4.521 ( -8.296 0.000 7.855) 11.425 4.722 ( 3.041 0.000 -3.497) 4.635 4.850 ( -6.955 0.000 3.431) 7.755 4.856 ( -4.313 0.000 -1.168) 4.468 4.937 ( 9.927 0.000 -1.544) 10.047 4.971 ( 2.640 0.000 -1.175) 2.890 4.980 ( -4.039 0.000 -6.391) 7.560 5.100 ( 3.699 0.000 4.230) 5.620 5.114 ( 2.791 0.000 7.582) 8.080 5.245 ( -2.085 0.000 -10.098) 10.311 5.277 ( -2.267 0.000 -4.530) 5.066 5.474 ( -1.532 0.000 3.888) 4.179 5.567 ( -1.385 0.000 1.226) 1.849 5.593 ( -0.205 0.000 -5.043) 5.047 5.615 ( -1.809 0.000 -4.661) 4.999 5.840 ( 0.988 0.000 6.359) 6.435 5.916 ( 0.288 0.000 1.406) 1.435 6.031 ( -2.849 0.000 2.988) 4.129 6.128 ( 7.084 0.000 -6.267) 9.459 6.183 ( -2.748 0.000 0.118) 2.750 6.234 ( 0.875 0.000 -3.417) 3.528 6.393 ( -8.821 0.000 4.181) 9.762 6.483 ( 11.413 0.000 -4.161) 12.148 6.644 ( -2.204 0.000 5.512) 5.937 6.754 ( 4.872 0.000 -4.388) 6.557 6.800 ( -5.261 0.000 6.803) 8.600 6.873 ( 2.575 0.000 7.730) 8.148 6.945 ( 4.294 0.000 -7.200) 8.383 7.043 ( -1.313 0.000 -7.528) 7.642 7.742 ( -2.912 0.000 7.452) 8.000 7.779 ( -2.170 0.000 2.622) 3.403 7.858 ( 1.702 0.000 1.382) 2.192 7.975 ( 7.622 0.000 -5.655) 9.491 7.989 ( 1.164 0.000 -1.390) 1.813 8.010 ( -3.768 0.000 -1.681) 4.126 8.214 ( 1.060 0.000 2.430) 2.651 8.313 ( 1.802 0.000 -2.732) 3.273 8.414 ( 0.825 0.000 -1.430) 1.651 8.458 ( -2.504 0.000 -1.756) 3.058 8.512 ( -2.171 0.000 3.157) 3.831 8.622 ( 2.342 0.000 -5.079) 5.593 8.639 ( -1.002 0.000 1.629) 1.913 8.646 ( -1.160 0.000 5.010) 5.143 8.818 ( 1.803 0.000 3.807) 4.213 8.966 ( 1.604 0.000 -6.320) 6.520 9.040 ( -6.433 0.000 1.254) 6.554 9.076 ( 2.020 0.000 -1.346) 2.427 9.168 ( 1.519 0.000 -1.838) 2.384 9.200 ( 2.142 0.000 -3.839) 4.396 9.606 ( -0.440 0.000 5.533) 5.551 9.616 ( -0.745 0.000 2.888) 2.982 9.866 ( -6.087 0.000 8.664) 10.589 9.939 ( 2.611 0.000 2.025) 3.304 9.939 ( -2.312 0.000 2.067) 3.101 10.117 ( 2.507 0.000 -13.298) 13.532 10.291 ( 1.128 0.000 2.490) 2.733 10.367 ( 0.574 0.000 -4.404) 4.441 11.270 ( 1.684 0.000 2.235) 2.799 11.314 ( -0.185 0.000 -2.010) 2.019 11.613 ( -8.490 0.000 3.285) 9.103 11.691 ( 3.187 0.000 -3.340) 4.617 11.729 ( 5.359 0.000 -0.593) 5.392 11.755 ( -1.378 0.000 -2.068) 2.485 12.078 ( -0.007 0.000 2.700) 2.700 12.119 ( -3.495 0.000 -1.389) 3.760 12.277 ( -0.335 0.000 5.318) 5.329 12.365 ( -2.541 0.000 -1.423) 2.912 12.399 ( 2.709 0.000 5.620) 6.239 12.526 ( -3.090 0.000 -5.007) 5.884 12.572 ( -2.620 0.000 2.700) 3.762 12.690 ( 8.140 0.000 -6.461) 10.393 13.039 ( -4.982 0.000 8.515) 9.865 13.245 ( 3.317 0.000 -9.941) 10.480 13.282 ( -3.426 0.000 5.063) 6.113 13.367 ( 4.799 0.000 -3.709) 6.065 13.572 ( 2.418 0.000 3.124) 3.951 13.578 ( 2.097 0.000 6.286) 6.626 13.615 ( 14.027 0.000 3.494) 14.455 13.665 ( -3.962 0.000 -1.730) 4.324 13.675 ( -12.753 0.000 -1.515) 12.842 13.770 ( -0.695 0.000 -8.203) 8.233 14.049 ( 6.222 0.000 -0.633) 6.254 14.093 ( -7.616 0.000 -4.946) 9.082 14.762 ( -12.649 0.000 3.368) 13.090 14.773 ( 13.624 0.000 2.538) 13.858 14.965 ( 22.668 0.000 1.786) 22.738 15.000 ( -10.824 0.000 -1.253) 10.896 15.381 ( 4.291 0.000 2.218) 4.830 15.465 ( -3.650 0.000 -5.520) 6.617 16.035 ( 4.112 0.000 6.520) 7.709 16.158 ( -3.182 0.000 -5.089) 6.002 17.218 ( -32.992 0.000 1.654) 33.034 17.258 ( 16.338 0.000 -2.143) 16.478 17.893 ( -4.281 0.000 8.333) 9.368 18.058 ( 3.620 0.000 -7.309) 8.156 20.783 ( 6.957 0.000 -0.238) 6.961 20.786 ( -2.495 0.000 -0.740) 2.602 21.189 ( 1.745 0.000 2.414) 2.979 21.223 ( -1.118 0.000 -0.666) 1.301 21.273 ( -7.814 0.000 0.296) 7.820 21.276 ( 10.635 0.000 -0.027) 10.635 21.565 ( 4.990 0.000 1.666) 5.261 21.635 ( -7.239 0.000 -5.479) 9.079 21.937 ( 1.524 0.000 -0.156) 1.532 21.945 ( -1.260 0.000 -1.016) 1.619 22.375 ( 6.378 0.000 4.810) 7.989 22.427 ( -8.038 0.000 0.322) 8.044 22.609 ( 4.513 0.000 -2.017) 4.943 22.616 ( 0.014 0.000 -2.248) 2.248 23.031 ( 13.927 0.000 0.824) 13.951 23.039 ( -6.054 0.000 -0.126) 6.056 23.205 ( -13.273 0.000 1.758) 13.389 23.220 ( 2.453 0.000 -0.677) 2.544 23.319 ( -5.009 0.000 5.481) 7.425 23.435 ( 0.916 0.000 -4.193) 4.292 23.582 ( 1.833 0.000 0.289) 1.856 23.583 ( -3.641 0.000 0.153) 3.644 23.745 ( 0.827 0.000 3.345) 3.446 23.810 ( 1.241 0.000 -2.995) 3.242 24.179 ( -4.707 0.000 5.510) 7.246 24.247 ( -2.317 0.000 0.507) 2.372 24.249 ( 0.341 0.000 -0.616) 0.705 24.307 ( 6.293 0.000 -5.472) 8.339 25.677 ( 0.478 0.000 0.808) 0.939 25.695 ( 0.305 0.000 -0.903) 0.953 ======================= Grid point 71 (34/52) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -3.269 0.000 -10.454) 10.953 1.190 ( 14.746 0.000 14.895) 20.960 1.414 ( -8.894 0.000 -6.002) 10.730 1.570 ( 2.435 0.000 22.710) 22.841 1.657 ( -4.644 0.000 -24.282) 24.722 1.747 ( 10.207 0.000 0.290) 10.211 1.989 ( -19.046 0.000 -7.501) 20.470 2.089 ( 0.827 0.000 11.467) 11.497 2.265 ( 3.464 0.000 2.509) 4.277 2.335 ( -1.602 0.000 3.725) 4.055 2.380 ( 0.051 0.000 -4.634) 4.635 2.468 ( -0.216 0.000 -2.820) 2.829 2.591 ( 3.340 0.000 -13.623) 14.026 2.669 ( 5.832 0.000 10.284) 11.823 2.770 ( -1.914 0.000 5.096) 5.444 2.786 ( -1.818 0.000 -15.491) 15.597 2.869 ( -0.937 0.000 7.490) 7.548 2.882 ( -0.371 0.000 3.479) 3.499 2.960 ( -0.497 0.000 -2.087) 2.146 3.033 ( -10.249 0.000 -1.212) 10.320 3.114 ( 2.918 0.000 -0.539) 2.968 3.136 ( 3.978 0.000 -4.903) 6.313 3.411 ( -6.601 0.000 1.524) 6.774 3.467 ( -1.909 0.000 3.851) 4.299 3.540 ( 2.490 0.000 -2.005) 3.197 3.698 ( -0.827 0.000 5.922) 5.980 3.722 ( 6.347 0.000 0.846) 6.403 3.726 ( -0.766 0.000 -3.811) 3.887 3.763 ( -1.537 0.000 0.024) 1.537 3.764 ( -1.484 0.000 -1.818) 2.347 3.832 ( 7.066 0.000 -1.177) 7.163 3.861 ( 1.362 0.000 6.285) 6.430 4.100 ( -2.001 0.000 0.432) 2.047 4.112 ( 0.283 0.000 -3.333) 3.345 4.240 ( -1.672 0.000 1.621) 2.328 4.323 ( -9.739 0.000 0.529) 9.753 4.438 ( 5.410 0.000 1.639) 5.652 4.619 ( 3.094 0.000 6.115) 6.853 4.707 ( -8.676 0.000 2.046) 8.914 4.734 ( -2.324 0.000 -11.245) 11.483 4.832 ( -5.765 0.000 1.338) 5.918 4.850 ( 4.469 0.000 7.890) 9.067 5.057 ( 4.967 0.000 2.226) 5.443 5.060 ( 3.931 0.000 -3.342) 5.159 5.144 ( -0.464 0.000 -8.533) 8.546 5.180 ( 0.954 0.000 -1.210) 1.541 5.209 ( 0.658 0.000 -5.388) 5.428 5.299 ( 9.655 0.000 5.455) 11.089 5.495 ( -0.307 0.000 6.307) 6.314 5.545 ( -3.206 0.000 1.568) 3.569 5.563 ( 0.998 0.000 -4.901) 5.002 5.564 ( -1.040 0.000 4.534) 4.652 5.860 ( -2.363 0.000 2.904) 3.744 5.883 ( -2.769 0.000 -3.431) 4.409 6.015 ( 0.301 0.000 1.337) 1.370 6.118 ( -0.425 0.000 -4.818) 4.837 6.160 ( -1.972 0.000 4.216) 4.654 6.306 ( 6.923 0.000 -2.489) 7.356 6.309 ( -2.961 0.000 3.581) 4.646 6.626 ( -2.947 0.000 3.879) 4.871 6.663 ( 6.539 0.000 -6.282) 9.068 6.767 ( -3.575 0.000 6.211) 7.166 6.790 ( 5.846 0.000 -9.853) 11.457 6.927 ( -0.716 0.000 -6.501) 6.540 6.960 ( 0.119 0.000 8.599) 8.600 7.051 ( 9.849 0.000 -9.564) 13.728 7.730 ( -3.672 0.000 6.196) 7.202 7.767 ( -1.360 0.000 2.732) 3.052 7.866 ( -1.394 0.000 -1.259) 1.878 7.935 ( -0.422 0.000 -9.158) 9.167 7.938 ( -2.572 0.000 1.105) 2.799 8.090 ( 4.760 0.000 -2.871) 5.559 8.255 ( 0.415 0.000 3.335) 3.361 8.305 ( 2.969 0.000 -7.710) 8.262 8.396 ( -2.037 0.000 -0.915) 2.233 8.454 ( 0.772 0.000 3.384) 3.471 8.487 ( -2.699 0.000 4.633) 5.362 8.589 ( -0.797 0.000 -6.424) 6.473 8.609 ( -3.619 0.000 2.556) 4.431 8.620 ( -5.435 0.000 -0.208) 5.439 8.815 ( -5.651 0.000 4.980) 7.532 8.908 ( 0.865 0.000 -9.531) 9.570 8.959 ( -2.114 0.000 8.079) 8.351 9.110 ( -1.180 0.000 4.202) 4.364 9.220 ( 1.298 0.000 -2.666) 2.965 9.240 ( 8.520 0.000 -5.342) 10.056 9.588 ( -3.959 0.000 -0.262) 3.968 9.613 ( -1.408 0.000 5.982) 6.146 9.713 ( -9.554 0.000 1.277) 9.639 9.896 ( -3.948 0.000 -1.205) 4.128 10.062 ( 6.084 0.000 7.700) 9.813 10.148 ( 3.866 0.000 -2.823) 4.788 10.332 ( -0.709 0.000 -4.476) 4.532 10.346 ( 4.148 0.000 -1.575) 4.437 11.322 ( 2.368 0.000 -1.928) 3.053 11.341 ( 4.626 0.000 -0.095) 4.627 11.471 ( -9.731 0.000 7.025) 12.002 11.706 ( 0.528 0.000 -2.776) 2.826 11.713 ( -0.812 0.000 -2.799) 2.914 11.787 ( 0.357 0.000 -1.489) 1.531 12.092 ( 1.658 0.000 1.803) 2.450 12.113 ( 0.032 0.000 4.518) 4.518 12.312 ( -0.377 0.000 5.811) 5.824 12.332 ( 0.640 0.000 -1.021) 1.205 12.440 ( -0.375 0.000 -6.484) 6.495 12.495 ( 1.713 0.000 7.155) 7.357 12.543 ( -1.844 0.000 0.788) 2.006 12.788 ( 7.406 0.000 -8.778) 11.485 13.002 ( -6.577 0.000 10.079) 12.035 13.221 ( 1.605 0.000 -7.460) 7.630 13.240 ( -4.419 0.000 4.327) 6.185 13.345 ( -13.296 0.000 -4.920) 14.177 13.407 ( 1.851 0.000 -5.012) 5.343 13.537 ( -4.890 0.000 -2.937) 5.704 13.642 ( -0.574 0.000 7.075) 7.098 13.678 ( 2.936 0.000 1.419) 3.261 13.721 ( 0.780 0.000 -6.407) 6.455 13.932 ( 12.322 0.000 1.302) 12.390 13.972 ( -1.865 0.000 -0.792) 2.026 14.178 ( 5.752 0.000 2.007) 6.093 14.538 ( -12.581 0.000 -0.049) 12.581 14.773 ( -4.334 0.000 -6.926) 8.171 15.036 ( 12.799 0.000 -1.056) 12.842 15.137 ( -4.861 0.000 -3.082) 5.755 15.308 ( -5.952 0.000 -4.696) 7.581 15.439 ( -0.283 0.000 2.736) 2.750 16.096 ( 0.383 0.000 -4.680) 4.696 16.144 ( -3.241 0.000 5.062) 6.011 16.921 ( 1.136 0.000 12.199) 12.251 17.554 ( 9.995 0.000 6.100) 11.709 17.884 ( -3.193 0.000 8.479) 9.061 18.076 ( 3.815 0.000 -7.038) 8.006 20.672 ( -6.439 0.000 -2.868) 7.049 20.818 ( -0.426 0.000 -4.047) 4.069 21.164 ( -2.596 0.000 -1.082) 2.812 21.188 ( -1.659 0.000 -2.499) 3.000 21.245 ( 2.002 0.000 1.462) 2.479 21.420 ( -1.226 0.000 -2.621) 2.894 21.546 ( 6.689 0.000 -0.523) 6.710 21.680 ( 3.958 0.000 3.642) 5.379 21.925 ( -0.188 0.000 -0.582) 0.611 21.972 ( 2.357 0.000 -0.177) 2.364 22.281 ( -7.439 0.000 -1.401) 7.570 22.469 ( -3.927 0.000 2.257) 4.530 22.587 ( -3.664 0.000 -0.043) 3.664 22.601 ( 4.945 0.000 -3.703) 6.178 22.897 ( -5.563 0.000 -3.711) 6.687 23.058 ( -5.605 0.000 11.005) 12.350 23.163 ( -0.028 0.000 -5.453) 5.453 23.332 ( 5.637 0.000 8.177) 9.932 23.382 ( 4.783 0.000 6.130) 7.775 23.417 ( 0.358 0.000 -5.303) 5.316 23.560 ( 0.634 0.000 1.998) 2.096 23.633 ( 2.349 0.000 0.880) 2.509 23.787 ( -1.696 0.000 -2.563) 3.074 23.817 ( 5.440 0.000 -2.820) 6.128 24.155 ( -1.018 0.000 5.685) 5.775 24.246 ( 1.065 0.000 1.356) 1.724 24.262 ( 1.822 0.000 -1.227) 2.197 24.408 ( 7.732 0.000 -4.392) 8.892 25.670 ( -1.782 0.000 -1.286) 2.198 25.677 ( -0.898 0.000 0.066) 0.901 ======================= Grid point 72 (35/52) ======================= q-point: (-0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 6.586 0.000 -3.440) 7.430 1.136 ( -14.210 0.000 -6.319) 15.552 1.435 ( 5.643 0.000 -17.785) 18.659 1.505 ( -25.569 0.000 -5.540) 26.162 1.602 ( 12.848 0.000 8.136) 15.208 1.815 ( 6.601 0.000 15.739) 17.067 1.948 ( 9.286 0.000 0.049) 9.286 2.066 ( -3.732 0.000 -1.379) 3.979 2.257 ( -2.827 0.000 -4.569) 5.374 2.325 ( -10.563 0.000 -7.006) 12.676 2.361 ( 0.848 0.000 3.397) 3.501 2.392 ( 5.232 0.000 -3.555) 6.325 2.574 ( -1.414 0.000 -0.093) 1.417 2.621 ( -15.402 0.000 4.905) 16.164 2.639 ( -13.680 0.000 3.656) 14.160 2.714 ( 7.511 0.000 -15.457) 17.185 2.879 ( -1.019 0.000 2.844) 3.021 2.908 ( 1.577 0.000 -0.960) 1.846 2.971 ( 2.724 0.000 0.121) 2.726 2.998 ( 3.415 0.000 3.246) 4.712 3.164 ( 3.432 0.000 -3.242) 4.721 3.177 ( 2.187 0.000 -4.179) 4.717 3.400 ( 1.796 0.000 10.698) 10.848 3.469 ( 1.586 0.000 -0.752) 1.756 3.603 ( 0.901 0.000 -2.189) 2.367 3.651 ( -0.585 0.000 -2.012) 2.096 3.670 ( -7.253 0.000 5.958) 9.386 3.725 ( -1.073 0.000 -1.722) 2.029 3.753 ( -0.674 0.000 -3.476) 3.541 3.762 ( 2.815 0.000 -4.190) 5.048 3.956 ( 0.507 0.000 10.656) 10.668 3.973 ( 6.124 0.000 -0.954) 6.198 4.084 ( 0.442 0.000 5.493) 5.511 4.103 ( -1.088 0.000 -3.613) 3.773 4.237 ( -0.803 0.000 1.968) 2.125 4.249 ( 0.409 0.000 7.258) 7.269 4.426 ( -7.427 0.000 0.646) 7.456 4.550 ( -2.351 0.000 -13.162) 13.370 4.694 ( 4.529 0.000 5.011) 6.755 4.722 ( 2.024 0.000 0.888) 2.211 4.798 ( -1.290 0.000 4.154) 4.350 4.898 ( -2.771 0.000 -1.001) 2.946 5.080 ( -1.673 0.000 -3.863) 4.210 5.111 ( 0.165 0.000 -9.300) 9.301 5.123 ( 3.514 0.000 -0.458) 3.544 5.196 ( 4.509 0.000 -0.064) 4.510 5.231 ( 1.427 0.000 9.976) 10.078 5.462 ( 4.306 0.000 1.440) 4.540 5.518 ( -2.661 0.000 3.347) 4.276 5.535 ( -1.136 0.000 3.865) 4.028 5.580 ( 3.012 0.000 -0.945) 3.157 5.603 ( 2.855 0.000 3.516) 4.529 5.788 ( -1.351 0.000 -9.716) 9.810 5.797 ( -4.500 0.000 -1.334) 4.694 6.067 ( -0.439 0.000 3.348) 3.377 6.108 ( 2.809 0.000 -3.180) 4.243 6.195 ( 3.596 0.000 9.963) 10.592 6.325 ( 1.729 0.000 3.574) 3.971 6.399 ( 3.481 0.000 -1.188) 3.678 6.589 ( -6.319 0.000 -6.822) 9.299 6.601 ( -3.523 0.000 4.983) 6.103 6.751 ( -2.978 0.000 5.480) 6.237 6.802 ( 2.392 0.000 -12.437) 12.665 6.895 ( 3.428 0.000 -8.125) 8.818 6.995 ( -4.019 0.000 10.016) 10.792 7.182 ( 10.144 0.000 -11.764) 15.533 7.697 ( -3.868 0.000 4.736) 6.115 7.772 ( 0.114 0.000 2.639) 2.641 7.857 ( 2.120 0.000 -0.657) 2.219 7.860 ( 0.350 0.000 -8.457) 8.464 7.900 ( -3.192 0.000 2.517) 4.065 8.069 ( -2.707 0.000 -6.227) 6.790 8.308 ( 1.923 0.000 2.528) 3.176 8.331 ( 5.484 0.000 -6.793) 8.730 8.339 ( -4.808 0.000 2.585) 5.459 8.452 ( -3.086 0.000 2.199) 3.789 8.487 ( -2.168 0.000 2.918) 3.635 8.517 ( -1.369 0.000 1.359) 1.929 8.527 ( -0.427 0.000 -5.603) 5.619 8.571 ( -0.598 0.000 -0.529) 0.798 8.740 ( -5.763 0.000 5.577) 8.020 8.876 ( 2.718 0.000 -8.757) 9.169 9.045 ( 1.712 0.000 10.195) 10.338 9.114 ( -0.720 0.000 2.336) 2.444 9.215 ( 0.185 0.000 0.949) 0.967 9.352 ( 4.904 0.000 -2.889) 5.692 9.496 ( -1.245 0.000 -4.863) 5.020 9.524 ( -9.648 0.000 2.307) 9.920 9.701 ( 4.939 0.000 1.218) 5.087 9.817 ( -4.062 0.000 -0.814) 4.142 10.179 ( -0.039 0.000 2.613) 2.613 10.208 ( 1.313 0.000 8.480) 8.582 10.290 ( 1.223 0.000 -4.703) 4.860 10.394 ( 2.875 0.000 -4.836) 5.626 11.352 ( -6.014 0.000 4.420) 7.464 11.358 ( 2.506 0.000 -1.269) 2.809 11.447 ( 3.830 0.000 3.505) 5.192 11.666 ( -0.880 0.000 -6.873) 6.929 11.698 ( 1.214 0.000 -1.900) 2.255 11.737 ( -3.054 0.000 -1.333) 3.333 12.139 ( -1.044 0.000 5.337) 5.438 12.183 ( 4.506 0.000 2.738) 5.272 12.339 ( -1.165 0.000 4.626) 4.770 12.344 ( 0.838 0.000 -0.385) 0.922 12.475 ( 7.939 0.000 -5.686) 9.765 12.532 ( 0.160 0.000 3.906) 3.909 12.532 ( -3.669 0.000 5.419) 6.545 12.790 ( 0.708 0.000 -12.710) 12.730 12.948 ( -6.613 0.000 9.732) 11.766 13.114 ( -5.814 0.000 -2.712) 6.416 13.196 ( -3.666 0.000 4.529) 5.827 13.230 ( 4.366 0.000 -6.567) 7.886 13.400 ( 1.309 0.000 -4.679) 4.859 13.424 ( -4.987 0.000 -1.938) 5.350 13.676 ( -0.733 0.000 4.637) 4.694 13.708 ( 0.463 0.000 1.429) 1.502 13.729 ( 4.208 0.000 -4.208) 5.951 13.930 ( -7.454 0.000 -6.244) 9.724 14.016 ( 4.313 0.000 3.873) 5.797 14.267 ( -3.263 0.000 -6.117) 6.933 14.436 ( 7.663 0.000 8.172) 11.203 14.840 ( 11.661 0.000 -1.174) 11.720 14.843 ( -16.786 0.000 -3.239) 17.095 15.145 ( -9.770 0.000 -5.336) 11.133 15.276 ( 10.415 0.000 0.623) 10.433 15.408 ( -4.714 0.000 1.456) 4.934 16.048 ( -7.998 0.000 7.345) 10.859 16.094 ( 2.739 0.000 -3.588) 4.514 17.260 ( 21.221 0.000 6.640) 22.235 17.611 ( -8.080 0.000 3.509) 8.810 17.906 ( -1.736 0.000 8.941) 9.108 18.090 ( 3.156 0.000 -7.053) 7.727 20.587 ( 0.148 0.000 -1.657) 1.664 20.731 ( -4.165 0.000 -6.990) 8.137 21.128 ( -0.802 0.000 -1.118) 1.376 21.137 ( -1.358 0.000 -2.166) 2.557 21.301 ( 2.767 0.000 1.322) 3.067 21.354 ( -3.169 0.000 0.872) 3.287 21.697 ( 7.254 0.000 -0.693) 7.287 21.731 ( -1.284 0.000 2.777) 3.060 21.934 ( 1.364 0.000 0.381) 1.416 22.008 ( 0.937 0.000 -1.625) 1.875 22.155 ( -4.006 0.000 1.123) 4.161 22.323 ( -6.915 0.000 -4.887) 8.468 22.548 ( -1.907 0.000 4.506) 4.893 22.674 ( 1.563 0.000 -3.706) 4.022 22.848 ( 3.138 0.000 0.764) 3.230 23.037 ( -6.149 0.000 0.729) 6.192 23.116 ( 0.095 0.000 5.255) 5.256 23.368 ( -0.512 0.000 -7.277) 7.295 23.473 ( 0.851 0.000 4.707) 4.783 23.491 ( 2.827 0.000 10.102) 10.490 23.624 ( 2.985 0.000 2.945) 4.193 23.651 ( -2.513 0.000 2.667) 3.665 23.730 ( -0.734 0.000 -2.712) 2.810 23.881 ( 6.661 0.000 -10.621) 12.537 24.210 ( 0.495 0.000 6.105) 6.125 24.288 ( 1.743 0.000 -1.712) 2.443 24.298 ( 1.846 0.000 4.663) 5.015 24.503 ( 6.062 0.000 -6.700) 9.036 25.625 ( -2.168 0.000 -0.062) 2.169 25.652 ( -1.011 0.000 -1.128) 1.515 ======================= Grid point 73 (36/52) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -15.663 0.000 1.548) 15.740 0.999 ( -8.362 0.000 4.253) 9.381 1.142 ( -0.369 0.000 7.673) 7.682 1.531 ( 16.564 0.000 -8.278) 18.518 1.797 ( -9.580 0.000 -7.510) 12.173 1.883 ( 6.648 0.000 7.064) 9.700 2.052 ( -8.948 0.000 -8.105) 12.073 2.074 ( 6.291 0.000 9.531) 11.420 2.167 ( -6.739 0.000 13.424) 15.021 2.169 ( 0.430 0.000 -10.336) 10.345 2.299 ( -11.258 0.000 13.675) 17.713 2.377 ( -0.824 0.000 0.615) 1.028 2.446 ( 1.242 0.000 -4.435) 4.605 2.573 ( 3.472 0.000 1.954) 3.984 2.593 ( 2.276 0.000 -0.625) 2.360 2.813 ( 8.972 0.000 -3.113) 9.497 2.833 ( -5.023 0.000 4.463) 6.719 2.924 ( 0.708 0.000 -1.662) 1.806 3.018 ( 1.924 0.000 -0.428) 1.971 3.057 ( 2.106 0.000 -2.945) 3.620 3.147 ( -0.608 0.000 -3.786) 3.834 3.187 ( 2.669 0.000 -5.824) 6.406 3.461 ( -0.457 0.000 0.282) 0.537 3.534 ( 5.934 0.000 -1.249) 6.064 3.576 ( -7.212 0.000 5.288) 8.943 3.634 ( 2.054 0.000 5.658) 6.019 3.650 ( -7.066 0.000 2.696) 7.563 3.681 ( 1.294 0.000 1.751) 2.177 3.687 ( -1.572 0.000 -6.598) 6.783 3.801 ( 4.690 0.000 -3.511) 5.859 3.963 ( -7.989 0.000 2.116) 8.264 3.992 ( -3.875 0.000 6.672) 7.716 4.036 ( -0.665 0.000 3.324) 3.390 4.162 ( 2.935 0.000 -8.042) 8.561 4.262 ( -2.365 0.000 8.258) 8.590 4.367 ( 4.978 0.000 -0.210) 4.982 4.367 ( 4.784 0.000 4.018) 6.247 4.455 ( 3.413 0.000 -10.584) 11.120 4.731 ( -3.135 0.000 2.875) 4.254 4.775 ( -2.917 0.000 1.457) 3.260 4.844 ( 3.555 0.000 -0.482) 3.587 4.845 ( 3.266 0.000 -0.396) 3.290 5.023 ( -0.556 0.000 -0.990) 1.135 5.047 ( -0.967 0.000 -5.026) 5.119 5.162 ( -0.307 0.000 0.692) 0.757 5.190 ( -1.217 0.000 -4.994) 5.141 5.428 ( 5.539 0.000 11.623) 12.875 5.459 ( -3.739 0.000 -2.506) 4.501 5.467 ( -4.414 0.000 5.412) 6.983 5.520 ( 0.677 0.000 -3.106) 3.179 5.632 ( 2.321 0.000 0.034) 2.321 5.686 ( -1.905 0.000 -7.198) 7.446 5.709 ( -1.945 0.000 -4.887) 5.260 5.725 ( 4.760 0.000 4.043) 6.245 6.041 ( -2.204 0.000 3.308) 3.975 6.155 ( 3.520 0.000 -4.336) 5.585 6.336 ( -8.671 0.000 -5.697) 10.375 6.353 ( -0.449 0.000 6.519) 6.534 6.444 ( 9.127 0.000 5.304) 10.557 6.445 ( -0.411 0.000 -6.377) 6.390 6.561 ( -5.755 0.000 8.651) 10.390 6.737 ( -3.117 0.000 6.716) 7.404 6.740 ( -0.017 0.000 -8.314) 8.314 6.900 ( 3.750 0.000 -8.676) 9.452 6.956 ( -7.623 0.000 9.320) 12.040 7.205 ( 1.285 0.000 -9.465) 9.552 7.683 ( -1.782 0.000 6.493) 6.733 7.796 ( 2.220 0.000 -2.568) 3.395 7.839 ( -1.382 0.000 -1.540) 2.069 7.858 ( 2.221 0.000 -3.015) 3.745 7.956 ( 4.429 0.000 3.955) 5.938 7.971 ( -1.292 0.000 -3.847) 4.058 8.234 ( -4.206 0.000 1.546) 4.481 8.353 ( -2.103 0.000 -1.990) 2.896 8.396 ( 1.800 0.000 4.389) 4.744 8.435 ( 3.652 0.000 -3.733) 5.222 8.497 ( 1.851 0.000 1.069) 2.137 8.509 ( 2.299 0.000 -2.263) 3.226 8.549 ( 2.610 0.000 2.690) 3.748 8.580 ( 2.980 0.000 -3.785) 4.817 8.688 ( -4.974 0.000 7.022) 8.606 8.871 ( 2.915 0.000 -6.710) 7.316 9.110 ( -0.762 0.000 4.213) 4.281 9.119 ( -0.240 0.000 1.611) 1.629 9.277 ( 1.586 0.000 6.265) 6.463 9.301 ( -4.050 0.000 -5.387) 6.740 9.394 ( -3.477 0.000 1.080) 3.641 9.563 ( 7.046 0.000 -0.952) 7.110 9.739 ( -1.851 0.000 -2.683) 3.260 9.795 ( 3.287 0.000 1.776) 3.736 10.185 ( -5.679 0.000 3.628) 6.739 10.197 ( -0.593 0.000 4.008) 4.052 10.344 ( 3.707 0.000 -1.130) 3.876 10.370 ( -0.826 0.000 -6.903) 6.952 11.287 ( -4.988 0.000 5.799) 7.650 11.384 ( 0.507 0.000 -0.749) 0.904 11.557 ( 5.280 0.000 2.875) 6.012 11.601 ( 1.268 0.000 -8.321) 8.417 11.688 ( -0.996 0.000 -1.497) 1.798 11.730 ( 3.064 0.000 -0.770) 3.159 12.154 ( -1.612 0.000 4.786) 5.051 12.231 ( 0.683 0.000 -2.894) 2.974 12.334 ( -2.227 0.000 3.122) 3.835 12.397 ( 3.510 0.000 0.900) 3.624 12.428 ( -8.227 0.000 -1.738) 8.408 12.514 ( -1.380 0.000 6.364) 6.512 12.647 ( 5.652 0.000 -2.033) 6.006 12.670 ( -2.296 0.000 -10.390) 10.640 12.945 ( 0.492 0.000 10.416) 10.428 13.101 ( 4.549 0.000 -0.067) 4.549 13.171 ( -2.273 0.000 3.646) 4.296 13.264 ( 3.465 0.000 -5.617) 6.600 13.340 ( -2.890 0.000 0.392) 2.917 13.416 ( 3.217 0.000 -1.509) 3.554 13.671 ( -3.371 0.000 1.508) 3.693 13.748 ( 2.857 0.000 -0.945) 3.009 13.760 ( -3.973 0.000 -3.575) 5.345 13.814 ( 6.568 0.000 2.993) 7.218 14.118 ( -5.591 0.000 -5.468) 7.820 14.138 ( 3.185 0.000 5.780) 6.599 14.542 ( -11.481 0.000 -1.476) 11.575 14.712 ( 11.655 0.000 8.464) 14.404 14.875 ( -14.273 0.000 -5.006) 15.126 15.057 ( 8.477 0.000 3.264) 9.083 15.299 ( -6.121 0.000 -1.259) 6.249 15.433 ( 6.447 0.000 -0.856) 6.504 15.993 ( -3.747 0.000 6.345) 7.369 16.151 ( 5.875 0.000 -2.986) 6.590 17.373 ( -14.655 0.000 -4.122) 15.224 17.669 ( 17.723 0.000 -0.601) 17.733 17.926 ( -3.144 0.000 8.364) 8.935 18.085 ( 2.080 0.000 -7.823) 8.095 20.596 ( -4.267 0.000 -4.124) 5.934 20.646 ( 5.335 0.000 1.453) 5.529 21.116 ( 0.081 0.000 -0.033) 0.087 21.118 ( 0.239 0.000 -0.155) 0.284 21.306 ( -2.918 0.000 0.707) 3.002 21.358 ( 2.231 0.000 0.987) 2.440 21.675 ( -6.149 0.000 1.138) 6.253 21.787 ( 3.371 0.000 -1.999) 3.919 21.958 ( -2.844 0.000 -1.988) 3.470 21.975 ( 1.625 0.000 1.367) 2.123 22.202 ( -1.865 0.000 -3.431) 3.905 22.208 ( 5.705 0.000 5.866) 8.183 22.572 ( -0.259 0.000 5.869) 5.875 22.637 ( -0.507 0.000 -4.172) 4.202 22.902 ( -5.939 0.000 -3.277) 6.783 22.963 ( 5.582 0.000 3.362) 6.517 23.183 ( 0.265 0.000 9.278) 9.282 23.296 ( -1.035 0.000 -7.754) 7.822 23.511 ( 0.147 0.000 3.798) 3.800 23.558 ( 0.718 0.000 -0.489) 0.869 23.588 ( -7.019 0.000 6.991) 9.906 23.670 ( -0.542 0.000 2.346) 2.408 23.747 ( 3.133 0.000 -1.312) 3.397 23.909 ( 6.598 0.000 -15.629) 16.965 24.235 ( -1.665 0.000 4.098) 4.423 24.294 ( 0.559 0.000 -2.580) 2.640 24.345 ( -2.195 0.000 6.620) 6.974 24.483 ( -2.175 0.000 -12.342) 12.532 25.611 ( 0.247 0.000 2.658) 2.670 25.637 ( 0.490 0.000 -0.880) 1.007 ======================= Grid point 74 (37/52) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -6.156 0.000 13.629) 14.955 1.030 ( 2.205 0.000 29.325) 29.408 1.291 ( 3.809 0.000 3.617) 5.252 1.563 ( -4.752 0.000 -13.071) 13.908 1.742 ( -10.134 0.000 -3.774) 10.814 1.857 ( 17.582 0.000 3.233) 17.877 1.950 ( -23.772 0.000 34.759) 42.111 2.028 ( 2.603 0.000 -13.076) 13.332 2.202 ( 7.757 0.000 -3.720) 8.603 2.228 ( 2.297 0.000 9.286) 9.566 2.335 ( 1.582 0.000 1.119) 1.937 2.420 ( 1.843 0.000 -4.020) 4.423 2.445 ( 3.827 0.000 2.824) 4.756 2.638 ( 0.782 0.000 0.547) 0.954 2.697 ( 6.171 0.000 2.363) 6.608 2.818 ( -0.471 0.000 7.532) 7.547 2.869 ( -4.541 0.000 -2.178) 5.036 2.943 ( 1.733 0.000 3.411) 3.825 3.051 ( 2.686 0.000 -7.472) 7.940 3.061 ( 4.744 0.000 -2.970) 5.597 3.127 ( 0.504 0.000 -1.505) 1.587 3.161 ( -0.989 0.000 -8.478) 8.536 3.479 ( -6.865 0.000 3.108) 7.535 3.489 ( 2.614 0.000 0.869) 2.755 3.535 ( -0.206 0.000 -2.243) 2.252 3.613 ( 0.887 0.000 0.242) 0.919 3.655 ( -2.441 0.000 3.709) 4.440 3.693 ( 3.164 0.000 3.837) 4.973 3.712 ( 0.314 0.000 2.164) 2.187 3.818 ( -6.518 0.000 1.120) 6.613 3.846 ( 0.765 0.000 -4.416) 4.482 3.939 ( -4.503 0.000 1.305) 4.689 4.072 ( 1.018 0.000 3.335) 3.487 4.131 ( -0.018 0.000 -0.390) 0.390 4.288 ( 1.908 0.000 -2.142) 2.869 4.380 ( 2.550 0.000 -6.816) 7.277 4.481 ( 2.981 0.000 5.040) 5.856 4.520 ( -0.985 0.000 -4.307) 4.419 4.720 ( 5.465 0.000 4.310) 6.960 4.750 ( 1.942 0.000 -5.081) 5.440 4.894 ( 1.845 0.000 -0.165) 1.853 4.899 ( 0.167 0.000 1.885) 1.893 4.989 ( -3.011 0.000 -0.544) 3.060 5.043 ( 0.726 0.000 1.309) 1.497 5.092 ( -3.869 0.000 -4.217) 5.723 5.116 ( -4.707 0.000 0.577) 4.742 5.354 ( -5.526 0.000 1.538) 5.736 5.356 ( -1.902 0.000 -10.159) 10.336 5.494 ( -1.928 0.000 -0.015) 1.928 5.598 ( -1.970 0.000 -2.669) 3.317 5.637 ( -0.138 0.000 -4.888) 4.890 5.653 ( 2.323 0.000 -3.037) 3.824 5.698 ( 6.576 0.000 9.759) 11.768 5.849 ( 4.042 0.000 4.491) 6.042 6.047 ( -0.256 0.000 1.805) 1.823 6.069 ( -2.284 0.000 -4.780) 5.297 6.265 ( 0.872 0.000 -2.992) 3.117 6.284 ( -7.156 0.000 -0.213) 7.159 6.406 ( 1.634 0.000 -5.674) 5.904 6.513 ( -7.882 0.000 9.204) 12.118 6.608 ( 2.487 0.000 5.626) 6.151 6.707 ( 2.184 0.000 -4.001) 4.559 6.765 ( 0.525 0.000 9.726) 9.740 6.871 ( -7.028 0.000 6.294) 9.434 6.917 ( 4.602 0.000 -7.968) 9.201 7.132 ( -1.983 0.000 -6.958) 7.235 7.719 ( -1.037 0.000 8.625) 8.687 7.815 ( -3.132 0.000 0.774) 3.226 7.825 ( 0.881 0.000 -0.696) 1.123 7.854 ( 6.108 0.000 -2.597) 6.637 7.988 ( 2.603 0.000 -3.262) 4.173 8.043 ( 1.249 0.000 1.794) 2.186 8.200 ( -0.743 0.000 0.621) 0.968 8.298 ( -1.074 0.000 -0.281) 1.110 8.443 ( 0.572 0.000 -5.329) 5.360 8.455 ( 1.136 0.000 4.295) 4.443 8.526 ( 0.089 0.000 -0.252) 0.268 8.578 ( 3.665 0.000 0.950) 3.786 8.619 ( 4.509 0.000 -5.442) 7.067 8.651 ( -1.974 0.000 2.847) 3.464 8.684 ( 6.658 0.000 6.315) 9.177 8.903 ( 5.589 0.000 -4.622) 7.252 9.102 ( -3.742 0.000 5.725) 6.839 9.118 ( -1.061 0.000 -1.513) 1.848 9.192 ( -2.935 0.000 -3.537) 4.596 9.239 ( -1.954 0.000 -5.518) 5.854 9.497 ( 5.656 0.000 8.042) 9.832 9.612 ( -1.572 0.000 2.937) 3.331 9.800 ( 9.943 0.000 -3.623) 10.582 9.842 ( 0.207 0.000 3.181) 3.187 10.077 ( -9.242 0.000 4.125) 10.121 10.201 ( -1.388 0.000 -1.934) 2.380 10.287 ( -1.710 0.000 -3.905) 4.263 10.375 ( 1.703 0.000 -3.424) 3.824 11.254 ( -2.572 0.000 4.675) 5.336 11.354 ( -2.125 0.000 -1.713) 2.729 11.623 ( 6.593 0.000 -6.531) 9.280 11.658 ( 2.312 0.000 1.681) 2.858 11.678 ( 0.731 0.000 -0.434) 0.850 11.775 ( 1.168 0.000 -0.417) 1.241 12.120 ( -4.755 0.000 0.346) 4.767 12.194 ( -2.171 0.000 -2.952) 3.664 12.270 ( -4.466 0.000 3.297) 5.551 12.340 ( 0.322 0.000 1.833) 1.861 12.417 ( -0.344 0.000 -3.489) 3.506 12.550 ( -1.958 0.000 9.594) 9.792 12.619 ( 3.433 0.000 -5.618) 6.584 12.637 ( -2.892 0.000 -2.994) 4.163 13.056 ( -1.680 0.000 7.473) 7.660 13.216 ( 8.537 0.000 -8.563) 12.091 13.234 ( 6.991 0.000 6.662) 9.657 13.292 ( 3.242 0.000 -0.665) 3.310 13.337 ( 3.398 0.000 1.373) 3.665 13.484 ( 3.803 0.000 1.544) 4.105 13.598 ( -4.113 0.000 3.274) 5.257 13.726 ( -0.628 0.000 -1.570) 1.691 13.772 ( 1.769 0.000 -5.017) 5.320 13.937 ( -4.735 0.000 0.618) 4.776 14.013 ( -0.959 0.000 -4.135) 4.245 14.172 ( 2.218 0.000 4.679) 5.178 14.533 ( 8.656 0.000 2.743) 9.081 14.640 ( -2.941 0.000 2.228) 3.689 14.897 ( -2.817 0.000 9.671) 10.073 15.101 ( -3.545 0.000 2.267) 4.208 15.280 ( 5.309 0.000 -1.437) 5.500 15.501 ( 2.379 0.000 -2.905) 3.755 15.985 ( -2.137 0.000 6.049) 6.416 16.222 ( 1.766 0.000 -2.599) 3.142 17.138 ( -1.589 0.000 -8.588) 8.734 17.743 ( -9.689 0.000 -12.427) 15.758 17.915 ( -4.400 0.000 8.148) 9.260 18.056 ( 2.154 0.000 -7.806) 8.098 20.602 ( 6.438 0.000 3.841) 7.496 20.759 ( 4.400 0.000 1.457) 4.635 21.137 ( 1.493 0.000 1.909) 2.423 21.146 ( 3.011 0.000 0.813) 3.119 21.259 ( -2.338 0.000 0.101) 2.341 21.384 ( -1.826 0.000 1.790) 2.557 21.549 ( -5.369 0.000 -0.642) 5.408 21.773 ( -2.491 0.000 -4.953) 5.544 21.922 ( -0.047 0.000 -0.167) 0.174 21.979 ( -1.285 0.000 -0.710) 1.468 22.233 ( 5.082 0.000 2.345) 5.597 22.418 ( 10.890 0.000 5.914) 12.392 22.568 ( -4.821 0.000 1.638) 5.091 22.617 ( 0.929 0.000 -2.513) 2.679 22.839 ( 2.667 0.000 1.255) 2.948 23.064 ( 1.567 0.000 3.677) 3.997 23.233 ( 0.184 0.000 -6.526) 6.529 23.246 ( -0.917 0.000 8.623) 8.672 23.487 ( -4.230 0.000 -1.759) 4.581 23.507 ( -3.667 0.000 -3.048) 4.768 23.567 ( -0.218 0.000 0.733) 0.765 23.645 ( -2.295 0.000 -0.102) 2.298 23.792 ( 2.236 0.000 -1.044) 2.468 23.834 ( -5.569 0.000 -11.633) 12.898 24.217 ( -3.141 0.000 3.793) 4.925 24.278 ( -0.448 0.000 -2.592) 2.630 24.294 ( -4.111 0.000 -7.003) 8.121 24.311 ( -5.084 0.000 3.834) 6.368 25.654 ( 1.262 0.000 0.325) 1.303 25.664 ( 2.559 0.000 1.705) 3.075 ======================= Grid point 75 (38/52) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 1.982 27.385 12.927) 30.347 1.422 ( 3.405 17.371 14.129) 22.649 1.580 ( -6.179 20.340 2.484) 21.402 1.752 ( 3.152 15.622 -0.768) 15.956 1.771 ( 0.603 16.872 -3.461) 17.234 1.938 ( -1.862 5.939 -4.237) 7.530 2.027 ( -4.114 10.662 10.147) 15.283 2.217 ( 5.671 6.658 2.442) 9.080 2.325 ( 6.982 3.410 0.263) 7.775 2.342 ( -4.086 4.567 4.885) 7.837 2.451 ( -0.435 5.583 -0.557) 5.628 2.484 ( 3.412 2.690 0.192) 4.349 2.531 ( 1.511 5.982 5.244) 8.098 2.727 ( 1.487 0.103 5.927) 6.112 2.760 ( -2.669 4.731 -9.522) 10.963 2.830 ( 1.084 -4.428 0.336) 4.571 2.846 ( 1.216 -4.846 -0.874) 5.072 2.890 ( -2.853 1.042 -2.362) 3.848 2.990 ( 2.852 4.131 2.371) 5.552 3.055 ( -1.224 0.784 -3.513) 3.802 3.163 ( -4.927 1.363 -0.456) 5.132 3.240 ( 3.289 8.653 -6.469) 11.293 3.425 ( 4.380 -1.446 3.260) 5.648 3.512 ( -3.579 -0.316 -0.161) 3.597 3.532 ( -4.011 -4.051 -1.587) 5.918 3.564 ( 2.258 -1.793 1.157) 3.106 3.711 ( -0.183 -0.595 6.376) 6.406 3.731 ( 1.836 3.834 4.526) 6.209 3.797 ( -3.034 4.227 2.093) 5.608 3.872 ( -0.673 7.334 -3.515) 8.161 3.902 ( -2.060 7.392 -1.996) 7.929 3.960 ( 1.933 9.206 -2.875) 9.837 4.050 ( 0.423 -1.057 2.266) 2.536 4.106 ( 2.796 1.089 -5.176) 5.982 4.365 ( -2.892 3.861 0.502) 4.850 4.401 ( -1.523 -1.849 0.063) 2.396 4.469 ( 0.456 1.072 3.977) 4.144 4.539 ( 2.619 1.969 2.678) 4.232 4.705 ( 3.688 -2.890 -5.207) 7.005 4.751 ( -1.925 -5.155 -0.067) 5.503 4.852 ( -3.966 -2.837 -5.485) 7.339 4.861 ( -0.905 -5.456 -1.059) 5.631 4.915 ( -2.064 0.580 2.600) 3.370 4.994 ( 3.472 -1.276 -2.141) 4.274 5.065 ( -2.783 0.441 2.220) 3.587 5.149 ( 6.920 0.667 6.877) 9.779 5.228 ( -2.476 -1.154 -10.103) 10.466 5.325 ( -2.435 1.104 -3.772) 4.624 5.454 ( -1.926 -7.788 0.515) 8.039 5.464 ( -1.401 -10.471 0.485) 10.575 5.537 ( -0.122 4.162 2.373) 4.792 5.634 ( -0.167 0.806 -5.373) 5.436 5.766 ( 5.376 -0.254 4.423) 6.966 5.864 ( -2.600 -2.085 -3.101) 4.552 6.027 ( -4.219 -2.150 2.690) 5.446 6.116 ( 5.807 -2.312 -5.513) 8.334 6.196 ( -3.588 1.319 3.597) 5.249 6.279 ( -0.947 1.482 -3.573) 3.982 6.431 ( -5.220 2.513 2.002) 6.130 6.447 ( 6.203 -0.843 0.863) 6.320 6.714 ( 3.643 0.014 4.258) 5.604 6.797 ( 1.422 0.394 2.061) 2.535 6.822 ( -5.000 2.597 3.158) 6.459 6.863 ( 2.800 -0.260 1.687) 3.279 6.951 ( 3.454 1.136 -5.909) 6.938 7.014 ( -1.608 -1.360 -7.574) 7.862 7.734 ( -2.999 -0.146 7.932) 8.481 7.833 ( -1.055 1.665 1.907) 2.743 7.885 ( -0.447 0.424 0.408) 0.739 7.899 ( 2.537 -5.955 1.239) 6.590 7.932 ( 1.009 -2.201 -4.005) 4.680 7.987 ( 2.784 0.153 -4.445) 5.247 8.251 ( 0.917 -1.383 0.586) 1.760 8.305 ( 0.382 -7.385 -1.580) 7.562 8.310 ( 0.859 -2.016 2.979) 3.698 8.420 ( -2.351 -0.832 -4.551) 5.189 8.513 ( -1.055 0.367 3.686) 3.851 8.607 ( -0.056 -1.761 -2.552) 3.101 8.668 ( -1.226 2.758 0.624) 3.083 8.696 ( 1.850 2.045 -0.301) 2.774 8.876 ( 4.750 4.123 8.259) 10.381 8.969 ( -8.999 0.676 1.814) 9.205 9.063 ( 6.416 3.382 -0.333) 7.261 9.107 ( -0.869 1.343 0.869) 1.821 9.143 ( 1.766 -0.140 -4.766) 5.084 9.242 ( -0.852 3.482 -9.154) 9.831 9.561 ( -1.032 -3.677 9.054) 9.827 9.632 ( -1.923 1.363 2.081) 3.144 9.809 ( -0.273 -1.385 1.064) 1.767 9.872 ( -1.355 -3.101 -2.853) 4.426 10.065 ( 2.345 5.877 4.733) 7.902 10.186 ( 0.047 0.933 -7.642) 7.699 10.292 ( -2.823 1.672 3.126) 4.532 10.411 ( 3.296 6.462 -7.710) 10.586 11.297 ( -0.748 1.959 3.471) 4.055 11.341 ( 1.071 2.169 -0.241) 2.431 11.597 ( -6.527 -1.546 1.650) 6.908 11.672 ( 4.290 -1.596 -4.995) 6.775 11.744 ( 1.405 1.976 1.478) 2.839 11.785 ( 1.200 1.841 -2.471) 3.307 12.055 ( 0.572 -1.960 4.296) 4.756 12.134 ( -2.898 0.734 -2.917) 4.177 12.258 ( -1.744 -1.433 3.926) 4.529 12.337 ( 2.490 -3.392 -1.731) 4.550 12.382 ( -1.151 -0.378 5.460) 5.593 12.515 ( -0.405 -1.178 -5.650) 5.786 12.568 ( -1.891 0.687 6.031) 6.358 12.720 ( 4.894 1.976 -7.286) 8.997 12.948 ( -5.265 -6.631 4.838) 9.752 13.056 ( 2.487 -9.777 -5.442) 11.463 13.212 ( 0.636 -6.550 8.081) 10.422 13.357 ( 0.716 -4.841 -5.640) 7.467 13.504 ( 1.919 -2.538 2.927) 4.324 13.577 ( -3.841 -3.137 -1.606) 5.213 13.606 ( 4.877 1.577 4.291) 6.684 13.758 ( -1.299 2.642 -7.466) 8.026 13.787 ( -6.328 3.782 3.801) 8.294 13.827 ( 6.504 8.067 0.444) 10.372 14.061 ( 7.779 3.542 0.648) 8.572 14.128 ( -10.804 2.558 -6.283) 12.757 14.734 ( 6.522 -4.589 4.832) 9.325 14.762 ( -4.365 -1.718 1.674) 4.980 14.870 ( 15.768 -6.467 2.059) 17.167 14.927 ( -10.982 -5.561 -3.017) 12.674 15.334 ( 5.294 -0.990 5.834) 7.940 15.480 ( -3.515 2.764 -7.553) 8.778 16.069 ( 0.865 2.368 7.694) 8.096 16.223 ( -0.549 3.518 -7.094) 7.937 17.068 ( -11.103 -8.518 11.037) 17.823 17.276 ( 1.321 -2.290 -8.708) 9.100 17.921 ( -4.496 1.958 6.323) 8.002 18.078 ( 3.647 1.709 -7.586) 8.589 20.735 ( 3.457 -3.674 1.802) 5.357 20.762 ( 0.087 -3.027 -0.921) 3.165 21.136 ( 1.697 -2.054 2.147) 3.422 21.180 ( -1.522 -1.094 -1.901) 2.670 21.328 ( 0.203 3.860 1.715) 4.229 21.357 ( 1.531 5.172 -0.901) 5.469 21.542 ( 1.624 -0.434 4.399) 4.709 21.658 ( -3.176 0.669 -6.525) 7.288 21.907 ( -0.213 -0.688 3.283) 3.361 21.990 ( 0.381 1.667 -4.522) 4.835 22.381 ( 4.687 0.135 5.064) 6.901 22.457 ( -4.908 1.550 1.865) 5.475 22.502 ( 3.305 -5.587 -0.393) 6.503 22.632 ( -4.686 -2.296 -7.653) 9.263 22.969 ( 0.565 -4.071 3.630) 5.483 23.021 ( 5.366 -0.295 -1.195) 5.505 23.221 ( -2.326 3.556 3.811) 5.708 23.309 ( -0.328 2.317 -3.343) 4.081 23.387 ( -1.824 5.149 2.861) 6.166 23.462 ( -0.668 2.836 -2.945) 4.142 23.563 ( -2.665 -2.264 1.909) 3.984 23.594 ( 0.903 0.742 -0.890) 1.469 23.787 ( -0.464 3.352 -0.626) 3.441 23.796 ( 1.744 -1.259 -1.539) 2.645 24.202 ( -1.367 1.193 2.725) 3.274 24.248 ( -0.036 -0.431 -1.718) 1.771 24.302 ( -1.124 5.629 3.419) 6.682 24.393 ( 1.188 8.623 -4.887) 9.982 25.659 ( 0.144 -1.686 0.539) 1.776 25.664 ( 0.336 -2.225 0.189) 2.259 ======================= Grid point 76 (39/52) ======================= q-point: ( 0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -2.575 32.118 -6.859) 32.943 1.444 ( 5.303 17.110 9.862) 20.448 1.619 ( -8.567 13.457 1.949) 16.071 1.698 ( 2.390 13.096 13.456) 18.928 1.737 ( -2.573 9.037 -16.928) 19.360 1.907 ( 8.331 12.942 -2.653) 15.618 2.063 ( -16.661 6.099 -2.107) 17.867 2.170 ( 3.402 9.609 6.271) 11.968 2.304 ( 2.509 6.103 0.239) 6.603 2.403 ( -0.599 2.095 -4.414) 4.922 2.466 ( 0.226 7.078 1.392) 7.217 2.495 ( -3.215 3.284 -0.717) 4.651 2.639 ( 0.604 0.802 -6.446) 6.524 2.687 ( -1.918 4.047 2.193) 4.986 2.768 ( 3.908 0.598 -3.292) 5.145 2.796 ( 2.130 0.578 1.196) 2.510 2.854 ( 0.897 -1.280 3.006) 3.388 2.894 ( 1.510 0.238 -1.206) 1.946 2.967 ( -2.240 2.659 -5.171) 6.231 3.081 ( -0.331 8.662 6.876) 11.065 3.110 ( 0.850 -2.042 -3.051) 3.768 3.276 ( 2.914 7.082 -2.276) 7.989 3.417 ( -1.491 -0.856 -0.444) 1.776 3.487 ( -2.820 -0.111 3.137) 4.219 3.538 ( -0.266 2.246 0.961) 2.457 3.613 ( 2.302 -2.390 -1.641) 3.702 3.641 ( -3.983 -0.748 -0.546) 4.089 3.763 ( -0.013 0.918 4.409) 4.504 3.800 ( -3.756 2.416 5.325) 6.949 3.844 ( 3.106 0.735 -1.088) 3.372 3.896 ( 4.710 6.266 -0.914) 7.891 3.950 ( -4.109 8.722 -1.487) 9.755 4.074 ( 2.413 3.761 2.166) 4.966 4.153 ( 3.710 1.117 -6.748) 7.781 4.278 ( -7.620 -0.098 3.153) 8.248 4.345 ( -2.904 3.322 3.757) 5.795 4.500 ( 2.855 3.319 -1.231) 4.548 4.600 ( -2.843 -2.037 0.422) 3.523 4.669 ( 0.832 -4.005 -9.414) 10.264 4.715 ( -4.464 0.100 3.047) 5.406 4.810 ( 3.088 -0.752 2.355) 3.956 4.842 ( -3.498 -0.763 5.130) 6.256 4.938 ( 2.140 -4.766 -1.852) 5.543 5.043 ( 2.699 -2.501 -1.932) 4.156 5.090 ( 4.443 -6.021 5.529) 9.304 5.180 ( 2.835 1.786 -1.964) 3.884 5.222 ( -0.926 -1.279 -7.185) 7.357 5.344 ( 2.867 1.042 0.953) 3.196 5.420 ( -3.081 -7.612 4.551) 9.388 5.457 ( 3.118 -5.753 3.967) 7.652 5.566 ( 1.068 3.847 2.256) 4.586 5.613 ( 0.948 -1.199 -3.502) 3.821 5.738 ( -5.405 -1.799 -6.252) 8.458 5.883 ( 3.778 1.093 3.232) 5.091 6.010 ( -0.881 -1.612 2.400) 3.023 6.137 ( -0.006 -0.993 -3.337) 3.482 6.176 ( -3.177 0.168 5.435) 6.298 6.272 ( 1.200 -0.979 1.903) 2.454 6.382 ( 1.963 2.395 -2.448) 3.948 6.547 ( 1.156 -1.255 1.451) 2.240 6.730 ( -2.654 -2.197 3.111) 4.643 6.769 ( -5.423 0.497 -1.353) 5.612 6.797 ( 3.396 0.376 -3.787) 5.101 6.889 ( -0.902 0.133 -5.882) 5.952 7.000 ( 5.395 -0.400 3.494) 6.440 7.061 ( 9.288 1.855 -5.196) 10.803 7.721 ( -3.602 -0.493 5.646) 6.715 7.785 ( -4.267 -1.904 1.857) 5.028 7.849 ( -1.075 -0.625 -3.509) 3.723 7.904 ( -1.681 0.225 2.208) 2.784 7.948 ( -0.765 0.197 -4.707) 4.773 8.018 ( 5.503 -4.965 -4.467) 8.654 8.256 ( -1.935 -2.339 -0.967) 3.186 8.292 ( 0.459 -6.916 0.116) 6.932 8.352 ( 0.732 -1.339 -0.446) 1.590 8.363 ( -0.999 -3.569 0.539) 3.745 8.502 ( -3.313 -1.833 2.190) 4.374 8.554 ( -1.876 0.905 0.597) 2.167 8.655 ( -0.095 3.996 -2.683) 4.814 8.711 ( -0.657 4.558 -1.049) 4.723 8.818 ( -8.364 1.518 4.008) 9.398 8.991 ( 1.453 6.292 4.394) 7.810 9.037 ( -1.945 6.722 -4.201) 8.162 9.111 ( -1.584 0.074 3.066) 3.452 9.185 ( 5.112 -2.139 -4.540) 7.164 9.262 ( 6.685 1.953 -2.494) 7.398 9.584 ( -4.005 -0.994 2.242) 4.697 9.607 ( -2.248 -0.260 6.187) 6.587 9.719 ( -2.965 1.982 -3.676) 5.122 9.940 ( 3.745 -4.286 3.679) 6.777 10.033 ( -3.317 7.084 -3.715) 8.659 10.213 ( 2.911 -3.851 -2.286) 5.341 10.282 ( -0.486 5.006 5.142) 7.192 10.420 ( 3.307 4.479 -5.847) 8.073 11.315 ( 0.350 1.137 2.234) 2.531 11.381 ( 2.090 1.587 1.508) 3.026 11.488 ( -5.279 1.316 1.189) 5.569 11.680 ( 0.109 -1.688 -3.268) 3.679 11.750 ( -0.609 2.333 -1.854) 3.042 11.793 ( 0.145 0.858 -1.932) 2.119 12.080 ( -0.210 -1.270 -0.472) 1.371 12.091 ( -0.661 -2.130 4.851) 5.339 12.256 ( 0.675 -3.079 2.512) 4.030 12.372 ( 0.808 1.178 -0.444) 1.496 12.403 ( 0.367 -3.750 0.861) 3.865 12.477 ( 0.138 0.650 -0.847) 1.076 12.585 ( -1.247 2.967 5.009) 5.954 12.758 ( 4.536 -2.928 -9.790) 11.179 12.879 ( -6.032 -7.991 6.028) 11.686 13.055 ( 1.238 -6.337 -0.753) 6.501 13.274 ( 0.015 -5.541 6.162) 8.287 13.298 ( -1.865 -4.218 -7.465) 8.775 13.474 ( -5.115 3.237 -2.130) 6.417 13.537 ( -7.557 2.058 -3.515) 8.584 13.577 ( 1.608 -2.935 3.374) 4.752 13.711 ( -0.969 0.257 1.492) 1.798 13.753 ( 2.228 1.678 -0.799) 2.901 13.917 ( -3.689 -2.361 -5.345) 6.910 14.044 ( 8.712 8.401 2.996) 12.468 14.272 ( 8.705 6.822 2.571) 11.355 14.541 ( -12.103 -1.039 -0.097) 12.148 14.621 ( -7.558 -10.980 -3.866) 13.879 14.978 ( 2.830 -6.387 -2.591) 7.451 15.061 ( 4.684 -5.005 3.323) 7.618 15.308 ( -3.387 1.696 -6.399) 7.436 15.536 ( 6.170 7.771 0.534) 9.937 16.006 ( -4.210 -2.200 1.533) 4.991 16.316 ( 2.443 7.414 -0.666) 7.835 16.894 ( -1.742 -2.200 10.298) 10.674 17.446 ( 8.372 -9.331 1.767) 12.660 17.899 ( -3.548 1.363 8.558) 9.364 18.094 ( 3.742 1.543 -7.189) 8.250 20.657 ( -5.581 -1.421 -2.397) 6.238 20.767 ( -1.729 -4.620 -2.564) 5.560 21.133 ( 0.025 -0.133 -1.033) 1.042 21.209 ( 1.168 0.160 0.572) 1.310 21.280 ( -0.232 3.438 -0.651) 3.506 21.443 ( -1.704 2.267 -2.997) 4.126 21.563 ( 6.859 1.628 0.953) 7.114 21.687 ( 4.202 0.384 2.069) 4.699 21.932 ( 0.227 0.761 2.194) 2.333 21.977 ( 1.676 0.033 -2.790) 3.255 22.299 ( -8.108 1.218 -1.953) 8.428 22.418 ( -6.007 -4.504 -1.499) 7.656 22.564 ( 2.442 -3.603 0.377) 4.369 22.597 ( 2.840 1.060 5.400) 6.193 22.859 ( -5.101 -1.543 -1.833) 5.635 23.139 ( 2.175 -0.095 -4.454) 4.957 23.205 ( -2.760 7.123 1.503) 7.785 23.290 ( -0.230 0.090 4.962) 4.969 23.402 ( 3.076 0.157 0.978) 3.231 23.461 ( 0.873 3.044 0.858) 3.281 23.564 ( 0.315 0.186 2.787) 2.811 23.625 ( 2.393 -1.262 -0.282) 2.720 23.778 ( -1.573 -0.891 -2.333) 2.951 23.794 ( 1.012 -1.163 -2.845) 3.236 24.214 ( 0.182 1.444 2.588) 2.969 24.257 ( 1.932 -0.432 -1.156) 2.293 24.315 ( 1.383 8.827 3.027) 9.433 24.456 ( 6.398 4.809 -2.115) 8.279 25.644 ( -1.544 -1.930 -0.180) 2.478 25.663 ( -0.540 -1.334 -0.401) 1.494 ======================= Grid point 77 (40/52) ======================= q-point: (-0.60 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 0.648 27.032 -6.723) 27.863 1.354 ( -12.084 17.935 -4.369) 22.063 1.514 ( -2.411 7.434 -8.235) 11.353 1.602 ( -9.082 12.818 -6.647) 17.058 1.830 ( 4.358 12.164 8.453) 15.441 1.923 ( 6.459 10.296 12.352) 17.329 2.078 ( 9.042 9.296 1.324) 13.035 2.174 ( -6.586 10.726 -1.262) 12.649 2.293 ( -0.465 5.120 -7.907) 9.432 2.377 ( -7.329 4.796 -2.238) 9.040 2.389 ( 4.015 2.645 -2.633) 5.482 2.491 ( -1.138 5.962 0.409) 6.083 2.542 ( -6.474 -0.814 -0.370) 6.535 2.650 ( 2.276 4.359 -2.777) 5.647 2.651 ( -9.014 2.506 0.075) 9.356 2.819 ( -3.888 5.457 -3.464) 7.543 2.904 ( 1.106 1.830 -1.247) 2.475 2.941 ( 1.727 1.670 -0.988) 2.597 3.006 ( 7.770 4.645 0.142) 9.054 3.044 ( -1.791 2.304 -0.252) 2.929 3.168 ( 1.453 0.993 1.315) 2.197 3.255 ( -2.506 7.042 -1.684) 7.662 3.448 ( 2.303 2.715 8.509) 9.224 3.484 ( 2.083 -3.215 2.230) 4.433 3.543 ( 1.177 -2.484 -2.587) 3.774 3.593 ( -1.628 -0.778 -2.683) 3.234 3.635 ( -0.282 -0.995 0.810) 1.314 3.744 ( -3.502 5.198 3.758) 7.308 3.766 ( -3.086 3.759 -3.806) 6.176 3.862 ( 1.266 3.950 -5.675) 7.030 3.900 ( 1.510 -2.639 8.868) 9.375 4.073 ( 2.296 0.652 3.964) 4.628 4.096 ( 3.328 7.638 3.669) 9.103 4.150 ( 0.659 4.296 -3.056) 5.313 4.254 ( 0.088 0.334 5.473) 5.484 4.310 ( -0.545 3.416 -1.347) 3.712 4.455 ( -7.548 2.738 -2.852) 8.520 4.483 ( -1.861 -3.060 -7.538) 8.346 4.679 ( 3.458 -2.773 -2.096) 4.903 4.726 ( 1.496 -0.848 5.095) 5.377 4.781 ( -2.876 -1.912 2.574) 4.307 4.873 ( 0.705 -0.537 0.004) 0.886 5.004 ( 0.097 -4.127 0.117) 4.129 5.073 ( 4.701 -3.467 3.284) 6.700 5.165 ( -1.429 2.222 -7.463) 7.917 5.213 ( 1.065 -0.962 5.626) 5.806 5.221 ( 2.492 -1.173 -1.409) 3.094 5.346 ( -0.134 -5.346 3.388) 6.331 5.420 ( -0.348 -6.786 4.862) 8.355 5.541 ( 1.796 -4.810 -6.766) 8.493 5.598 ( -1.152 -0.042 0.679) 1.338 5.640 ( -0.058 2.171 -5.008) 5.459 5.668 ( 8.969 3.473 3.685) 10.300 5.907 ( -4.712 2.222 0.135) 5.211 6.018 ( 0.284 -2.649 1.971) 3.314 6.092 ( -1.815 -2.474 -2.165) 3.755 6.215 ( 4.158 0.657 8.662) 9.631 6.325 ( 2.347 0.203 5.040) 5.563 6.445 ( 3.758 -0.167 -1.746) 4.147 6.509 ( -5.587 -0.691 -0.785) 5.684 6.643 ( -5.685 -0.715 0.082) 5.730 6.724 ( -1.912 -2.157 4.598) 5.427 6.795 ( -0.679 -0.126 -10.918) 10.939 6.831 ( 2.122 -1.120 -4.196) 4.833 7.102 ( 1.868 3.344 3.711) 5.333 7.199 ( 7.709 1.232 -5.431) 9.510 7.683 ( -3.334 -0.596 3.391) 4.792 7.762 ( -0.238 -1.505 2.750) 3.144 7.791 ( -1.452 -2.708 -3.789) 4.878 7.883 ( -1.897 -1.594 -2.819) 3.753 7.891 ( -0.014 1.006 -0.261) 1.039 8.047 ( -0.000 -3.530 -6.224) 7.156 8.220 ( 0.783 -4.160 0.918) 4.331 8.281 ( -2.425 -4.377 1.320) 5.175 8.345 ( -1.726 -6.913 0.950) 7.188 8.391 ( 3.609 -3.783 -2.432) 5.766 8.437 ( -2.786 -2.937 2.445) 4.730 8.564 ( 1.036 5.501 -2.411) 6.095 8.631 ( -1.766 6.783 -0.036) 7.009 8.641 ( -3.471 6.770 1.767) 7.810 8.752 ( -3.598 0.383 4.176) 5.525 8.939 ( 1.600 4.687 -10.967) 12.033 9.067 ( -1.633 1.539 7.267) 7.606 9.134 ( 0.916 2.446 3.075) 4.035 9.238 ( 2.360 3.000 1.417) 4.072 9.365 ( 5.228 1.130 -2.711) 5.997 9.501 ( -6.200 -0.996 1.775) 6.525 9.525 ( -3.409 1.759 -2.744) 4.716 9.768 ( 6.281 5.179 0.377) 8.150 9.911 ( -4.640 6.532 -1.917) 8.238 10.053 ( 2.028 -5.068 4.106) 6.831 10.201 ( 0.018 -5.520 -4.170) 6.918 10.337 ( 0.808 6.276 5.124) 8.142 10.444 ( 2.591 2.958 -4.272) 5.806 11.315 ( -4.037 -0.103 6.601) 7.738 11.434 ( -0.706 2.257 3.083) 3.886 11.446 ( 4.122 1.453 -3.707) 5.731 11.636 ( -0.980 -2.301 -5.864) 6.375 11.721 ( 0.019 1.629 -2.088) 2.648 11.750 ( -2.133 1.457 -1.840) 3.172 12.102 ( -2.142 -3.507 6.041) 7.306 12.128 ( 4.057 -4.325 0.337) 5.940 12.325 ( 3.131 -1.843 2.871) 4.631 12.353 ( -1.448 0.272 -0.009) 1.473 12.428 ( 2.234 -3.899 -0.854) 4.574 12.517 ( 3.846 0.650 1.732) 4.268 12.541 ( -7.159 -0.869 2.432) 7.611 12.716 ( -0.906 -4.389 -9.399) 10.412 12.851 ( -2.012 -5.018 7.996) 9.652 13.112 ( 4.309 -4.594 -1.367) 6.445 13.170 ( -4.832 2.615 -2.762) 6.150 13.331 ( 1.079 1.934 2.004) 2.986 13.344 ( -4.063 1.060 -3.693) 5.592 13.437 ( -2.566 -1.599 -2.070) 3.664 13.590 ( -1.418 -4.613 2.547) 5.457 13.726 ( 1.023 -0.442 -2.675) 2.898 13.770 ( 1.443 1.289 1.396) 2.386 13.882 ( 0.213 -3.248 -1.476) 3.574 14.107 ( -2.295 6.989 0.186) 7.359 14.273 ( -4.262 -0.368 -5.162) 6.704 14.472 ( 4.852 2.063 6.799) 8.604 14.712 ( 9.635 -5.717 3.578) 11.761 14.818 ( -8.734 -3.795 -3.342) 10.092 15.086 ( -7.805 -4.846 -4.999) 10.460 15.325 ( 9.679 4.140 0.176) 10.528 15.529 ( -5.838 8.775 -1.900) 10.710 16.045 ( 5.729 1.352 2.823) 6.528 16.216 ( -8.950 8.400 1.047) 12.319 17.162 ( 17.671 -8.414 5.985) 20.466 17.477 ( -6.424 -11.552 0.862) 13.246 17.917 ( -2.017 1.026 9.272) 9.544 18.105 ( 3.128 1.347 -7.250) 8.010 20.580 ( -0.183 -0.671 -1.586) 1.732 20.678 ( -4.385 -4.016 -4.337) 7.360 21.140 ( 1.324 2.099 -0.775) 2.600 21.183 ( -2.375 2.462 -1.064) 3.583 21.319 ( 3.001 1.467 0.004) 3.341 21.370 ( -2.866 1.775 -0.734) 3.450 21.719 ( 6.166 1.837 0.778) 6.480 21.746 ( 0.641 1.269 1.816) 2.306 21.946 ( 1.028 0.821 -0.053) 1.316 22.007 ( 1.361 -0.121 -1.042) 1.718 22.153 ( -4.602 -0.072 0.247) 4.610 22.282 ( -5.959 -2.823 -3.240) 7.347 22.590 ( -1.272 1.507 3.579) 4.086 22.654 ( 1.155 -0.597 -0.126) 1.306 22.847 ( 2.946 -0.204 2.233) 3.702 23.074 ( -4.709 1.954 -6.818) 8.513 23.166 ( -0.060 5.184 6.175) 8.063 23.389 ( -0.893 1.639 -5.937) 6.223 23.399 ( 2.939 -4.443 8.461) 9.999 23.532 ( 1.157 1.494 6.774) 7.032 23.598 ( 1.453 -1.914 0.947) 2.583 23.649 ( -1.399 -0.818 0.827) 1.819 23.702 ( -1.243 -1.763 -3.930) 4.483 23.795 ( 2.978 -6.132 -8.004) 10.513 24.238 ( 0.245 0.853 2.342) 2.505 24.283 ( 1.423 -0.415 -1.294) 1.968 24.396 ( 2.442 8.978 5.687) 10.904 24.548 ( 4.995 4.371 -3.777) 7.637 25.612 ( -1.702 -0.999 0.472) 2.029 25.642 ( -0.772 -0.865 -1.182) 1.655 ======================= Grid point 78 (41/52) ======================= q-point: (-0.40 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -13.140 15.580 8.975) 22.270 1.309 ( -10.344 23.630 3.014) 25.970 1.401 ( 8.494 20.329 -0.136) 22.032 1.625 ( 12.296 10.027 -6.079) 16.991 1.980 ( -7.679 14.185 -3.790) 16.569 2.064 ( 8.798 9.079 5.465) 13.773 2.107 ( 0.369 7.404 6.997) 10.194 2.149 ( -1.986 6.337 -5.713) 8.761 2.185 ( -2.694 4.471 -5.507) 7.588 2.281 ( -10.320 10.657 11.204) 18.591 2.362 ( -2.864 5.011 5.327) 7.855 2.413 ( -4.938 2.806 -4.049) 6.975 2.484 ( 4.439 3.301 1.357) 5.696 2.606 ( 1.251 2.227 -2.139) 3.332 2.668 ( 2.356 7.759 3.274) 8.745 2.800 ( 3.234 0.008 -1.049) 3.400 2.868 ( -4.196 2.511 1.067) 5.005 2.960 ( 0.660 3.114 -1.619) 3.571 3.016 ( -1.154 -0.267 -1.326) 1.778 3.101 ( 3.335 2.791 -3.215) 5.408 3.160 ( -1.193 2.280 0.824) 2.702 3.265 ( 5.306 4.161 -3.300) 7.507 3.484 ( -1.816 -2.145 2.647) 3.861 3.497 ( -4.331 -2.271 2.072) 5.311 3.539 ( -1.203 -6.498 0.540) 6.630 3.594 ( 1.605 4.235 0.829) 4.604 3.674 ( 3.706 5.443 0.945) 6.652 3.687 ( -0.851 0.910 -4.594) 4.760 3.745 ( -0.293 6.834 5.069) 8.514 3.855 ( 2.817 4.148 -4.759) 6.913 3.973 ( -4.613 -0.866 7.045) 8.465 4.034 ( -3.652 3.600 2.777) 5.832 4.113 ( 2.131 3.690 -0.060) 4.262 4.176 ( -2.180 0.403 -3.158) 3.858 4.254 ( -6.702 3.897 -2.470) 8.136 4.348 ( 5.239 -0.142 6.504) 8.352 4.405 ( 4.369 1.721 -1.812) 5.033 4.446 ( 5.788 0.386 -5.452) 7.961 4.699 ( -4.959 -4.306 -3.452) 7.419 4.751 ( 3.368 -2.671 3.677) 5.656 4.801 ( 1.901 -0.716 3.419) 3.977 4.868 ( 0.163 -1.828 -2.897) 3.429 5.011 ( -2.920 -0.662 0.571) 3.048 5.078 ( 1.294 1.890 -0.579) 2.363 5.170 ( -0.171 0.723 -1.310) 1.506 5.188 ( -1.941 -2.007 -4.960) 5.692 5.274 ( 0.996 -6.974 9.476) 11.808 5.351 ( -0.922 -8.346 0.344) 8.404 5.461 ( 1.324 0.263 -1.512) 2.027 5.534 ( 0.342 1.488 -4.521) 4.772 5.547 ( -0.685 -4.430 -0.912) 4.575 5.655 ( 3.353 1.150 -3.557) 5.021 5.760 ( -7.623 0.578 -3.813) 8.543 5.861 ( 7.167 5.867 4.196) 10.168 5.994 ( -2.831 -3.160 3.444) 5.464 6.111 ( 3.938 -3.471 -3.109) 6.101 6.315 ( -6.986 -0.632 -1.612) 7.197 6.381 ( -1.294 0.280 5.861) 6.009 6.431 ( 2.955 0.285 -1.416) 3.289 6.471 ( 3.585 -0.467 2.379) 4.328 6.565 ( -6.250 0.069 7.108) 9.465 6.689 ( -2.809 -1.864 -4.868) 5.922 6.733 ( 0.419 -0.330 2.959) 3.007 6.867 ( 5.445 -0.763 -7.034) 8.928 7.101 ( -4.855 5.971 2.670) 8.146 7.222 ( -0.435 1.195 -5.828) 5.965 7.672 ( -1.289 -0.242 5.599) 5.751 7.755 ( 1.101 -2.075 -2.181) 3.206 7.805 ( 1.125 -2.892 1.218) 3.334 7.854 ( 3.043 -0.958 -4.647) 5.637 7.936 ( 2.366 -2.412 3.447) 4.826 7.967 ( -1.837 -0.719 -4.588) 4.994 8.235 ( -1.949 -2.541 -1.132) 3.396 8.281 ( 2.761 -5.726 1.458) 6.522 8.321 ( -1.405 -5.239 1.490) 5.625 8.413 ( 2.700 -7.212 -2.410) 8.069 8.464 ( 0.126 1.356 3.276) 3.548 8.540 ( 0.956 3.949 -1.755) 4.426 8.616 ( 0.432 3.340 1.110) 3.546 8.651 ( 1.276 6.249 0.932) 6.445 8.721 ( -3.221 2.927 5.323) 6.875 8.918 ( 4.001 3.526 -9.110) 10.556 9.085 ( -1.357 0.004 5.490) 5.655 9.144 ( -0.878 1.471 -0.256) 1.732 9.289 ( -1.549 1.257 5.334) 5.695 9.346 ( -3.111 3.883 -4.838) 6.940 9.416 ( -0.825 2.001 2.759) 3.507 9.562 ( 5.678 0.263 -1.231) 5.816 9.808 ( -2.507 5.618 -2.876) 6.791 9.896 ( 5.809 6.949 -1.269) 9.146 10.071 ( -4.168 -4.512 4.350) 7.526 10.189 ( 2.604 -5.543 -4.207) 7.429 10.368 ( -0.899 4.998 2.820) 5.809 10.437 ( 0.384 3.573 -4.546) 5.795 11.292 ( -3.964 0.483 8.468) 9.362 11.409 ( -1.669 2.609 -2.103) 3.743 11.535 ( 4.810 -1.723 0.498) 5.133 11.599 ( 3.679 -0.328 -7.327) 8.206 11.698 ( -1.301 1.079 -0.171) 1.699 11.747 ( 2.490 1.390 -1.261) 3.118 12.089 ( -3.630 -5.803 4.332) 8.101 12.195 ( 3.002 -3.693 -1.960) 5.147 12.330 ( -2.267 0.122 2.878) 3.666 12.372 ( -8.027 -4.298 0.351) 9.112 12.376 ( 0.608 -1.881 -0.709) 2.100 12.483 ( -0.022 -1.812 6.788) 7.026 12.622 ( -0.960 -1.490 -5.244) 5.536 12.649 ( 7.820 -1.330 -4.195) 8.973 12.891 ( -1.636 -3.640 10.539) 11.270 13.067 ( 1.053 -1.980 -7.568) 7.894 13.181 ( -3.323 -2.137 1.977) 4.418 13.281 ( 4.370 5.633 -0.564) 7.151 13.374 ( -0.189 0.418 -0.239) 0.517 13.416 ( 2.950 -0.586 -0.844) 3.124 13.614 ( 0.577 -3.923 6.761) 7.839 13.684 ( -1.314 -4.276 -4.878) 6.619 13.815 ( -1.085 1.840 -1.025) 2.370 13.854 ( 1.517 1.246 -0.433) 2.010 14.149 ( 1.646 1.298 3.353) 3.954 14.166 ( 0.609 3.611 -1.879) 4.116 14.553 ( -9.760 0.866 -0.409) 9.807 14.695 ( 9.061 -1.145 6.681) 11.316 14.826 ( -13.446 -2.955 -6.312) 15.145 14.995 ( 10.906 -5.215 3.324) 12.537 15.355 ( -10.075 5.560 -2.723) 11.826 15.507 ( 8.091 4.723 0.610) 9.388 16.044 ( -7.890 4.793 2.630) 9.599 16.225 ( 8.635 5.876 0.337) 10.450 17.252 ( -13.365 -10.921 -2.702) 17.470 17.502 ( 12.049 -13.063 0.158) 17.772 17.943 ( -1.810 1.115 7.682) 7.970 18.099 ( 2.074 1.301 -7.802) 8.177 20.574 ( -3.096 -1.653 -1.950) 4.015 20.625 ( 4.551 -1.828 0.898) 4.986 21.134 ( -2.044 2.024 -0.295) 2.892 21.170 ( 2.153 3.448 0.098) 4.067 21.311 ( -3.113 0.741 0.611) 3.257 21.375 ( 2.550 1.420 -0.708) 3.003 21.694 ( -6.440 1.911 2.069) 7.029 21.807 ( 2.293 1.282 -2.563) 3.670 21.937 ( -3.451 -0.833 0.669) 3.612 22.005 ( 2.511 1.400 -1.199) 3.115 22.175 ( -0.878 -1.667 -0.743) 2.025 22.213 ( 5.911 0.238 2.296) 6.346 22.600 ( -0.536 1.799 3.817) 4.253 22.656 ( 0.756 1.221 -2.337) 2.743 22.905 ( -3.283 0.473 1.482) 3.632 22.976 ( 2.130 1.052 -1.830) 2.999 23.233 ( 0.835 3.949 7.265) 8.311 23.314 ( -1.496 1.368 -6.588) 6.893 23.486 ( -0.840 -3.672 6.788) 7.763 23.550 ( -0.814 -1.499 -1.844) 2.511 23.581 ( -3.551 0.480 3.979) 5.355 23.633 ( -0.769 -2.833 2.070) 3.592 23.714 ( 3.333 -1.613 -2.912) 4.711 23.797 ( 4.942 -7.830 -10.296) 13.847 24.248 ( -0.973 0.666 1.862) 2.204 24.285 ( 0.111 -0.576 -1.816) 1.909 24.437 ( -2.977 7.377 4.600) 9.189 24.555 ( -0.038 6.476 -7.799) 10.137 25.604 ( -0.028 -0.642 2.376) 2.461 25.629 ( 0.394 -0.729 -0.884) 1.212 ======================= Grid point 79 (42/52) ======================= q-point: (-0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 5.257 15.902 24.677) 29.824 1.213 ( -4.783 29.250 10.568) 31.466 1.588 ( 8.193 21.979 1.174) 23.486 1.737 ( -0.428 12.297 -9.304) 15.426 1.903 ( -9.032 12.730 -3.352) 15.964 1.967 ( 7.753 11.567 9.091) 16.630 2.020 ( -14.936 9.116 16.377) 23.966 2.117 ( -0.655 6.957 -8.716) 11.171 2.255 ( 3.026 2.586 8.188) 9.104 2.300 ( 0.575 5.015 -4.830) 6.987 2.334 ( 6.748 5.078 6.406) 10.600 2.468 ( 2.553 4.281 4.341) 6.610 2.529 ( 0.096 5.769 -3.433) 6.714 2.652 ( 4.196 0.146 1.396) 4.424 2.780 ( 5.700 2.680 1.340) 6.440 2.800 ( -2.742 -0.466 1.757) 3.289 2.848 ( -0.950 0.632 4.149) 4.303 2.930 ( -1.459 3.241 -2.454) 4.319 2.980 ( 0.210 -2.567 -4.911) 5.546 3.095 ( -1.176 0.266 -1.995) 2.332 3.179 ( 2.859 4.429 -0.734) 5.322 3.308 ( -1.796 5.906 -4.498) 7.638 3.418 ( -5.104 -4.506 2.457) 7.239 3.498 ( 1.503 0.468 1.851) 2.430 3.530 ( 1.022 -2.037 2.909) 3.695 3.606 ( 1.897 0.789 -0.872) 2.231 3.623 ( -1.428 4.080 -2.926) 5.219 3.723 ( -2.654 3.334 4.941) 6.525 3.835 ( 6.308 9.187 1.020) 11.191 3.880 ( 2.729 3.881 -5.468) 7.240 3.904 ( -5.968 4.986 0.576) 7.798 3.981 ( -2.465 4.014 3.598) 5.927 4.029 ( -4.766 -3.860 2.383) 6.580 4.153 ( -0.353 2.791 -6.903) 7.455 4.301 ( 6.222 0.799 7.742) 9.964 4.390 ( 3.141 -0.152 -4.919) 5.838 4.462 ( -0.427 0.651 0.415) 0.883 4.534 ( -0.194 0.300 -2.648) 2.672 4.628 ( 3.423 -4.566 -0.635) 5.741 4.816 ( 0.588 -0.899 2.187) 2.436 4.842 ( 3.737 -1.616 -5.684) 6.992 4.897 ( 0.849 -0.827 0.633) 1.343 4.941 ( -2.080 -3.384 6.111) 7.288 5.029 ( -5.284 -1.356 -8.802) 10.355 5.093 ( -3.524 2.663 0.179) 4.421 5.130 ( -3.474 -0.006 -1.069) 3.635 5.339 ( -0.497 -3.321 4.417) 5.549 5.364 ( -0.938 -1.164 -8.429) 8.561 5.409 ( 0.761 -9.813 3.851) 10.569 5.513 ( 0.450 -0.098 -2.307) 2.353 5.582 ( -5.579 -1.374 -3.605) 6.783 5.624 ( 6.191 -1.168 2.397) 6.741 5.683 ( 0.156 1.717 -5.235) 5.512 5.909 ( -2.304 -1.209 0.786) 2.718 6.035 ( 3.285 1.692 1.546) 4.005 6.101 ( -1.532 0.360 -2.198) 2.703 6.271 ( -1.036 0.137 0.796) 1.314 6.297 ( -2.779 0.015 -2.151) 3.514 6.388 ( -1.067 -1.071 -4.399) 4.651 6.523 ( -6.361 0.916 8.244) 10.453 6.611 ( 4.174 -0.405 2.756) 5.018 6.687 ( 3.742 -2.861 5.518) 7.255 6.783 ( 1.968 1.421 3.698) 4.423 6.910 ( 4.411 -0.923 -7.868) 9.067 6.983 ( -7.978 6.998 1.396) 10.704 7.130 ( -3.839 -0.133 -6.504) 7.553 7.708 ( -0.886 -0.201 8.173) 8.224 7.800 ( 3.785 -2.278 0.886) 4.505 7.829 ( 2.636 -1.310 -2.898) 4.130 7.870 ( 0.105 2.613 1.519) 3.024 7.958 ( 2.560 -2.115 -2.869) 4.388 7.976 ( -0.583 -4.343 -0.170) 4.386 8.222 ( 1.710 -2.989 -0.918) 3.564 8.290 ( -1.307 -0.993 1.370) 2.138 8.325 ( -0.250 -6.113 -0.162) 6.121 8.465 ( 2.553 -1.947 -4.163) 5.258 8.475 ( 0.580 -2.049 4.425) 4.911 8.591 ( 3.861 -0.913 -3.184) 5.087 8.651 ( 3.264 -0.022 -0.855) 3.374 8.680 ( 0.290 4.574 1.601) 4.855 8.734 ( 0.000 5.128 10.269) 11.478 8.955 ( 6.118 4.363 -5.613) 9.379 9.083 ( -4.375 -0.991 5.395) 7.017 9.116 ( -2.085 0.116 1.886) 2.814 9.203 ( -3.841 2.833 -6.161) 7.794 9.300 ( 0.300 3.376 -4.227) 5.418 9.490 ( 2.378 -0.421 6.923) 7.332 9.635 ( 0.180 1.258 3.781) 3.989 9.773 ( 3.015 1.927 -6.179) 7.140 9.977 ( -3.951 -0.120 1.107) 4.105 9.982 ( 0.672 2.875 0.965) 3.106 10.215 ( 1.503 -4.994 -1.724) 5.493 10.340 ( -2.941 3.983 -0.039) 4.951 10.413 ( 2.031 6.903 -6.938) 9.996 11.289 ( -2.465 2.407 6.525) 7.379 11.357 ( -1.949 0.833 -0.983) 2.336 11.607 ( 5.938 -0.999 -5.866) 8.406 11.654 ( 1.930 -1.184 -1.781) 2.881 11.701 ( 1.634 2.469 1.712) 3.420 11.780 ( 0.897 0.336 -0.165) 0.972 12.042 ( -2.938 -5.430 2.924) 6.831 12.199 ( -0.786 -1.113 -4.055) 4.278 12.248 ( -2.616 -1.732 2.608) 4.080 12.329 ( -1.414 -0.671 3.540) 3.871 12.380 ( 0.392 -2.190 -1.848) 2.892 12.536 ( -2.050 -2.401 9.416) 9.931 12.567 ( 0.001 -0.531 -3.975) 4.011 12.710 ( 2.212 3.339 -5.705) 6.970 12.964 ( 1.417 -7.696 6.173) 9.967 13.047 ( 1.434 -7.054 -7.364) 10.297 13.149 ( -0.427 -4.418 5.726) 7.245 13.368 ( 0.863 -1.876 -2.401) 3.167 13.423 ( 7.692 6.733 2.952) 10.640 13.469 ( 2.410 -1.481 1.111) 3.039 13.639 ( -0.323 -3.974 -2.072) 4.493 13.698 ( 2.802 5.290 3.463) 6.916 13.805 ( 2.483 0.954 -3.385) 4.305 13.835 ( -2.763 -5.755 1.724) 6.613 14.103 ( -6.772 6.630 -2.408) 9.779 14.300 ( 6.592 8.291 0.433) 10.601 14.497 ( 0.445 -5.697 6.443) 8.612 14.578 ( 1.119 -1.390 -4.006) 4.385 14.864 ( 0.443 -3.197 7.746) 8.391 15.140 ( -8.917 -0.789 -4.062) 9.831 15.185 ( 5.771 -2.491 4.824) 7.923 15.581 ( -0.476 6.263 -2.853) 6.898 15.979 ( -0.007 0.201 3.408) 3.414 16.325 ( -0.486 6.687 -0.674) 6.739 17.041 ( -2.336 -8.384 -4.301) 9.708 17.532 ( -8.567 -14.102 -3.820) 16.937 17.956 ( -2.404 1.545 3.949) 4.875 18.076 ( 2.420 1.773 -7.961) 8.508 20.591 ( 5.016 -0.969 3.631) 6.267 20.725 ( 4.301 -3.064 1.271) 5.431 21.109 ( -0.608 0.543 0.967) 1.264 21.219 ( 1.748 1.514 -0.009) 2.313 21.260 ( -1.483 2.413 0.869) 2.962 21.409 ( 0.598 2.066 0.606) 2.235 21.556 ( -7.712 1.659 1.096) 7.965 21.772 ( -2.768 -0.423 -4.992) 5.724 21.900 ( -1.367 -1.053 2.097) 2.716 22.016 ( 0.213 2.103 -3.216) 3.848 22.229 ( 5.766 -0.640 3.695) 6.878 22.378 ( 7.298 -2.680 2.570) 8.188 22.578 ( -3.809 0.643 -1.743) 4.238 22.689 ( 3.533 4.482 -0.791) 5.762 22.842 ( 0.657 -0.403 -1.371) 1.573 23.028 ( -0.531 -2.725 4.200) 5.035 23.238 ( -0.980 1.642 -0.930) 2.126 23.312 ( 0.647 4.417 4.157) 6.100 23.429 ( -3.292 -3.143 -4.008) 6.065 23.519 ( -3.570 -0.849 0.034) 3.670 23.580 ( 0.854 1.767 0.808) 2.122 23.614 ( -2.020 -3.017 0.662) 3.691 23.759 ( 3.069 -1.492 -1.643) 3.788 23.811 ( 1.866 -2.078 -5.823) 6.458 24.228 ( -2.426 0.940 1.559) 3.033 24.268 ( -0.051 -0.696 -2.312) 2.415 24.348 ( -6.835 5.885 0.964) 9.071 24.464 ( -3.358 10.905 -4.831) 12.391 25.639 ( 1.436 -1.652 1.586) 2.703 25.642 ( 1.026 -1.249 0.631) 1.736 ======================= Grid point 80 (43/52) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 0.991 13.540 18.005) 22.550 1.762 ( -1.600 12.610 16.621) 20.924 1.922 ( -1.542 10.725 -7.365) 13.102 2.067 ( 2.160 10.802 2.039) 11.203 2.103 ( 0.029 8.081 -7.588) 11.086 2.215 ( 4.137 18.601 -5.985) 19.973 2.338 ( -4.904 9.784 4.411) 11.800 2.383 ( 1.932 5.535 3.399) 6.777 2.429 ( 1.433 5.020 0.863) 5.291 2.480 ( -2.483 2.121 -2.414) 4.061 2.547 ( 5.016 4.886 7.723) 10.424 2.600 ( 4.149 13.696 9.507) 17.181 2.643 ( 3.343 -4.146 -2.103) 5.726 2.671 ( -4.125 -0.432 -2.776) 4.990 2.714 ( 2.360 8.058 3.552) 9.117 2.836 ( -0.562 3.174 1.813) 3.698 2.919 ( -3.660 2.746 -3.427) 5.717 2.945 ( -0.819 6.514 -3.792) 7.582 3.036 ( -1.960 1.013 0.892) 2.379 3.073 ( 2.786 0.579 -3.938) 4.859 3.267 ( 2.887 8.626 5.883) 10.833 3.324 ( 1.386 -1.123 2.505) 3.076 3.452 ( -2.911 -1.836 -2.038) 4.000 3.472 ( 5.719 6.944 -2.425) 9.317 3.553 ( -4.038 1.547 -2.783) 5.142 3.578 ( -3.939 2.448 -8.893) 10.029 3.687 ( 1.672 0.735 7.504) 7.723 3.817 ( -3.045 -1.600 1.150) 3.627 3.858 ( -0.997 5.923 7.918) 9.938 3.927 ( -0.368 -2.054 1.274) 2.445 4.030 ( 1.713 3.308 -3.686) 5.241 4.147 ( -1.741 7.992 -7.193) 10.892 4.197 ( 1.804 8.240 5.213) 9.916 4.257 ( 4.434 11.968 -1.506) 12.852 4.341 ( -2.121 0.751 0.914) 2.428 4.371 ( -4.591 -2.113 -2.066) 5.461 4.483 ( 5.342 -0.672 1.215) 5.519 4.564 ( 1.047 -5.854 0.299) 5.955 4.591 ( 3.302 2.460 1.369) 4.339 4.732 ( -1.866 1.063 -3.499) 4.106 4.751 ( -0.108 -2.915 0.361) 2.939 4.837 ( -1.418 -0.890 -8.140) 8.310 4.975 ( -4.371 3.093 3.709) 6.514 5.001 ( -0.379 4.257 1.350) 4.482 5.061 ( 2.282 -2.207 -1.123) 3.368 5.138 ( 6.165 -1.984 6.270) 9.015 5.201 ( -5.164 -1.310 -11.618) 12.782 5.257 ( -2.391 -4.042 3.831) 6.060 5.319 ( -0.739 -3.687 -4.553) 5.905 5.345 ( -3.525 -1.395 -2.629) 4.613 5.586 ( 0.327 0.626 2.530) 2.627 5.648 ( 0.780 1.565 -3.368) 3.795 5.826 ( 3.455 3.802 3.477) 6.203 5.895 ( -0.928 2.289 -1.462) 2.870 5.964 ( -4.117 -1.444 -0.359) 4.378 6.033 ( 3.059 -5.099 -6.331) 8.686 6.202 ( -3.763 -0.609 3.486) 5.165 6.277 ( 0.330 -1.349 -3.330) 3.608 6.455 ( 4.188 0.828 3.251) 5.366 6.460 ( -4.901 -0.166 3.554) 6.057 6.675 ( 0.870 -2.295 4.278) 4.931 6.745 ( 3.978 -3.652 3.307) 6.333 6.815 ( -1.368 -3.613 -2.696) 4.711 6.829 ( -1.623 -2.658 3.305) 4.542 6.920 ( 0.145 -4.317 -3.392) 5.492 7.022 ( 0.654 -0.336 -8.044) 8.078 7.721 ( -4.390 -2.142 6.468) 8.105 7.783 ( -2.381 -3.173 1.059) 4.106 7.787 ( 2.562 -2.944 -0.467) 3.931 7.841 ( 3.075 -2.909 -2.624) 4.980 7.979 ( 0.199 2.036 2.138) 2.959 8.015 ( 2.091 1.484 -1.012) 2.757 8.116 ( 2.293 -7.451 -2.595) 8.217 8.121 ( 0.698 -7.883 -2.958) 8.449 8.292 ( -0.164 -2.290 2.968) 3.753 8.372 ( -3.917 -3.997 -3.059) 6.378 8.531 ( 1.491 0.417 3.881) 4.179 8.586 ( -1.968 -0.532 -0.701) 2.156 8.707 ( 1.169 0.239 2.694) 2.946 8.722 ( -0.142 1.988 0.233) 2.007 8.931 ( 2.615 1.684 9.315) 9.821 8.995 ( 0.856 -0.485 -1.491) 1.786 9.084 ( 1.716 1.537 1.157) 2.578 9.165 ( -3.932 4.776 5.956) 8.588 9.261 ( 0.709 6.548 -3.656) 7.533 9.336 ( -1.222 6.179 -11.859) 13.428 9.479 ( -0.729 -3.619 10.772) 11.387 9.667 ( -2.189 1.545 -2.892) 3.943 9.797 ( 3.872 -0.652 -2.927) 4.897 9.840 ( -1.588 -0.099 -5.224) 5.461 10.105 ( 0.940 -0.574 3.050) 3.243 10.183 ( 1.190 0.512 -5.128) 5.289 10.409 ( -1.453 7.892 6.568) 10.370 10.572 ( 2.109 6.586 -9.236) 11.538 11.339 ( -1.710 2.004 6.925) 7.409 11.381 ( -0.287 1.358 3.076) 3.375 11.545 ( -3.884 -3.282 0.920) 5.168 11.655 ( 3.547 0.417 -7.673) 8.463 11.780 ( 0.705 0.823 1.504) 1.853 11.830 ( 2.319 2.475 -3.196) 4.660 12.007 ( 0.424 -2.055 5.272) 5.674 12.126 ( -0.720 -1.511 -5.009) 5.281 12.231 ( -3.107 -1.045 2.458) 4.097 12.272 ( 2.149 -1.796 -0.153) 2.805 12.369 ( -1.110 -1.515 4.433) 4.814 12.488 ( 2.382 -1.208 -5.429) 6.050 12.606 ( 0.779 2.577 6.588) 7.117 12.750 ( -2.106 0.373 -4.406) 4.898 12.827 ( -3.785 -3.974 1.796) 5.775 12.896 ( 4.655 -4.988 -3.725) 7.773 13.115 ( -0.934 -2.427 5.116) 5.739 13.227 ( -0.363 -5.911 -4.863) 7.662 13.438 ( 2.087 -3.373 2.268) 4.569 13.494 ( -3.787 -4.403 -2.070) 6.165 13.620 ( 1.584 -0.261 3.868) 4.188 13.702 ( -0.493 -4.021 -1.437) 4.298 13.870 ( -3.633 1.223 5.364) 6.593 13.972 ( 8.559 4.667 -1.848) 9.922 14.172 ( 0.968 4.902 0.268) 5.004 14.208 ( -6.024 5.071 -3.308) 8.540 14.592 ( -3.307 -6.158 3.448) 7.794 14.649 ( 5.205 -6.733 -1.682) 8.675 14.787 ( 2.839 -2.061 2.382) 4.241 14.868 ( -5.925 -0.731 -5.446) 8.081 15.385 ( 8.540 4.804 9.477) 13.631 15.572 ( -5.821 4.930 -7.849) 10.945 16.103 ( 1.653 0.841 6.517) 6.776 16.249 ( -1.451 -1.055 -7.212) 7.432 16.915 ( -4.759 -5.714 13.400) 15.325 17.186 ( 2.665 -5.214 -11.848) 13.216 17.957 ( -4.336 1.379 6.616) 8.030 18.120 ( 3.606 1.993 -7.948) 8.953 20.652 ( 2.311 -3.572 2.572) 4.971 20.683 ( -0.620 -3.712 -0.593) 3.810 21.123 ( -1.384 0.199 2.560) 2.917 21.182 ( 1.898 0.556 -3.013) 3.604 21.436 ( 2.653 6.112 3.017) 7.314 21.482 ( -1.741 6.851 -1.674) 7.264 21.552 ( 0.884 1.151 3.817) 4.083 21.659 ( -1.755 -0.298 -5.868) 6.132 21.896 ( 0.259 -0.830 4.685) 4.765 22.008 ( -0.751 -0.077 -5.331) 5.384 22.354 ( -0.223 -4.618 3.038) 5.533 22.363 ( 5.554 -4.522 4.524) 8.472 22.497 ( -4.943 1.017 -2.577) 5.666 22.564 ( -4.734 -2.705 -7.052) 8.914 22.932 ( 1.009 0.583 5.593) 5.713 23.025 ( 3.386 0.561 -2.451) 4.218 23.279 ( -0.154 0.598 1.808) 1.911 23.320 ( -0.157 -0.260 -2.265) 2.285 23.469 ( 0.602 -0.569 1.943) 2.112 23.501 ( 1.758 0.179 5.413) 5.694 23.524 ( -1.410 1.837 -2.859) 3.679 23.595 ( -1.678 -0.679 -3.617) 4.044 23.770 ( 3.404 0.254 4.109) 5.342 23.882 ( -0.650 4.695 -6.521) 8.062 24.217 ( -0.534 0.241 0.339) 0.677 24.236 ( -0.151 -0.283 -1.551) 1.583 24.462 ( -0.222 8.035 6.925) 10.610 24.602 ( -1.652 9.459 -6.519) 11.606 25.614 ( -0.527 -1.889 1.293) 2.349 25.628 ( 0.605 -1.504 -0.174) 1.631 ======================= Grid point 81 (44/52) ======================= q-point: ( 0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -1.241 12.230 6.210) 13.773 1.828 ( -1.483 9.995 4.786) 11.180 1.898 ( 2.496 11.303 2.367) 11.814 1.980 ( -4.750 14.231 -10.534) 18.332 2.071 ( -5.201 15.903 -1.381) 16.789 2.207 ( -10.156 6.264 -0.147) 11.933 2.238 ( 3.513 16.191 -1.996) 16.687 2.364 ( -1.687 2.893 2.758) 4.338 2.461 ( 0.934 5.989 0.127) 6.063 2.475 ( -4.283 -1.717 -3.464) 5.770 2.496 ( 0.912 4.251 2.963) 5.262 2.635 ( -0.741 7.037 -5.381) 8.889 2.718 ( 0.648 9.130 -1.293) 9.244 2.736 ( 4.028 -5.110 1.721) 6.730 2.782 ( -1.826 2.266 -4.852) 5.658 2.833 ( 1.051 4.729 -5.216) 7.118 2.881 ( 2.094 0.985 9.340) 9.623 2.942 ( 4.100 7.191 1.573) 8.425 3.029 ( 0.283 -4.636 -0.711) 4.699 3.100 ( 2.971 10.783 -1.438) 11.277 3.293 ( -4.565 8.051 2.058) 9.481 3.363 ( 1.644 1.390 -3.126) 3.796 3.381 ( 0.219 0.565 -7.708) 7.731 3.485 ( 1.239 1.761 2.677) 3.436 3.519 ( 3.858 0.718 2.807) 4.825 3.687 ( 8.876 4.884 2.874) 10.531 3.717 ( -2.586 2.518 -2.326) 4.294 3.814 ( 0.696 2.742 4.185) 5.052 3.847 ( -7.453 3.333 2.952) 8.682 3.908 ( -0.436 3.319 5.614) 6.536 4.022 ( -5.781 0.514 -1.491) 5.992 4.055 ( 1.596 5.397 0.840) 5.690 4.204 ( -1.231 0.581 -3.892) 4.123 4.229 ( 0.516 7.663 -1.249) 7.782 4.277 ( 0.378 6.891 -0.833) 6.952 4.394 ( -5.341 -1.673 -2.624) 6.181 4.482 ( 1.688 -0.734 0.960) 2.076 4.610 ( -3.308 3.839 -5.266) 7.309 4.629 ( 4.248 -1.073 -6.314) 7.685 4.725 ( 2.928 2.427 3.824) 5.393 4.796 ( 2.468 -1.634 1.699) 3.413 4.823 ( -2.316 -1.492 0.314) 2.773 4.926 ( 1.172 2.534 4.284) 5.114 4.980 ( -0.576 -1.979 4.574) 5.017 5.027 ( -2.601 -0.660 -2.522) 3.682 5.135 ( -0.549 -4.063 -6.535) 7.714 5.181 ( 0.771 -4.224 3.904) 5.803 5.286 ( -1.418 -0.121 2.310) 2.713 5.332 ( 0.735 -1.031 2.236) 2.570 5.381 ( 10.625 -3.007 2.487) 11.319 5.579 ( -2.247 -0.261 0.359) 2.290 5.643 ( 1.620 2.784 -2.839) 4.294 5.805 ( -3.576 5.253 -2.704) 6.906 5.928 ( 4.662 0.323 1.229) 4.833 5.960 ( -0.677 -1.039 2.381) 2.684 6.052 ( 1.609 -5.714 -3.151) 6.721 6.153 ( -4.650 -2.072 5.696) 7.639 6.272 ( 0.812 0.792 0.988) 1.504 6.396 ( -1.098 -0.165 -0.043) 1.111 6.548 ( 0.729 0.019 2.555) 2.657 6.652 ( -3.321 -4.585 0.823) 5.721 6.732 ( -4.730 -3.037 2.895) 6.323 6.767 ( 1.085 -3.285 -5.998) 6.924 6.884 ( 1.039 -2.328 -3.162) 4.061 6.953 ( 4.408 -3.379 4.892) 7.401 7.079 ( 8.970 -0.819 -4.547) 10.090 7.682 ( -3.260 -4.615 3.643) 6.723 7.730 ( -3.105 0.046 1.481) 3.440 7.828 ( 0.728 -2.115 0.479) 2.287 7.886 ( 1.789 -2.687 -1.173) 3.434 7.950 ( -2.454 0.667 -2.337) 3.454 7.971 ( -3.994 -0.789 -2.968) 5.038 8.108 ( 0.905 -7.534 -3.101) 8.197 8.139 ( 1.761 -6.695 -2.661) 7.416 8.268 ( -4.637 -5.307 -0.264) 7.053 8.331 ( -0.903 -2.119 5.624) 6.078 8.453 ( -6.564 -0.997 -1.201) 6.747 8.608 ( 1.677 0.659 2.084) 2.755 8.727 ( 0.966 2.515 -3.050) 4.069 8.741 ( 0.599 0.903 2.798) 3.001 8.906 ( -3.698 4.369 0.953) 5.803 9.053 ( -1.900 -1.677 -4.304) 4.995 9.130 ( -0.871 4.770 6.942) 8.468 9.171 ( 2.114 2.302 5.089) 5.972 9.250 ( 4.251 8.827 -6.497) 11.756 9.317 ( 4.651 3.220 -1.645) 5.891 9.539 ( -2.356 -2.828 6.468) 7.442 9.626 ( 0.712 1.728 -3.218) 3.722 9.747 ( -1.931 0.096 -2.975) 3.548 9.886 ( 5.623 -1.130 0.151) 5.737 10.127 ( -2.939 -0.412 -5.501) 6.251 10.146 ( 1.502 1.697 0.695) 2.370 10.440 ( -0.218 7.856 4.841) 9.231 10.534 ( 0.699 5.714 -6.645) 8.792 11.365 ( -0.856 2.871 6.225) 6.908 11.399 ( -2.414 0.557 6.287) 6.757 11.498 ( 0.738 -0.727 -3.809) 3.947 11.639 ( -0.050 -1.610 -5.171) 5.416 11.792 ( -0.077 0.970 -1.138) 1.498 11.835 ( 0.657 3.069 -2.986) 4.331 12.033 ( -1.647 -2.710 4.967) 5.893 12.045 ( -2.946 -1.616 -4.168) 5.354 12.196 ( 0.230 -2.490 1.577) 2.957 12.328 ( 1.884 -2.157 0.941) 3.015 12.376 ( -1.703 -1.049 2.736) 3.389 12.503 ( 3.782 0.677 -4.030) 5.568 12.643 ( -5.854 0.245 3.247) 6.699 12.677 ( 0.276 -1.528 -2.967) 3.348 12.785 ( -0.581 -0.804 2.034) 2.263 12.969 ( 4.898 -2.509 -2.750) 6.153 13.146 ( -0.012 -4.796 4.463) 6.552 13.208 ( 2.094 -4.042 -1.686) 4.854 13.418 ( -2.652 -3.963 -0.794) 4.834 13.507 ( 1.891 -3.807 2.264) 4.816 13.600 ( -3.585 -0.534 -1.963) 4.122 13.702 ( -5.026 -1.531 0.717) 5.302 13.768 ( -1.576 1.034 4.796) 5.153 13.924 ( -7.206 2.839 -8.666) 11.622 14.198 ( 5.799 3.350 3.356) 7.491 14.362 ( 2.201 -6.945 -0.031) 7.285 14.396 ( -4.215 2.571 1.540) 5.172 14.557 ( -5.781 0.869 0.199) 5.850 14.857 ( 0.353 -3.238 -0.707) 3.332 14.964 ( 6.981 -4.332 2.425) 8.566 15.375 ( -2.493 3.838 -5.811) 7.397 15.713 ( 13.436 8.122 1.025) 15.734 15.977 ( -7.853 -1.139 0.756) 7.971 16.399 ( 9.090 0.818 0.194) 9.129 16.849 ( -5.681 -1.610 7.718) 9.718 17.220 ( 4.516 -10.783 -5.395) 12.875 17.933 ( -4.009 1.634 8.990) 9.978 18.131 ( 3.614 1.760 -7.565) 8.566 20.619 ( -3.719 -1.879 -1.769) 4.527 20.663 ( -2.162 -4.400 -0.318) 4.913 21.135 ( 1.067 0.048 1.630) 1.949 21.233 ( 4.247 1.243 -2.690) 5.178 21.378 ( -3.276 6.196 -0.417) 7.021 21.506 ( -3.276 3.168 -3.294) 5.624 21.615 ( 7.768 3.068 3.116) 8.914 21.693 ( 5.080 0.426 0.164) 5.101 21.951 ( 1.140 0.659 4.092) 4.299 21.961 ( 0.305 -1.779 -3.541) 3.974 22.285 ( -7.553 -4.380 -3.681) 9.475 22.338 ( -4.919 -0.718 0.918) 5.056 22.468 ( 1.085 -4.927 3.910) 6.383 22.616 ( 5.941 0.482 5.761) 8.290 22.862 ( -5.336 2.012 -1.916) 6.016 23.109 ( 4.782 -1.129 -4.292) 6.524 23.287 ( -0.310 0.465 1.288) 1.404 23.323 ( 0.551 -1.393 -1.617) 2.204 23.423 ( -3.027 2.258 1.555) 4.084 23.506 ( -2.114 1.224 -2.126) 3.238 23.566 ( 1.338 -0.727 1.148) 1.907 23.568 ( 1.906 -1.904 2.159) 3.452 23.768 ( -3.653 1.714 -6.703) 7.824 23.825 ( -1.202 2.892 0.830) 3.240 24.225 ( 0.703 0.272 0.751) 1.064 24.247 ( 1.749 -0.384 -0.215) 1.804 24.530 ( 1.645 9.663 3.548) 10.424 24.589 ( 3.927 6.786 -0.347) 7.848 25.605 ( -1.104 -1.586 0.780) 2.084 25.631 ( -0.007 -1.465 -0.608) 1.586 ======================= Grid point 82 (45/52) ======================= q-point: (-0.60 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -6.882 13.938 -7.477) 17.249 1.722 ( -6.882 12.282 -7.034) 15.738 1.853 ( -7.876 15.358 1.653) 17.339 1.921 ( 0.277 14.538 -5.850) 15.673 2.016 ( 2.174 8.324 10.189) 13.335 2.134 ( 1.469 7.530 6.838) 10.277 2.289 ( 1.216 9.942 0.078) 10.016 2.368 ( -0.248 3.521 -5.992) 6.954 2.387 ( -3.423 -0.828 -2.766) 4.478 2.427 ( -0.786 3.750 0.317) 3.844 2.528 ( -2.214 6.583 -0.339) 6.953 2.571 ( 1.840 6.054 -5.727) 8.534 2.702 ( -3.217 9.215 1.368) 9.856 2.714 ( 0.742 4.106 -0.437) 4.195 2.781 ( -0.324 5.516 1.797) 5.810 2.865 ( 1.088 0.675 -2.933) 3.200 2.922 ( 0.414 -1.219 0.079) 1.289 2.974 ( 0.068 -0.784 -0.743) 1.083 3.033 ( 1.290 0.425 0.562) 1.470 3.175 ( 3.191 10.083 -1.452) 10.676 3.234 ( -2.030 3.486 0.460) 4.060 3.332 ( -1.548 -3.440 -2.228) 4.381 3.384 ( 3.596 -1.046 -4.151) 5.591 3.467 ( -8.100 7.211 -1.682) 10.975 3.595 ( 0.867 0.719 3.605) 3.777 3.645 ( 1.441 8.427 5.574) 10.206 3.774 ( -0.063 7.509 0.140) 7.511 3.867 ( 0.133 2.564 1.500) 2.974 3.882 ( 0.637 6.005 2.970) 6.729 3.905 ( -1.977 7.067 2.444) 7.734 3.933 ( 2.906 3.261 -0.412) 4.387 4.061 ( -1.526 -0.935 0.866) 1.988 4.221 ( 3.396 1.141 -1.881) 4.046 4.251 ( 3.791 2.448 -4.187) 6.156 4.298 ( 2.221 6.140 -3.200) 7.271 4.352 ( 1.272 3.338 5.121) 6.244 4.463 ( -3.480 0.845 1.438) 3.859 4.500 ( -3.756 -0.662 -2.606) 4.620 4.634 ( 1.289 -1.798 -4.725) 5.218 4.688 ( -5.575 0.750 -0.811) 5.684 4.750 ( -0.826 -0.463 -2.313) 2.500 4.875 ( 2.610 0.099 6.298) 6.818 4.942 ( -5.590 -1.132 -2.471) 6.215 5.012 ( 2.930 -2.497 3.952) 5.517 5.089 ( 1.945 -7.512 0.258) 7.764 5.151 ( 6.013 -2.154 -1.774) 6.629 5.224 ( -2.181 -0.436 8.554) 8.838 5.282 ( 2.398 0.469 1.078) 2.671 5.369 ( 1.199 2.945 0.115) 3.182 5.528 ( 0.430 1.946 -2.320) 3.058 5.580 ( 7.610 -2.401 -1.863) 8.195 5.690 ( 2.148 1.865 2.008) 3.482 5.752 ( 1.570 4.267 -2.946) 5.417 5.903 ( -7.366 -2.683 1.814) 8.047 5.971 ( -1.434 -2.186 1.026) 2.809 6.020 ( -0.648 -3.540 -2.609) 4.445 6.208 ( 5.129 -0.606 8.535) 9.976 6.329 ( 2.611 -0.096 5.198) 5.817 6.401 ( -0.704 -0.733 0.022) 1.017 6.521 ( -3.426 -0.793 -1.081) 3.679 6.595 ( -3.165 -2.721 0.635) 4.222 6.686 ( -2.367 -2.396 5.427) 6.387 6.779 ( 4.373 -1.718 -9.693) 10.772 6.813 ( -3.664 -2.116 -3.622) 5.570 7.078 ( 2.800 -3.653 6.306) 7.807 7.212 ( 7.328 -0.888 -4.403) 8.595 7.668 ( -0.425 -4.539 2.686) 5.291 7.705 ( -1.140 1.622 2.596) 3.266 7.797 ( -3.423 0.920 -0.879) 3.652 7.830 ( -3.435 -3.339 -2.083) 5.224 7.874 ( -3.198 -2.873 -2.221) 4.839 7.935 ( 1.675 -5.496 -5.544) 7.984 8.122 ( 1.841 -4.867 -0.058) 5.204 8.146 ( 0.481 -7.130 -1.094) 7.230 8.207 ( -0.535 -6.557 -0.999) 6.654 8.281 ( -5.023 -2.380 -0.374) 5.571 8.431 ( 1.382 -0.080 5.925) 6.085 8.637 ( 0.773 0.278 -1.216) 1.468 8.706 ( -1.172 1.416 -0.186) 1.848 8.761 ( -0.651 2.782 -0.944) 3.009 8.831 ( -5.879 7.043 5.071) 10.482 8.979 ( -0.141 -0.457 -6.272) 6.290 9.138 ( -1.647 4.015 2.904) 5.222 9.196 ( 0.054 2.757 0.901) 2.901 9.357 ( 2.874 6.937 1.900) 7.745 9.400 ( 6.289 2.091 -1.427) 6.779 9.492 ( -4.181 0.412 2.224) 4.753 9.575 ( -1.504 3.263 -4.395) 5.677 9.797 ( 5.357 -2.968 1.878) 6.405 9.998 ( -2.613 -2.839 -6.793) 7.812 10.018 ( 4.097 4.371 3.200) 6.792 10.162 ( -0.025 3.110 -1.601) 3.498 10.460 ( 0.104 4.811 1.190) 4.957 10.507 ( 0.129 3.209 -3.443) 4.708 11.345 ( -7.077 2.256 11.227) 13.461 11.433 ( 2.370 -0.181 1.936) 3.065 11.511 ( 3.914 2.010 -6.174) 7.581 11.587 ( -0.893 -1.368 -5.004) 5.264 11.766 ( -1.211 2.339 -1.571) 3.067 11.796 ( -1.784 2.886 -2.447) 4.183 12.020 ( -2.021 -4.456 2.689) 5.583 12.027 ( 1.713 -3.600 -0.178) 3.991 12.262 ( 4.624 -3.282 1.804) 5.950 12.331 ( -0.947 -2.171 0.059) 2.370 12.384 ( -0.624 -0.008 4.075) 4.123 12.497 ( -7.202 -1.886 -1.400) 7.575 12.559 ( 2.709 2.228 -0.966) 3.639 12.651 ( -0.149 -1.821 -4.993) 5.317 12.818 ( -0.876 0.770 6.947) 7.044 13.003 ( 1.440 -4.716 -4.639) 6.770 13.208 ( 5.597 1.108 1.037) 5.799 13.286 ( 4.371 -3.032 2.447) 5.856 13.384 ( -1.367 -2.289 0.667) 2.748 13.439 ( -7.833 3.675 -3.044) 9.172 13.499 ( -3.492 -3.122 1.108) 4.813 13.692 ( -0.822 -3.398 0.672) 3.560 13.746 ( -3.113 -2.861 -1.641) 4.535 13.824 ( 2.248 -1.988 1.304) 3.273 14.185 ( -6.119 -2.347 0.192) 6.557 14.243 ( -1.743 -1.599 -5.096) 5.619 14.508 ( 5.393 3.831 6.028) 8.950 14.676 ( 10.273 0.648 5.202) 11.533 14.780 ( -6.088 1.159 -1.941) 6.494 14.982 ( -4.686 -4.680 -3.591) 7.533 15.406 ( 7.392 3.053 0.703) 8.029 15.690 ( -8.262 5.397 -6.428) 11.778 16.101 ( 12.757 3.931 5.165) 14.313 16.389 ( -8.985 7.393 0.505) 11.646 16.962 ( 9.949 -9.436 4.412) 14.404 17.197 ( -3.111 -13.502 -4.272) 14.499 17.942 ( -2.756 1.203 9.845) 10.294 18.138 ( 3.143 1.559 -7.692) 8.454 20.562 ( -0.540 -0.939 -1.393) 1.765 20.598 ( -3.450 -3.154 -1.396) 4.879 21.172 ( 1.170 0.671 1.706) 2.175 21.250 ( -0.154 3.219 -3.033) 4.426 21.357 ( 0.393 2.826 0.872) 2.983 21.430 ( -1.584 3.528 -3.537) 5.241 21.734 ( 1.302 -0.808 3.253) 3.596 21.792 ( 4.955 2.390 -1.166) 5.623 21.943 ( 1.801 -1.252 -1.365) 2.584 22.015 ( 0.289 1.200 2.076) 2.415 22.155 ( -1.879 0.137 -1.321) 2.301 22.243 ( -5.601 -0.298 -0.102) 5.610 22.538 ( 2.078 -4.625 6.294) 8.083 22.699 ( -1.644 3.273 1.232) 3.864 22.835 ( 3.777 -0.770 2.954) 4.857 23.097 ( -0.946 0.463 -8.547) 8.611 23.265 ( -1.667 1.014 1.100) 2.240 23.321 ( 0.414 -3.133 2.088) 3.787 23.427 ( -1.639 1.886 -3.072) 3.960 23.460 ( 0.901 -6.153 1.432) 6.382 23.584 ( -0.812 -0.239 1.095) 1.384 23.610 ( -0.194 -0.826 3.320) 3.427 23.681 ( 1.328 0.973 -6.301) 6.513 23.770 ( -3.064 2.572 -2.789) 4.877 24.248 ( 0.733 0.320 1.149) 1.400 24.274 ( 0.996 -0.380 -0.494) 1.175 24.598 ( 1.701 8.882 4.251) 9.992 24.665 ( 3.531 5.846 -0.494) 6.848 25.590 ( -1.015 -0.931 1.045) 1.729 25.620 ( -0.307 -1.041 -1.052) 1.512 ======================= Grid point 83 (46/52) ======================= q-point: (-0.40 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -10.401 17.634 7.612) 21.843 1.736 ( -3.390 13.565 5.227) 14.928 1.742 ( 6.664 14.376 -1.761) 15.943 1.930 ( 3.869 13.817 -2.994) 14.657 2.133 ( 0.750 2.798 6.492) 7.108 2.210 ( 1.719 4.084 -2.920) 5.306 2.244 ( -2.703 7.435 1.802) 8.114 2.324 ( -2.870 3.999 -1.687) 5.203 2.337 ( 3.740 3.969 -2.206) 5.882 2.459 ( 5.028 3.495 -2.057) 6.459 2.481 ( -4.303 7.949 3.015) 9.529 2.575 ( -2.671 4.213 -0.651) 5.031 2.620 ( -2.081 15.840 3.523) 16.360 2.730 ( -2.090 7.416 -0.944) 7.762 2.803 ( -3.208 1.294 -0.198) 3.465 2.840 ( 4.142 5.347 3.260) 7.508 2.909 ( -2.839 1.682 -2.424) 4.094 2.952 ( 1.388 -2.276 -1.632) 3.126 3.098 ( -0.811 6.022 2.123) 6.436 3.141 ( 0.178 -0.052 -2.320) 2.328 3.225 ( -4.412 5.427 0.497) 7.012 3.264 ( -0.583 -2.481 1.419) 2.917 3.366 ( -0.872 -4.725 1.071) 4.923 3.463 ( 6.135 4.267 -1.449) 7.612 3.622 ( -4.011 6.758 5.285) 9.470 3.704 ( -0.065 4.032 1.601) 4.339 3.744 ( -0.094 4.176 -2.165) 4.705 3.819 ( 3.068 5.469 1.985) 6.578 3.926 ( -2.010 8.578 0.566) 8.829 3.939 ( -3.028 0.672 2.031) 3.708 3.979 ( 4.763 7.248 -4.026) 9.562 4.050 ( 1.975 -0.772 -1.949) 2.880 4.187 ( -2.946 3.877 -2.704) 5.570 4.252 ( -1.914 4.081 -2.915) 5.368 4.357 ( -0.683 2.089 4.437) 4.951 4.370 ( -1.974 4.596 -2.974) 5.820 4.450 ( 4.217 -0.968 0.889) 4.417 4.470 ( 3.748 4.671 -0.290) 5.996 4.605 ( -2.444 -3.758 -1.876) 4.859 4.686 ( 4.431 -2.790 -0.197) 5.240 4.771 ( -1.214 -1.876 -0.661) 2.330 4.819 ( 1.916 -0.254 1.518) 2.458 4.962 ( -1.457 -4.643 4.344) 6.523 5.043 ( 0.203 -4.082 -2.192) 4.637 5.103 ( -0.619 -4.198 -0.243) 4.250 5.148 ( 1.012 0.677 -1.138) 1.667 5.264 ( -5.175 1.204 -0.800) 5.373 5.297 ( 1.029 2.357 7.492) 7.921 5.459 ( 6.655 0.422 -4.008) 7.781 5.511 ( 3.000 2.237 -8.095) 8.918 5.588 ( -6.153 1.191 -2.148) 6.625 5.704 ( 1.162 2.741 1.882) 3.522 5.738 ( -5.144 -1.196 -1.819) 5.586 5.917 ( 7.429 -0.062 0.357) 7.438 5.946 ( -0.315 -1.521 2.498) 2.941 6.030 ( 3.259 -4.070 -2.309) 5.703 6.303 ( -5.701 -0.625 -0.543) 5.761 6.360 ( 0.973 -1.514 4.603) 4.943 6.430 ( -3.992 -0.825 -2.669) 4.872 6.452 ( 5.309 0.239 5.448) 7.611 6.549 ( -5.878 -1.577 8.276) 10.273 6.668 ( -2.861 -0.885 -5.094) 5.909 6.721 ( 0.603 -2.236 3.627) 4.304 6.834 ( 5.433 -2.731 -7.004) 9.275 7.108 ( -4.214 -3.318 3.978) 6.678 7.243 ( 0.334 -0.467 -7.236) 7.258 7.688 ( -1.145 1.098 3.686) 4.013 7.729 ( 2.713 -2.456 2.109) 4.224 7.747 ( -0.999 -0.714 0.595) 1.364 7.803 ( 1.330 -3.988 -0.129) 4.206 7.848 ( 1.679 -5.083 -1.129) 5.470 7.918 ( 1.836 -3.302 -4.880) 6.171 8.139 ( 0.274 -7.461 -0.844) 7.514 8.148 ( -0.847 -5.284 -0.890) 5.425 8.189 ( 0.200 -4.160 0.386) 4.183 8.285 ( 6.416 -4.214 -1.805) 7.885 8.505 ( -0.520 1.766 7.541) 7.763 8.600 ( -0.712 0.657 -7.045) 7.111 8.692 ( -4.645 2.461 3.176) 6.142 8.702 ( -1.351 0.227 5.995) 6.150 8.812 ( -1.785 4.300 4.536) 6.500 8.968 ( 3.760 1.560 -6.344) 7.537 9.124 ( -2.502 2.177 2.999) 4.471 9.203 ( 0.610 3.744 0.409) 3.815 9.327 ( -6.068 2.285 4.532) 7.911 9.441 ( -3.267 4.152 -0.434) 5.301 9.485 ( 3.690 4.170 -2.589) 6.141 9.590 ( 4.903 3.031 -1.915) 6.074 9.881 ( -0.941 -0.541 -6.808) 6.894 9.910 ( 2.964 -3.984 2.305) 5.475 10.104 ( -2.750 3.842 -4.340) 6.416 10.133 ( 3.388 3.233 0.870) 4.763 10.433 ( -3.361 2.030 1.478) 4.195 10.525 ( 4.430 3.386 -3.677) 6.679 11.312 ( -4.792 1.387 10.557) 11.676 11.457 ( -3.429 -0.312 2.081) 4.024 11.537 ( 5.670 3.775 -6.050) 9.110 11.586 ( 4.781 -0.893 -5.714) 7.504 11.738 ( -0.708 2.696 0.782) 2.895 11.776 ( 0.437 1.124 -0.572) 1.335 11.968 ( -4.259 -4.123 2.885) 6.593 12.095 ( 4.597 -4.981 -1.814) 7.017 12.298 ( -4.887 -2.368 -0.300) 5.439 12.330 ( 0.293 -0.939 0.928) 1.352 12.360 ( -2.252 0.828 2.698) 3.611 12.435 ( 0.349 -2.002 4.615) 5.043 12.610 ( -0.429 0.197 -4.299) 4.325 12.633 ( 7.086 -0.251 -3.470) 7.894 12.839 ( -2.916 -1.459 8.503) 9.107 12.976 ( 0.125 -4.699 -5.803) 7.469 13.221 ( -7.192 3.225 -0.427) 7.893 13.331 ( -0.309 -3.109 -2.609) 4.070 13.386 ( 5.857 3.399 0.874) 6.828 13.400 ( 2.903 -0.278 -0.105) 2.918 13.541 ( 2.793 -2.181 8.256) 8.984 13.586 ( -1.203 -4.612 -3.735) 6.055 13.798 ( 0.987 -3.089 3.299) 4.626 13.830 ( -1.092 -3.345 -3.631) 5.056 14.154 ( 1.140 -1.259 2.781) 3.258 14.208 ( 3.673 -0.660 -2.335) 4.402 14.593 ( -7.057 3.368 -0.176) 7.822 14.700 ( 5.814 2.214 3.440) 7.109 14.789 ( -9.612 -0.766 -4.278) 10.548 14.909 ( 8.032 -2.389 2.538) 8.756 15.467 ( -10.838 3.963 -5.271) 12.687 15.582 ( 8.378 2.144 4.098) 9.570 16.180 ( -11.467 7.653 -1.925) 13.920 16.352 ( 9.403 5.559 3.698) 11.532 16.974 ( -11.088 -13.775 2.069) 17.804 17.225 ( 9.109 -11.935 -5.140) 15.869 17.965 ( -2.255 0.855 8.556) 8.889 18.133 ( 2.533 1.644 -8.130) 8.673 20.541 ( -1.503 -1.335 0.145) 2.016 20.583 ( 3.018 -1.858 0.087) 3.545 21.179 ( -2.245 1.814 1.690) 3.345 21.231 ( 0.751 1.868 -1.884) 2.757 21.353 ( -1.771 3.349 1.367) 4.028 21.415 ( 2.132 2.528 -2.294) 4.025 21.737 ( -3.632 1.118 3.240) 4.994 21.808 ( -0.424 -1.526 -3.337) 3.694 21.935 ( -5.035 0.993 0.308) 5.141 22.027 ( 4.437 0.904 0.255) 4.535 22.152 ( -2.803 -0.026 -0.744) 2.900 22.228 ( 6.208 1.017 1.099) 6.386 22.615 ( 0.923 -0.449 4.397) 4.515 22.675 ( 1.573 0.766 -3.010) 3.481 22.922 ( -0.648 0.695 5.396) 5.479 22.986 ( -2.897 -0.791 -6.806) 7.439 23.282 ( -1.475 -1.421 0.451) 2.097 23.306 ( 1.413 -4.272 0.857) 4.581 23.406 ( -0.662 0.037 2.518) 2.603 23.469 ( 1.242 -3.761 -3.324) 5.171 23.583 ( -0.817 -0.672 2.988) 3.169 23.615 ( -0.540 0.581 1.320) 1.540 23.688 ( -0.416 0.228 -3.611) 3.642 23.743 ( 5.488 2.101 -2.567) 6.412 24.259 ( -0.509 0.327 0.692) 0.919 24.274 ( -0.188 -0.344 -0.978) 1.053 24.599 ( -4.701 7.176 2.992) 9.085 24.711 ( 2.519 7.201 -3.612) 8.441 25.589 ( -0.271 -0.695 1.895) 2.037 25.611 ( 0.202 -0.863 -0.844) 1.224 ======================= Grid point 84 (47/52) ======================= q-point: (-0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 1.991 16.333 18.131) 24.484 1.705 ( -5.280 14.910 15.564) 22.190 1.949 ( 6.730 9.999 -1.528) 12.150 1.982 ( 5.580 11.014 -1.396) 12.425 2.144 ( 0.273 8.836 5.058) 10.185 2.191 ( -3.557 5.726 -6.060) 9.064 2.257 ( 6.231 6.906 -4.177) 10.196 2.314 ( 4.004 5.603 6.273) 9.315 2.400 ( -4.014 11.028 3.307) 12.193 2.462 ( 5.126 3.795 3.304) 7.183 2.484 ( -4.507 14.390 8.248) 17.188 2.545 ( -0.430 -1.224 -4.278) 4.471 2.634 ( 2.625 7.553 1.590) 8.152 2.676 ( -2.815 9.333 0.876) 9.787 2.773 ( -3.175 -3.617 0.168) 4.815 2.828 ( 1.159 4.689 -3.532) 5.984 2.953 ( -0.778 -0.420 1.546) 1.781 2.971 ( 2.835 1.696 1.531) 3.641 3.031 ( -1.858 8.062 -0.292) 8.278 3.104 ( -2.235 3.760 -4.776) 6.477 3.218 ( 0.199 1.740 4.384) 4.721 3.291 ( -0.197 -4.347 3.277) 5.447 3.381 ( 2.846 1.098 -0.628) 3.114 3.529 ( -2.807 2.512 -0.468) 3.795 3.586 ( 1.445 3.320 3.425) 4.984 3.675 ( -1.587 6.262 -4.356) 7.791 3.752 ( -3.829 5.270 -3.081) 7.206 3.825 ( -2.180 5.678 5.723) 8.351 3.850 ( -4.118 -6.613 2.139) 8.079 3.947 ( 0.418 3.281 -2.851) 4.366 4.012 ( 2.199 6.392 -1.463) 6.916 4.087 ( 1.990 -0.963 3.905) 4.488 4.153 ( 4.585 12.033 -0.656) 12.894 4.190 ( 0.599 5.640 -5.503) 7.903 4.369 ( 4.357 4.330 -1.432) 6.307 4.390 ( -2.474 1.771 -3.619) 4.729 4.460 ( -0.526 -0.084 3.921) 3.957 4.548 ( -0.066 -0.645 -3.411) 3.472 4.565 ( 3.075 -1.808 0.269) 3.577 4.733 ( 1.190 -1.804 2.430) 3.252 4.822 ( -8.747 -3.015 0.272) 9.256 4.830 ( 7.015 -2.236 -0.844) 7.411 4.952 ( 3.016 3.193 5.231) 6.831 5.036 ( -1.068 0.271 -3.656) 3.818 5.079 ( -1.165 -5.058 -3.928) 6.509 5.109 ( -2.697 -1.810 -6.328) 7.113 5.219 ( -0.164 -2.465 5.672) 6.187 5.332 ( -0.648 3.010 2.238) 3.806 5.383 ( -3.889 0.004 -8.800) 9.621 5.483 ( -3.226 -2.484 -7.922) 8.907 5.575 ( -3.838 -0.271 2.180) 4.422 5.622 ( 5.911 2.006 -2.428) 6.698 5.769 ( 0.315 6.377 0.553) 6.409 5.910 ( -1.664 0.522 1.151) 2.090 6.025 ( 2.246 -2.364 -1.813) 3.731 6.058 ( -1.006 -4.031 -3.382) 5.357 6.252 ( -0.917 -1.981 -1.335) 2.559 6.293 ( -1.526 -0.535 -2.197) 2.728 6.375 ( -1.047 0.363 0.570) 1.246 6.532 ( -5.981 -0.728 11.200) 12.718 6.596 ( 5.876 -0.996 3.067) 6.703 6.622 ( 1.892 -2.280 0.509) 3.006 6.784 ( 1.387 -2.061 5.592) 6.119 6.864 ( 2.851 -3.445 -7.024) 8.327 7.005 ( -7.053 -3.700 0.129) 7.966 7.138 ( -4.317 -0.602 -8.519) 9.570 7.713 ( 0.741 -0.181 3.651) 3.730 7.754 ( 1.319 -1.400 0.453) 1.976 7.783 ( -0.289 -3.382 2.231) 4.062 7.842 ( 0.016 -4.210 0.918) 4.309 7.904 ( 6.071 -1.892 0.836) 6.414 7.947 ( 2.909 -0.456 -0.577) 3.001 8.109 ( 0.072 -5.175 -2.915) 5.940 8.135 ( 0.074 -8.396 -1.802) 8.587 8.260 ( 4.366 -3.026 -0.529) 5.338 8.412 ( 6.427 -2.303 2.323) 7.211 8.457 ( -2.986 -1.580 -2.864) 4.429 8.603 ( 0.673 1.111 0.834) 1.544 8.661 ( -0.935 0.956 3.930) 4.152 8.734 ( -0.495 0.905 3.428) 3.580 8.817 ( -1.429 1.446 9.086) 9.311 9.010 ( 3.632 1.431 -3.161) 5.023 9.078 ( -3.323 1.672 0.628) 3.773 9.201 ( -3.574 6.216 3.951) 8.187 9.283 ( -0.873 3.352 0.867) 3.571 9.381 ( -0.303 4.289 -2.639) 5.044 9.492 ( -2.256 1.227 -0.221) 2.578 9.670 ( 2.572 2.475 3.258) 4.833 9.813 ( 1.047 -0.417 -13.640) 13.686 9.905 ( -3.697 -2.019 -0.436) 4.235 10.066 ( 1.486 -0.812 0.570) 1.787 10.177 ( 1.887 3.060 -1.767) 4.006 10.402 ( -2.136 4.635 4.265) 6.651 10.574 ( 4.426 5.339 -7.276) 10.052 11.320 ( -2.682 1.055 9.357) 9.791 11.394 ( -3.130 1.582 1.446) 3.794 11.596 ( -0.134 -3.265 -0.995) 3.416 11.621 ( 6.010 2.019 -8.645) 10.721 11.758 ( 0.592 1.827 1.956) 2.741 11.793 ( 1.976 1.488 0.516) 2.527 11.952 ( 0.731 -2.317 3.399) 4.178 12.144 ( 2.433 -3.566 -3.779) 5.738 12.218 ( -1.521 -0.724 0.080) 1.687 12.308 ( -2.928 -0.976 1.491) 3.427 12.365 ( -0.204 -0.175 1.798) 1.818 12.475 ( -0.682 -2.191 4.934) 5.442 12.578 ( 0.131 0.845 -1.855) 2.043 12.750 ( 7.195 -0.243 -4.613) 8.550 12.835 ( -2.928 -3.079 5.406) 6.876 12.923 ( -2.183 -4.716 -3.500) 6.265 13.122 ( -3.017 0.838 1.221) 3.361 13.278 ( -1.493 -5.316 -4.126) 6.893 13.414 ( 0.046 -2.454 -0.781) 2.576 13.498 ( 2.893 -0.870 3.457) 4.591 13.586 ( 2.827 -0.156 -1.051) 3.020 13.719 ( -0.016 -2.673 6.684) 7.199 13.757 ( 4.422 -1.227 0.063) 4.589 13.848 ( 4.314 1.738 -1.746) 4.968 14.197 ( -1.416 0.883 2.298) 2.840 14.344 ( 6.158 -5.843 1.850) 8.687 14.460 ( -1.321 5.982 -4.996) 7.905 14.597 ( -3.138 2.034 -3.221) 4.935 14.804 ( -0.462 -1.604 4.261) 4.576 15.034 ( 1.486 -4.142 -2.890) 5.265 15.255 ( -6.603 4.064 3.618) 8.556 15.712 ( -0.489 5.006 1.497) 5.247 16.004 ( -1.818 2.457 -1.762) 3.528 16.417 ( -5.693 1.368 -0.788) 5.908 16.853 ( -1.084 -7.708 5.136) 9.325 17.266 ( -0.226 -10.517 -6.917) 12.590 17.977 ( -2.558 0.715 6.118) 6.670 18.119 ( 2.830 2.037 -8.317) 9.018 20.566 ( 2.915 -1.278 3.053) 4.411 20.652 ( 3.385 -3.324 0.545) 4.776 21.141 ( -2.379 1.866 1.486) 3.369 21.213 ( -1.858 -0.660 -1.396) 2.416 21.357 ( 1.792 5.362 1.772) 5.925 21.457 ( 3.053 2.434 0.519) 3.939 21.635 ( -8.126 5.181 0.904) 9.679 21.750 ( -2.778 -1.555 -4.221) 5.287 21.879 ( -1.506 -1.067 2.233) 2.897 22.056 ( -0.467 1.737 -3.652) 4.071 22.200 ( 6.225 -1.955 4.203) 7.761 22.322 ( 2.507 -3.138 1.535) 4.300 22.586 ( -1.649 0.248 -6.381) 6.595 22.754 ( -0.661 1.009 -3.409) 3.616 22.800 ( -0.702 -2.097 -0.321) 2.234 22.999 ( -0.026 0.029 5.805) 5.806 23.276 ( 0.088 1.112 1.986) 2.277 23.336 ( -0.139 -3.990 -1.189) 4.166 23.423 ( 1.893 3.354 2.538) 4.613 23.463 ( -0.640 -3.533 0.009) 3.590 23.572 ( -1.618 0.159 -0.573) 1.724 23.634 ( 0.155 2.628 -0.273) 2.647 23.677 ( 3.081 -4.175 -0.375) 5.202 23.852 ( 6.294 4.071 -1.857) 7.722 24.240 ( -1.372 0.002 -0.285) 1.401 24.258 ( -0.650 0.022 -1.285) 1.440 24.499 ( -6.774 7.242 2.632) 10.260 24.686 ( -1.392 9.124 -5.764) 10.882 25.604 ( 0.135 -1.369 1.999) 2.427 25.616 ( 0.682 -1.177 -0.282) 1.389 ======================= Grid point 85 (48/52) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 0.095 9.598 14.764) 17.610 2.001 ( -1.810 9.750 11.195) 14.955 2.068 ( -0.387 2.530 1.888) 3.180 2.163 ( -2.900 -2.450 13.066) 13.607 2.232 ( 2.931 4.694 -7.134) 9.029 2.352 ( -0.105 -1.746 1.077) 2.054 2.393 ( 2.807 -0.624 0.567) 2.931 2.420 ( 1.125 -4.439 -4.880) 6.692 2.485 ( 2.014 2.264 2.396) 3.863 2.519 ( 3.659 4.145 -3.343) 6.461 2.574 ( 2.263 0.685 -6.120) 6.561 2.587 ( -2.176 1.131 -5.993) 6.475 2.732 ( 2.439 3.979 5.716) 7.380 2.809 ( 0.663 1.585 8.326) 8.501 2.853 ( -2.319 2.704 -3.860) 5.253 2.884 ( -1.808 -1.844 3.382) 4.255 2.940 ( -2.616 -1.205 -2.283) 3.675 3.064 ( -0.799 2.700 -7.719) 8.217 3.157 ( 9.403 9.719 2.662) 13.783 3.196 ( -7.290 6.944 -1.678) 10.207 3.355 ( 3.577 6.549 7.646) 10.684 3.446 ( 3.832 3.195 6.135) 7.908 3.474 ( 2.313 2.274 1.571) 3.604 3.519 ( 3.510 1.724 -0.123) 3.912 3.558 ( -8.437 -1.728 -3.365) 9.246 3.616 ( 0.571 -1.957 1.795) 2.717 3.740 ( -3.390 3.987 -6.016) 7.974 3.767 ( 0.322 -2.237 10.030) 10.281 3.832 ( -5.033 -2.919 -7.349) 9.373 3.929 ( 0.815 -1.377 -3.521) 3.867 4.083 ( 0.214 3.367 4.572) 5.682 4.229 ( -3.753 -1.619 6.194) 7.421 4.300 ( 6.091 3.177 -2.401) 7.277 4.322 ( 2.983 1.630 -10.253) 10.802 4.403 ( -0.983 0.575 -1.983) 2.287 4.414 ( -0.034 -2.514 -3.798) 4.555 4.514 ( -2.554 4.062 4.332) 6.465 4.533 ( 1.830 3.533 1.975) 4.442 4.661 ( 1.266 3.757 3.016) 4.981 4.751 ( 1.848 3.194 2.350) 4.375 4.777 ( 1.268 -3.484 -3.381) 5.018 4.796 ( -0.719 2.072 -2.356) 3.219 5.006 ( 2.282 -0.614 2.520) 3.454 5.016 ( 3.366 -1.144 -0.798) 3.643 5.088 ( -3.347 0.486 -0.781) 3.471 5.101 ( 1.805 1.492 0.181) 2.349 5.172 ( -1.210 -0.662 -6.022) 6.178 5.205 ( -8.805 -2.764 -10.988) 14.350 5.286 ( -0.290 0.811 5.569) 5.635 5.376 ( -2.938 2.332 -1.292) 3.967 5.593 ( -0.210 0.315 4.210) 4.227 5.704 ( 0.283 2.515 -5.960) 6.475 5.840 ( 0.105 0.160 1.113) 1.129 5.893 ( 1.198 -3.319 -3.018) 4.644 5.962 ( -1.637 -0.020 0.131) 1.642 6.000 ( 1.847 1.769 -3.316) 4.188 6.186 ( -4.348 -0.451 3.229) 5.435 6.249 ( 2.042 -0.713 -2.206) 3.089 6.441 ( -1.241 -0.581 4.900) 5.088 6.455 ( -1.810 -1.006 4.663) 5.102 6.620 ( 2.000 -2.412 3.786) 4.915 6.692 ( 0.880 -1.207 -0.473) 1.566 6.718 ( -3.497 -4.264 -1.262) 5.657 6.774 ( 1.415 -1.734 -3.767) 4.382 6.814 ( -1.009 -3.618 4.381) 5.771 7.002 ( 2.196 -0.683 -9.029) 9.317 7.670 ( -6.140 -1.377 4.840) 7.939 7.738 ( 3.005 -0.600 -0.809) 3.169 7.765 ( 1.155 -1.423 0.918) 2.050 7.791 ( 1.891 -0.886 -0.300) 2.109 7.972 ( -0.063 -1.545 -0.404) 1.598 7.990 ( 1.737 -2.551 -2.033) 3.696 8.024 ( -0.333 -0.740 0.835) 1.164 8.047 ( 3.695 -0.744 0.649) 3.825 8.245 ( -2.175 -1.043 -1.207) 2.697 8.280 ( -2.852 -3.707 -3.740) 5.988 8.526 ( 4.584 -0.360 4.276) 6.279 8.573 ( -4.423 -0.509 -0.507) 4.482 8.731 ( -0.191 1.246 4.524) 4.696 8.747 ( -0.300 0.472 2.741) 2.797 8.923 ( 9.273 -1.020 6.328) 11.272 9.009 ( -1.879 0.878 -4.811) 5.239 9.143 ( -2.998 3.172 7.637) 8.796 9.222 ( -5.181 0.511 5.874) 7.849 9.351 ( -1.204 1.915 0.572) 2.333 9.413 ( -0.284 -1.417 6.969) 7.118 9.488 ( -0.842 5.607 -6.979) 8.992 9.659 ( 3.793 -2.376 -17.243) 17.815 9.790 ( 3.068 0.325 1.405) 3.390 9.851 ( -1.982 0.607 -5.525) 5.901 10.094 ( 2.263 -0.194 4.731) 5.248 10.207 ( -0.029 1.000 -6.054) 6.136 10.542 ( -0.481 3.741 4.865) 6.156 10.657 ( 2.018 1.636 -5.365) 5.961 11.379 ( -2.119 1.720 6.928) 7.446 11.404 ( -1.210 0.620 7.435) 7.558 11.478 ( -2.139 -2.392 1.895) 3.727 11.680 ( 1.671 1.239 -10.145) 10.356 11.781 ( -0.415 -0.253 2.778) 2.821 11.871 ( 4.156 1.126 -5.624) 7.083 11.990 ( 0.066 0.260 4.080) 4.089 12.091 ( 0.864 -1.389 -4.291) 4.592 12.216 ( -6.252 -0.352 2.691) 6.816 12.261 ( 3.649 0.382 -0.975) 3.796 12.323 ( -0.322 -2.043 4.616) 5.058 12.465 ( 1.434 -0.851 -8.046) 8.217 12.656 ( 2.643 1.583 7.880) 8.460 12.735 ( -5.243 -0.735 3.840) 6.540 12.786 ( -3.555 -0.865 -3.045) 4.760 12.840 ( 7.835 -0.842 -5.290) 9.491 13.099 ( -2.407 0.360 1.386) 2.801 13.138 ( -0.066 -2.364 -2.416) 3.381 13.386 ( 1.091 -1.020 0.995) 1.795 13.413 ( -2.760 -2.846 -1.338) 4.184 13.608 ( -1.965 -0.461 1.673) 2.622 13.637 ( 1.171 -1.715 -1.250) 2.424 13.865 ( -3.195 -0.723 8.798) 9.388 14.009 ( 8.725 -0.109 -3.763) 9.502 14.247 ( -0.021 2.010 2.792) 3.441 14.293 ( -1.388 2.273 -1.668) 3.143 14.512 ( -7.706 -1.720 1.446) 8.027 14.565 ( 2.995 -1.391 -3.193) 4.593 14.758 ( 1.683 -0.774 2.692) 3.268 14.860 ( -2.716 -0.217 -6.879) 7.399 15.484 ( 11.279 3.351 9.931) 15.398 15.647 ( -10.406 1.691 -4.713) 11.548 16.123 ( 6.502 1.516 1.618) 6.870 16.199 ( -4.977 -2.934 -4.787) 7.502 16.834 ( -2.344 -1.979 11.898) 12.287 17.098 ( 3.060 -2.441 -12.774) 13.360 17.977 ( -4.213 0.519 7.799) 8.879 18.152 ( 3.529 0.853 -8.204) 8.971 20.599 ( 1.062 -1.324 2.327) 2.881 20.627 ( -0.157 -1.413 -0.602) 1.544 21.128 ( -2.464 0.157 2.736) 3.685 21.190 ( 2.910 0.157 -3.071) 4.234 21.533 ( 3.260 1.825 5.253) 6.446 21.597 ( 4.487 3.121 1.762) 5.743 21.621 ( -4.920 4.791 -1.613) 7.054 21.653 ( -2.037 -0.096 -4.187) 4.657 21.868 ( 0.919 -1.270 3.659) 3.981 21.979 ( -3.089 -2.238 -6.024) 7.130 22.242 ( -1.780 -3.243 5.191) 6.375 22.308 ( 5.751 -1.625 -0.187) 5.979 22.503 ( -9.000 -0.173 -1.582) 9.139 22.539 ( 1.184 -0.140 -5.792) 5.913 22.976 ( 2.352 2.921 4.760) 6.060 23.031 ( 1.012 -0.483 0.309) 1.163 23.243 ( 1.133 -2.061 0.574) 2.421 23.304 ( -1.290 -1.445 -4.275) 4.694 23.431 ( 1.555 -0.565 5.304) 5.556 23.527 ( -0.182 -0.003 -2.460) 2.467 23.542 ( 0.218 0.727 1.658) 1.823 23.595 ( -1.560 0.433 -2.355) 2.858 23.794 ( 4.624 1.089 6.768) 8.269 23.958 ( -0.703 2.073 -8.476) 8.754 24.216 ( 0.011 -0.137 0.315) 0.343 24.238 ( -0.660 0.189 -1.548) 1.694 24.590 ( -0.130 3.380 7.910) 8.603 24.744 ( -1.912 3.619 -6.892) 8.015 25.587 ( -0.602 -0.627 1.331) 1.589 25.605 ( 0.518 -0.589 -0.386) 0.874 ======================= Grid point 86 (49/52) ======================= q-point: ( 0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -2.641 7.752 2.261) 8.495 2.000 ( -3.398 5.311 7.555) 9.840 2.078 ( 1.680 5.629 -0.368) 5.886 2.200 ( -0.648 3.940 -3.512) 5.317 2.230 ( -5.273 0.322 7.246) 8.967 2.290 ( -2.409 2.856 1.926) 4.204 2.396 ( -2.072 4.225 -6.099) 7.704 2.427 ( 1.937 -2.369 -3.940) 4.988 2.462 ( -1.643 4.600 -2.140) 5.333 2.531 ( -1.503 1.108 -2.978) 3.515 2.539 ( 1.918 -2.427 -3.782) 4.886 2.622 ( 5.689 -2.572 -1.878) 6.520 2.733 ( -3.937 4.243 -2.564) 6.330 2.793 ( -1.677 -1.077 2.587) 3.266 2.846 ( -1.726 0.812 -2.430) 3.089 2.880 ( -1.547 0.346 4.173) 4.464 2.918 ( -0.840 -0.606 7.930) 7.998 2.976 ( -1.073 0.678 -8.025) 8.125 3.096 ( -2.397 5.762 1.361) 6.387 3.310 ( 3.274 4.391 -0.736) 5.526 3.391 ( -5.431 0.401 -1.063) 5.548 3.410 ( -1.631 3.413 -4.661) 6.002 3.486 ( 0.825 9.927 -5.585) 11.420 3.522 ( 3.387 3.309 1.548) 4.982 3.641 ( 5.483 -0.379 1.557) 5.712 3.705 ( 2.568 3.094 3.038) 5.039 3.718 ( 8.236 -1.429 1.871) 8.566 3.850 ( 2.992 -0.502 6.644) 7.304 3.862 ( 4.557 -1.851 6.670) 8.288 3.893 ( -0.394 -0.929 -6.256) 6.337 4.031 ( -10.323 -0.586 5.414) 11.671 4.179 ( 3.087 4.650 8.637) 10.283 4.231 ( -0.419 2.855 -10.162) 10.563 4.303 ( -5.405 -2.573 -10.584) 12.160 4.352 ( -2.273 0.411 3.758) 4.411 4.411 ( 1.233 3.640 -2.736) 4.717 4.543 ( -0.860 3.172 -2.878) 4.368 4.641 ( 2.540 2.886 0.049) 3.845 4.718 ( -2.744 3.352 -5.127) 6.712 4.759 ( 1.922 0.606 -0.085) 2.017 4.794 ( 3.370 1.959 3.083) 4.970 4.814 ( 2.533 0.179 -2.583) 3.622 4.897 ( -2.607 -1.507 4.590) 5.490 4.958 ( -3.175 -3.998 -1.958) 5.468 5.045 ( -5.499 2.315 0.455) 5.984 5.072 ( -2.357 -1.711 -0.844) 3.032 5.157 ( 3.696 2.075 0.136) 4.241 5.268 ( 7.696 -3.905 4.774) 9.862 5.337 ( -0.204 1.093 1.469) 1.842 5.366 ( 4.335 1.906 4.577) 6.586 5.606 ( -1.313 2.384 4.295) 5.085 5.681 ( 1.621 0.603 -6.034) 6.277 5.888 ( -0.023 -0.687 1.146) 1.336 5.896 ( -2.189 0.425 1.675) 2.789 5.927 ( 3.087 -1.011 -2.875) 4.338 5.972 ( -3.226 -2.674 -1.800) 4.560 6.139 ( -2.780 1.079 5.487) 6.244 6.289 ( 3.353 0.542 -0.601) 3.449 6.390 ( -2.625 -0.109 3.439) 4.327 6.525 ( 1.498 -2.243 1.771) 3.226 6.571 ( -5.827 -2.232 0.788) 6.290 6.652 ( -2.565 -2.840 3.888) 5.456 6.692 ( 0.619 -3.079 -2.491) 4.009 6.812 ( 2.101 -2.839 -4.813) 5.970 6.888 ( 3.298 -2.013 8.133) 9.004 7.059 ( 9.752 -0.483 -8.188) 12.743 7.600 ( -4.427 -2.292 4.002) 6.393 7.744 ( -1.002 0.803 1.190) 1.751 7.793 ( 0.395 -1.093 -1.251) 1.707 7.832 ( 3.036 -1.748 -2.678) 4.410 7.916 ( -5.045 -2.339 -0.506) 5.584 7.975 ( -5.268 0.645 -2.237) 5.759 8.000 ( 1.337 -2.379 -3.224) 4.223 8.068 ( 0.956 -1.035 -2.415) 2.796 8.182 ( -4.118 -2.306 1.378) 4.917 8.267 ( -0.283 -2.710 5.214) 5.883 8.433 ( -6.551 -0.857 -3.237) 7.358 8.602 ( 0.879 -0.101 3.075) 3.200 8.747 ( -0.552 0.103 -0.644) 0.854 8.781 ( 2.344 1.452 2.743) 3.889 8.954 ( 0.846 0.626 -5.082) 5.190 9.037 ( -1.806 0.010 -3.627) 4.052 9.193 ( -1.297 1.660 4.512) 4.979 9.217 ( -0.533 1.153 15.183) 15.236 9.369 ( 4.525 2.068 -1.353) 5.155 9.413 ( 0.044 4.766 -0.837) 4.839 9.480 ( 0.174 -2.411 3.484) 4.241 9.658 ( 7.769 0.699 -13.905) 15.943 9.746 ( -5.023 0.135 -2.006) 5.410 9.857 ( 3.387 -1.080 1.118) 3.726 10.144 ( -0.854 1.279 -7.070) 7.235 10.178 ( 2.877 0.842 2.348) 3.808 10.552 ( -1.760 2.559 2.730) 4.135 10.629 ( -0.496 2.586 -5.371) 5.982 11.394 ( 0.053 0.328 3.496) 3.512 11.426 ( -6.756 0.778 13.878) 15.455 11.482 ( 3.642 0.256 -2.402) 4.371 11.624 ( -0.177 -0.284 -7.737) 7.745 11.788 ( -0.323 -0.680 0.691) 1.022 11.893 ( 2.895 1.681 -6.252) 7.092 12.005 ( -1.361 -0.093 3.076) 3.364 12.027 ( -3.606 -0.188 -5.088) 6.239 12.157 ( -0.815 -1.079 2.586) 2.918 12.298 ( -0.439 -1.110 0.356) 1.245 12.356 ( -0.369 -0.247 6.350) 6.365 12.483 ( 6.240 -1.535 -6.879) 9.414 12.627 ( -6.442 0.026 3.105) 7.151 12.690 ( -2.453 0.314 -3.721) 4.467 12.802 ( 3.022 1.120 4.379) 5.438 12.933 ( 5.439 -0.967 -6.168) 8.280 13.086 ( 0.787 -1.121 3.364) 3.632 13.155 ( 2.638 -1.067 0.734) 2.938 13.366 ( -1.322 -0.552 0.712) 1.599 13.431 ( 1.656 -2.914 1.467) 3.659 13.558 ( -3.059 -1.898 2.027) 4.132 13.663 ( 0.076 -1.238 -0.643) 1.397 13.782 ( -8.732 -0.095 3.729) 9.495 13.994 ( -6.788 2.873 -9.871) 12.320 14.174 ( -5.289 -1.902 4.672) 7.308 14.245 ( -3.560 -3.857 -2.213) 5.697 14.485 ( 4.131 3.763 3.608) 6.652 14.592 ( 2.693 1.149 2.019) 3.557 14.834 ( 1.411 0.206 -1.690) 2.211 14.886 ( 5.027 -2.596 2.484) 6.179 15.441 ( -4.170 1.928 -5.381) 7.075 15.835 ( 16.804 2.691 7.510) 18.602 15.965 ( -9.339 0.269 -5.297) 10.740 16.384 ( 12.299 -1.191 0.489) 12.366 16.835 ( -5.910 0.096 9.939) 11.564 17.044 ( 0.994 -5.059 -12.226) 13.269 17.959 ( -4.281 0.680 9.461) 10.407 18.159 ( 3.525 0.736 -7.913) 8.694 20.589 ( -2.460 -0.828 -1.419) 2.958 20.599 ( -1.974 -1.558 0.465) 2.558 21.136 ( 0.983 0.042 2.419) 2.611 21.246 ( 4.713 0.216 -3.162) 5.680 21.512 ( -4.221 4.951 -2.071) 6.828 21.557 ( -2.365 1.666 -3.503) 4.543 21.646 ( 2.902 -0.217 3.211) 4.334 21.733 ( 6.851 2.404 0.781) 7.302 21.902 ( -0.949 -2.635 -3.767) 4.694 21.953 ( 3.785 -0.516 6.974) 7.951 22.205 ( -4.499 -2.049 0.073) 4.944 22.328 ( -1.062 -0.743 -4.362) 4.550 22.390 ( -3.533 -1.802 6.320) 7.461 22.619 ( 6.325 -0.030 4.215) 7.601 22.935 ( -4.433 4.073 -2.750) 6.619 23.090 ( 3.212 -1.499 -0.716) 3.616 23.228 ( -2.779 -3.848 -4.042) 6.234 23.273 ( -0.214 -1.446 2.200) 2.642 23.464 ( -0.825 1.648 -1.588) 2.433 23.509 ( 0.224 -1.239 0.501) 1.355 23.546 ( -0.874 0.803 -0.631) 1.344 23.583 ( 0.959 0.468 2.322) 2.555 23.817 ( -4.463 1.780 -10.056) 11.145 23.879 ( -0.801 1.618 3.179) 3.656 24.230 ( 0.866 0.176 -0.332) 0.944 24.242 ( 1.507 -0.136 0.897) 1.759 24.678 ( 1.767 3.878 6.062) 7.410 24.697 ( 2.186 2.772 -2.436) 4.289 25.582 ( -0.795 -0.544 1.057) 1.430 25.608 ( 0.226 -0.585 -0.644) 0.899 ======================= Grid point 87 (50/52) ======================= q-point: (-0.60 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -0.891 6.459 -6.060) 8.901 1.962 ( -7.869 7.564 0.493) 10.926 2.043 ( -6.737 6.091 -0.743) 9.112 2.113 ( 1.043 6.180 -2.968) 6.934 2.190 ( -2.757 1.710 5.087) 6.033 2.281 ( -4.139 -5.125 2.597) 7.081 2.297 ( -2.623 10.424 2.066) 10.946 2.434 ( -1.493 3.696 -0.977) 4.104 2.444 ( -2.900 -1.691 -1.247) 3.581 2.457 ( 5.408 3.008 -7.642) 9.833 2.551 ( -2.268 -4.745 -0.419) 5.276 2.613 ( 1.800 -2.669 -5.180) 6.099 2.764 ( 2.359 1.784 3.497) 4.580 2.794 ( -0.567 1.281 1.316) 1.922 2.831 ( 0.687 1.269 -4.001) 4.253 2.838 ( -0.135 -3.722 0.596) 3.772 2.952 ( -0.475 2.629 2.465) 3.635 2.965 ( 3.026 0.866 0.050) 3.148 3.086 ( -1.166 2.178 4.406) 5.051 3.264 ( -4.031 0.590 -3.830) 5.592 3.293 ( -3.474 1.435 -3.512) 5.144 3.311 ( -3.535 1.180 -1.062) 3.875 3.528 ( 3.089 7.781 -3.276) 8.990 3.602 ( 2.749 5.763 0.712) 6.425 3.650 ( -6.086 3.433 -1.730) 7.199 3.739 ( 7.452 -2.141 -2.515) 8.152 3.839 ( 2.328 2.309 2.971) 4.425 3.899 ( 2.066 -0.882 3.286) 3.980 3.956 ( 0.322 -2.196 4.542) 5.055 3.990 ( -1.547 4.307 1.319) 4.763 4.011 ( 3.358 2.490 2.737) 4.996 4.109 ( -0.655 2.904 -5.966) 6.668 4.247 ( 3.990 2.766 -2.799) 5.604 4.288 ( 2.970 1.062 -0.009) 3.154 4.361 ( 0.554 -0.960 -0.549) 1.237 4.428 ( -0.262 2.851 5.760) 6.432 4.470 ( -3.967 1.048 0.857) 4.192 4.560 ( -2.338 4.699 -0.633) 5.287 4.602 ( -0.999 -0.041 -4.651) 4.757 4.683 ( -4.354 -2.222 -5.623) 7.451 4.790 ( -1.036 2.155 -4.647) 5.226 4.855 ( -0.383 -1.175 2.848) 3.105 4.937 ( -5.095 -1.437 -3.404) 6.293 4.958 ( -4.833 -1.337 -2.150) 5.457 5.015 ( 3.617 0.378 8.009) 8.796 5.121 ( 9.516 -0.507 6.228) 11.384 5.230 ( -1.033 0.433 2.854) 3.066 5.353 ( 6.335 5.641 3.920) 9.344 5.457 ( 4.971 1.233 3.597) 6.258 5.515 ( 7.500 -0.527 -2.071) 7.798 5.574 ( -2.143 1.902 -0.050) 2.866 5.690 ( 4.739 -2.174 -2.539) 5.800 5.775 ( -9.042 -3.014 -1.529) 9.653 5.867 ( -5.564 0.939 0.301) 5.651 5.930 ( 0.688 -0.815 1.110) 1.539 5.959 ( 1.506 -2.187 -0.806) 2.775 6.223 ( 5.153 1.583 8.202) 9.815 6.342 ( 1.094 2.333 2.450) 3.556 6.407 ( 1.717 -0.939 1.634) 2.550 6.487 ( -3.875 -0.902 -0.474) 4.007 6.539 ( -1.015 -2.705 2.350) 3.724 6.614 ( -4.025 -3.068 5.628) 7.569 6.716 ( 0.247 -3.612 -1.340) 3.860 6.765 ( 0.857 -0.968 -9.682) 9.768 7.005 ( 1.484 -2.400 8.824) 9.264 7.184 ( 8.255 -1.023 -7.059) 10.910 7.584 ( 0.081 -2.452 3.968) 4.665 7.743 ( -0.894 0.885 0.743) 1.461 7.756 ( -2.893 -2.109 -1.863) 4.036 7.801 ( -2.340 -0.850 -4.011) 4.720 7.807 ( -5.571 -2.112 -0.552) 5.983 7.872 ( -0.171 -0.616 -4.472) 4.517 8.023 ( 2.329 -2.291 -1.226) 3.489 8.061 ( -0.636 -2.214 -1.605) 2.807 8.136 ( -0.794 -0.546 1.418) 1.714 8.223 ( -4.414 -2.819 -0.481) 5.260 8.431 ( 3.553 0.127 5.819) 6.819 8.617 ( -0.668 -0.857 1.053) 1.513 8.721 ( -1.428 0.081 -0.608) 1.554 8.808 ( -1.771 1.387 -1.596) 2.758 8.928 ( -5.220 2.095 2.269) 6.065 8.969 ( 2.356 -0.251 -4.635) 5.205 9.192 ( -2.944 1.522 2.857) 4.376 9.220 ( -1.296 -0.589 2.207) 2.626 9.442 ( 2.274 2.453 0.173) 3.350 9.467 ( -0.325 2.158 2.397) 3.241 9.501 ( 0.213 0.037 4.471) 4.476 9.660 ( 2.780 3.032 -7.181) 8.275 9.745 ( 5.268 -0.672 -1.486) 5.515 9.914 ( 0.487 -2.996 -2.986) 4.258 10.107 ( 4.408 2.288 -3.039) 5.822 10.227 ( 0.186 1.917 -0.047) 1.927 10.514 ( -3.113 0.771 0.493) 3.245 10.572 ( -1.267 2.152 -4.375) 5.037 11.383 ( -7.098 1.125 11.216) 13.321 11.426 ( 0.569 -0.416 2.114) 2.228 11.534 ( 3.501 1.043 -2.490) 4.421 11.587 ( 1.400 -0.083 -4.199) 4.427 11.784 ( -0.354 -0.159 0.462) 0.604 11.869 ( -2.204 2.742 -4.724) 5.890 11.953 ( 1.006 -1.261 -2.314) 2.821 11.986 ( -1.645 -0.848 -0.855) 2.039 12.215 ( 4.413 -1.084 2.143) 5.024 12.292 ( -0.043 -1.253 1.069) 1.648 12.394 ( -1.167 0.559 6.029) 6.166 12.473 ( -5.230 -0.476 -0.473) 5.273 12.595 ( 3.197 0.806 -2.737) 4.285 12.631 ( -0.296 -0.136 -4.281) 4.294 12.840 ( -2.145 0.790 4.373) 4.935 12.929 ( -0.253 -2.125 -3.596) 4.185 13.204 ( 8.196 -1.189 0.485) 8.296 13.243 ( 5.027 -0.795 1.393) 5.276 13.387 ( 2.423 2.429 2.806) 4.433 13.411 ( -2.585 -1.971 -0.678) 3.321 13.554 ( -8.817 4.497 -0.952) 9.943 13.587 ( 0.745 -4.922 5.496) 7.415 13.668 ( -6.135 -4.611 -1.400) 7.801 13.805 ( -3.870 -0.004 -2.339) 4.522 14.131 ( -1.733 -1.171 0.017) 2.091 14.174 ( -1.308 -3.316 -3.358) 4.897 14.626 ( 6.727 5.139 3.960) 9.346 14.693 ( 4.239 0.422 3.590) 5.571 14.820 ( -1.527 1.430 -0.799) 2.239 14.895 ( -4.467 -3.177 -0.341) 5.492 15.448 ( 5.914 0.979 0.707) 6.036 15.748 ( -9.111 0.821 -7.446) 11.795 16.187 ( 14.380 3.048 7.312) 16.417 16.512 ( -1.405 3.834 -1.403) 4.318 16.805 ( -3.541 -4.604 7.671) 9.622 16.972 ( 2.687 -6.564 -11.600) 13.597 17.961 ( -3.404 0.503 10.282) 10.842 18.163 ( 3.219 0.653 -8.077) 8.720 20.546 ( -0.598 -0.437 -1.229) 1.434 20.553 ( -2.540 -1.106 -0.223) 2.779 21.179 ( 1.131 0.145 2.771) 2.997 21.284 ( 1.522 0.434 -3.852) 4.164 21.442 ( -2.270 3.735 0.001) 4.371 21.497 ( -0.818 2.260 -3.956) 4.629 21.699 ( 0.573 -1.806 2.904) 3.468 21.795 ( 0.627 -1.530 -3.560) 3.925 21.935 ( 4.871 0.616 1.787) 5.225 22.040 ( -1.994 0.721 2.780) 3.496 22.159 ( 2.191 0.276 0.612) 2.292 22.269 ( -2.202 2.039 -2.265) 3.760 22.437 ( 1.466 -4.087 11.257) 12.065 22.757 ( 1.632 1.346 3.928) 4.461 22.838 ( 0.177 1.595 -4.269) 4.561 23.100 ( -1.723 -0.423 -8.883) 9.059 23.159 ( -0.547 -6.443 2.702) 7.008 23.256 ( -1.973 -1.217 -0.625) 2.401 23.443 ( -0.690 1.013 -0.674) 1.399 23.468 ( -1.762 1.366 -1.391) 2.628 23.570 ( 0.277 -0.475 2.303) 2.368 23.608 ( 0.525 0.064 0.820) 0.975 23.721 ( 1.579 1.586 -5.441) 5.883 23.822 ( -4.565 1.624 -1.930) 5.215 24.254 ( 1.222 0.201 0.441) 1.315 24.268 ( 0.499 -0.175 0.331) 0.623 24.736 ( 0.876 3.875 3.574) 5.344 24.755 ( 3.040 2.090 0.634) 3.743 25.577 ( -0.644 -0.349 1.192) 1.399 25.604 ( -0.038 -0.442 -0.883) 0.988 ======================= Grid point 88 (51/52) ======================= q-point: (-0.40 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -7.110 12.815 3.147) 14.990 1.939 ( 6.712 3.682 -0.499) 7.672 1.976 ( -5.257 7.958 9.735) 13.629 2.067 ( -1.890 1.244 -2.949) 3.717 2.198 ( -4.395 -0.548 8.957) 9.993 2.249 ( 1.673 -2.300 1.383) 3.162 2.297 ( -0.105 5.749 0.321) 5.759 2.389 ( -0.605 4.691 -0.172) 4.733 2.426 ( 1.340 0.919 -0.552) 1.716 2.505 ( 0.561 0.008 0.144) 0.579 2.531 ( 4.110 -1.762 -4.839) 6.589 2.633 ( -1.706 -0.620 -3.375) 3.833 2.716 ( 1.752 -1.497 1.406) 2.700 2.782 ( -4.600 -0.530 0.794) 4.698 2.852 ( -0.279 2.703 -0.432) 2.752 2.878 ( 2.909 -1.093 0.321) 3.124 2.957 ( 1.733 3.845 -2.705) 5.011 3.024 ( 2.766 2.642 -2.962) 4.838 3.132 ( 0.581 0.853 5.226) 5.327 3.185 ( 0.890 2.194 -2.256) 3.271 3.255 ( -1.425 1.659 0.944) 2.382 3.284 ( 2.251 -1.078 2.591) 3.598 3.463 ( -8.440 9.371 2.307) 12.820 3.548 ( 1.037 2.423 1.667) 3.119 3.708 ( -6.889 -1.023 -0.929) 7.026 3.758 ( -2.409 1.574 -5.630) 6.323 3.828 ( 5.829 5.160 1.474) 7.923 3.896 ( 2.258 2.981 1.717) 4.115 3.984 ( -0.412 -0.566 0.180) 0.722 4.020 ( -3.848 1.909 1.223) 4.466 4.061 ( -1.978 -0.600 -2.822) 3.497 4.085 ( 5.073 2.026 -1.658) 5.708 4.204 ( -4.083 0.803 -2.011) 4.621 4.332 ( 4.078 1.430 -2.295) 4.893 4.399 ( -3.231 1.787 -2.603) 4.518 4.435 ( -1.361 0.212 3.141) 3.430 4.456 ( 5.838 1.385 4.371) 7.423 4.541 ( -0.549 1.731 -3.820) 4.230 4.585 ( -3.209 1.909 -0.042) 3.734 4.667 ( 8.035 1.069 4.989) 9.518 4.751 ( -7.609 0.500 -6.748) 10.183 4.843 ( 4.060 0.893 1.032) 4.283 4.897 ( 4.391 -1.040 3.118) 5.486 4.922 ( 1.947 -5.235 -1.088) 5.690 5.079 ( -3.438 0.081 3.652) 5.016 5.180 ( -0.026 0.551 -6.710) 6.733 5.316 ( 0.193 1.584 11.314) 11.426 5.340 ( -6.774 4.843 3.833) 9.167 5.500 ( -0.325 0.541 -12.312) 12.328 5.533 ( -2.908 -3.605 -4.122) 6.201 5.619 ( 8.961 6.767 -1.002) 11.274 5.703 ( -8.719 0.475 -1.152) 8.807 5.763 ( 8.991 -1.740 -0.904) 9.202 5.847 ( 9.082 -4.501 0.968) 10.182 5.942 ( -1.066 0.489 0.381) 1.233 5.970 ( 0.403 -1.338 -1.576) 2.106 6.312 ( -3.881 1.682 2.094) 4.720 6.352 ( -1.534 1.261 0.517) 2.052 6.415 ( -3.309 -0.479 0.249) 3.353 6.451 ( 1.629 -1.815 2.885) 3.778 6.520 ( -4.585 -0.412 10.277) 11.261 6.630 ( -2.557 -2.937 -1.680) 4.241 6.636 ( 1.886 -3.361 2.979) 4.871 6.776 ( 4.674 -1.759 -8.571) 9.920 7.037 ( -4.697 -2.309 6.174) 8.093 7.211 ( 0.544 -1.495 -9.068) 9.206 7.662 ( -0.270 -1.935 -2.333) 3.043 7.678 ( 5.669 -2.212 4.466) 7.549 7.731 ( -3.220 -2.070 3.168) 4.969 7.751 ( -0.972 0.160 -0.234) 1.012 7.780 ( 0.526 -0.598 0.952) 1.241 7.869 ( 3.525 -1.239 -4.964) 6.213 8.031 ( -0.689 -1.822 -1.110) 2.242 8.052 ( 0.667 -3.118 -1.054) 3.358 8.160 ( 2.166 0.392 0.736) 2.321 8.213 ( 5.427 -2.724 -2.344) 6.509 8.541 ( 0.922 1.665 6.493) 6.767 8.582 ( -2.038 -1.537 -4.058) 4.794 8.701 ( -2.373 -0.084 5.426) 5.923 8.708 ( -5.216 -0.317 2.130) 5.643 8.868 ( -4.444 1.156 3.807) 5.965 9.001 ( 3.999 1.176 -4.453) 6.100 9.151 ( -2.851 0.400 3.774) 4.746 9.252 ( 2.534 0.797 1.381) 2.994 9.382 ( -6.514 2.371 3.994) 8.000 9.490 ( -4.236 0.454 3.266) 5.368 9.537 ( 5.256 1.019 -2.833) 6.057 9.692 ( 4.057 4.548 -5.416) 8.153 9.834 ( -0.710 -2.426 -1.728) 3.062 9.853 ( 4.760 -0.940 -6.081) 7.780 10.142 ( -6.342 0.569 -5.466) 8.392 10.220 ( 4.420 2.333 0.538) 5.026 10.482 ( -1.149 2.171 3.178) 4.017 10.556 ( 3.356 0.093 -2.950) 4.470 11.345 ( -5.203 1.456 10.531) 11.836 11.437 ( -1.149 -0.670 2.018) 2.417 11.552 ( -0.025 -1.531 -3.091) 3.450 11.624 ( 5.777 2.402 -4.273) 7.577 11.782 ( -1.317 0.792 2.476) 2.915 11.807 ( -0.355 1.862 -1.690) 2.539 11.935 ( -0.738 0.302 -2.271) 2.407 12.009 ( 4.552 -2.818 -2.129) 5.761 12.275 ( -1.922 -0.064 -2.870) 3.454 12.302 ( 2.175 -1.127 -0.235) 2.461 12.387 ( -3.678 1.165 5.897) 7.047 12.417 ( -1.109 -0.214 5.000) 5.126 12.619 ( 1.191 0.504 -3.963) 4.169 12.628 ( 4.215 -0.306 -4.097) 5.886 12.818 ( -3.679 -0.595 6.317) 7.335 12.903 ( -0.749 -1.949 -1.357) 2.491 13.250 ( -3.290 -0.882 -4.148) 5.367 13.283 ( -1.884 -0.408 -3.388) 3.898 13.398 ( 0.056 1.292 0.928) 1.592 13.437 ( 0.244 -0.833 -0.462) 0.983 13.527 ( 0.809 0.189 1.410) 1.637 13.546 ( 8.066 2.444 6.428) 10.600 13.706 ( 2.740 -5.119 6.030) 8.371 13.743 ( -2.043 -3.301 -5.066) 6.383 14.123 ( 0.999 -0.999 0.835) 1.641 14.171 ( 3.859 -1.589 -2.998) 5.139 14.674 ( -5.814 3.560 0.156) 6.819 14.734 ( -2.406 -0.797 0.433) 2.571 14.801 ( -0.648 2.211 0.228) 2.315 14.878 ( 6.802 -1.153 1.129) 6.991 15.513 ( -11.064 0.785 -5.639) 12.443 15.604 ( 7.357 0.334 5.777) 9.360 16.339 ( -11.550 6.349 -5.954) 14.462 16.437 ( 5.633 1.979 5.274) 7.967 16.732 ( -7.881 -7.848 7.327) 13.318 17.038 ( 10.175 -5.092 -10.715) 15.629 17.977 ( -2.856 0.314 9.461) 9.888 18.159 ( 2.939 0.707 -8.445) 8.970 20.521 ( -0.796 -0.531 0.918) 1.326 20.555 ( 2.041 -0.719 -0.380) 2.197 21.202 ( -1.487 0.482 3.379) 3.723 21.251 ( -1.338 0.299 -3.779) 4.020 21.427 ( -0.561 2.650 2.179) 3.477 21.475 ( 1.172 2.444 -2.462) 3.662 21.721 ( -0.569 -1.708 3.272) 3.735 21.765 ( -0.710 -1.652 -3.302) 3.760 21.965 ( -4.914 1.104 -0.773) 5.095 22.043 ( 5.004 0.458 1.820) 5.345 22.181 ( -3.101 2.304 1.044) 4.002 22.235 ( 0.489 -0.764 -1.530) 1.779 22.603 ( 6.214 -0.264 11.123) 12.744 22.691 ( -0.351 0.615 -10.336) 10.360 22.921 ( 1.042 -0.464 6.336) 6.438 22.939 ( -6.597 -2.609 -6.425) 9.571 23.213 ( 2.733 -2.001 1.906) 3.887 23.223 ( 0.686 -2.556 -2.250) 3.474 23.438 ( 0.240 1.232 0.947) 1.572 23.445 ( 0.110 0.098 -0.348) 0.378 23.580 ( -0.236 0.109 1.559) 1.580 23.613 ( -0.157 -0.238 -0.681) 0.739 23.723 ( -3.098 1.509 -2.731) 4.397 23.790 ( 6.816 1.555 -0.816) 7.038 24.261 ( -0.955 -0.041 -0.090) 0.960 24.273 ( 0.295 0.086 -0.157) 0.345 24.710 ( -5.305 2.895 2.832) 6.674 24.822 ( 3.260 2.881 -2.297) 4.920 25.578 ( -0.338 -0.295 1.564) 1.627 25.598 ( 0.103 -0.362 -0.771) 0.858 ======================= Grid point 89 (52/52) ======================= q-point: (-0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 1.257 11.531 11.113) 16.063 1.963 ( -4.941 10.492 14.729) 18.747 2.039 ( -0.364 -1.182 3.756) 3.954 2.126 ( 3.367 2.229 7.763) 8.750 2.188 ( 1.217 -3.333 5.671) 6.690 2.303 ( 1.260 3.998 0.624) 4.238 2.320 ( 2.794 0.755 -0.773) 2.995 2.416 ( 3.184 3.613 2.364) 5.364 2.444 ( -0.192 -1.392 0.766) 1.601 2.509 ( -0.812 -0.261 -3.323) 3.431 2.551 ( 3.600 2.187 -3.212) 5.297 2.620 ( 2.906 -2.891 -1.971) 4.549 2.682 ( -2.465 5.624 1.297) 6.276 2.810 ( -2.998 3.594 -1.299) 4.858 2.858 ( 5.276 -3.138 -0.757) 6.185 2.907 ( 3.310 0.339 -3.048) 4.512 2.935 ( 0.271 -1.023 -2.231) 2.469 3.031 ( -0.029 4.559 -0.705) 4.613 3.140 ( -1.524 9.671 -0.193) 9.793 3.255 ( 2.203 0.638 2.854) 3.662 3.294 ( 4.240 3.418 5.074) 7.444 3.342 ( -6.537 9.694 3.962) 12.345 3.371 ( 3.739 -1.059 2.810) 4.796 3.566 ( -5.263 -7.393 1.688) 9.230 3.611 ( 0.468 4.470 3.151) 5.489 3.673 ( -0.982 -0.051 -0.529) 1.117 3.815 ( -10.833 0.538 -4.887) 11.896 3.884 ( -5.174 4.531 -2.012) 7.166 3.935 ( 0.797 2.892 -1.271) 3.258 3.952 ( -5.350 -1.243 -2.137) 5.893 4.064 ( 6.296 0.620 9.687) 11.570 4.112 ( 0.302 2.650 -5.383) 6.008 4.195 ( 4.530 -1.859 -5.929) 7.690 4.346 ( 2.775 0.427 -5.998) 6.623 4.406 ( 2.950 2.779 0.908) 4.153 4.463 ( 0.929 -1.114 2.488) 2.880 4.498 ( -3.665 2.860 -7.195) 8.567 4.554 ( 1.777 5.523 5.274) 7.840 4.605 ( 2.949 3.636 3.192) 5.666 4.672 ( 3.101 -4.256 4.136) 6.696 4.795 ( -0.736 0.688 0.572) 1.159 4.840 ( -4.021 0.940 0.220) 4.136 4.956 ( -0.774 -3.188 -0.229) 3.288 4.997 ( 2.025 -3.054 -0.900) 3.773 5.034 ( 4.578 3.312 1.382) 5.817 5.111 ( -0.139 0.769 -7.553) 7.593 5.246 ( -2.582 3.026 3.034) 5.002 5.352 ( -6.442 -1.809 -1.168) 6.792 5.402 ( -1.551 -0.177 -12.542) 12.639 5.444 ( -1.912 0.197 -2.384) 3.062 5.565 ( -2.899 0.708 2.140) 3.672 5.738 ( 3.474 6.488 -5.287) 9.062 5.866 ( -0.709 1.347 1.728) 2.303 5.908 ( -0.910 -0.669 -1.450) 1.838 5.956 ( 0.943 -2.548 -3.314) 4.285 5.976 ( 4.150 -3.381 -1.445) 5.544 6.231 ( -1.756 1.104 -1.628) 2.637 6.271 ( -4.334 -1.492 -0.491) 4.610 6.386 ( -0.063 0.412 2.290) 2.327 6.511 ( -4.210 -1.177 6.811) 8.093 6.526 ( 2.053 -3.377 6.887) 7.940 6.623 ( 3.915 0.830 -2.749) 4.855 6.716 ( 0.978 -3.270 6.786) 7.596 6.787 ( 3.123 -2.568 -8.091) 9.045 6.925 ( -9.663 -2.500 2.274) 10.237 7.099 ( -3.627 -1.720 -9.746) 10.540 7.674 ( 3.895 -2.106 -2.901) 5.294 7.724 ( -2.715 -1.238 5.975) 6.679 7.753 ( 0.543 0.031 0.234) 0.592 7.768 ( -1.262 -2.017 1.354) 2.738 7.876 ( 8.890 -0.866 6.309) 10.936 7.921 ( 4.160 -0.959 -1.258) 4.450 8.010 ( 0.079 -2.099 -2.882) 3.566 8.039 ( -0.872 -2.853 -0.326) 3.001 8.243 ( 5.422 1.354 -4.385) 7.104 8.348 ( 8.321 -3.509 1.452) 9.147 8.417 ( -5.949 -1.145 -4.540) 7.570 8.612 ( -0.371 -0.153 1.744) 1.790 8.689 ( -0.561 1.551 6.095) 6.315 8.728 ( -0.722 -1.120 7.413) 7.532 8.819 ( -3.678 -0.222 6.664) 7.615 9.036 ( 2.632 0.793 -4.156) 4.983 9.143 ( -1.675 2.741 4.512) 5.538 9.293 ( -6.539 2.469 5.469) 8.875 9.327 ( 2.539 0.823 4.172) 4.953 9.418 ( -5.120 -0.371 3.068) 5.980 9.563 ( -0.002 3.912 -6.339) 7.449 9.720 ( 4.679 0.721 -6.663) 8.173 9.761 ( -1.056 -2.018 -10.059) 10.313 9.896 ( 0.231 0.466 -3.191) 3.233 10.038 ( 0.432 -1.112 0.386) 1.254 10.242 ( 0.034 1.920 -3.057) 3.610 10.508 ( -0.093 3.830 5.274) 6.519 10.624 ( 4.905 0.225 -3.372) 5.957 11.350 ( -2.752 1.600 10.484) 10.957 11.413 ( -2.853 0.510 2.967) 4.148 11.513 ( -2.332 -3.284 0.045) 4.028 11.691 ( 5.431 2.739 -8.931) 10.805 11.773 ( -1.768 0.293 3.934) 4.323 11.827 ( 3.670 0.898 -3.161) 4.926 11.944 ( 1.903 0.745 1.469) 2.517 12.073 ( 3.587 -2.569 -2.468) 5.056 12.221 ( 0.280 0.744 -3.011) 3.115 12.298 ( -1.816 -0.258 0.161) 1.841 12.339 ( -5.503 -1.364 5.004) 7.563 12.467 ( 2.756 0.567 0.160) 2.819 12.596 ( -0.773 0.720 0.384) 1.124 12.723 ( 7.985 -1.049 -4.203) 9.084 12.796 ( -4.458 -1.778 6.668) 8.216 12.866 ( -2.713 -0.668 -1.079) 2.995 13.151 ( -3.172 1.127 -2.897) 4.442 13.190 ( -3.175 -2.405 -3.212) 5.117 13.385 ( -1.104 -0.058 -1.018) 1.503 13.443 ( 0.898 -2.572 0.042) 2.724 13.608 ( 0.996 1.201 2.010) 2.544 13.659 ( -1.710 -2.531 -3.810) 4.884 13.762 ( 6.779 1.882 8.667) 11.163 13.831 ( 8.582 -2.900 2.102) 9.299 14.180 ( 3.170 -0.923 2.852) 4.362 14.259 ( 6.684 -1.972 -2.603) 7.439 14.566 ( -2.635 3.222 -3.986) 5.763 14.628 ( -5.506 0.562 -1.248) 5.674 14.794 ( -3.532 0.105 1.971) 4.046 14.982 ( 1.189 -1.111 -4.990) 5.249 15.321 ( -4.158 1.851 4.562) 6.444 15.768 ( 2.254 0.733 7.260) 7.637 16.078 ( -6.853 3.321 -9.128) 11.888 16.393 ( -9.626 -2.294 -0.134) 9.896 16.755 ( 1.100 -1.868 10.661) 10.879 17.109 ( 5.834 -4.060 -11.347) 13.390 17.988 ( -3.032 0.278 7.844) 8.414 18.151 ( 3.127 0.861 -8.555) 9.149 20.545 ( 1.810 -0.583 2.664) 3.273 20.602 ( 2.618 -1.270 -0.010) 2.910 21.171 ( -3.623 0.878 2.609) 4.551 21.200 ( -1.364 -0.510 -2.516) 2.907 21.454 ( 1.428 2.918 3.634) 4.874 21.509 ( 3.384 2.110 0.182) 3.992 21.712 ( -3.549 0.928 1.971) 4.164 21.719 ( -1.750 -0.884 -2.879) 3.483 21.873 ( -3.058 0.934 -0.755) 3.286 22.091 ( -3.789 1.565 -5.181) 6.607 22.168 ( 6.044 -0.620 3.006) 6.779 22.236 ( -0.857 -4.243 3.410) 5.511 22.595 ( 0.111 0.457 -11.469) 11.478 22.718 ( -9.667 -1.667 -5.809) 11.401 22.823 ( 7.419 1.817 7.819) 10.931 23.001 ( 0.408 -0.137 6.723) 6.737 23.225 ( 1.742 -3.570 -2.481) 4.683 23.294 ( 3.345 -0.181 1.484) 3.664 23.420 ( -2.317 -0.591 0.503) 2.444 23.481 ( 2.022 1.443 2.294) 3.381 23.583 ( -1.191 0.315 -1.749) 2.140 23.617 ( 1.457 -1.129 -0.190) 1.853 23.684 ( 1.015 1.368 1.573) 2.319 23.924 ( 7.096 2.055 -1.684) 7.577 24.235 ( -1.262 -0.196 -0.691) 1.452 24.264 ( -0.751 0.256 -0.992) 1.270 24.613 ( -6.252 3.035 3.383) 7.729 24.820 ( -0.494 3.348 -5.261) 6.255 25.584 ( -0.312 -0.485 1.641) 1.740 25.598 ( 0.439 -0.462 -0.464) 0.789 =================== 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 3/28350 10.0 1338.237 1162.626 1013.776 0.000 230.195 0.000 3/28350 20.0 207.862 300.879 244.791 0.000 42.113 0.000 3/28350 30.0 76.130 124.033 92.519 0.000 13.823 0.000 3/28350 40.0 40.122 67.344 48.891 0.000 6.838 0.000 3/28350 50.0 25.751 43.589 31.331 0.000 4.258 0.000 3/28350 60.0 18.536 31.411 22.510 0.000 3.014 0.000 3/28350 70.0 14.332 24.246 17.378 0.000 2.304 0.000 3/28350 80.0 11.622 19.609 14.077 0.000 1.850 0.000 3/28350 90.0 9.747 16.395 11.797 0.000 1.537 0.000 3/28350 100.0 8.379 14.052 10.137 0.000 1.310 0.000 3/28350 110.0 7.342 12.277 8.878 0.000 1.139 0.000 3/28350 120.0 6.531 10.890 7.895 0.000 1.005 0.000 3/28350 130.0 5.881 9.779 7.106 0.000 0.898 0.000 3/28350 140.0 5.348 8.871 6.460 0.000 0.811 0.000 3/28350 150.0 4.905 8.116 5.922 0.000 0.739 0.000 3/28350 160.0 4.531 7.479 5.467 0.000 0.679 0.000 3/28350 170.0 4.211 6.935 5.078 0.000 0.628 0.000 3/28350 180.0 3.934 6.464 4.741 0.000 0.583 0.000 3/28350 190.0 3.692 6.054 4.447 0.000 0.545 0.000 3/28350 200.0 3.479 5.693 4.188 0.000 0.512 0.000 3/28350 210.0 3.290 5.374 3.958 0.000 0.482 0.000 3/28350 220.0 3.121 5.088 3.752 0.000 0.456 0.000 3/28350 230.0 2.969 4.832 3.568 0.000 0.432 0.000 3/28350 240.0 2.831 4.601 3.401 0.000 0.411 0.000 3/28350 250.0 2.706 4.391 3.249 0.000 0.392 0.000 3/28350 260.0 2.592 4.200 3.110 0.000 0.375 0.000 3/28350 270.0 2.488 4.025 2.984 0.000 0.359 0.000 3/28350 280.0 2.392 3.865 2.867 0.000 0.344 0.000 3/28350 290.0 2.303 3.717 2.759 0.000 0.331 0.000 3/28350 300.0 2.221 3.580 2.660 0.000 0.319 0.000 3/28350 310.0 2.145 3.453 2.567 0.000 0.307 0.000 3/28350 320.0 2.073 3.335 2.481 0.000 0.297 0.000 3/28350 330.0 2.007 3.225 2.401 0.000 0.287 0.000 3/28350 340.0 1.945 3.122 2.325 0.000 0.278 0.000 3/28350 350.0 1.886 3.025 2.255 0.000 0.269 0.000 3/28350 360.0 1.831 2.935 2.189 0.000 0.261 0.000 3/28350 370.0 1.780 2.850 2.126 0.000 0.253 0.000 3/28350 380.0 1.731 2.769 2.067 0.000 0.246 0.000 3/28350 390.0 1.685 2.694 2.012 0.000 0.240 0.000 3/28350 400.0 1.641 2.622 1.959 0.000 0.233 0.000 3/28350 410.0 1.599 2.554 1.909 0.000 0.227 0.000 3/28350 420.0 1.560 2.490 1.862 0.000 0.221 0.000 3/28350 430.0 1.523 2.428 1.816 0.000 0.216 0.000 3/28350 440.0 1.487 2.370 1.774 0.000 0.211 0.000 3/28350 450.0 1.453 2.315 1.733 0.000 0.206 0.000 3/28350 460.0 1.421 2.262 1.694 0.000 0.201 0.000 3/28350 470.0 1.389 2.212 1.656 0.000 0.197 0.000 3/28350 480.0 1.360 2.163 1.621 0.000 0.192 0.000 3/28350 490.0 1.331 2.117 1.587 0.000 0.188 0.000 3/28350 500.0 1.304 2.073 1.554 0.000 0.184 0.000 3/28350 510.0 1.278 2.031 1.523 0.000 0.181 0.000 3/28350 520.0 1.253 1.990 1.493 0.000 0.177 0.000 3/28350 530.0 1.229 1.951 1.464 0.000 0.174 0.000 3/28350 540.0 1.206 1.914 1.436 0.000 0.170 0.000 3/28350 550.0 1.183 1.878 1.409 0.000 0.167 0.000 3/28350 560.0 1.162 1.843 1.383 0.000 0.164 0.000 3/28350 570.0 1.141 1.810 1.358 0.000 0.161 0.000 3/28350 580.0 1.121 1.777 1.335 0.000 0.158 0.000 3/28350 590.0 1.102 1.746 1.311 0.000 0.155 0.000 3/28350 600.0 1.083 1.716 1.289 0.000 0.153 0.000 3/28350 610.0 1.065 1.687 1.268 0.000 0.150 0.000 3/28350 620.0 1.048 1.659 1.247 0.000 0.148 0.000 3/28350 630.0 1.031 1.632 1.227 0.000 0.145 0.000 3/28350 640.0 1.015 1.606 1.207 0.000 0.143 0.000 3/28350 650.0 0.999 1.581 1.188 0.000 0.141 0.000 3/28350 660.0 0.983 1.556 1.170 0.000 0.139 0.000 3/28350 670.0 0.969 1.532 1.152 0.000 0.136 0.000 3/28350 680.0 0.954 1.509 1.135 0.000 0.134 0.000 3/28350 690.0 0.940 1.487 1.118 0.000 0.132 0.000 3/28350 700.0 0.927 1.465 1.102 0.000 0.130 0.000 3/28350 710.0 0.913 1.444 1.086 0.000 0.129 0.000 3/28350 720.0 0.901 1.424 1.071 0.000 0.127 0.000 3/28350 730.0 0.888 1.404 1.056 0.000 0.125 0.000 3/28350 740.0 0.876 1.384 1.042 0.000 0.123 0.000 3/28350 750.0 0.864 1.366 1.028 0.000 0.122 0.000 3/28350 760.0 0.853 1.347 1.014 0.000 0.120 0.000 3/28350 770.0 0.842 1.329 1.001 0.000 0.118 0.000 3/28350 780.0 0.831 1.312 0.988 0.000 0.117 0.000 3/28350 790.0 0.820 1.295 0.975 0.000 0.115 0.000 3/28350 800.0 0.810 1.279 0.963 0.000 0.114 0.000 3/28350 810.0 0.800 1.263 0.951 0.000 0.112 0.000 3/28350 820.0 0.790 1.247 0.939 0.000 0.111 0.000 3/28350 830.0 0.780 1.232 0.927 0.000 0.110 0.000 3/28350 840.0 0.771 1.217 0.916 0.000 0.108 0.000 3/28350 850.0 0.762 1.202 0.905 0.000 0.107 0.000 3/28350 860.0 0.753 1.188 0.895 0.000 0.106 0.000 3/28350 870.0 0.744 1.174 0.884 0.000 0.105 0.000 3/28350 880.0 0.736 1.161 0.874 0.000 0.103 0.000 3/28350 890.0 0.727 1.147 0.864 0.000 0.102 0.000 3/28350 900.0 0.719 1.135 0.855 0.000 0.101 0.000 3/28350 910.0 0.711 1.122 0.845 0.000 0.100 0.000 3/28350 920.0 0.704 1.110 0.836 0.000 0.099 0.000 3/28350 930.0 0.696 1.097 0.827 0.000 0.098 0.000 3/28350 940.0 0.689 1.086 0.818 0.000 0.097 0.000 3/28350 950.0 0.681 1.074 0.809 0.000 0.096 0.000 3/28350 960.0 0.674 1.063 0.801 0.000 0.095 0.000 3/28350 970.0 0.667 1.052 0.793 0.000 0.094 0.000 3/28350 980.0 0.660 1.041 0.784 0.000 0.093 0.000 3/28350 990.0 0.654 1.030 0.776 0.000 0.092 0.000 3/28350 1000.0 0.647 1.020 0.769 0.000 0.091 0.000 3/28350 Thermal conductivity related properties were written into "kappa-m575.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:20:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|