----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:07:04]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.024144830172332 0.000000000000000 0.000000000000000 b 0.000000000000000 6.833990390000002 0.000000000000000 c -1.815958966507889 0.000000000000000 6.411483672906811 Atomic positions (fractional): *1 Y 0.87417626879417 0.36075437222436 0.05750251722734 88.906 2 Y 0.12582373120583 0.63924562777564 0.94249748277266 88.906 3 Y 0.12582373120583 0.86075437222436 0.44249748277266 88.906 4 Y 0.87417626879417 0.13924562777564 0.55750251722734 88.906 *5 Y 0.47239865162430 0.87476754017900 0.26772570071045 88.906 6 Y 0.52760134837570 0.37476754017900 0.23227429928955 88.906 7 Y 0.47239865162430 0.62523245982100 0.76772570071045 88.906 8 Y 0.52760134837570 0.12523245982100 0.73227429928955 88.906 *9 Si 0.79944078586051 0.58937129397520 0.52605297425039 28.085 10 Si 0.20055921413949 0.08937129397520 0.97394702574961 28.085 11 Si 0.20055921413949 0.41062870602480 0.47394702574961 28.085 12 Si 0.79944078586051 0.91062870602480 0.02605297425039 28.085 *13 O 0.61341766165300 0.11846365782419 0.43882106982317 15.999 *14 O 0.61355815558285 0.86456255734289 0.99104961255613 15.999 *15 O 0.79114909189274 0.42722734334375 0.33696749765461 15.999 *16 O 0.10464732886231 0.28540753652040 0.98250992870110 15.999 17 O 0.38658233834700 0.88153634217581 0.56117893017682 15.999 *18 O 0.12388294033608 0.94887218532313 0.77410147875406 15.999 19 O 0.38658233834700 0.61846365782419 0.06117893017682 15.999 20 O 0.20885090810726 0.57277265665626 0.66303250234539 15.999 21 O 0.89535267113769 0.78540753652039 0.51749007129890 15.999 22 O 0.89535267113769 0.71459246347961 0.01749007129889 15.999 23 O 0.87611705966392 0.44887218532313 0.72589852124594 15.999 24 O 0.79114909189274 0.07277265665626 0.83696749765461 15.999 25 O 0.61341766165300 0.38153634217581 0.93882106982318 15.999 26 O 0.87611705966392 0.05112781467687 0.22589852124594 15.999 27 O 0.20885090810726 0.92722734334374 0.16303250234539 15.999 28 O 0.61355815558285 0.63543744265711 0.49104961255613 15.999 29 O 0.38644184441715 0.36456255734289 0.50895038744387 15.999 30 O 0.10464732886231 0.21459246347961 0.48250992870110 15.999 31 O 0.38644184441715 0.13543744265711 0.00895038744387 15.999 32 O 0.12388294033608 0.55112781467687 0.27410147875406 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.024144830172332 0.000000000000000 0.000000000000000 b 0.000000000000000 6.833990390000002 0.000000000000000 c -1.815958966507889 0.000000000000000 6.411483672906811 Atomic positions (fractional): *1 Y 0.87417626879417 0.36075437222436 0.05750251722734 88.906 > 1 2 Y 0.12582373120583 0.63924562777564 0.94249748277266 88.906 > 2 3 Y 0.12582373120583 0.86075437222436 0.44249748277266 88.906 > 3 4 Y 0.87417626879417 0.13924562777564 0.55750251722734 88.906 > 4 *5 Y 0.47239865162430 0.87476754017900 0.26772570071045 88.906 > 5 6 Y 0.52760134837570 0.37476754017900 0.23227429928955 88.906 > 6 7 Y 0.47239865162430 0.62523245982100 0.76772570071045 88.906 > 7 8 Y 0.52760134837570 0.12523245982100 0.73227429928955 88.906 > 8 *9 Si 0.79944078586051 0.58937129397520 0.52605297425039 28.085 > 9 10 Si 0.20055921413949 0.08937129397520 0.97394702574961 28.085 > 10 11 Si 0.20055921413949 0.41062870602480 0.47394702574961 28.085 > 11 12 Si 0.79944078586051 0.91062870602480 0.02605297425039 28.085 > 12 *13 O 0.61341766165300 0.11846365782419 0.43882106982317 15.999 > 13 *14 O 0.61355815558285 0.86456255734289 0.99104961255613 15.999 > 14 *15 O 0.79114909189274 0.42722734334375 0.33696749765461 15.999 > 15 *16 O 0.10464732886231 0.28540753652040 0.98250992870110 15.999 > 16 17 O 0.38658233834700 0.88153634217581 0.56117893017682 15.999 > 17 *18 O 0.12388294033608 0.94887218532313 0.77410147875406 15.999 > 18 19 O 0.38658233834700 0.61846365782419 0.06117893017682 15.999 > 19 20 O 0.20885090810726 0.57277265665626 0.66303250234539 15.999 > 20 21 O 0.89535267113769 0.78540753652039 0.51749007129890 15.999 > 21 22 O 0.89535267113769 0.71459246347961 0.01749007129889 15.999 > 22 23 O 0.87611705966392 0.44887218532313 0.72589852124594 15.999 > 23 24 O 0.79114909189274 0.07277265665626 0.83696749765461 15.999 > 24 25 O 0.61341766165300 0.38153634217581 0.93882106982318 15.999 > 25 26 O 0.87611705966392 0.05112781467687 0.22589852124594 15.999 > 26 27 O 0.20885090810726 0.92722734334374 0.16303250234539 15.999 > 27 28 O 0.61355815558285 0.63543744265711 0.49104961255613 15.999 > 28 29 O 0.38644184441715 0.36456255734289 0.50895038744387 15.999 > 29 30 O 0.10464732886231 0.21459246347961 0.48250992870110 15.999 > 30 31 O 0.38644184441715 0.13543744265711 0.00895038744387 15.999 > 31 32 O 0.12388294033608 0.55112781467687 0.27410147875406 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.024144830172332 0.000000000000000 0.000000000000000 b 0.000000000000000 13.667980780000004 0.000000000000000 c -3.631917933015778 0.000000000000000 12.822967345813622 Atomic positions (fractional): *1 Y 0.87417626879417 0.18037718611218 0.02875125861367 88.906 > 1 2 Y 0.87417626879417 0.68037718611218 0.02875125861367 88.906 > 1 3 Y 0.87417626879417 0.18037718611218 0.52875125861367 88.906 > 1 4 Y 0.87417626879417 0.68037718611218 0.52875125861367 88.906 > 1 5 Y 0.12582373120583 0.31962281388782 0.47124874138633 88.906 > 2 6 Y 0.12582373120583 0.81962281388782 0.47124874138633 88.906 > 2 7 Y 0.12582373120583 0.31962281388782 0.97124874138633 88.906 > 2 8 Y 0.12582373120583 0.81962281388782 0.97124874138633 88.906 > 2 9 Y 0.12582373120583 0.43037718611218 0.22124874138633 88.906 > 3 10 Y 0.12582373120583 0.93037718611218 0.22124874138633 88.906 > 3 11 Y 0.12582373120583 0.43037718611218 0.72124874138633 88.906 > 3 12 Y 0.12582373120583 0.93037718611218 0.72124874138633 88.906 > 3 13 Y 0.87417626879417 0.06962281388782 0.27875125861367 88.906 > 4 14 Y 0.87417626879417 0.56962281388782 0.27875125861367 88.906 > 4 15 Y 0.87417626879417 0.06962281388782 0.77875125861367 88.906 > 4 16 Y 0.87417626879417 0.56962281388782 0.77875125861367 88.906 > 4 *17 Y 0.47239865162430 0.43738377008950 0.13386285035523 88.906 > 5 18 Y 0.47239865162430 0.93738377008950 0.13386285035523 88.906 > 5 19 Y 0.47239865162430 0.43738377008950 0.63386285035523 88.906 > 5 20 Y 0.47239865162430 0.93738377008950 0.63386285035523 88.906 > 5 21 Y 0.52760134837570 0.18738377008950 0.11613714964477 88.906 > 6 22 Y 0.52760134837570 0.68738377008950 0.11613714964477 88.906 > 6 23 Y 0.52760134837570 0.18738377008950 0.61613714964477 88.906 > 6 24 Y 0.52760134837570 0.68738377008950 0.61613714964477 88.906 > 6 25 Y 0.47239865162430 0.31261622991050 0.38386285035523 88.906 > 7 26 Y 0.47239865162430 0.81261622991050 0.38386285035523 88.906 > 7 27 Y 0.47239865162430 0.31261622991050 0.88386285035523 88.906 > 7 28 Y 0.47239865162430 0.81261622991050 0.88386285035523 88.906 > 7 29 Y 0.52760134837570 0.06261622991050 0.36613714964477 88.906 > 8 30 Y 0.52760134837570 0.56261622991050 0.36613714964477 88.906 > 8 31 Y 0.52760134837570 0.06261622991050 0.86613714964477 88.906 > 8 32 Y 0.52760134837570 0.56261622991050 0.86613714964477 88.906 > 8 *33 Si 0.79944078586051 0.29468564698760 0.26302648712519 28.085 > 9 34 Si 0.79944078586051 0.79468564698760 0.26302648712519 28.085 > 9 35 Si 0.79944078586051 0.29468564698760 0.76302648712520 28.085 > 9 36 Si 0.79944078586051 0.79468564698760 0.76302648712520 28.085 > 9 37 Si 0.20055921413949 0.04468564698760 0.48697351287481 28.085 > 10 38 Si 0.20055921413949 0.54468564698760 0.48697351287481 28.085 > 10 39 Si 0.20055921413949 0.04468564698760 0.98697351287480 28.085 > 10 40 Si 0.20055921413949 0.54468564698760 0.98697351287480 28.085 > 10 41 Si 0.20055921413949 0.20531435301240 0.23697351287481 28.085 > 11 42 Si 0.20055921413949 0.70531435301240 0.23697351287481 28.085 > 11 43 Si 0.20055921413949 0.20531435301240 0.73697351287480 28.085 > 11 44 Si 0.20055921413949 0.70531435301240 0.73697351287480 28.085 > 11 45 Si 0.79944078586051 0.45531435301240 0.01302648712519 28.085 > 12 46 Si 0.79944078586051 0.95531435301240 0.01302648712519 28.085 > 12 47 Si 0.79944078586051 0.45531435301240 0.51302648712520 28.085 > 12 48 Si 0.79944078586051 0.95531435301240 0.51302648712520 28.085 > 12 *49 O 0.61341766165300 0.05923182891209 0.21941053491159 15.999 > 13 50 O 0.61341766165300 0.55923182891209 0.21941053491159 15.999 > 13 51 O 0.61341766165300 0.05923182891209 0.71941053491159 15.999 > 13 52 O 0.61341766165300 0.55923182891209 0.71941053491159 15.999 > 13 *53 O 0.61355815558285 0.43228127867145 0.49552480627806 15.999 > 14 54 O 0.61355815558285 0.93228127867145 0.49552480627806 15.999 > 14 55 O 0.61355815558285 0.43228127867145 0.99552480627806 15.999 > 14 56 O 0.61355815558285 0.93228127867145 0.99552480627806 15.999 > 14 *57 O 0.79114909189274 0.21361367167187 0.16848374882731 15.999 > 15 58 O 0.79114909189274 0.71361367167187 0.16848374882731 15.999 > 15 59 O 0.79114909189274 0.21361367167187 0.66848374882731 15.999 > 15 60 O 0.79114909189274 0.71361367167187 0.66848374882731 15.999 > 15 *61 O 0.10464732886231 0.14270376826020 0.49125496435055 15.999 > 16 62 O 0.10464732886231 0.64270376826020 0.49125496435055 15.999 > 16 63 O 0.10464732886231 0.14270376826020 0.99125496435055 15.999 > 16 64 O 0.10464732886231 0.64270376826020 0.99125496435055 15.999 > 16 65 O 0.38658233834700 0.44076817108791 0.28058946508841 15.999 > 17 66 O 0.38658233834700 0.94076817108791 0.28058946508841 15.999 > 17 67 O 0.38658233834700 0.44076817108791 0.78058946508841 15.999 > 17 68 O 0.38658233834700 0.94076817108791 0.78058946508841 15.999 > 17 *69 O 0.12388294033608 0.47443609266157 0.38705073937703 15.999 > 18 70 O 0.12388294033608 0.97443609266157 0.38705073937703 15.999 > 18 71 O 0.12388294033608 0.47443609266157 0.88705073937703 15.999 > 18 72 O 0.12388294033608 0.97443609266157 0.88705073937703 15.999 > 18 73 O 0.38658233834700 0.30923182891209 0.03058946508841 15.999 > 19 74 O 0.38658233834700 0.80923182891209 0.03058946508841 15.999 > 19 75 O 0.38658233834700 0.30923182891209 0.53058946508841 15.999 > 19 76 O 0.38658233834700 0.80923182891209 0.53058946508841 15.999 > 19 77 O 0.20885090810726 0.28638632832813 0.33151625117269 15.999 > 20 78 O 0.20885090810726 0.78638632832813 0.33151625117269 15.999 > 20 79 O 0.20885090810726 0.28638632832813 0.83151625117269 15.999 > 20 80 O 0.20885090810726 0.78638632832813 0.83151625117269 15.999 > 20 81 O 0.89535267113769 0.39270376826020 0.25874503564945 15.999 > 21 82 O 0.89535267113769 0.89270376826020 0.25874503564945 15.999 > 21 83 O 0.89535267113769 0.39270376826020 0.75874503564945 15.999 > 21 84 O 0.89535267113769 0.89270376826020 0.75874503564945 15.999 > 21 85 O 0.89535267113769 0.35729623173980 0.00874503564945 15.999 > 22 86 O 0.89535267113769 0.85729623173980 0.00874503564945 15.999 > 22 87 O 0.89535267113769 0.35729623173980 0.50874503564945 15.999 > 22 88 O 0.89535267113769 0.85729623173980 0.50874503564945 15.999 > 22 89 O 0.87611705966392 0.22443609266157 0.36294926062297 15.999 > 23 90 O 0.87611705966392 0.72443609266157 0.36294926062297 15.999 > 23 91 O 0.87611705966392 0.22443609266157 0.86294926062297 15.999 > 23 92 O 0.87611705966392 0.72443609266157 0.86294926062297 15.999 > 23 93 O 0.79114909189274 0.03638632832813 0.41848374882731 15.999 > 24 94 O 0.79114909189274 0.53638632832813 0.41848374882731 15.999 > 24 95 O 0.79114909189274 0.03638632832813 0.91848374882731 15.999 > 24 96 O 0.79114909189274 0.53638632832813 0.91848374882731 15.999 > 24 97 O 0.61341766165300 0.19076817108791 0.46941053491159 15.999 > 25 98 O 0.61341766165300 0.69076817108791 0.46941053491159 15.999 > 25 99 O 0.61341766165300 0.19076817108791 0.96941053491159 15.999 > 25 100 O 0.61341766165300 0.69076817108791 0.96941053491159 15.999 > 25 101 O 0.87611705966392 0.02556390733843 0.11294926062297 15.999 > 26 102 O 0.87611705966392 0.52556390733843 0.11294926062297 15.999 > 26 103 O 0.87611705966392 0.02556390733843 0.61294926062297 15.999 > 26 104 O 0.87611705966392 0.52556390733843 0.61294926062297 15.999 > 26 105 O 0.20885090810726 0.46361367167187 0.08151625117269 15.999 > 27 106 O 0.20885090810726 0.96361367167187 0.08151625117269 15.999 > 27 107 O 0.20885090810726 0.46361367167187 0.58151625117269 15.999 > 27 108 O 0.20885090810726 0.96361367167187 0.58151625117269 15.999 > 27 109 O 0.61355815558285 0.31771872132855 0.24552480627806 15.999 > 28 110 O 0.61355815558285 0.81771872132855 0.24552480627806 15.999 > 28 111 O 0.61355815558285 0.31771872132855 0.74552480627806 15.999 > 28 112 O 0.61355815558285 0.81771872132855 0.74552480627806 15.999 > 28 113 O 0.38644184441715 0.18228127867145 0.25447519372194 15.999 > 29 114 O 0.38644184441715 0.68228127867145 0.25447519372194 15.999 > 29 115 O 0.38644184441715 0.18228127867145 0.75447519372194 15.999 > 29 116 O 0.38644184441715 0.68228127867145 0.75447519372194 15.999 > 29 117 O 0.10464732886231 0.10729623173980 0.24125496435055 15.999 > 30 118 O 0.10464732886231 0.60729623173980 0.24125496435055 15.999 > 30 119 O 0.10464732886231 0.10729623173980 0.74125496435055 15.999 > 30 120 O 0.10464732886231 0.60729623173980 0.74125496435055 15.999 > 30 121 O 0.38644184441715 0.06771872132855 0.00447519372194 15.999 > 31 122 O 0.38644184441715 0.56771872132855 0.00447519372194 15.999 > 31 123 O 0.38644184441715 0.06771872132855 0.50447519372194 15.999 > 31 124 O 0.38644184441715 0.56771872132855 0.50447519372194 15.999 > 31 125 O 0.12388294033608 0.27556390733843 0.13705073937703 15.999 > 32 126 O 0.12388294033608 0.77556390733843 0.13705073937703 15.999 > 32 127 O 0.12388294033608 0.27556390733843 0.63705073937703 15.999 > 32 128 O 0.12388294033608 0.77556390733843 0.63705073937703 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7522383 0.0000000 0.0533993 0.0000000 3.7939193 0.0000000 0.0533991 0.0000000 3.8310049 -------------------------- Born effective charges -------------------------- 1 Y 4.1361456 0.1463964 -0.1905913 0.0615497 3.6503122 -0.0706203 -0.1209698 -0.0403064 3.8635058 2 Y 4.1361456 0.1463964 -0.1905913 0.0615497 3.6503122 -0.0706203 -0.1209698 -0.0403064 3.8635058 3 Y 4.1361456 -0.1463964 -0.1905913 -0.0615497 3.6503122 0.0706203 -0.1209698 0.0403064 3.8635058 4 Y 4.1361456 -0.1463964 -0.1905913 -0.0615497 3.6503122 0.0706203 -0.1209698 0.0403064 3.8635058 5 Y 3.2961769 0.0077985 0.0911892 0.1780786 3.7804185 0.2739659 0.0036339 0.3073390 3.9757778 6 Y 3.2961769 -0.0077985 0.0911892 -0.1780786 3.7804185 -0.2739659 0.0036339 -0.3073390 3.9757778 7 Y 3.2961769 -0.0077985 0.0911892 -0.1780786 3.7804185 -0.2739659 0.0036339 -0.3073390 3.9757778 8 Y 3.2961769 0.0077985 0.0911892 0.1780786 3.7804185 0.2739659 0.0036339 0.3073390 3.9757778 9 Si 3.1525127 0.2630095 0.2507951 0.0755167 3.4170760 0.0365907 0.3100476 0.0601805 2.9509386 10 Si 3.1525127 -0.2630095 0.2507951 -0.0755167 3.4170760 -0.0365907 0.3100476 -0.0601805 2.9509386 11 Si 3.1525127 0.2630095 0.2507951 0.0755167 3.4170760 0.0365907 0.3100476 0.0601805 2.9509386 12 Si 3.1525127 -0.2630095 0.2507951 -0.0755167 3.4170760 -0.0365907 0.3100476 -0.0601805 2.9509386 13 O -2.4131356 -0.2670936 -0.2000615 -0.2926068 -2.4084386 0.0190069 -0.1434876 0.0305291 -2.4805836 14 O -2.4041610 -0.2958227 -0.1347531 -0.3706275 -1.8918819 -0.0578062 -0.0711783 -0.0074382 -1.9166771 15 O -2.0201406 0.1233025 0.1885734 0.1565742 -1.9058652 -0.3323687 0.1635724 -0.4199560 -2.3923960 16 O -2.2399999 0.4910008 0.0706022 0.5066990 -2.4866214 -0.0887065 -0.0114736 -0.0489903 -1.4071292 17 O -2.4131356 -0.2670936 -0.2000615 -0.2926068 -2.4084386 0.0190069 -0.1434876 0.0305291 -2.4805836 18 O -1.5073982 0.1032238 -0.0757538 0.0517194 -2.1549996 -0.1635442 -0.1301446 -0.2745414 -2.5934363 19 O -2.4131356 0.2670936 -0.2000615 0.2926068 -2.4084386 -0.0190069 -0.1434876 -0.0305291 -2.4805836 20 O -2.0201406 0.1233025 0.1885734 0.1565742 -1.9058652 -0.3323687 0.1635724 -0.4199560 -2.3923960 21 O -2.2399999 -0.4910008 0.0706022 -0.5066990 -2.4866214 0.0887065 -0.0114736 0.0489903 -1.4071292 22 O -2.2399999 0.4910008 0.0706022 0.5066990 -2.4866214 -0.0887065 -0.0114736 -0.0489903 -1.4071292 23 O -1.5073982 -0.1032238 -0.0757538 -0.0517194 -2.1549996 0.1635442 -0.1301446 0.2745414 -2.5934363 24 O -2.0201406 -0.1233025 0.1885734 -0.1565742 -1.9058652 0.3323687 0.1635724 0.4199560 -2.3923960 25 O -2.4131356 0.2670936 -0.2000615 0.2926068 -2.4084386 -0.0190069 -0.1434876 -0.0305291 -2.4805836 26 O -1.5073982 0.1032238 -0.0757538 0.0517194 -2.1549996 -0.1635442 -0.1301446 -0.2745414 -2.5934363 27 O -2.0201406 -0.1233025 0.1885734 -0.1565742 -1.9058652 0.3323687 0.1635724 0.4199560 -2.3923960 28 O -2.4041610 0.2958227 -0.1347531 0.3706275 -1.8918819 0.0578062 -0.0711783 0.0074382 -1.9166771 29 O -2.4041610 0.2958227 -0.1347531 0.3706275 -1.8918819 0.0578062 -0.0711783 0.0074382 -1.9166771 30 O -2.2399999 -0.4910008 0.0706022 -0.5066990 -2.4866214 0.0887065 -0.0114736 0.0489903 -1.4071292 31 O -2.4041610 -0.2958227 -0.1347531 -0.3706275 -1.8918819 -0.0578062 -0.0711783 -0.0074382 -1.9166771 32 O -1.5073982 -0.1032238 -0.0757538 -0.0517194 -2.1549996 0.1635442 -0.1301446 0.2745414 -2.5934363 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 260 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 260 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 260), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 260), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.319 Solver_block: 200 / 960 - Time: 1.157 Solver_block: 300 / 960 - Time: 1.158 Solver_block: 400 / 960 - Time: 1.162 Solver_block: 500 / 960 - Time: 1.156 Solver_block: 600 / 960 - Time: 1.160 Solver_block: 700 / 960 - Time: 1.155 Solver_block: 800 / 960 - Time: 1.163 Solver_block: 900 / 960 - Time: 1.161 Solver_block: 960 / 960 - Time: 0.802 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.713 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 260 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 260 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 260), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 260), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:08:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:08:03]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.024144830172332 0.000000000000000 0.000000000000000 b 0.000000000000000 6.833990390000002 0.000000000000000 c -1.815958966507889 0.000000000000000 6.411483672906811 Atomic positions (fractional): 1 Y 0.87417626879417 0.36075437222436 0.05750251722734 88.906 2 Y 0.12582373120583 0.63924562777564 0.94249748277266 88.906 3 Y 0.12582373120583 0.86075437222436 0.44249748277266 88.906 4 Y 0.87417626879417 0.13924562777564 0.55750251722734 88.906 5 Y 0.47239865162430 0.87476754017900 0.26772570071045 88.906 6 Y 0.52760134837570 0.37476754017900 0.23227429928955 88.906 7 Y 0.47239865162430 0.62523245982100 0.76772570071045 88.906 8 Y 0.52760134837570 0.12523245982100 0.73227429928955 88.906 9 Si 0.79944078586051 0.58937129397520 0.52605297425039 28.085 10 Si 0.20055921413949 0.08937129397520 0.97394702574961 28.085 11 Si 0.20055921413949 0.41062870602480 0.47394702574961 28.085 12 Si 0.79944078586051 0.91062870602480 0.02605297425039 28.085 13 O 0.61341766165300 0.11846365782419 0.43882106982317 15.999 14 O 0.61355815558285 0.86456255734289 0.99104961255613 15.999 15 O 0.79114909189274 0.42722734334375 0.33696749765461 15.999 16 O 0.10464732886231 0.28540753652040 0.98250992870110 15.999 17 O 0.38658233834700 0.88153634217581 0.56117893017682 15.999 18 O 0.12388294033608 0.94887218532313 0.77410147875406 15.999 19 O 0.38658233834700 0.61846365782419 0.06117893017682 15.999 20 O 0.20885090810726 0.57277265665626 0.66303250234539 15.999 21 O 0.89535267113769 0.78540753652039 0.51749007129890 15.999 22 O 0.89535267113769 0.71459246347961 0.01749007129889 15.999 23 O 0.87611705966392 0.44887218532313 0.72589852124594 15.999 24 O 0.79114909189274 0.07277265665626 0.83696749765461 15.999 25 O 0.61341766165300 0.38153634217581 0.93882106982318 15.999 26 O 0.87611705966392 0.05112781467687 0.22589852124594 15.999 27 O 0.20885090810726 0.92722734334374 0.16303250234539 15.999 28 O 0.61355815558285 0.63543744265711 0.49104961255613 15.999 29 O 0.38644184441715 0.36456255734289 0.50895038744387 15.999 30 O 0.10464732886231 0.21459246347961 0.48250992870110 15.999 31 O 0.38644184441715 0.13543744265711 0.00895038744387 15.999 32 O 0.12388294033608 0.55112781467687 0.27410147875406 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.024144830172332 0.000000000000000 0.000000000000000 b 0.000000000000000 13.667980780000004 0.000000000000000 c -3.631917933015778 0.000000000000000 12.822967345813622 Atomic positions (fractional): 1 Y 0.87417626879417 0.18037718611218 0.02875125861367 88.906 > 1 2 Y 0.87417626879417 0.68037718611218 0.02875125861367 88.906 > 1 3 Y 0.87417626879417 0.18037718611218 0.52875125861367 88.906 > 1 4 Y 0.87417626879417 0.68037718611218 0.52875125861367 88.906 > 1 5 Y 0.12582373120583 0.31962281388782 0.47124874138633 88.906 > 5 6 Y 0.12582373120583 0.81962281388782 0.47124874138633 88.906 > 5 7 Y 0.12582373120583 0.31962281388782 0.97124874138633 88.906 > 5 8 Y 0.12582373120583 0.81962281388782 0.97124874138633 88.906 > 5 9 Y 0.12582373120583 0.43037718611218 0.22124874138633 88.906 > 9 10 Y 0.12582373120583 0.93037718611218 0.22124874138633 88.906 > 9 11 Y 0.12582373120583 0.43037718611218 0.72124874138633 88.906 > 9 12 Y 0.12582373120583 0.93037718611218 0.72124874138633 88.906 > 9 13 Y 0.87417626879417 0.06962281388782 0.27875125861367 88.906 > 13 14 Y 0.87417626879417 0.56962281388782 0.27875125861367 88.906 > 13 15 Y 0.87417626879417 0.06962281388782 0.77875125861367 88.906 > 13 16 Y 0.87417626879417 0.56962281388782 0.77875125861367 88.906 > 13 17 Y 0.47239865162430 0.43738377008950 0.13386285035523 88.906 > 17 18 Y 0.47239865162430 0.93738377008950 0.13386285035523 88.906 > 17 19 Y 0.47239865162430 0.43738377008950 0.63386285035523 88.906 > 17 20 Y 0.47239865162430 0.93738377008950 0.63386285035523 88.906 > 17 21 Y 0.52760134837570 0.18738377008950 0.11613714964477 88.906 > 21 22 Y 0.52760134837570 0.68738377008950 0.11613714964477 88.906 > 21 23 Y 0.52760134837570 0.18738377008950 0.61613714964477 88.906 > 21 24 Y 0.52760134837570 0.68738377008950 0.61613714964477 88.906 > 21 25 Y 0.47239865162430 0.31261622991050 0.38386285035523 88.906 > 25 26 Y 0.47239865162430 0.81261622991050 0.38386285035523 88.906 > 25 27 Y 0.47239865162430 0.31261622991050 0.88386285035523 88.906 > 25 28 Y 0.47239865162430 0.81261622991050 0.88386285035523 88.906 > 25 29 Y 0.52760134837570 0.06261622991050 0.36613714964477 88.906 > 29 30 Y 0.52760134837570 0.56261622991050 0.36613714964477 88.906 > 29 31 Y 0.52760134837570 0.06261622991050 0.86613714964477 88.906 > 29 32 Y 0.52760134837570 0.56261622991050 0.86613714964477 88.906 > 29 33 Si 0.79944078586051 0.29468564698760 0.26302648712519 28.085 > 33 34 Si 0.79944078586051 0.79468564698760 0.26302648712519 28.085 > 33 35 Si 0.79944078586051 0.29468564698760 0.76302648712520 28.085 > 33 36 Si 0.79944078586051 0.79468564698760 0.76302648712520 28.085 > 33 37 Si 0.20055921413949 0.04468564698760 0.48697351287481 28.085 > 37 38 Si 0.20055921413949 0.54468564698760 0.48697351287481 28.085 > 37 39 Si 0.20055921413949 0.04468564698760 0.98697351287480 28.085 > 37 40 Si 0.20055921413949 0.54468564698760 0.98697351287480 28.085 > 37 41 Si 0.20055921413949 0.20531435301240 0.23697351287481 28.085 > 41 42 Si 0.20055921413949 0.70531435301240 0.23697351287481 28.085 > 41 43 Si 0.20055921413949 0.20531435301240 0.73697351287480 28.085 > 41 44 Si 0.20055921413949 0.70531435301240 0.73697351287480 28.085 > 41 45 Si 0.79944078586051 0.45531435301240 0.01302648712519 28.085 > 45 46 Si 0.79944078586051 0.95531435301240 0.01302648712519 28.085 > 45 47 Si 0.79944078586051 0.45531435301240 0.51302648712520 28.085 > 45 48 Si 0.79944078586051 0.95531435301240 0.51302648712520 28.085 > 45 49 O 0.61341766165300 0.05923182891209 0.21941053491159 15.999 > 49 50 O 0.61341766165300 0.55923182891209 0.21941053491159 15.999 > 49 51 O 0.61341766165300 0.05923182891209 0.71941053491159 15.999 > 49 52 O 0.61341766165300 0.55923182891209 0.71941053491159 15.999 > 49 53 O 0.61355815558285 0.43228127867145 0.49552480627806 15.999 > 53 54 O 0.61355815558285 0.93228127867145 0.49552480627806 15.999 > 53 55 O 0.61355815558285 0.43228127867145 0.99552480627806 15.999 > 53 56 O 0.61355815558285 0.93228127867145 0.99552480627806 15.999 > 53 57 O 0.79114909189274 0.21361367167187 0.16848374882731 15.999 > 57 58 O 0.79114909189274 0.71361367167187 0.16848374882731 15.999 > 57 59 O 0.79114909189274 0.21361367167187 0.66848374882731 15.999 > 57 60 O 0.79114909189274 0.71361367167187 0.66848374882731 15.999 > 57 61 O 0.10464732886231 0.14270376826020 0.49125496435055 15.999 > 61 62 O 0.10464732886231 0.64270376826020 0.49125496435055 15.999 > 61 63 O 0.10464732886231 0.14270376826020 0.99125496435055 15.999 > 61 64 O 0.10464732886231 0.64270376826020 0.99125496435055 15.999 > 61 65 O 0.38658233834700 0.44076817108791 0.28058946508841 15.999 > 65 66 O 0.38658233834700 0.94076817108791 0.28058946508841 15.999 > 65 67 O 0.38658233834700 0.44076817108791 0.78058946508841 15.999 > 65 68 O 0.38658233834700 0.94076817108791 0.78058946508841 15.999 > 65 69 O 0.12388294033608 0.47443609266157 0.38705073937703 15.999 > 69 70 O 0.12388294033608 0.97443609266157 0.38705073937703 15.999 > 69 71 O 0.12388294033608 0.47443609266157 0.88705073937703 15.999 > 69 72 O 0.12388294033608 0.97443609266157 0.88705073937703 15.999 > 69 73 O 0.38658233834700 0.30923182891209 0.03058946508841 15.999 > 73 74 O 0.38658233834700 0.80923182891209 0.03058946508841 15.999 > 73 75 O 0.38658233834700 0.30923182891209 0.53058946508841 15.999 > 73 76 O 0.38658233834700 0.80923182891209 0.53058946508841 15.999 > 73 77 O 0.20885090810726 0.28638632832813 0.33151625117269 15.999 > 77 78 O 0.20885090810726 0.78638632832813 0.33151625117269 15.999 > 77 79 O 0.20885090810726 0.28638632832813 0.83151625117269 15.999 > 77 80 O 0.20885090810726 0.78638632832813 0.83151625117269 15.999 > 77 81 O 0.89535267113769 0.39270376826020 0.25874503564945 15.999 > 81 82 O 0.89535267113769 0.89270376826020 0.25874503564945 15.999 > 81 83 O 0.89535267113769 0.39270376826020 0.75874503564945 15.999 > 81 84 O 0.89535267113769 0.89270376826020 0.75874503564945 15.999 > 81 85 O 0.89535267113769 0.35729623173980 0.00874503564945 15.999 > 85 86 O 0.89535267113769 0.85729623173980 0.00874503564945 15.999 > 85 87 O 0.89535267113769 0.35729623173980 0.50874503564945 15.999 > 85 88 O 0.89535267113769 0.85729623173980 0.50874503564945 15.999 > 85 89 O 0.87611705966392 0.22443609266157 0.36294926062297 15.999 > 89 90 O 0.87611705966392 0.72443609266157 0.36294926062297 15.999 > 89 91 O 0.87611705966392 0.22443609266157 0.86294926062297 15.999 > 89 92 O 0.87611705966392 0.72443609266157 0.86294926062297 15.999 > 89 93 O 0.79114909189274 0.03638632832813 0.41848374882731 15.999 > 93 94 O 0.79114909189274 0.53638632832813 0.41848374882731 15.999 > 93 95 O 0.79114909189274 0.03638632832813 0.91848374882731 15.999 > 93 96 O 0.79114909189274 0.53638632832813 0.91848374882731 15.999 > 93 97 O 0.61341766165300 0.19076817108791 0.46941053491159 15.999 > 97 98 O 0.61341766165300 0.69076817108791 0.46941053491159 15.999 > 97 99 O 0.61341766165300 0.19076817108791 0.96941053491159 15.999 > 97 100 O 0.61341766165300 0.69076817108791 0.96941053491159 15.999 > 97 101 O 0.87611705966392 0.02556390733843 0.11294926062297 15.999 > 101 102 O 0.87611705966392 0.52556390733843 0.11294926062297 15.999 > 101 103 O 0.87611705966392 0.02556390733843 0.61294926062297 15.999 > 101 104 O 0.87611705966392 0.52556390733843 0.61294926062297 15.999 > 101 105 O 0.20885090810726 0.46361367167187 0.08151625117269 15.999 > 105 106 O 0.20885090810726 0.96361367167187 0.08151625117269 15.999 > 105 107 O 0.20885090810726 0.46361367167187 0.58151625117269 15.999 > 105 108 O 0.20885090810726 0.96361367167187 0.58151625117269 15.999 > 105 109 O 0.61355815558285 0.31771872132855 0.24552480627806 15.999 > 109 110 O 0.61355815558285 0.81771872132855 0.24552480627806 15.999 > 109 111 O 0.61355815558285 0.31771872132855 0.74552480627806 15.999 > 109 112 O 0.61355815558285 0.81771872132855 0.74552480627806 15.999 > 109 113 O 0.38644184441715 0.18228127867145 0.25447519372194 15.999 > 113 114 O 0.38644184441715 0.68228127867145 0.25447519372194 15.999 > 113 115 O 0.38644184441715 0.18228127867145 0.75447519372194 15.999 > 113 116 O 0.38644184441715 0.68228127867145 0.75447519372194 15.999 > 113 117 O 0.10464732886231 0.10729623173980 0.24125496435055 15.999 > 117 118 O 0.10464732886231 0.60729623173980 0.24125496435055 15.999 > 117 119 O 0.10464732886231 0.10729623173980 0.74125496435055 15.999 > 117 120 O 0.10464732886231 0.60729623173980 0.74125496435055 15.999 > 117 121 O 0.38644184441715 0.06771872132855 0.00447519372194 15.999 > 121 122 O 0.38644184441715 0.56771872132855 0.00447519372194 15.999 > 121 123 O 0.38644184441715 0.06771872132855 0.50447519372194 15.999 > 121 124 O 0.38644184441715 0.56771872132855 0.50447519372194 15.999 > 121 125 O 0.12388294033608 0.27556390733843 0.13705073937703 15.999 > 125 126 O 0.12388294033608 0.77556390733843 0.13705073937703 15.999 > 125 127 O 0.12388294033608 0.27556390733843 0.63705073937703 15.999 > 125 128 O 0.12388294033608 0.77556390733843 0.63705073937703 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7522383 0.0000000 0.0533993 0.0000000 3.7939193 0.0000000 0.0533991 0.0000000 3.8310049 -------------------------- Born effective charges -------------------------- 1 Y 4.1361456 0.1463964 -0.1905913 0.0615497 3.6503122 -0.0706203 -0.1209698 -0.0403064 3.8635058 2 Y 4.1361456 0.1463964 -0.1905913 0.0615497 3.6503122 -0.0706203 -0.1209698 -0.0403064 3.8635058 3 Y 4.1361456 -0.1463964 -0.1905913 -0.0615497 3.6503122 0.0706203 -0.1209698 0.0403064 3.8635058 4 Y 4.1361456 -0.1463964 -0.1905913 -0.0615497 3.6503122 0.0706203 -0.1209698 0.0403064 3.8635058 5 Y 3.2961769 0.0077985 0.0911892 0.1780786 3.7804185 0.2739659 0.0036339 0.3073390 3.9757778 6 Y 3.2961769 -0.0077985 0.0911892 -0.1780786 3.7804185 -0.2739659 0.0036339 -0.3073390 3.9757778 7 Y 3.2961769 -0.0077985 0.0911892 -0.1780786 3.7804185 -0.2739659 0.0036339 -0.3073390 3.9757778 8 Y 3.2961769 0.0077985 0.0911892 0.1780786 3.7804185 0.2739659 0.0036339 0.3073390 3.9757778 9 Si 3.1525127 0.2630095 0.2507951 0.0755167 3.4170760 0.0365907 0.3100476 0.0601805 2.9509386 10 Si 3.1525127 -0.2630095 0.2507951 -0.0755167 3.4170760 -0.0365907 0.3100476 -0.0601805 2.9509386 11 Si 3.1525127 0.2630095 0.2507951 0.0755167 3.4170760 0.0365907 0.3100476 0.0601805 2.9509386 12 Si 3.1525127 -0.2630095 0.2507951 -0.0755167 3.4170760 -0.0365907 0.3100476 -0.0601805 2.9509386 13 O -2.4131356 -0.2670936 -0.2000615 -0.2926068 -2.4084386 0.0190069 -0.1434876 0.0305291 -2.4805836 14 O -2.4041610 -0.2958227 -0.1347531 -0.3706275 -1.8918819 -0.0578062 -0.0711783 -0.0074382 -1.9166771 15 O -2.0201406 0.1233025 0.1885734 0.1565742 -1.9058652 -0.3323687 0.1635724 -0.4199560 -2.3923960 16 O -2.2399999 0.4910008 0.0706022 0.5066990 -2.4866214 -0.0887065 -0.0114736 -0.0489903 -1.4071292 17 O -2.4131356 -0.2670936 -0.2000615 -0.2926068 -2.4084386 0.0190069 -0.1434876 0.0305291 -2.4805836 18 O -1.5073982 0.1032238 -0.0757538 0.0517194 -2.1549996 -0.1635442 -0.1301446 -0.2745414 -2.5934363 19 O -2.4131356 0.2670936 -0.2000615 0.2926068 -2.4084386 -0.0190069 -0.1434876 -0.0305291 -2.4805836 20 O -2.0201406 0.1233025 0.1885734 0.1565742 -1.9058652 -0.3323687 0.1635724 -0.4199560 -2.3923960 21 O -2.2399999 -0.4910008 0.0706022 -0.5066990 -2.4866214 0.0887065 -0.0114736 0.0489903 -1.4071292 22 O -2.2399999 0.4910008 0.0706022 0.5066990 -2.4866214 -0.0887065 -0.0114736 -0.0489903 -1.4071292 23 O -1.5073982 -0.1032238 -0.0757538 -0.0517194 -2.1549996 0.1635442 -0.1301446 0.2745414 -2.5934363 24 O -2.0201406 -0.1233025 0.1885734 -0.1565742 -1.9058652 0.3323687 0.1635724 0.4199560 -2.3923960 25 O -2.4131356 0.2670936 -0.2000615 0.2926068 -2.4084386 -0.0190069 -0.1434876 -0.0305291 -2.4805836 26 O -1.5073982 0.1032238 -0.0757538 0.0517194 -2.1549996 -0.1635442 -0.1301446 -0.2745414 -2.5934363 27 O -2.0201406 -0.1233025 0.1885734 -0.1565742 -1.9058652 0.3323687 0.1635724 0.4199560 -2.3923960 28 O -2.4041610 0.2958227 -0.1347531 0.3706275 -1.8918819 0.0578062 -0.0711783 0.0074382 -1.9166771 29 O -2.4041610 0.2958227 -0.1347531 0.3706275 -1.8918819 0.0578062 -0.0711783 0.0074382 -1.9166771 30 O -2.2399999 -0.4910008 0.0706022 -0.5066990 -2.4866214 0.0887065 -0.0114736 0.0489903 -1.4071292 31 O -2.4041610 -0.2958227 -0.1347531 -0.3706275 -1.8918819 -0.0578062 -0.0711783 -0.0074382 -1.9166771 32 O -1.5073982 -0.1032238 -0.0757538 -0.0517194 -2.1549996 0.1635442 -0.1301446 0.2745414 -2.5934363 ---------------------------------------------------------------------------- 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 53, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 61, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:08:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:08:50]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.024144830172332 0.000000000000000 0.000000000000000 b 0.000000000000000 6.833990390000002 0.000000000000000 c -1.815958966507889 0.000000000000000 6.411483672906811 Atomic positions (fractional): 1 Y 0.87417626879417 0.36075437222436 0.05750251722734 88.906 2 Y 0.12582373120583 0.63924562777564 0.94249748277266 88.906 3 Y 0.12582373120583 0.86075437222436 0.44249748277266 88.906 4 Y 0.87417626879417 0.13924562777564 0.55750251722734 88.906 5 Y 0.47239865162430 0.87476754017900 0.26772570071045 88.906 6 Y 0.52760134837570 0.37476754017900 0.23227429928955 88.906 7 Y 0.47239865162430 0.62523245982100 0.76772570071045 88.906 8 Y 0.52760134837570 0.12523245982100 0.73227429928955 88.906 9 Si 0.79944078586051 0.58937129397520 0.52605297425039 28.085 10 Si 0.20055921413949 0.08937129397520 0.97394702574961 28.085 11 Si 0.20055921413949 0.41062870602480 0.47394702574961 28.085 12 Si 0.79944078586051 0.91062870602480 0.02605297425039 28.085 13 O 0.61341766165300 0.11846365782419 0.43882106982317 15.999 14 O 0.61355815558285 0.86456255734289 0.99104961255613 15.999 15 O 0.79114909189274 0.42722734334375 0.33696749765461 15.999 16 O 0.10464732886231 0.28540753652040 0.98250992870110 15.999 17 O 0.38658233834700 0.88153634217581 0.56117893017682 15.999 18 O 0.12388294033608 0.94887218532313 0.77410147875406 15.999 19 O 0.38658233834700 0.61846365782419 0.06117893017682 15.999 20 O 0.20885090810726 0.57277265665626 0.66303250234539 15.999 21 O 0.89535267113769 0.78540753652039 0.51749007129890 15.999 22 O 0.89535267113769 0.71459246347961 0.01749007129889 15.999 23 O 0.87611705966392 0.44887218532313 0.72589852124594 15.999 24 O 0.79114909189274 0.07277265665626 0.83696749765461 15.999 25 O 0.61341766165300 0.38153634217581 0.93882106982318 15.999 26 O 0.87611705966392 0.05112781467687 0.22589852124594 15.999 27 O 0.20885090810726 0.92722734334374 0.16303250234539 15.999 28 O 0.61355815558285 0.63543744265711 0.49104961255613 15.999 29 O 0.38644184441715 0.36456255734289 0.50895038744387 15.999 30 O 0.10464732886231 0.21459246347961 0.48250992870110 15.999 31 O 0.38644184441715 0.13543744265711 0.00895038744387 15.999 32 O 0.12388294033608 0.55112781467687 0.27410147875406 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.024144830172332 0.000000000000000 0.000000000000000 b 0.000000000000000 13.667980780000004 0.000000000000000 c -3.631917933015778 0.000000000000000 12.822967345813622 Atomic positions (fractional): 1 Y 0.87417626879417 0.18037718611218 0.02875125861367 88.906 > 1 2 Y 0.87417626879417 0.68037718611218 0.02875125861367 88.906 > 1 3 Y 0.87417626879417 0.18037718611218 0.52875125861367 88.906 > 1 4 Y 0.87417626879417 0.68037718611218 0.52875125861367 88.906 > 1 5 Y 0.12582373120583 0.31962281388782 0.47124874138633 88.906 > 5 6 Y 0.12582373120583 0.81962281388782 0.47124874138633 88.906 > 5 7 Y 0.12582373120583 0.31962281388782 0.97124874138633 88.906 > 5 8 Y 0.12582373120583 0.81962281388782 0.97124874138633 88.906 > 5 9 Y 0.12582373120583 0.43037718611218 0.22124874138633 88.906 > 9 10 Y 0.12582373120583 0.93037718611218 0.22124874138633 88.906 > 9 11 Y 0.12582373120583 0.43037718611218 0.72124874138633 88.906 > 9 12 Y 0.12582373120583 0.93037718611218 0.72124874138633 88.906 > 9 13 Y 0.87417626879417 0.06962281388782 0.27875125861367 88.906 > 13 14 Y 0.87417626879417 0.56962281388782 0.27875125861367 88.906 > 13 15 Y 0.87417626879417 0.06962281388782 0.77875125861367 88.906 > 13 16 Y 0.87417626879417 0.56962281388782 0.77875125861367 88.906 > 13 17 Y 0.47239865162430 0.43738377008950 0.13386285035523 88.906 > 17 18 Y 0.47239865162430 0.93738377008950 0.13386285035523 88.906 > 17 19 Y 0.47239865162430 0.43738377008950 0.63386285035523 88.906 > 17 20 Y 0.47239865162430 0.93738377008950 0.63386285035523 88.906 > 17 21 Y 0.52760134837570 0.18738377008950 0.11613714964477 88.906 > 21 22 Y 0.52760134837570 0.68738377008950 0.11613714964477 88.906 > 21 23 Y 0.52760134837570 0.18738377008950 0.61613714964477 88.906 > 21 24 Y 0.52760134837570 0.68738377008950 0.61613714964477 88.906 > 21 25 Y 0.47239865162430 0.31261622991050 0.38386285035523 88.906 > 25 26 Y 0.47239865162430 0.81261622991050 0.38386285035523 88.906 > 25 27 Y 0.47239865162430 0.31261622991050 0.88386285035523 88.906 > 25 28 Y 0.47239865162430 0.81261622991050 0.88386285035523 88.906 > 25 29 Y 0.52760134837570 0.06261622991050 0.36613714964477 88.906 > 29 30 Y 0.52760134837570 0.56261622991050 0.36613714964477 88.906 > 29 31 Y 0.52760134837570 0.06261622991050 0.86613714964477 88.906 > 29 32 Y 0.52760134837570 0.56261622991050 0.86613714964477 88.906 > 29 33 Si 0.79944078586051 0.29468564698760 0.26302648712519 28.085 > 33 34 Si 0.79944078586051 0.79468564698760 0.26302648712519 28.085 > 33 35 Si 0.79944078586051 0.29468564698760 0.76302648712520 28.085 > 33 36 Si 0.79944078586051 0.79468564698760 0.76302648712520 28.085 > 33 37 Si 0.20055921413949 0.04468564698760 0.48697351287481 28.085 > 37 38 Si 0.20055921413949 0.54468564698760 0.48697351287481 28.085 > 37 39 Si 0.20055921413949 0.04468564698760 0.98697351287480 28.085 > 37 40 Si 0.20055921413949 0.54468564698760 0.98697351287480 28.085 > 37 41 Si 0.20055921413949 0.20531435301240 0.23697351287481 28.085 > 41 42 Si 0.20055921413949 0.70531435301240 0.23697351287481 28.085 > 41 43 Si 0.20055921413949 0.20531435301240 0.73697351287480 28.085 > 41 44 Si 0.20055921413949 0.70531435301240 0.73697351287480 28.085 > 41 45 Si 0.79944078586051 0.45531435301240 0.01302648712519 28.085 > 45 46 Si 0.79944078586051 0.95531435301240 0.01302648712519 28.085 > 45 47 Si 0.79944078586051 0.45531435301240 0.51302648712520 28.085 > 45 48 Si 0.79944078586051 0.95531435301240 0.51302648712520 28.085 > 45 49 O 0.61341766165300 0.05923182891209 0.21941053491159 15.999 > 49 50 O 0.61341766165300 0.55923182891209 0.21941053491159 15.999 > 49 51 O 0.61341766165300 0.05923182891209 0.71941053491159 15.999 > 49 52 O 0.61341766165300 0.55923182891209 0.71941053491159 15.999 > 49 53 O 0.61355815558285 0.43228127867145 0.49552480627806 15.999 > 53 54 O 0.61355815558285 0.93228127867145 0.49552480627806 15.999 > 53 55 O 0.61355815558285 0.43228127867145 0.99552480627806 15.999 > 53 56 O 0.61355815558285 0.93228127867145 0.99552480627806 15.999 > 53 57 O 0.79114909189274 0.21361367167187 0.16848374882731 15.999 > 57 58 O 0.79114909189274 0.71361367167187 0.16848374882731 15.999 > 57 59 O 0.79114909189274 0.21361367167187 0.66848374882731 15.999 > 57 60 O 0.79114909189274 0.71361367167187 0.66848374882731 15.999 > 57 61 O 0.10464732886231 0.14270376826020 0.49125496435055 15.999 > 61 62 O 0.10464732886231 0.64270376826020 0.49125496435055 15.999 > 61 63 O 0.10464732886231 0.14270376826020 0.99125496435055 15.999 > 61 64 O 0.10464732886231 0.64270376826020 0.99125496435055 15.999 > 61 65 O 0.38658233834700 0.44076817108791 0.28058946508841 15.999 > 65 66 O 0.38658233834700 0.94076817108791 0.28058946508841 15.999 > 65 67 O 0.38658233834700 0.44076817108791 0.78058946508841 15.999 > 65 68 O 0.38658233834700 0.94076817108791 0.78058946508841 15.999 > 65 69 O 0.12388294033608 0.47443609266157 0.38705073937703 15.999 > 69 70 O 0.12388294033608 0.97443609266157 0.38705073937703 15.999 > 69 71 O 0.12388294033608 0.47443609266157 0.88705073937703 15.999 > 69 72 O 0.12388294033608 0.97443609266157 0.88705073937703 15.999 > 69 73 O 0.38658233834700 0.30923182891209 0.03058946508841 15.999 > 73 74 O 0.38658233834700 0.80923182891209 0.03058946508841 15.999 > 73 75 O 0.38658233834700 0.30923182891209 0.53058946508841 15.999 > 73 76 O 0.38658233834700 0.80923182891209 0.53058946508841 15.999 > 73 77 O 0.20885090810726 0.28638632832813 0.33151625117269 15.999 > 77 78 O 0.20885090810726 0.78638632832813 0.33151625117269 15.999 > 77 79 O 0.20885090810726 0.28638632832813 0.83151625117269 15.999 > 77 80 O 0.20885090810726 0.78638632832813 0.83151625117269 15.999 > 77 81 O 0.89535267113769 0.39270376826020 0.25874503564945 15.999 > 81 82 O 0.89535267113769 0.89270376826020 0.25874503564945 15.999 > 81 83 O 0.89535267113769 0.39270376826020 0.75874503564945 15.999 > 81 84 O 0.89535267113769 0.89270376826020 0.75874503564945 15.999 > 81 85 O 0.89535267113769 0.35729623173980 0.00874503564945 15.999 > 85 86 O 0.89535267113769 0.85729623173980 0.00874503564945 15.999 > 85 87 O 0.89535267113769 0.35729623173980 0.50874503564945 15.999 > 85 88 O 0.89535267113769 0.85729623173980 0.50874503564945 15.999 > 85 89 O 0.87611705966392 0.22443609266157 0.36294926062297 15.999 > 89 90 O 0.87611705966392 0.72443609266157 0.36294926062297 15.999 > 89 91 O 0.87611705966392 0.22443609266157 0.86294926062297 15.999 > 89 92 O 0.87611705966392 0.72443609266157 0.86294926062297 15.999 > 89 93 O 0.79114909189274 0.03638632832813 0.41848374882731 15.999 > 93 94 O 0.79114909189274 0.53638632832813 0.41848374882731 15.999 > 93 95 O 0.79114909189274 0.03638632832813 0.91848374882731 15.999 > 93 96 O 0.79114909189274 0.53638632832813 0.91848374882731 15.999 > 93 97 O 0.61341766165300 0.19076817108791 0.46941053491159 15.999 > 97 98 O 0.61341766165300 0.69076817108791 0.46941053491159 15.999 > 97 99 O 0.61341766165300 0.19076817108791 0.96941053491159 15.999 > 97 100 O 0.61341766165300 0.69076817108791 0.96941053491159 15.999 > 97 101 O 0.87611705966392 0.02556390733843 0.11294926062297 15.999 > 101 102 O 0.87611705966392 0.52556390733843 0.11294926062297 15.999 > 101 103 O 0.87611705966392 0.02556390733843 0.61294926062297 15.999 > 101 104 O 0.87611705966392 0.52556390733843 0.61294926062297 15.999 > 101 105 O 0.20885090810726 0.46361367167187 0.08151625117269 15.999 > 105 106 O 0.20885090810726 0.96361367167187 0.08151625117269 15.999 > 105 107 O 0.20885090810726 0.46361367167187 0.58151625117269 15.999 > 105 108 O 0.20885090810726 0.96361367167187 0.58151625117269 15.999 > 105 109 O 0.61355815558285 0.31771872132855 0.24552480627806 15.999 > 109 110 O 0.61355815558285 0.81771872132855 0.24552480627806 15.999 > 109 111 O 0.61355815558285 0.31771872132855 0.74552480627806 15.999 > 109 112 O 0.61355815558285 0.81771872132855 0.74552480627806 15.999 > 109 113 O 0.38644184441715 0.18228127867145 0.25447519372194 15.999 > 113 114 O 0.38644184441715 0.68228127867145 0.25447519372194 15.999 > 113 115 O 0.38644184441715 0.18228127867145 0.75447519372194 15.999 > 113 116 O 0.38644184441715 0.68228127867145 0.75447519372194 15.999 > 113 117 O 0.10464732886231 0.10729623173980 0.24125496435055 15.999 > 117 118 O 0.10464732886231 0.60729623173980 0.24125496435055 15.999 > 117 119 O 0.10464732886231 0.10729623173980 0.74125496435055 15.999 > 117 120 O 0.10464732886231 0.60729623173980 0.74125496435055 15.999 > 117 121 O 0.38644184441715 0.06771872132855 0.00447519372194 15.999 > 121 122 O 0.38644184441715 0.56771872132855 0.00447519372194 15.999 > 121 123 O 0.38644184441715 0.06771872132855 0.50447519372194 15.999 > 121 124 O 0.38644184441715 0.56771872132855 0.50447519372194 15.999 > 121 125 O 0.12388294033608 0.27556390733843 0.13705073937703 15.999 > 125 126 O 0.12388294033608 0.77556390733843 0.13705073937703 15.999 > 125 127 O 0.12388294033608 0.27556390733843 0.63705073937703 15.999 > 125 128 O 0.12388294033608 0.77556390733843 0.63705073937703 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7522383 0.0000000 0.0533993 0.0000000 3.7939193 0.0000000 0.0533991 0.0000000 3.8310049 -------------------------- Born effective charges -------------------------- 1 Y 4.1361456 0.1463964 -0.1905913 0.0615497 3.6503122 -0.0706203 -0.1209698 -0.0403064 3.8635058 2 Y 4.1361456 0.1463964 -0.1905913 0.0615497 3.6503122 -0.0706203 -0.1209698 -0.0403064 3.8635058 3 Y 4.1361456 -0.1463964 -0.1905913 -0.0615497 3.6503122 0.0706203 -0.1209698 0.0403064 3.8635058 4 Y 4.1361456 -0.1463964 -0.1905913 -0.0615497 3.6503122 0.0706203 -0.1209698 0.0403064 3.8635058 5 Y 3.2961769 0.0077985 0.0911892 0.1780786 3.7804185 0.2739659 0.0036339 0.3073390 3.9757778 6 Y 3.2961769 -0.0077985 0.0911892 -0.1780786 3.7804185 -0.2739659 0.0036339 -0.3073390 3.9757778 7 Y 3.2961769 -0.0077985 0.0911892 -0.1780786 3.7804185 -0.2739659 0.0036339 -0.3073390 3.9757778 8 Y 3.2961769 0.0077985 0.0911892 0.1780786 3.7804185 0.2739659 0.0036339 0.3073390 3.9757778 9 Si 3.1525127 0.2630095 0.2507951 0.0755167 3.4170760 0.0365907 0.3100476 0.0601805 2.9509386 10 Si 3.1525127 -0.2630095 0.2507951 -0.0755167 3.4170760 -0.0365907 0.3100476 -0.0601805 2.9509386 11 Si 3.1525127 0.2630095 0.2507951 0.0755167 3.4170760 0.0365907 0.3100476 0.0601805 2.9509386 12 Si 3.1525127 -0.2630095 0.2507951 -0.0755167 3.4170760 -0.0365907 0.3100476 -0.0601805 2.9509386 13 O -2.4131356 -0.2670936 -0.2000615 -0.2926068 -2.4084386 0.0190069 -0.1434876 0.0305291 -2.4805836 14 O -2.4041610 -0.2958227 -0.1347531 -0.3706275 -1.8918819 -0.0578062 -0.0711783 -0.0074382 -1.9166771 15 O -2.0201406 0.1233025 0.1885734 0.1565742 -1.9058652 -0.3323687 0.1635724 -0.4199560 -2.3923960 16 O -2.2399999 0.4910008 0.0706022 0.5066990 -2.4866214 -0.0887065 -0.0114736 -0.0489903 -1.4071292 17 O -2.4131356 -0.2670936 -0.2000615 -0.2926068 -2.4084386 0.0190069 -0.1434876 0.0305291 -2.4805836 18 O -1.5073982 0.1032238 -0.0757538 0.0517194 -2.1549996 -0.1635442 -0.1301446 -0.2745414 -2.5934363 19 O -2.4131356 0.2670936 -0.2000615 0.2926068 -2.4084386 -0.0190069 -0.1434876 -0.0305291 -2.4805836 20 O -2.0201406 0.1233025 0.1885734 0.1565742 -1.9058652 -0.3323687 0.1635724 -0.4199560 -2.3923960 21 O -2.2399999 -0.4910008 0.0706022 -0.5066990 -2.4866214 0.0887065 -0.0114736 0.0489903 -1.4071292 22 O -2.2399999 0.4910008 0.0706022 0.5066990 -2.4866214 -0.0887065 -0.0114736 -0.0489903 -1.4071292 23 O -1.5073982 -0.1032238 -0.0757538 -0.0517194 -2.1549996 0.1635442 -0.1301446 0.2745414 -2.5934363 24 O -2.0201406 -0.1233025 0.1885734 -0.1565742 -1.9058652 0.3323687 0.1635724 0.4199560 -2.3923960 25 O -2.4131356 0.2670936 -0.2000615 0.2926068 -2.4084386 -0.0190069 -0.1434876 -0.0305291 -2.4805836 26 O -1.5073982 0.1032238 -0.0757538 0.0517194 -2.1549996 -0.1635442 -0.1301446 -0.2745414 -2.5934363 27 O -2.0201406 -0.1233025 0.1885734 -0.1565742 -1.9058652 0.3323687 0.1635724 0.4199560 -2.3923960 28 O -2.4041610 0.2958227 -0.1347531 0.3706275 -1.8918819 0.0578062 -0.0711783 0.0074382 -1.9166771 29 O -2.4041610 0.2958227 -0.1347531 0.3706275 -1.8918819 0.0578062 -0.0711783 0.0074382 -1.9166771 30 O -2.2399999 -0.4910008 0.0706022 -0.5066990 -2.4866214 0.0887065 -0.0114736 0.0489903 -1.4071292 31 O -2.4041610 -0.2958227 -0.1347531 -0.3706275 -1.8918819 -0.0578062 -0.0711783 -0.0074382 -1.9166771 32 O -1.5073982 -0.1032238 -0.0757538 -0.0517194 -2.1549996 0.1635442 -0.1301446 0.2745414 -2.5934363 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 7 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 303, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/104) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 3.304 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.574 ( 0.000 0.000 0.000) 0.000 3.680 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 3.981 ( 0.000 0.000 0.000) 0.000 4.230 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.330 ( 0.000 0.000 0.000) 0.000 4.493 ( 0.000 0.000 0.000) 0.000 4.506 ( 0.000 0.000 0.000) 0.000 4.686 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 0.000) 0.000 5.507 ( 0.000 0.000 0.000) 0.000 5.561 ( 0.000 0.000 0.000) 0.000 5.688 ( 0.000 0.000 0.000) 0.000 5.788 ( 0.000 0.000 0.000) 0.000 6.250 ( 0.000 0.000 0.000) 0.000 6.254 ( 0.000 0.000 0.000) 0.000 6.413 ( 0.000 0.000 0.000) 0.000 6.458 ( 0.000 0.000 0.000) 0.000 6.653 ( 0.000 0.000 0.000) 0.000 6.734 ( 0.000 0.000 0.000) 0.000 6.899 ( 0.000 0.000 0.000) 0.000 6.986 ( 0.000 0.000 0.000) 0.000 7.203 ( 0.000 0.000 0.000) 0.000 7.440 ( 0.000 0.000 0.000) 0.000 7.464 ( 0.000 0.000 0.000) 0.000 7.467 ( 0.000 0.000 0.000) 0.000 7.637 ( 0.000 0.000 0.000) 0.000 7.667 ( 0.000 0.000 0.000) 0.000 7.705 ( 0.000 0.000 0.000) 0.000 7.821 ( 0.000 0.000 0.000) 0.000 8.294 ( 0.000 0.000 0.000) 0.000 8.432 ( 0.000 0.000 0.000) 0.000 8.608 ( 0.000 0.000 0.000) 0.000 8.719 ( 0.000 0.000 0.000) 0.000 8.843 ( 0.000 0.000 0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.127 ( 0.000 0.000 0.000) 0.000 9.329 ( 0.000 0.000 0.000) 0.000 9.576 ( 0.000 0.000 0.000) 0.000 10.030 ( 0.000 0.000 0.000) 0.000 10.196 ( 0.000 0.000 0.000) 0.000 10.733 ( 0.000 0.000 0.000) 0.000 10.784 ( 0.000 0.000 0.000) 0.000 10.909 ( 0.000 0.000 0.000) 0.000 11.131 ( 0.000 0.000 0.000) 0.000 11.270 ( 0.000 0.000 0.000) 0.000 11.397 ( 0.000 0.000 0.000) 0.000 11.780 ( 0.000 0.000 0.000) 0.000 12.169 ( 0.000 0.000 0.000) 0.000 12.402 ( 0.000 0.000 0.000) 0.000 12.630 ( 0.000 0.000 0.000) 0.000 12.792 ( 0.000 0.000 0.000) 0.000 13.330 ( 0.000 0.000 0.000) 0.000 13.450 ( 0.000 0.000 0.000) 0.000 13.546 ( 0.000 0.000 0.000) 0.000 13.578 ( 0.000 0.000 0.000) 0.000 13.694 ( 0.000 0.000 0.000) 0.000 14.081 ( 0.000 0.000 0.000) 0.000 14.116 ( 0.000 0.000 0.000) 0.000 14.343 ( 0.000 0.000 0.000) 0.000 14.655 ( 0.000 0.000 0.000) 0.000 14.732 ( 0.000 0.000 0.000) 0.000 15.199 ( 0.000 0.000 0.000) 0.000 15.569 ( 0.000 0.000 0.000) 0.000 16.029 ( 0.000 0.000 0.000) 0.000 16.052 ( 0.000 0.000 0.000) 0.000 16.059 ( 0.000 0.000 0.000) 0.000 16.393 ( 0.000 0.000 0.000) 0.000 16.617 ( 0.000 0.000 0.000) 0.000 16.676 ( 0.000 0.000 0.000) 0.000 17.160 ( 0.000 0.000 0.000) 0.000 24.470 ( 0.000 0.000 0.000) 0.000 24.658 ( 0.000 0.000 0.000) 0.000 24.745 ( 0.000 0.000 0.000) 0.000 24.977 ( 0.000 0.000 0.000) 0.000 25.397 ( 0.000 0.000 0.000) 0.000 25.494 ( 0.000 0.000 0.000) 0.000 25.687 ( 0.000 0.000 0.000) 0.000 25.719 ( 0.000 0.000 0.000) 0.000 27.075 ( 0.000 0.000 0.000) 0.000 27.216 ( 0.000 0.000 0.000) 0.000 27.338 ( 0.000 0.000 0.000) 0.000 28.116 ( 0.000 0.000 0.000) 0.000 29.479 ( 0.000 0.000 0.000) 0.000 29.829 ( 0.000 0.000 0.000) 0.000 30.339 ( 0.000 0.000 0.000) 0.000 30.669 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/104) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 33.034 0.000 0.816) 33.044 0.711 ( 31.200 0.000 20.448) 37.303 1.068 ( 53.479 0.000 4.490) 53.667 2.212 ( -0.177 0.000 6.124) 6.127 2.534 ( 1.252 0.000 3.170) 3.408 3.325 ( -5.238 0.000 -8.337) 9.846 3.332 ( -7.289 0.000 -3.524) 8.096 3.442 ( -4.533 0.000 5.233) 6.923 3.498 ( -9.105 0.000 1.079) 9.169 3.802 ( -7.650 0.000 7.537) 10.739 3.974 ( -0.872 0.000 0.889) 1.245 4.001 ( 7.239 0.000 2.630) 7.702 4.174 ( 2.129 0.000 0.025) 2.129 4.318 ( -2.740 0.000 -1.988) 3.385 4.326 ( 0.748 0.000 5.412) 5.464 4.448 ( -9.437 0.000 -6.784) 11.623 4.544 ( 6.356 0.000 -7.443) 9.788 4.646 ( 0.081 0.000 3.597) 3.598 5.085 ( 5.210 0.000 -1.101) 5.325 5.489 ( -0.575 0.000 -3.088) 3.141 5.545 ( -2.207 0.000 7.097) 7.432 5.783 ( -1.549 0.000 11.458) 11.562 5.889 ( 10.788 0.000 -7.448) 13.109 6.201 ( -5.056 0.000 2.969) 5.863 6.392 ( -2.242 0.000 -6.379) 6.762 6.436 ( -2.622 0.000 -4.392) 5.115 6.473 ( -16.234 0.000 0.261) 16.236 6.636 ( -20.692 0.000 -6.844) 21.794 6.723 ( -2.069 0.000 0.349) 2.099 7.017 ( 3.484 0.000 -0.487) 3.518 7.085 ( -0.700 0.000 18.703) 18.716 7.312 ( -10.914 0.000 -6.623) 12.766 7.336 ( 0.902 0.000 -4.886) 4.969 7.404 ( -1.776 0.000 -3.289) 3.738 7.509 ( 1.590 0.000 -3.521) 3.864 7.609 ( 3.495 0.000 2.917) 4.552 7.791 ( 2.981 0.000 -1.072) 3.168 7.906 ( 6.610 0.000 2.621) 7.111 7.989 ( -1.895 0.000 25.426) 25.496 8.417 ( -0.836 0.000 6.222) 6.278 8.632 ( -3.244 0.000 12.375) 12.793 8.735 ( -1.364 0.000 -2.987) 3.284 8.892 ( 5.212 0.000 0.132) 5.214 8.904 ( 6.511 0.000 23.872) 24.744 9.167 ( 4.176 0.000 -1.100) 4.318 9.319 ( -0.357 0.000 0.185) 0.402 9.335 ( 6.798 0.000 -34.536) 35.199 9.643 ( 5.991 0.000 -7.596) 9.674 10.050 ( 4.476 0.000 -3.650) 5.775 10.124 ( -6.691 0.000 -0.410) 6.704 10.714 ( -2.133 0.000 -0.280) 2.151 10.751 ( -7.160 0.000 4.009) 8.206 11.218 ( 8.079 0.000 -0.221) 8.083 11.381 ( 6.754 0.000 6.731) 9.536 11.441 ( 4.116 0.000 3.617) 5.479 11.588 ( -6.020 0.000 -19.136) 20.060 11.929 ( 9.394 0.000 -23.377) 25.193 12.128 ( -3.600 0.000 -1.757) 4.006 12.388 ( -1.086 0.000 -1.094) 1.542 12.746 ( -3.245 0.000 9.437) 9.979 12.912 ( -0.822 0.000 14.551) 14.574 13.238 ( -18.903 0.000 -1.010) 18.930 13.391 ( 5.770 0.000 0.707) 5.814 13.601 ( -1.878 0.000 -11.087) 11.245 13.707 ( 2.013 0.000 -8.091) 8.337 13.747 ( 6.492 0.000 -3.503) 7.377 14.064 ( -2.577 0.000 -2.124) 3.339 14.172 ( 4.985 0.000 7.398) 8.921 14.719 ( -1.039 0.000 -0.405) 1.115 14.732 ( 7.090 0.000 0.810) 7.136 15.216 ( 1.417 0.000 0.515) 1.508 15.496 ( -1.780 0.000 17.007) 17.100 15.826 ( -11.217 0.000 -4.135) 11.955 16.000 ( -4.823 0.000 5.397) 7.238 16.257 ( 8.151 0.000 4.798) 9.458 16.335 ( -5.181 0.000 3.701) 6.367 16.498 ( -1.542 0.000 4.520) 4.776 16.628 ( 1.330 0.000 -0.317) 1.368 16.781 ( 6.379 0.000 -2.832) 6.979 17.145 ( -1.195 0.000 -1.669) 2.053 24.510 ( 4.072 0.000 0.265) 4.081 24.754 ( 0.309 0.000 2.291) 2.311 24.894 ( 11.050 0.000 -44.014) 45.380 24.950 ( -2.721 0.000 -0.516) 2.770 25.470 ( -1.927 0.000 -0.862) 2.111 25.539 ( -5.439 0.000 11.447) 12.673 25.711 ( 1.854 0.000 0.884) 2.054 25.758 ( 2.565 0.000 2.841) 3.827 27.054 ( -2.322 0.000 1.113) 2.575 27.348 ( 1.179 0.000 -0.870) 1.465 28.137 ( 2.283 0.000 -0.278) 2.300 28.672 ( -16.657 0.000 44.764) 47.763 29.490 ( 1.045 0.000 0.166) 1.058 29.847 ( 1.288 0.000 1.510) 1.985 30.661 ( -0.734 0.000 -0.157) 0.751 30.740 ( 4.495 0.000 -18.708) 19.241 ======================= Grid point 2 (3/104) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 22.764 0.000 -1.448) 22.810 1.321 ( 21.674 0.000 18.678) 28.611 1.906 ( 34.906 0.000 -12.843) 37.193 2.277 ( 3.305 0.000 10.462) 10.971 2.687 ( 12.761 0.000 15.406) 20.004 3.000 ( -17.040 0.000 -2.399) 17.208 3.031 ( -18.401 0.000 -5.171) 19.114 3.441 ( -0.901 0.000 0.531) 1.046 3.529 ( 2.500 0.000 3.838) 4.580 3.669 ( -6.446 0.000 3.547) 7.358 4.000 ( -21.933 0.000 -13.865) 25.948 4.032 ( 3.012 0.000 4.194) 5.164 4.144 ( -1.946 0.000 -0.104) 1.948 4.177 ( 7.113 0.000 6.102) 9.372 4.343 ( -3.565 0.000 0.769) 3.647 4.380 ( 3.452 0.000 0.645) 3.512 4.640 ( 6.538 0.000 -2.642) 7.052 4.726 ( 5.707 0.000 7.635) 9.532 5.195 ( 5.860 0.000 -1.404) 6.026 5.468 ( -0.488 0.000 -2.679) 2.723 5.607 ( 5.259 0.000 9.097) 10.508 5.734 ( -16.205 0.000 -1.464) 16.271 5.991 ( -16.228 0.000 -8.264) 18.211 6.029 ( 7.986 0.000 -11.838) 14.280 6.138 ( -4.581 0.000 8.112) 9.316 6.249 ( -8.741 0.000 -3.056) 9.260 6.321 ( -5.616 0.000 -5.793) 8.068 6.455 ( -1.381 0.000 0.138) 1.388 6.606 ( -9.574 0.000 -3.541) 10.208 6.995 ( -3.496 0.000 -2.580) 4.345 7.159 ( 1.165 0.000 7.099) 7.194 7.251 ( 4.750 0.000 0.925) 4.839 7.322 ( -0.670 0.000 -1.700) 1.827 7.382 ( 1.192 0.000 -3.129) 3.349 7.494 ( -0.886 0.000 -2.822) 2.958 7.631 ( -1.328 0.000 0.116) 1.333 7.912 ( 10.525 0.000 1.729) 10.666 8.030 ( 5.871 0.000 -1.677) 6.106 8.084 ( 0.046 0.000 13.093) 13.093 8.405 ( -6.935 0.000 2.225) 7.283 8.614 ( -2.922 0.000 5.018) 5.807 8.709 ( 3.962 0.000 -2.455) 4.661 8.952 ( 0.077 0.000 0.116) 0.139 9.120 ( 2.983 0.000 6.282) 6.955 9.186 ( -1.785 0.000 -1.302) 2.209 9.368 ( 9.486 0.000 -0.279) 9.490 9.388 ( 6.712 0.000 1.710) 6.927 9.653 ( 1.161 0.000 -12.432) 12.486 9.986 ( -6.837 0.000 -0.733) 6.876 10.171 ( 8.826 0.000 -2.515) 9.178 10.647 ( -6.234 0.000 4.242) 7.540 10.661 ( -2.742 0.000 -0.608) 2.808 11.332 ( -7.824 0.000 -7.393) 10.764 11.351 ( 5.088 0.000 -0.173) 5.091 11.599 ( 9.646 0.000 5.449) 11.079 11.600 ( 6.664 0.000 8.730) 10.982 11.900 ( -1.942 0.000 -11.704) 11.864 12.035 ( -4.458 0.000 -3.327) 5.562 12.359 ( -1.143 0.000 -0.979) 1.505 12.791 ( 2.049 0.000 6.135) 6.468 12.902 ( -15.187 0.000 -1.679) 15.280 12.974 ( 2.630 0.000 6.618) 7.121 13.451 ( -2.613 0.000 -13.846) 14.091 13.535 ( 3.184 0.000 4.913) 5.854 13.694 ( -0.011 0.000 -4.409) 4.410 13.778 ( -0.345 0.000 -2.588) 2.611 14.066 ( 3.225 0.000 0.190) 3.230 14.260 ( 0.048 0.000 5.445) 5.445 14.700 ( -0.616 0.000 -0.216) 0.652 14.899 ( 10.517 0.000 -1.165) 10.581 15.231 ( -1.894 0.000 2.668) 3.272 15.561 ( 2.387 0.000 4.210) 4.839 15.622 ( -7.465 0.000 -3.937) 8.439 15.914 ( -6.816 0.000 5.859) 8.989 16.284 ( -2.296 0.000 3.268) 3.994 16.392 ( 3.631 0.000 3.967) 5.378 16.491 ( -0.361 0.000 -0.080) 0.370 16.664 ( 2.563 0.000 -0.469) 2.606 16.874 ( 4.569 0.000 -2.453) 5.186 17.105 ( -1.751 0.000 -1.969) 2.635 24.613 ( 6.411 0.000 0.508) 6.431 24.779 ( 0.257 0.000 5.189) 5.195 24.859 ( 3.226 0.000 -19.008) 19.279 24.874 ( -5.048 0.000 -0.758) 5.105 25.432 ( -1.475 0.000 -0.649) 1.611 25.503 ( -2.255 0.000 2.925) 3.693 25.748 ( 1.406 0.000 0.671) 1.558 25.817 ( 2.105 0.000 1.696) 2.704 27.015 ( -2.102 0.000 0.957) 2.310 27.365 ( 0.946 0.000 -0.717) 1.187 28.189 ( 3.316 0.000 -0.740) 3.397 28.584 ( -9.037 0.000 14.988) 17.502 29.513 ( 1.068 0.000 0.177) 1.082 29.881 ( 1.242 0.000 1.436) 1.899 30.645 ( -0.760 0.000 -0.165) 0.778 30.723 ( 1.023 0.000 -6.579) 6.658 ======================= Grid point 3 (4/104) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 0.000 0.000 -0.000) 0.000 1.593 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.397 ( -0.000 0.000 -0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.398 ( -0.000 0.000 -0.000) 0.000 3.433 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 -0.000) 0.000 3.666 ( -0.000 0.000 -0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.218 ( -0.000 0.000 -0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.273 ( 0.000 0.000 -0.000) 0.000 4.444 ( -0.000 0.000 -0.000) 0.000 4.701 ( 0.000 0.000 -0.000) 0.000 4.956 ( 0.000 0.000 -0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.246 ( 0.000 0.000 0.000) 0.000 5.499 ( 0.000 0.000 -0.000) 0.000 5.748 ( 0.000 0.000 -0.000) 0.000 5.916 ( 0.000 0.000 0.000) 0.000 6.064 ( -0.000 0.000 0.000) 0.000 6.080 ( 0.000 0.000 -0.000) 0.000 6.152 ( 0.000 0.000 -0.000) 0.000 6.247 ( -0.000 0.000 -0.000) 0.000 6.448 ( 0.000 0.000 -0.000) 0.000 6.475 ( 0.000 0.000 0.000) 0.000 6.960 ( 0.000 0.000 0.000) 0.000 7.192 ( 0.000 0.000 0.000) 0.000 7.307 ( 0.000 0.000 -0.000) 0.000 7.308 ( 0.000 0.000 0.000) 0.000 7.391 ( 0.000 0.000 -0.000) 0.000 7.473 ( 0.000 0.000 0.000) 0.000 7.621 ( 0.000 0.000 -0.000) 0.000 8.088 ( -0.000 0.000 0.000) 0.000 8.101 ( 0.000 0.000 0.000) 0.000 8.113 ( 0.000 0.000 -0.000) 0.000 8.246 ( 0.000 0.000 -0.000) 0.000 8.597 ( 0.000 0.000 -0.000) 0.000 8.799 ( 0.000 0.000 0.000) 0.000 8.914 ( 0.000 0.000 -0.000) 0.000 9.137 ( 0.000 0.000 0.000) 0.000 9.158 ( 0.000 0.000 0.000) 0.000 9.475 ( 0.000 0.000 0.000) 0.000 9.549 ( -0.000 0.000 -0.000) 0.000 9.575 ( 0.000 0.000 0.000) 0.000 9.909 ( 0.000 0.000 -0.000) 0.000 10.267 ( 0.000 0.000 0.000) 0.000 10.587 ( 0.000 0.000 -0.000) 0.000 10.630 ( 0.000 0.000 -0.000) 0.000 11.226 ( 0.000 0.000 -0.000) 0.000 11.397 ( 0.000 0.000 0.000) 0.000 11.747 ( 0.000 0.000 0.000) 0.000 11.750 ( -0.000 0.000 -0.000) 0.000 11.782 ( 0.000 0.000 0.000) 0.000 11.961 ( 0.000 0.000 -0.000) 0.000 12.345 ( 0.000 0.000 0.000) 0.000 12.738 ( 0.000 0.000 -0.000) 0.000 12.828 ( 0.000 0.000 0.000) 0.000 13.052 ( 0.000 0.000 0.000) 0.000 13.345 ( 0.000 0.000 -0.000) 0.000 13.606 ( 0.000 0.000 0.000) 0.000 13.669 ( -0.000 0.000 -0.000) 0.000 13.761 ( 0.000 0.000 0.000) 0.000 14.117 ( 0.000 0.000 0.000) 0.000 14.259 ( 0.000 0.000 0.000) 0.000 14.694 ( 0.000 0.000 -0.000) 0.000 15.044 ( -0.000 0.000 0.000) 0.000 15.175 ( 0.000 0.000 -0.000) 0.000 15.543 ( 0.000 0.000 -0.000) 0.000 15.603 ( 0.000 0.000 -0.000) 0.000 15.855 ( 0.000 0.000 0.000) 0.000 16.273 ( 0.000 0.000 -0.000) 0.000 16.434 ( 0.000 0.000 -0.000) 0.000 16.487 ( 0.000 0.000 -0.000) 0.000 16.694 ( 0.000 0.000 0.000) 0.000 16.911 ( 0.000 0.000 0.000) 0.000 17.079 ( 0.000 0.000 -0.000) 0.000 24.714 ( 0.000 0.000 0.000) 0.000 24.786 ( 0.000 0.000 -0.000) 0.000 24.810 ( 0.000 0.000 0.000) 0.000 24.824 ( 0.000 0.000 -0.000) 0.000 25.416 ( 0.000 0.000 0.000) 0.000 25.490 ( 0.000 0.000 -0.000) 0.000 25.763 ( 0.000 0.000 -0.000) 0.000 25.842 ( 0.000 0.000 0.000) 0.000 26.997 ( 0.000 0.000 0.000) 0.000 27.372 ( 0.000 0.000 0.000) 0.000 28.226 ( 0.000 0.000 -0.000) 0.000 28.531 ( 0.000 0.000 0.000) 0.000 29.524 ( 0.000 0.000 -0.000) 0.000 29.898 ( 0.000 0.000 0.000) 0.000 30.636 ( 0.000 0.000 -0.000) 0.000 30.715 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/104) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 0.000 35.209 0.000) 35.209 0.853 ( 0.000 39.966 0.000) 39.966 1.478 ( 0.000 68.308 0.000) 68.308 2.567 ( 0.000 3.924 0.000) 3.924 2.625 ( 0.000 33.422 0.000) 33.422 3.380 ( 0.000 4.064 0.000) 4.064 3.527 ( 0.000 12.379 0.000) 12.379 3.573 ( 0.000 -0.277 0.000) 0.277 3.726 ( 0.000 2.852 0.000) 2.852 3.819 ( 0.000 3.153 0.000) 3.153 3.903 ( 0.000 -0.673 0.000) 0.673 3.980 ( 0.000 -4.068 0.000) 4.068 4.043 ( 0.000 -2.618 0.000) 2.618 4.294 ( 0.000 -9.541 0.000) 9.541 4.357 ( 0.000 -9.094 0.000) 9.094 4.521 ( 0.000 0.259 0.000) 0.259 4.592 ( 0.000 14.190 0.000) 14.190 4.882 ( 0.000 7.833 0.000) 7.833 4.929 ( 0.000 -4.915 0.000) 4.915 5.449 ( 0.000 -8.825 0.000) 8.825 5.673 ( 0.000 -6.342 0.000) 6.342 5.716 ( 0.000 0.466 0.000) 0.466 5.882 ( 0.000 -17.625 0.000) 17.625 6.023 ( 0.000 9.190 0.000) 9.190 6.201 ( 0.000 -1.196 0.000) 1.196 6.518 ( 0.000 6.369 0.000) 6.369 6.522 ( 0.000 -15.364 0.000) 15.364 6.576 ( 0.000 -9.732 0.000) 9.732 6.816 ( 0.000 10.662 0.000) 10.662 6.865 ( 0.000 12.737 0.000) 12.737 7.002 ( 0.000 -7.795 0.000) 7.795 7.188 ( 0.000 -3.677 0.000) 3.677 7.463 ( 0.000 -11.487 0.000) 11.487 7.500 ( 0.000 2.857 0.000) 2.857 7.507 ( 0.000 0.897 0.000) 0.897 7.620 ( 0.000 5.497 0.000) 5.497 7.866 ( 0.000 3.515 0.000) 3.515 7.967 ( 0.000 15.291 0.000) 15.291 8.221 ( 0.000 -5.459 0.000) 5.459 8.337 ( 0.000 -7.033 0.000) 7.033 8.612 ( 0.000 0.954 0.000) 0.954 8.673 ( 0.000 -4.634 0.000) 4.634 8.792 ( 0.000 1.642 0.000) 1.642 8.876 ( 0.000 3.549 0.000) 3.549 9.135 ( 0.000 7.250 0.000) 7.250 9.270 ( 0.000 -4.211 0.000) 4.211 9.351 ( 0.000 -0.567 0.000) 0.567 9.618 ( 0.000 2.531 0.000) 2.531 9.977 ( 0.000 -3.444 0.000) 3.444 10.271 ( 0.000 5.630 0.000) 5.630 10.587 ( 0.000 -10.181 0.000) 10.181 10.853 ( 0.000 2.707 0.000) 2.707 10.948 ( 0.000 3.609 0.000) 3.609 11.141 ( 0.000 1.138 0.000) 1.138 11.225 ( 0.000 -4.005 0.000) 4.005 11.792 ( 0.000 1.751 0.000) 1.751 12.014 ( 0.000 3.818 0.000) 3.818 12.326 ( 0.000 -5.501 0.000) 5.501 12.701 ( 0.000 5.379 0.000) 5.379 12.749 ( 0.000 -4.634 0.000) 4.634 13.300 ( 0.000 -0.503 0.000) 0.503 13.334 ( 0.000 -12.626 0.000) 12.626 13.498 ( 0.000 -1.717 0.000) 1.717 13.540 ( 0.000 5.171 0.000) 5.171 13.790 ( 0.000 4.827 0.000) 4.827 13.878 ( 0.000 -0.573 0.000) 0.573 14.001 ( 0.000 -2.432 0.000) 2.432 14.110 ( 0.000 -19.172 0.000) 19.172 14.358 ( 0.000 -7.965 0.000) 7.965 14.734 ( 0.000 5.552 0.000) 5.552 14.937 ( 0.000 10.968 0.000) 10.968 15.088 ( 0.000 -9.601 0.000) 9.601 15.505 ( 0.000 -0.342 0.000) 0.342 16.064 ( 0.000 2.798 0.000) 2.798 16.266 ( 0.000 -7.468 0.000) 7.468 16.309 ( 0.000 16.006 0.000) 16.006 16.679 ( 0.000 4.140 0.000) 4.140 16.688 ( 0.000 1.637 0.000) 1.637 17.038 ( 0.000 -0.371 0.000) 0.371 17.130 ( 0.000 -3.020 0.000) 3.020 24.630 ( 0.000 -0.922 0.000) 0.922 24.661 ( 0.000 0.174 0.000) 0.174 24.783 ( 0.000 3.071 0.000) 3.071 24.979 ( 0.000 0.162 0.000) 0.162 25.360 ( 0.000 -2.024 0.000) 2.024 25.557 ( 0.000 4.441 0.000) 4.441 25.655 ( 0.000 -4.173 0.000) 4.173 25.789 ( 0.000 1.594 0.000) 1.594 27.049 ( 0.000 -1.253 0.000) 1.253 27.291 ( 0.000 5.928 0.000) 5.928 27.494 ( 0.000 -3.424 0.000) 3.424 28.076 ( 0.000 -3.844 0.000) 3.844 29.769 ( 0.000 -4.920 0.000) 4.920 30.137 ( 0.000 -12.823 0.000) 12.823 30.894 ( 0.000 14.893 0.000) 14.893 31.405 ( 0.000 4.266 0.000) 4.266 ======================= Grid point 8 (6/104) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 12.819 19.746 2.633) 23.689 1.034 ( 16.553 27.932 18.216) 37.229 1.902 ( 31.969 55.140 -4.325) 63.884 2.572 ( 0.210 3.778 5.760) 6.892 2.632 ( 0.576 31.138 0.769) 31.153 3.327 ( -13.065 0.727 -3.233) 13.479 3.400 ( -4.568 6.758 -4.371) 9.254 3.488 ( -9.629 0.247 1.862) 9.810 3.628 ( -0.139 12.228 4.736) 13.114 3.847 ( -6.201 1.891 6.849) 9.431 3.972 ( 3.475 -0.176 5.134) 6.202 4.006 ( 0.078 1.266 -6.506) 6.629 4.066 ( 4.504 -11.326 2.182) 12.383 4.214 ( -4.783 -1.446 0.362) 5.010 4.325 ( -3.513 -3.666 -3.358) 6.087 4.535 ( 3.457 1.552 1.544) 4.092 4.600 ( -0.778 11.246 1.547) 11.379 4.809 ( -5.437 1.798 -1.832) 6.012 4.867 ( 1.924 -1.902 -6.947) 7.455 5.464 ( -1.268 -6.613 8.906) 11.165 5.642 ( 2.490 -12.450 -9.826) 16.054 5.762 ( 0.535 5.476 3.551) 6.548 5.978 ( -1.994 14.144 1.712) 14.386 5.984 ( -0.607 -17.947 8.885) 20.035 6.270 ( 2.728 -9.750 2.247) 10.371 6.392 ( -9.317 -5.235 -6.818) 12.676 6.520 ( -6.184 1.706 2.494) 6.883 6.625 ( -0.348 -9.389 -3.961) 10.196 6.725 ( -4.084 9.203 -2.624) 10.405 6.854 ( -4.042 2.421 0.607) 4.751 6.963 ( 2.854 -5.589 3.358) 7.118 7.143 ( -0.563 -8.001 -9.275) 12.262 7.438 ( -2.873 4.123 -1.925) 5.381 7.469 ( 1.286 -2.562 -7.354) 7.893 7.571 ( 0.374 10.038 -0.484) 10.056 7.662 ( 7.742 -3.354 1.881) 8.645 7.837 ( -7.820 11.653 0.854) 14.059 7.898 ( 4.549 0.174 0.773) 4.618 8.150 ( -3.815 3.208 10.340) 11.479 8.420 ( -1.527 -0.135 3.110) 3.468 8.648 ( 6.903 -8.950 -1.210) 11.368 8.739 ( -5.470 1.661 13.696) 14.841 8.825 ( 1.827 5.442 3.874) 6.925 8.966 ( 11.000 -1.636 2.437) 11.385 9.170 ( 2.512 1.989 -2.771) 4.236 9.257 ( -0.750 -2.269 -1.311) 2.726 9.363 ( 3.848 0.625 -8.869) 9.688 9.638 ( 1.666 -0.759 -2.318) 2.954 9.970 ( 0.439 -4.329 -1.694) 4.669 10.236 ( -2.006 7.196 -0.933) 7.529 10.545 ( -4.763 -10.538 1.098) 11.616 10.821 ( -2.764 1.968 -0.882) 3.506 11.023 ( 6.951 -5.084 -1.561) 8.752 11.207 ( 8.284 -2.230 1.406) 8.693 11.402 ( 10.379 -0.247 3.219) 10.869 11.736 ( -6.187 0.698 1.725) 6.461 11.950 ( -3.933 3.373 -3.031) 6.002 12.288 ( -2.661 -2.782 -4.282) 5.758 12.560 ( -6.970 11.525 -12.916) 18.661 12.699 ( -6.830 -7.842 0.762) 10.427 13.048 ( -13.101 9.349 7.794) 17.883 13.235 ( -8.207 -2.962 -0.115) 8.726 13.430 ( 4.371 2.335 -2.327) 5.474 13.510 ( -6.547 -4.131 -2.665) 8.187 13.704 ( -0.112 2.113 -9.222) 9.462 13.839 ( 4.555 3.255 -3.275) 6.486 14.012 ( 0.608 -7.411 0.289) 7.442 14.196 ( -0.043 4.572 0.330) 4.584 14.542 ( 10.398 -19.899 12.185) 25.545 14.735 ( 0.496 0.823 -2.439) 2.622 14.989 ( 1.974 -11.000 -0.491) 11.186 15.261 ( -0.737 -5.340 11.369) 12.582 15.691 ( 15.603 -5.271 -1.899) 16.579 16.084 ( -0.165 4.112 6.054) 7.320 16.220 ( -3.280 -0.183 7.318) 8.021 16.318 ( -1.486 8.260 -0.406) 8.402 16.666 ( -1.440 2.405 0.213) 2.811 16.752 ( 6.801 2.655 -4.545) 8.600 16.877 ( -6.323 5.290 0.115) 8.245 17.200 ( 1.669 2.921 -3.242) 4.672 24.560 ( 0.653 2.976 1.611) 3.446 24.768 ( 2.164 -0.062 -0.891) 2.341 24.819 ( 6.434 -2.138 -16.016) 17.392 24.977 ( 0.273 1.210 -4.680) 4.842 25.413 ( 0.468 -4.734 6.229) 7.838 25.544 ( -0.802 2.839 2.333) 3.761 25.643 ( -0.498 -2.813 -0.040) 2.857 25.814 ( 1.704 1.592 2.023) 3.087 27.049 ( -1.687 -0.609 1.304) 2.217 27.357 ( 2.458 1.835 -0.137) 3.071 27.710 ( 12.667 -23.548 11.081) 28.944 28.146 ( 6.041 -7.054 6.583) 11.383 29.671 ( -8.157 -2.342 -3.068) 9.024 30.155 ( 0.800 -11.137 3.552) 11.717 30.708 ( -15.814 25.679 -2.307) 30.246 31.190 ( -6.650 18.397 -7.837) 21.074 ======================= Grid point 9 (7/104) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 29.394 -2.173 1.079) 29.494 1.453 ( 13.768 16.007 19.462) 28.715 2.268 ( 8.723 27.554 -5.584) 29.437 2.606 ( 0.238 15.088 -6.798) 16.550 2.824 ( 19.934 19.650 12.965) 30.848 2.969 ( -18.149 2.833 -3.135) 18.634 3.201 ( -12.704 12.529 -3.512) 18.185 3.441 ( -0.384 -0.364 4.499) 4.530 3.662 ( -5.355 7.098 2.412) 9.212 3.749 ( -3.432 10.197 3.449) 11.299 3.943 ( -3.890 -3.882 -3.485) 6.507 4.032 ( -1.580 -8.156 0.432) 8.319 4.071 ( 1.504 -8.456 4.722) 9.801 4.198 ( -2.028 7.340 -2.017) 7.878 4.280 ( 3.867 3.079 1.624) 5.203 4.485 ( -7.637 6.263 -8.481) 13.018 4.639 ( 3.326 0.603 0.781) 3.470 4.815 ( 4.648 3.489 8.402) 10.216 4.928 ( 6.686 -9.915 -1.452) 12.047 5.530 ( 2.038 -8.631 9.105) 12.711 5.614 ( -1.472 -12.211 -8.625) 15.023 5.740 ( -3.844 6.672 -2.629) 8.136 5.887 ( -8.835 -1.911 3.789) 9.801 6.021 ( -4.173 5.927 0.289) 7.254 6.133 ( -2.963 -0.313 0.278) 2.992 6.197 ( -8.338 -3.503 -5.618) 10.647 6.456 ( -3.649 -0.630 5.716) 6.811 6.511 ( -3.002 1.459 -12.866) 13.292 6.658 ( -2.937 12.583 0.060) 12.922 6.859 ( 2.385 -5.397 1.516) 6.093 7.046 ( -0.840 -9.546 0.488) 9.595 7.123 ( 4.103 -3.572 3.093) 6.258 7.368 ( -1.981 4.065 -6.701) 8.084 7.435 ( -1.159 -5.344 -4.521) 7.095 7.580 ( 2.220 5.751 -2.370) 6.604 7.724 ( -3.984 12.706 0.277) 13.319 7.858 ( 8.763 -4.661 0.178) 9.927 8.034 ( 9.303 0.622 1.074) 9.385 8.172 ( -0.687 5.025 11.748) 12.796 8.394 ( -1.764 -1.576 -2.125) 3.179 8.600 ( -8.843 0.719 4.373) 9.891 8.765 ( 2.899 -3.439 -3.008) 5.411 8.858 ( -0.697 0.111 5.094) 5.143 9.158 ( -1.452 -3.178 -2.270) 4.167 9.206 ( 1.607 5.740 4.579) 7.517 9.277 ( 10.657 -6.464 2.260) 12.667 9.422 ( 4.419 1.017 0.535) 4.566 9.620 ( -0.186 -3.802 -9.458) 10.195 9.959 ( -1.416 -2.511 -0.481) 2.923 10.245 ( 3.910 6.172 -1.799) 7.524 10.447 ( -6.093 -10.435 2.160) 12.275 10.776 ( -1.754 3.320 -0.288) 3.766 11.130 ( 5.308 -7.954 -1.845) 9.739 11.320 ( -3.438 -1.086 -1.590) 3.941 11.516 ( 8.489 0.131 2.485) 8.846 11.747 ( 3.911 -1.422 6.834) 8.001 11.867 ( -3.972 0.883 -2.488) 4.770 12.213 ( -1.976 6.266 -4.615) 8.029 12.417 ( -3.400 6.710 -5.208) 9.149 12.558 ( -9.129 -13.630 1.031) 16.437 12.976 ( 0.023 2.076 5.497) 5.876 13.126 ( -3.823 7.877 2.468) 9.097 13.326 ( -6.542 -11.157 -10.622) 16.736 13.539 ( 3.615 1.655 0.155) 3.979 13.667 ( -0.637 2.588 -0.926) 2.822 13.874 ( 1.323 1.009 -4.143) 4.465 14.049 ( 3.637 -4.903 2.038) 6.436 14.203 ( -1.218 0.494 1.068) 1.694 14.718 ( 0.270 -1.035 2.324) 2.559 14.790 ( 8.949 -12.262 5.234) 16.057 15.028 ( 3.427 -14.126 -4.392) 15.185 15.205 ( -7.359 -4.765 3.772) 9.544 15.851 ( 4.820 2.571 -3.887) 6.704 16.095 ( -3.519 7.857 8.698) 12.238 16.227 ( -0.854 0.290 3.609) 3.720 16.290 ( 0.165 2.312 1.727) 2.890 16.621 ( -2.390 1.109 -1.006) 2.821 16.848 ( 2.958 -1.921 -1.810) 3.964 16.871 ( 5.402 13.359 -0.225) 14.411 17.167 ( -2.599 5.753 -3.171) 7.065 24.628 ( 5.018 1.141 0.615) 5.183 24.793 ( 0.541 -0.911 -1.808) 2.095 24.820 ( 0.408 0.796 -1.585) 1.820 24.931 ( -1.347 3.290 -7.603) 8.393 25.410 ( -1.432 -1.575 0.693) 2.239 25.550 ( -0.598 3.427 2.326) 4.185 25.653 ( 1.154 -5.738 0.188) 5.856 25.856 ( 1.492 1.297 1.472) 2.464 27.015 ( -1.990 0.065 0.716) 2.116 27.384 ( 1.029 1.882 -0.601) 2.228 27.881 ( 3.328 -23.357 3.001) 23.783 28.311 ( 5.169 -13.713 7.864) 16.631 29.513 ( -5.766 -0.307 -2.770) 6.405 30.196 ( 1.370 -13.104 3.680) 13.680 30.476 ( -6.934 28.967 -3.429) 29.982 31.108 ( -1.237 16.955 -2.885) 17.243 ======================= Grid point 10 (8/104) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -0.000 -3.399 0.000) 3.399 1.610 ( 0.000 13.704 0.000) 13.704 2.346 ( -0.000 2.845 -0.000) 2.845 2.521 ( 0.000 21.198 0.000) 21.198 2.799 ( 0.000 3.975 0.000) 3.975 3.030 ( 0.000 21.822 0.000) 21.822 3.198 ( 0.000 8.378 -0.000) 8.378 3.450 ( -0.000 0.816 0.000) 0.816 3.470 ( 0.000 7.137 0.000) 7.137 3.738 ( -0.000 10.804 0.000) 10.804 3.931 ( -0.000 7.851 -0.000) 7.851 3.953 ( 0.000 -12.112 0.000) 12.112 4.150 ( 0.000 0.127 -0.000) 0.127 4.193 ( -0.000 2.557 0.000) 2.557 4.337 ( 0.000 3.974 0.000) 3.974 4.345 ( -0.000 0.266 -0.000) 0.266 4.675 ( 0.000 -7.481 0.000) 7.481 4.908 ( -0.000 -1.755 0.000) 1.755 5.095 ( 0.000 -4.792 -0.000) 4.792 5.328 ( 0.000 4.156 0.000) 4.156 5.650 ( 0.000 -12.399 0.000) 12.399 5.755 ( -0.000 -8.082 0.000) 8.082 5.795 ( 0.000 11.967 -0.000) 11.967 5.958 ( 0.000 -0.139 -0.000) 0.139 6.053 ( 0.000 3.734 0.000) 3.734 6.185 ( 0.000 -1.017 -0.000) 1.017 6.383 ( 0.000 -4.900 0.000) 4.900 6.473 ( 0.000 9.219 -0.000) 9.219 6.630 ( 0.000 15.060 -0.000) 15.060 6.893 ( 0.000 -5.919 -0.000) 5.919 7.024 ( 0.000 -6.005 -0.000) 6.005 7.209 ( 0.000 -3.740 -0.000) 3.740 7.308 ( 0.000 -1.380 -0.000) 1.380 7.408 ( 0.000 -5.059 0.000) 5.059 7.602 ( 0.000 1.440 -0.000) 1.440 7.692 ( -0.000 15.272 0.000) 15.272 7.935 ( 0.000 -8.642 -0.000) 8.642 8.172 ( 0.000 6.843 -0.000) 6.843 8.221 ( 0.000 4.047 0.000) 4.047 8.328 ( 0.000 4.866 -0.000) 4.866 8.511 ( 0.000 -6.995 -0.000) 6.995 8.799 ( 0.000 -7.606 -0.000) 7.606 8.844 ( -0.000 2.621 0.000) 2.621 9.132 ( 0.000 -3.186 -0.000) 3.186 9.201 ( 0.000 5.141 -0.000) 5.141 9.433 ( 0.000 -3.728 -0.000) 3.728 9.524 ( -0.000 -2.039 -0.000) 2.039 9.535 ( 0.000 -5.441 0.000) 5.441 9.939 ( 0.000 1.117 0.000) 1.117 10.306 ( 0.000 4.606 -0.000) 4.606 10.373 ( 0.000 -11.930 0.000) 11.930 10.757 ( 0.000 4.358 0.000) 4.358 11.198 ( -0.000 -6.969 0.000) 6.969 11.222 ( 0.000 -0.205 -0.000) 0.205 11.717 ( 0.000 -5.683 0.000) 5.683 11.724 ( -0.000 -0.476 -0.000) 0.476 11.837 ( -0.000 2.819 0.000) 2.819 12.182 ( 0.000 12.149 -0.000) 12.149 12.373 ( 0.000 2.859 0.000) 2.859 12.446 ( 0.000 -15.629 -0.000) 15.629 13.039 ( 0.000 0.739 0.000) 0.739 13.101 ( 0.000 10.785 -0.000) 10.785 13.197 ( 0.000 -14.274 0.000) 14.274 13.562 ( 0.000 -1.885 -0.000) 1.885 13.672 ( -0.000 5.589 -0.000) 5.589 13.871 ( 0.000 0.218 0.000) 0.218 14.126 ( -0.000 -9.181 -0.000) 9.181 14.161 ( 0.000 4.203 0.000) 4.203 14.720 ( 0.000 1.102 0.000) 1.102 14.937 ( 0.000 -23.510 0.000) 23.510 15.044 ( -0.000 -0.598 0.000) 0.598 15.107 ( 0.000 -8.323 -0.000) 8.323 15.884 ( 0.000 3.802 0.000) 3.802 16.070 ( 0.000 16.291 0.000) 16.291 16.227 ( 0.000 -6.659 0.000) 6.659 16.310 ( 0.000 3.219 -0.000) 3.219 16.592 ( 0.000 0.260 0.000) 0.260 16.872 ( 0.000 -2.922 0.000) 2.922 16.945 ( 0.000 18.301 0.000) 18.301 17.116 ( -0.000 2.886 -0.000) 2.886 24.706 ( -0.000 -0.498 -0.000) 0.498 24.760 ( 0.000 -1.633 0.000) 1.633 24.848 ( 0.000 2.800 -0.000) 2.800 24.875 ( 0.000 4.336 0.000) 4.336 25.396 ( -0.000 -0.953 0.000) 0.953 25.549 ( 0.000 4.444 -0.000) 4.444 25.667 ( 0.000 -6.773 0.000) 6.773 25.875 ( 0.000 1.108 0.000) 1.108 26.997 ( 0.000 0.111 -0.000) 0.111 27.392 ( 0.000 1.859 0.000) 1.859 27.915 ( 0.000 -21.875 -0.000) 21.875 28.380 ( 0.000 -13.312 0.000) 13.312 29.452 ( 0.000 -1.129 -0.000) 1.129 30.225 ( 0.000 -19.272 -0.000) 19.272 30.402 ( 0.000 33.147 0.000) 33.147 31.090 ( 0.000 16.480 -0.000) 16.480 ======================= Grid point 14 (9/104) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 0.000 34.936 0.000) 34.936 1.654 ( 0.000 36.254 0.000) 36.254 2.630 ( 0.000 2.744 0.000) 2.744 2.789 ( 0.000 50.210 0.000) 50.210 3.293 ( 0.000 25.191 0.000) 25.191 3.329 ( 0.000 -8.079 0.000) 8.079 3.545 ( 0.000 -2.181 0.000) 2.181 3.693 ( 0.000 -5.918 0.000) 5.918 3.815 ( 0.000 3.618 0.000) 3.618 3.876 ( 0.000 1.572 0.000) 1.572 3.901 ( 0.000 1.405 0.000) 1.405 3.928 ( 0.000 13.220 0.000) 13.220 4.162 ( 0.000 10.226 0.000) 10.226 4.202 ( 0.000 -3.167 0.000) 3.167 4.263 ( 0.000 1.667 0.000) 1.667 4.542 ( 0.000 5.014 0.000) 5.014 4.773 ( 0.000 -0.465 0.000) 0.465 4.802 ( 0.000 2.073 0.000) 2.073 5.137 ( 0.000 3.191 0.000) 3.191 5.200 ( 0.000 -16.808 0.000) 16.808 5.431 ( 0.000 -3.154 0.000) 3.154 5.581 ( 0.000 -0.643 0.000) 0.643 5.663 ( 0.000 -10.580 0.000) 10.580 6.205 ( 0.000 -15.493 0.000) 15.493 6.207 ( 0.000 6.797 0.000) 6.797 6.331 ( 0.000 -11.266 0.000) 11.266 6.367 ( 0.000 7.571 0.000) 7.571 6.652 ( 0.000 4.860 0.000) 4.860 6.673 ( 0.000 -18.203 0.000) 18.203 6.997 ( 0.000 7.915 0.000) 7.915 7.074 ( 0.000 -0.203 0.000) 0.203 7.149 ( 0.000 2.821 0.000) 2.821 7.264 ( 0.000 -4.730 0.000) 4.730 7.513 ( 0.000 -0.003 0.000) 0.003 7.581 ( 0.000 4.788 0.000) 4.788 7.692 ( 0.000 -0.323 0.000) 0.323 7.952 ( 0.000 3.243 0.000) 3.243 8.141 ( 0.000 -0.819 0.000) 0.819 8.164 ( 0.000 -5.107 0.000) 5.107 8.265 ( 0.000 9.702 0.000) 9.702 8.570 ( 0.000 -2.027 0.000) 2.027 8.620 ( 0.000 -1.089 0.000) 1.089 8.872 ( 0.000 5.009 0.000) 5.009 8.985 ( 0.000 5.849 0.000) 5.849 9.042 ( 0.000 -11.067 0.000) 11.067 9.327 ( 0.000 -2.448 0.000) 2.448 9.404 ( 0.000 11.596 0.000) 11.596 9.650 ( 0.000 1.095 0.000) 1.095 9.911 ( 0.000 -2.836 0.000) 2.836 10.334 ( 0.000 -13.577 0.000) 13.577 10.411 ( 0.000 7.848 0.000) 7.848 10.863 ( 0.000 -1.861 0.000) 1.861 11.036 ( 0.000 2.982 0.000) 2.982 11.132 ( 0.000 -4.022 0.000) 4.022 11.216 ( 0.000 7.773 0.000) 7.773 11.842 ( 0.000 1.724 0.000) 1.724 12.073 ( 0.000 0.802 0.000) 0.802 12.218 ( 0.000 -4.436 0.000) 4.436 12.612 ( 0.000 -6.615 0.000) 6.615 12.834 ( 0.000 7.411 0.000) 7.411 13.034 ( 0.000 -15.093 0.000) 15.093 13.325 ( 0.000 0.397 0.000) 0.397 13.428 ( 0.000 -3.259 0.000) 3.259 13.639 ( 0.000 -11.356 0.000) 11.356 13.675 ( 0.000 -10.695 0.000) 10.695 13.701 ( 0.000 -1.755 0.000) 1.755 13.871 ( 0.000 2.376 0.000) 2.376 14.154 ( 0.000 9.474 0.000) 9.474 14.232 ( 0.000 -3.683 0.000) 3.683 14.852 ( 0.000 1.979 0.000) 1.979 14.876 ( 0.000 -6.493 0.000) 6.493 15.088 ( 0.000 3.032 0.000) 3.032 15.566 ( 0.000 4.984 0.000) 4.984 16.004 ( 0.000 -8.076 0.000) 8.076 16.297 ( 0.000 10.229 0.000) 10.229 16.545 ( 0.000 5.509 0.000) 5.509 16.714 ( 0.000 -0.778 0.000) 0.778 16.785 ( 0.000 7.867 0.000) 7.867 17.027 ( 0.000 -6.944 0.000) 6.944 17.037 ( 0.000 0.098 0.000) 0.098 24.619 ( 0.000 -0.045 0.000) 0.045 24.661 ( 0.000 -0.300 0.000) 0.300 24.856 ( 0.000 3.623 0.000) 3.623 24.981 ( 0.000 -0.045 0.000) 0.045 25.339 ( 0.000 0.219 0.000) 0.219 25.559 ( 0.000 -4.911 0.000) 4.911 25.652 ( 0.000 4.369 0.000) 4.369 25.805 ( 0.000 -0.058 0.000) 0.058 27.051 ( 0.000 1.710 0.000) 1.710 27.393 ( 0.000 -6.083 0.000) 6.083 27.436 ( 0.000 7.692 0.000) 7.692 27.957 ( 0.000 -7.263 0.000) 7.263 29.672 ( 0.000 -3.357 0.000) 3.357 29.893 ( 0.000 -10.044 0.000) 10.044 31.192 ( 0.000 12.832 0.000) 12.832 31.491 ( 0.000 3.122 0.000) 3.122 ======================= Grid point 15 (10/104) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -8.255 33.748 -3.340) 34.903 1.679 ( 5.076 30.971 12.493) 33.779 2.598 ( -4.635 1.061 3.124) 5.689 2.954 ( 5.877 22.667 -10.209) 25.545 3.242 ( 5.766 32.256 4.596) 33.088 3.353 ( -6.241 2.409 -1.889) 6.951 3.456 ( -5.239 1.840 -0.391) 5.566 3.622 ( -5.900 6.221 -4.368) 9.623 3.640 ( -5.268 -6.302 -2.944) 8.725 3.812 ( -0.505 -3.547 -0.939) 3.704 3.934 ( -2.389 3.511 2.109) 4.741 4.098 ( -7.356 2.881 1.324) 8.010 4.177 ( 7.657 13.038 10.709) 18.529 4.207 ( 2.079 6.298 -3.647) 7.569 4.266 ( 5.561 -3.988 0.626) 6.872 4.555 ( 1.951 4.381 -2.580) 5.445 4.699 ( -3.925 4.094 -1.730) 5.930 4.842 ( 1.798 4.556 0.795) 4.962 5.048 ( -4.608 3.461 -4.982) 7.618 5.233 ( -2.579 -15.848 2.066) 16.189 5.418 ( 2.067 -2.101 -3.569) 4.629 5.584 ( -2.113 -9.214 12.204) 15.437 5.737 ( 4.490 -8.196 3.950) 10.146 6.154 ( -5.491 -6.587 3.176) 9.145 6.255 ( -0.234 0.780 -5.321) 5.383 6.303 ( 3.986 2.555 5.168) 7.009 6.416 ( -0.847 -5.448 -4.746) 7.275 6.597 ( 7.001 -6.404 -0.508) 9.501 6.775 ( -6.965 6.328 1.140) 9.480 6.894 ( 1.858 1.555 -8.514) 8.852 6.937 ( -11.483 -1.475 0.685) 11.598 7.108 ( 0.606 3.985 1.592) 4.334 7.389 ( 1.846 -7.282 1.139) 7.599 7.473 ( 4.051 1.132 -4.630) 6.255 7.599 ( -0.906 0.035 -0.669) 1.127 7.715 ( 2.139 4.554 -2.399) 5.574 7.945 ( 1.007 3.983 -4.929) 6.416 8.100 ( -3.374 7.960 10.297) 13.446 8.222 ( 0.710 6.402 -0.376) 6.452 8.354 ( 6.516 -6.611 4.430) 10.285 8.478 ( -2.946 -1.894 -3.699) 5.094 8.724 ( 3.447 -4.369 10.909) 12.246 8.931 ( 2.928 4.422 -1.549) 5.525 8.977 ( 0.681 3.380 -0.054) 3.448 9.037 ( 0.226 -10.935 -2.138) 11.145 9.323 ( 0.489 -3.028 -3.320) 4.520 9.405 ( -0.154 8.676 2.172) 8.945 9.625 ( -2.427 0.524 -2.486) 3.513 9.896 ( -0.508 -2.577 -0.056) 2.627 10.290 ( -4.609 -10.376 1.222) 11.419 10.416 ( 1.373 6.905 -1.651) 7.231 10.827 ( -1.914 -1.405 -2.071) 3.151 11.061 ( 2.195 4.587 0.473) 5.107 11.169 ( 6.381 -1.118 0.151) 6.480 11.392 ( 12.294 0.719 5.069) 13.317 11.760 ( -9.007 1.346 -0.824) 9.144 11.995 ( -7.020 0.237 -0.305) 7.030 12.217 ( 0.763 -3.639 -1.330) 3.949 12.500 ( -10.225 -8.295 -0.308) 13.170 12.755 ( -5.761 8.696 -7.145) 12.643 13.017 ( -1.159 -15.452 -2.606) 15.712 13.143 ( -12.910 0.335 -4.887) 13.808 13.384 ( -1.978 -2.293 -1.105) 3.224 13.545 ( -1.723 -3.027 4.686) 5.839 13.652 ( -3.764 -7.402 -3.814) 9.138 13.777 ( 2.465 -7.617 -2.249) 8.316 13.934 ( 4.826 5.131 0.658) 7.074 14.244 ( 2.000 -0.780 0.766) 2.279 14.337 ( 11.447 3.313 10.983) 16.206 14.764 ( -2.957 0.997 -3.876) 4.976 14.866 ( 0.378 -3.282 -3.651) 4.924 15.161 ( -1.314 -4.627 6.772) 8.307 15.704 ( 12.114 4.081 3.384) 13.223 16.071 ( 4.546 -7.084 6.231) 10.472 16.251 ( -4.233 9.673 1.986) 10.744 16.523 ( -2.728 5.963 -3.246) 7.317 16.681 ( -2.245 -1.828 -2.410) 3.767 16.823 ( 0.187 4.064 1.442) 4.316 16.922 ( 2.630 1.548 -0.980) 3.205 17.216 ( 8.534 -1.213 -2.281) 8.917 24.606 ( 0.677 1.642 0.792) 1.944 24.720 ( 4.729 -2.493 -5.432) 7.621 24.863 ( 0.445 3.790 1.453) 4.083 24.998 ( 1.674 0.692 -1.532) 2.372 25.351 ( 0.437 -1.064 2.968) 3.183 25.537 ( -1.509 -3.850 -0.416) 4.156 25.657 ( 0.014 3.841 0.563) 3.882 25.824 ( 1.377 -0.469 1.353) 1.986 27.049 ( -0.717 1.262 0.447) 1.519 27.407 ( 1.403 -6.105 -0.229) 6.268 27.454 ( 1.858 2.890 0.305) 3.449 27.978 ( 1.503 -9.193 2.284) 9.590 29.619 ( -4.605 -1.585 -1.577) 5.119 29.896 ( 0.027 -10.842 0.595) 10.858 31.141 ( -5.024 16.022 0.401) 16.796 31.437 ( -3.531 6.567 -2.496) 7.863 ======================= Grid point 16 (11/104) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 12.511 17.338 0.507) 21.387 1.867 ( 2.451 19.724 13.862) 24.232 2.505 ( -4.877 0.554 3.372) 5.955 2.865 ( -4.880 8.978 -6.621) 12.176 3.016 ( -16.853 1.873 -3.005) 17.221 3.366 ( -4.068 -0.886 -3.926) 5.723 3.493 ( 7.246 17.112 0.030) 18.583 3.575 ( 0.667 16.916 -1.848) 17.030 3.666 ( -2.225 -14.719 -3.664) 15.330 3.701 ( 0.862 0.043 3.116) 3.233 3.895 ( -3.119 12.293 -3.085) 13.052 3.966 ( -5.420 4.340 -1.095) 7.029 4.190 ( -0.157 6.923 4.712) 8.376 4.312 ( 6.423 -0.446 1.834) 6.695 4.454 ( 5.126 14.584 2.362) 15.638 4.491 ( -3.769 0.431 -6.479) 7.508 4.762 ( 4.957 11.436 1.461) 12.549 4.824 ( -0.434 1.258 1.741) 2.191 4.965 ( -0.972 5.933 1.765) 6.266 5.225 ( 2.840 -13.310 -4.102) 14.214 5.474 ( 3.320 -5.361 4.216) 7.586 5.570 ( -6.791 -14.340 10.788) 19.187 5.784 ( -1.551 -2.702 -1.893) 3.645 6.051 ( -5.816 -1.701 -1.071) 6.153 6.207 ( -2.799 1.099 -1.776) 3.492 6.337 ( -1.977 1.432 -4.104) 4.775 6.426 ( 3.053 9.492 10.696) 14.623 6.591 ( -2.021 2.751 -8.209) 8.890 6.803 ( -2.205 -0.801 2.973) 3.787 6.818 ( 6.712 -7.096 3.112) 10.251 6.935 ( 3.569 8.324 -3.070) 9.563 7.119 ( 0.556 -1.853 -1.561) 2.486 7.302 ( -5.540 -1.369 -3.151) 6.519 7.480 ( -4.935 5.501 -1.691) 7.581 7.622 ( 0.795 0.141 0.078) 0.811 7.746 ( 4.502 -4.205 -4.201) 7.456 7.992 ( 5.694 3.470 -5.650) 8.740 8.118 ( 4.333 12.261 3.370) 13.433 8.262 ( 0.941 4.436 10.067) 11.042 8.371 ( -0.884 0.365 -6.494) 6.564 8.470 ( -3.609 -11.890 3.490) 12.907 8.748 ( -4.146 2.992 6.154) 8.001 8.918 ( -3.015 1.719 -1.952) 3.982 9.025 ( -0.450 -8.616 0.452) 8.640 9.106 ( 10.585 -8.376 3.221) 13.877 9.306 ( -0.406 -2.870 -2.843) 4.060 9.418 ( -0.345 1.719 1.426) 2.260 9.550 ( -2.476 -0.084 -4.940) 5.527 9.913 ( 1.747 -1.098 0.581) 2.143 10.200 ( -4.943 -8.812 1.092) 10.163 10.442 ( 1.592 8.226 -0.873) 8.424 10.799 ( -0.062 -0.838 -1.556) 1.768 11.126 ( 4.523 4.881 0.572) 6.679 11.314 ( 4.353 0.922 1.391) 4.662 11.524 ( -2.903 0.613 -4.182) 5.128 11.669 ( 6.105 -3.806 5.088) 8.812 11.874 ( -4.434 -1.209 0.155) 4.598 12.241 ( -1.082 -6.724 3.855) 7.826 12.296 ( -8.111 -4.689 -1.911) 9.562 12.590 ( -7.360 7.671 -7.269) 12.878 12.908 ( -6.027 -12.724 -3.028) 14.401 13.004 ( -2.410 -8.364 -2.913) 9.179 13.319 ( -2.616 4.832 -0.594) 5.527 13.561 ( -2.213 -3.238 -3.776) 5.444 13.621 ( 3.016 -8.074 8.390) 12.028 13.775 ( -0.109 -6.558 -5.535) 8.583 14.020 ( 3.556 6.378 1.657) 7.488 14.277 ( 0.671 4.080 0.049) 4.136 14.576 ( 7.419 -1.321 8.379) 11.269 14.730 ( -0.299 -0.533 -0.851) 1.048 14.873 ( 3.668 -4.640 -4.928) 7.699 15.099 ( -6.717 -5.606 3.011) 9.252 15.934 ( 9.416 5.019 2.858) 11.046 16.145 ( -1.335 0.202 3.892) 4.120 16.243 ( 1.731 2.880 5.819) 6.720 16.417 ( -4.540 4.313 -3.725) 7.286 16.627 ( -2.246 -0.461 -2.848) 3.656 16.809 ( -0.185 -2.202 -0.988) 2.421 17.063 ( 8.898 7.052 1.488) 11.451 17.293 ( 1.138 4.247 -3.026) 5.338 24.651 ( 3.186 0.976 0.252) 3.342 24.746 ( 0.813 -2.301 -4.018) 4.702 24.891 ( 1.098 4.557 3.862) 6.074 25.002 ( 0.218 3.182 -4.421) 5.451 25.374 ( 0.228 -1.664 1.936) 2.563 25.520 ( -0.313 -5.059 0.588) 5.102 25.654 ( -0.333 4.422 0.112) 4.436 25.858 ( 1.191 -1.033 1.224) 1.996 27.026 ( -1.483 1.398 0.000) 2.038 27.429 ( 0.864 -2.162 -0.249) 2.342 27.498 ( 2.177 -8.009 0.297) 8.305 28.025 ( 1.756 -13.709 2.461) 14.038 29.521 ( -4.161 1.448 -1.478) 4.647 29.897 ( -0.233 -11.968 0.441) 11.979 31.050 ( -4.057 21.404 0.209) 21.786 31.375 ( -1.764 8.537 -1.595) 8.862 ======================= Grid point 17 (12/104) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.000 7.528 0.000) 7.528 1.830 ( 0.000 6.684 0.000) 6.684 2.509 ( -0.000 11.098 -0.000) 11.098 2.764 ( 0.000 6.113 -0.000) 6.113 2.847 ( 0.000 1.872 -0.000) 1.872 3.310 ( 0.000 -1.638 0.000) 1.638 3.469 ( -0.000 0.725 0.000) 0.725 3.627 ( 0.000 -3.906 0.000) 3.906 3.679 ( -0.000 -15.541 -0.000) 15.541 3.699 ( 0.000 8.617 0.000) 8.617 3.851 ( 0.000 38.585 0.000) 38.585 3.891 ( -0.000 2.368 0.000) 2.368 4.228 ( 0.000 1.144 -0.000) 1.144 4.378 ( -0.000 -11.544 -0.000) 11.544 4.470 ( 0.000 16.654 -0.000) 16.654 4.471 ( -0.000 11.552 0.000) 11.552 4.744 ( -0.000 25.399 0.000) 25.399 4.845 ( 0.000 -9.043 -0.000) 9.043 5.094 ( -0.000 6.957 0.000) 6.957 5.237 ( 0.000 -9.933 -0.000) 9.933 5.410 ( 0.000 -10.280 -0.000) 10.280 5.596 ( 0.000 -17.346 -0.000) 17.346 5.736 ( 0.000 1.800 0.000) 1.800 5.975 ( 0.000 4.369 0.000) 4.369 6.172 ( 0.000 -1.340 -0.000) 1.340 6.318 ( 0.000 8.848 -0.000) 8.848 6.489 ( -0.000 14.672 0.000) 14.672 6.568 ( 0.000 -2.013 -0.000) 2.013 6.760 ( 0.000 -5.540 -0.000) 5.540 6.898 ( 0.000 7.983 -0.000) 7.983 7.010 ( 0.000 3.517 -0.000) 3.517 7.118 ( -0.000 -12.102 -0.000) 12.102 7.216 ( 0.000 4.218 -0.000) 4.218 7.413 ( 0.000 4.049 -0.000) 4.049 7.618 ( 0.000 2.403 -0.000) 2.403 7.775 ( 0.000 -6.259 0.000) 6.259 8.031 ( 0.000 13.965 0.000) 13.965 8.287 ( 0.000 -0.088 -0.000) 0.088 8.316 ( -0.000 -1.695 0.000) 1.695 8.335 ( 0.852 -3.074 -10.561) 11.033 8.335 ( -0.852 0.342 10.561) 10.601 8.733 ( 0.000 2.260 0.000) 2.260 8.863 ( 0.000 -2.059 0.000) 2.059 9.018 ( -0.000 -6.214 0.000) 6.214 9.259 ( 0.000 -7.107 -0.000) 7.107 9.285 ( 0.000 -10.867 -0.000) 10.867 9.399 ( 0.000 0.786 -0.000) 0.786 9.513 ( -0.000 1.206 0.000) 1.206 9.938 ( 0.000 -0.255 -0.000) 0.255 10.150 ( 0.000 -8.601 0.000) 8.601 10.455 ( 0.000 8.549 -0.000) 8.549 10.797 ( 0.000 -0.291 0.000) 0.291 11.233 ( -0.000 1.680 -0.000) 1.680 11.236 ( 0.000 8.986 0.000) 8.986 11.562 ( 0.000 -7.940 0.000) 7.940 11.732 ( -0.000 0.719 0.000) 0.719 11.860 ( -0.000 -0.831 0.000) 0.831 12.133 ( 0.000 -13.377 -0.000) 13.377 12.322 ( -0.000 1.513 -0.000) 1.513 12.462 ( 0.000 4.831 0.000) 4.831 12.844 ( 0.000 -17.111 0.000) 17.111 12.970 ( -0.000 -6.602 0.000) 6.602 13.296 ( 0.000 7.078 -0.000) 7.078 13.528 ( 0.000 -4.028 0.000) 4.028 13.712 ( -0.000 -10.105 -0.000) 10.105 13.724 ( 0.000 -3.526 0.000) 3.526 14.063 ( 0.000 5.837 0.000) 5.837 14.277 ( 0.000 6.237 -0.000) 6.237 14.673 ( -0.000 -3.243 -0.000) 3.243 14.722 ( 0.000 -0.629 0.000) 0.629 14.939 ( -0.000 -7.067 0.000) 7.067 14.999 ( 0.000 -3.677 -0.000) 3.677 16.038 ( -0.000 10.279 0.000) 10.279 16.157 ( 0.000 -0.791 0.000) 0.791 16.233 ( 0.000 1.318 -0.000) 1.318 16.393 ( -0.000 3.054 0.000) 3.054 16.586 ( 0.000 -0.144 0.000) 0.144 16.807 ( -0.000 -3.550 0.000) 3.550 17.191 ( 0.000 4.508 0.000) 4.508 17.256 ( -0.000 10.000 0.000) 10.000 24.698 ( -0.000 -0.252 -0.000) 0.252 24.727 ( 0.000 -1.365 0.000) 1.365 24.925 ( 0.000 4.545 -0.000) 4.545 24.979 ( 0.000 4.966 0.000) 4.966 25.379 ( -0.000 -0.906 -0.000) 0.906 25.522 ( 0.000 -6.635 0.000) 6.635 25.651 ( 0.000 4.993 0.000) 4.993 25.873 ( 0.000 -1.239 0.000) 1.239 27.010 ( 0.000 1.486 -0.000) 1.486 27.436 ( 0.000 -0.789 0.000) 0.789 27.521 ( 0.000 -11.521 -0.000) 11.521 28.051 ( 0.000 -16.198 0.000) 16.198 29.475 ( 0.000 2.794 -0.000) 2.794 29.895 ( 0.000 -12.402 0.000) 12.402 31.012 ( 0.000 23.189 -0.000) 23.189 31.355 ( 0.000 8.762 -0.000) 8.762 ======================= Grid point 21 (13/104) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 0.000 27.416 0.000) 27.416 2.351 ( 0.000 29.971 0.000) 29.971 2.510 ( 0.000 -14.299 0.000) 14.299 2.891 ( 0.000 -21.371 0.000) 21.371 3.456 ( 0.000 -1.385 0.000) 1.385 3.463 ( 0.000 -0.553 0.000) 0.553 3.699 ( 0.000 11.149 0.000) 11.149 3.821 ( 0.000 -1.017 0.000) 1.017 3.916 ( 0.000 25.905 0.000) 25.905 3.941 ( 0.000 4.615 0.000) 4.615 3.988 ( 0.000 6.058 0.000) 6.058 4.074 ( 0.000 -0.716 0.000) 0.716 4.137 ( 0.000 -4.876 0.000) 4.876 4.303 ( 0.000 -1.825 0.000) 1.825 4.333 ( 0.000 8.782 0.000) 8.782 4.617 ( 0.000 -16.334 0.000) 16.334 4.817 ( 0.000 11.186 0.000) 11.186 4.910 ( 0.000 -6.937 0.000) 6.937 4.918 ( 0.000 15.986 0.000) 15.986 5.135 ( 0.000 9.740 0.000) 9.740 5.343 ( 0.000 -18.991 0.000) 18.991 5.522 ( 0.000 -6.163 0.000) 6.163 5.740 ( 0.000 8.202 0.000) 8.202 5.810 ( 0.000 -11.172 0.000) 11.172 6.200 ( 0.000 -1.246 0.000) 1.246 6.281 ( 0.000 -4.320 0.000) 4.320 6.381 ( 0.000 -2.013 0.000) 2.013 6.400 ( 0.000 -6.160 0.000) 6.160 6.717 ( 0.000 7.966 0.000) 7.966 6.965 ( 0.000 -10.628 0.000) 10.628 7.137 ( 0.000 -1.849 0.000) 1.849 7.139 ( 0.000 0.074 0.000) 0.074 7.321 ( 0.000 10.585 0.000) 10.585 7.482 ( 0.000 -3.777 0.000) 3.777 7.685 ( 0.000 3.959 0.000) 3.959 7.701 ( 0.000 1.463 0.000) 1.463 7.965 ( 0.000 2.096 0.000) 2.096 8.086 ( 0.000 -6.373 0.000) 6.373 8.230 ( 0.000 7.151 0.000) 7.151 8.310 ( 0.000 -0.973 0.000) 0.973 8.591 ( 0.000 0.117 0.000) 0.117 8.662 ( 0.000 0.817 0.000) 0.817 8.825 ( 0.000 -1.601 0.000) 1.601 8.923 ( 0.000 -2.028 0.000) 2.028 9.113 ( 0.000 5.399 0.000) 5.399 9.230 ( 0.000 -6.090 0.000) 6.090 9.618 ( 0.000 7.935 0.000) 7.935 9.693 ( 0.000 1.554 0.000) 1.554 9.878 ( 0.000 1.681 0.000) 1.681 10.049 ( 0.000 -12.663 0.000) 12.663 10.596 ( 0.000 9.397 0.000) 9.397 10.773 ( 0.000 -6.759 0.000) 6.759 11.059 ( 0.000 0.237 0.000) 0.237 11.074 ( 0.000 -1.543 0.000) 1.543 11.468 ( 0.000 14.857 0.000) 14.857 11.763 ( 0.000 -10.908 0.000) 10.908 12.078 ( 0.000 1.742 0.000) 1.742 12.139 ( 0.000 -3.392 0.000) 3.392 12.566 ( 0.000 3.062 0.000) 3.062 12.730 ( 0.000 -12.050 0.000) 12.050 13.029 ( 0.000 10.579 0.000) 10.579 13.262 ( 0.000 -8.249 0.000) 8.249 13.297 ( 0.000 -4.861 0.000) 4.861 13.352 ( 0.000 -8.499 0.000) 8.499 13.643 ( 0.000 5.572 0.000) 5.572 13.743 ( 0.000 -2.089 0.000) 2.089 13.954 ( 0.000 6.132 0.000) 6.132 14.093 ( 0.000 -6.463 0.000) 6.463 14.412 ( 0.000 11.505 0.000) 11.505 14.645 ( 0.000 -10.864 0.000) 10.864 14.983 ( 0.000 5.618 0.000) 5.618 15.079 ( 0.000 -3.117 0.000) 3.117 15.688 ( 0.000 6.446 0.000) 6.446 15.834 ( 0.000 -7.638 0.000) 7.638 16.559 ( 0.000 12.824 0.000) 12.824 16.611 ( 0.000 2.215 0.000) 2.215 16.674 ( 0.000 -1.832 0.000) 1.832 16.836 ( 0.000 -11.041 0.000) 11.041 16.943 ( 0.000 5.856 0.000) 5.856 17.023 ( 0.000 -1.916 0.000) 1.916 24.628 ( 0.000 0.795 0.000) 0.795 24.647 ( 0.000 -0.915 0.000) 0.915 24.925 ( 0.000 2.861 0.000) 2.861 24.969 ( 0.000 -1.279 0.000) 1.279 25.373 ( 0.000 2.992 0.000) 2.992 25.456 ( 0.000 -4.716 0.000) 4.716 25.733 ( 0.000 3.283 0.000) 3.283 25.786 ( 0.000 -1.770 0.000) 1.770 27.123 ( 0.000 5.108 0.000) 5.108 27.253 ( 0.000 -6.900 0.000) 6.900 27.606 ( 0.000 8.483 0.000) 8.483 27.787 ( 0.000 -8.679 0.000) 8.679 29.649 ( 0.000 1.308 0.000) 1.308 29.725 ( 0.000 -5.889 0.000) 5.889 31.410 ( 0.000 7.742 0.000) 7.742 31.509 ( 0.000 -1.765 0.000) 1.765 ======================= Grid point 22 (14/104) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -12.065 28.221 -3.034) 30.841 2.254 ( -6.650 19.090 6.772) 21.319 2.488 ( -3.183 -7.687 3.374) 8.978 2.804 ( -4.785 -19.992 4.469) 21.037 3.400 ( -7.334 0.421 -7.907) 10.793 3.432 ( -4.946 -2.639 -0.471) 5.626 3.631 ( -11.106 6.426 -6.092) 14.203 3.730 ( -4.000 5.533 -5.324) 8.658 3.810 ( -5.865 1.800 -11.066) 12.653 3.915 ( 2.170 9.095 3.897) 10.130 3.975 ( -1.380 -2.742 -5.168) 6.011 4.068 ( -1.340 -4.209 3.854) 5.862 4.207 ( 8.067 12.449 -2.896) 15.115 4.367 ( 7.383 1.687 -4.597) 8.859 4.435 ( 5.838 9.892 6.894) 13.396 4.702 ( 2.636 -10.973 -0.683) 11.306 4.786 ( 0.688 8.598 -5.975) 10.493 4.900 ( -1.114 -2.145 5.008) 5.561 4.973 ( 4.853 11.544 3.856) 13.103 5.135 ( -0.517 11.396 2.641) 11.709 5.407 ( 4.360 -13.955 6.726) 16.093 5.439 ( -4.328 -11.212 -0.067) 12.019 5.685 ( -5.566 9.728 6.940) 13.183 5.907 ( 7.045 -12.674 0.224) 14.502 6.250 ( -4.118 0.874 0.577) 4.249 6.317 ( 5.326 2.904 3.578) 7.043 6.350 ( -1.420 -3.605 0.684) 3.935 6.446 ( 9.634 -7.657 1.785) 12.435 6.790 ( 0.614 1.705 -4.561) 4.908 6.902 ( -9.818 -4.811 -4.243) 11.728 7.034 ( -1.669 6.897 2.380) 7.484 7.181 ( 3.551 -8.163 0.286) 8.906 7.269 ( 0.701 9.680 4.514) 10.704 7.445 ( -0.496 -4.962 -2.019) 5.380 7.688 ( -0.987 6.542 -3.342) 7.413 7.779 ( 2.632 -0.192 -5.091) 5.735 8.024 ( 3.144 4.346 0.246) 5.369 8.159 ( 5.170 -6.235 3.887) 8.984 8.218 ( -0.871 4.598 6.120) 7.705 8.308 ( -0.311 -2.436 1.688) 2.980 8.616 ( -0.770 6.752 -5.539) 8.767 8.658 ( 2.791 1.634 5.474) 6.358 8.815 ( 0.043 -5.348 -0.862) 5.418 8.938 ( 0.469 -5.544 0.879) 5.633 9.073 ( -3.417 4.835 -1.606) 6.135 9.185 ( -3.623 -7.089 -2.630) 8.384 9.584 ( -2.761 6.711 -1.431) 7.397 9.654 ( -3.343 0.294 -3.229) 4.657 9.891 ( 1.366 3.534 1.661) 4.137 10.054 ( -0.286 -10.665 1.152) 10.731 10.597 ( 0.840 8.991 -1.105) 9.097 10.756 ( -0.750 -5.605 -1.554) 5.864 11.113 ( 5.078 1.140 1.077) 5.314 11.146 ( 7.139 -1.839 0.089) 7.372 11.516 ( 3.772 10.694 3.903) 11.992 11.727 ( -5.215 -6.573 1.657) 8.553 11.993 ( -8.040 1.801 -1.237) 8.332 12.096 ( -4.416 -7.067 0.818) 8.373 12.468 ( -6.650 5.612 -4.368) 9.736 12.687 ( -3.079 -14.315 -4.967) 15.462 12.941 ( -7.156 8.506 -6.991) 13.131 13.086 ( -11.844 -5.062 -9.222) 15.841 13.318 ( 3.246 -3.019 3.746) 5.804 13.363 ( -1.529 -7.743 5.061) 9.376 13.608 ( -2.205 4.048 -0.651) 4.655 13.709 ( -2.555 -3.822 -0.269) 4.605 14.073 ( 8.204 6.831 1.920) 10.847 14.190 ( 7.135 -4.139 1.656) 8.413 14.483 ( 5.259 8.535 5.974) 11.670 14.662 ( 0.870 -8.142 2.190) 8.477 14.926 ( -3.291 6.105 -4.476) 8.254 15.055 ( -3.267 -5.740 0.204) 6.608 15.807 ( 9.388 5.360 6.325) 12.524 15.928 ( 7.030 -6.321 6.792) 11.641 16.470 ( -6.190 9.345 0.133) 11.210 16.593 ( -6.933 -1.503 -2.548) 7.538 16.639 ( 1.897 2.468 -4.451) 5.432 16.774 ( -2.563 -6.814 -2.644) 7.746 17.040 ( 8.394 6.978 1.604) 11.033 17.159 ( 9.911 -4.203 -0.011) 10.765 24.638 ( 1.570 1.582 -0.474) 2.279 24.675 ( 2.695 -1.932 -2.091) 3.920 24.942 ( 1.241 3.419 2.078) 4.189 24.994 ( 2.139 -1.329 0.953) 2.692 25.368 ( -0.643 2.511 0.615) 2.664 25.445 ( -1.105 -4.482 -0.039) 4.616 25.737 ( 0.314 3.496 0.378) 3.531 25.797 ( 0.813 -2.120 0.738) 2.388 27.114 ( -0.751 4.910 -0.957) 5.058 27.245 ( -0.311 -7.356 -1.507) 7.515 27.595 ( -0.864 8.045 -0.430) 8.103 27.779 ( -0.878 -9.432 0.450) 9.483 29.625 ( -2.233 2.322 -0.323) 3.237 29.716 ( -0.949 -6.426 0.232) 6.500 31.395 ( -1.472 8.377 0.271) 8.510 31.493 ( -1.344 -1.014 -0.502) 1.757 ======================= Grid point 23 (15/104) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -4.739 21.308 -1.964) 21.917 2.071 ( -14.260 -5.139 2.163) 15.311 2.576 ( 8.167 10.299 10.639) 16.910 2.838 ( 1.398 -10.718 9.041) 14.092 3.096 ( -15.126 6.616 -8.233) 18.449 3.279 ( -10.345 -9.571 -2.732) 14.356 3.400 ( -8.963 -0.210 -8.893) 12.628 3.494 ( -10.889 -7.199 -7.840) 15.227 3.760 ( 3.127 11.829 -0.589) 12.250 3.959 ( -1.189 7.592 1.002) 7.749 4.009 ( -1.451 2.863 -3.144) 4.493 4.045 ( 3.700 -11.942 0.069) 12.502 4.221 ( -2.553 4.227 -7.651) 9.106 4.442 ( 0.723 -6.315 -1.394) 6.507 4.608 ( 11.242 16.892 -1.791) 20.370 4.684 ( 0.141 4.732 1.872) 5.091 4.836 ( 2.219 6.075 -3.716) 7.459 4.945 ( 4.065 -3.646 4.282) 6.939 5.077 ( 2.084 6.254 1.557) 6.774 5.161 ( 0.497 8.923 3.731) 9.685 5.355 ( 0.052 -4.555 3.255) 5.599 5.599 ( 6.684 -14.399 4.981) 16.638 5.614 ( -5.494 17.899 5.403) 19.487 6.027 ( 4.967 -11.825 -2.667) 13.101 6.163 ( -4.172 5.158 1.151) 6.733 6.329 ( 0.711 -2.892 8.198) 8.722 6.470 ( 2.156 -2.200 2.440) 3.929 6.554 ( -2.633 -7.669 0.531) 8.126 6.733 ( 2.462 0.411 0.245) 2.508 6.764 ( 1.151 -2.026 -3.344) 4.076 7.115 ( 3.979 8.093 1.195) 9.097 7.156 ( -1.337 4.954 -3.771) 6.368 7.361 ( 0.306 3.523 2.261) 4.197 7.482 ( 1.569 -7.052 0.983) 7.291 7.661 ( 2.858 6.635 0.162) 7.227 7.741 ( -0.902 0.692 -7.321) 7.409 8.014 ( -1.158 2.194 -3.608) 4.379 8.170 ( -5.110 -11.610 3.630) 13.194 8.309 ( 4.254 5.268 7.902) 10.406 8.370 ( 5.671 -0.128 -0.150) 5.674 8.524 ( -4.190 12.611 -6.132) 14.635 8.736 ( -0.491 -6.858 -1.813) 7.111 8.830 ( 0.276 -1.281 7.164) 7.283 8.950 ( 0.385 -5.792 3.191) 6.625 9.000 ( -2.584 1.485 -0.210) 2.988 9.100 ( -2.185 -9.644 -6.403) 11.781 9.524 ( -2.564 4.603 -0.895) 5.345 9.570 ( -2.777 0.174 -3.264) 4.289 9.932 ( 1.574 3.128 1.341) 3.750 10.038 ( -1.881 -6.607 1.039) 6.948 10.617 ( 1.399 7.838 -0.709) 7.993 10.746 ( 0.500 -4.293 -1.212) 4.489 11.227 ( 5.490 4.405 2.217) 7.380 11.315 ( 9.645 -2.830 0.935) 10.095 11.576 ( -7.565 4.471 -4.248) 9.760 11.631 ( 4.753 -0.401 1.929) 5.145 11.847 ( -5.135 1.303 1.315) 5.459 12.005 ( -7.000 -11.430 5.198) 14.376 12.348 ( -3.425 6.485 -3.437) 8.100 12.566 ( -7.191 -13.583 -6.111) 16.539 12.751 ( -7.252 5.078 -5.769) 10.567 12.866 ( -6.189 -6.009 -5.636) 10.305 13.378 ( 0.560 -0.132 5.084) 5.117 13.401 ( 2.694 -3.808 1.874) 5.027 13.578 ( -0.457 1.498 0.290) 1.592 13.660 ( -2.107 -5.037 -2.335) 5.938 14.201 ( 4.665 8.420 0.604) 9.645 14.313 ( 4.711 -1.608 1.309) 5.147 14.612 ( 4.013 3.128 5.310) 7.353 14.688 ( 0.618 -3.801 1.887) 4.289 14.857 ( -1.115 3.733 -3.377) 5.156 14.973 ( -4.843 -6.293 -0.444) 7.954 16.029 ( 9.401 3.943 7.821) 12.849 16.103 ( 6.150 -3.161 7.642) 10.306 16.369 ( -4.462 6.478 -1.690) 8.045 16.446 ( -5.517 -0.988 -4.358) 7.099 16.630 ( -0.350 2.130 -3.682) 4.268 16.727 ( -1.226 -5.570 -2.464) 6.213 17.209 ( 7.757 6.575 1.403) 10.265 17.310 ( 5.742 -2.444 -0.663) 6.275 24.673 ( 2.054 1.216 -0.580) 2.456 24.703 ( 1.275 -1.759 -1.871) 2.867 24.988 ( 2.041 4.199 2.753) 5.420 25.040 ( 2.018 -0.222 -0.155) 2.036 25.360 ( -0.427 1.000 0.899) 1.411 25.420 ( -1.361 -4.243 -0.112) 4.458 25.746 ( 0.278 4.023 0.393) 4.051 25.817 ( 0.776 -2.751 0.753) 2.956 27.089 ( -1.070 4.849 -1.113) 5.089 27.232 ( -0.144 -8.776 -1.483) 8.902 27.577 ( -0.669 7.117 -0.307) 7.155 27.764 ( -0.859 -10.823 0.500) 10.869 29.579 ( -2.090 4.173 -0.276) 4.675 29.698 ( -0.956 -7.338 0.209) 7.403 31.368 ( -1.341 9.556 0.272) 9.654 31.465 ( -1.162 0.001 -0.445) 1.244 ======================= Grid point 24 (16/104) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 0.000 9.513 0.000) 9.513 1.887 ( -0.000 -1.361 0.000) 1.361 2.744 ( 0.000 9.449 0.000) 9.449 2.816 ( 0.000 1.500 -0.000) 1.500 2.960 ( -0.000 5.650 -0.000) 5.650 3.146 ( 0.000 -12.697 0.000) 12.697 3.258 ( -0.000 -3.236 0.000) 3.236 3.365 ( 0.000 -11.781 0.000) 11.781 3.844 ( 0.000 9.758 0.000) 9.758 3.884 ( -0.000 2.140 -0.000) 2.140 3.983 ( 0.000 17.014 0.000) 17.014 4.128 ( -0.000 -9.330 -0.000) 9.330 4.130 ( 0.000 -5.633 0.000) 5.633 4.427 ( 0.000 -15.363 -0.000) 15.363 4.686 ( 0.000 23.839 0.000) 23.839 4.760 ( 0.000 12.247 -0.000) 12.247 4.826 ( -0.000 8.645 0.000) 8.645 5.039 ( -0.000 1.652 0.000) 1.652 5.063 ( 0.000 -7.631 -0.000) 7.631 5.155 ( -0.000 -13.667 -0.000) 13.667 5.411 ( 0.000 11.023 0.000) 11.023 5.570 ( -0.000 25.571 0.000) 25.571 5.666 ( 0.000 -9.849 -0.000) 9.849 6.050 ( -0.000 -13.481 -0.000) 13.481 6.124 ( 0.000 10.787 -0.000) 10.787 6.425 ( 0.000 -12.472 0.000) 12.472 6.430 ( 0.000 3.140 -0.000) 3.140 6.523 ( -0.000 -12.020 -0.000) 12.020 6.740 ( 0.000 7.304 0.000) 7.304 6.845 ( 0.000 -4.339 -0.000) 4.339 7.129 ( 0.000 5.891 -0.000) 5.891 7.149 ( 0.000 5.095 0.000) 5.095 7.353 ( 0.000 7.752 -0.000) 7.752 7.471 ( 0.000 -1.327 -0.000) 1.327 7.713 ( 0.000 2.409 -0.000) 2.409 7.725 ( -0.000 6.312 0.000) 6.312 8.028 ( -0.000 -8.718 0.000) 8.718 8.079 ( 0.000 -11.192 -0.000) 11.192 8.400 ( 0.000 5.172 0.000) 5.172 8.429 ( -0.000 11.947 -0.000) 11.947 8.451 ( -0.000 3.874 0.000) 3.874 8.702 ( 0.000 -11.709 0.000) 11.709 8.826 ( -0.000 6.021 0.000) 6.021 8.960 ( -0.000 -0.510 0.000) 0.510 9.027 ( 0.000 -11.478 0.000) 11.478 9.040 ( -0.000 -7.985 -0.000) 7.985 9.495 ( 0.000 4.158 -0.000) 4.158 9.536 ( 0.000 0.087 0.000) 0.087 9.952 ( 0.000 1.806 -0.000) 1.806 10.017 ( 0.000 -4.513 0.000) 4.513 10.629 ( 0.000 7.505 -0.000) 7.505 10.751 ( 0.000 -4.059 0.000) 4.059 11.301 ( -0.000 4.690 -0.000) 4.690 11.413 ( 0.000 -5.516 0.000) 5.516 11.481 ( 0.000 11.677 0.000) 11.677 11.685 ( -0.000 -6.628 0.000) 6.628 11.848 ( -0.000 1.035 0.000) 1.035 11.915 ( 0.000 -6.534 -0.000) 6.534 12.322 ( -0.000 0.661 -0.000) 0.661 12.431 ( 0.000 -9.171 0.000) 9.171 12.668 ( 0.000 3.317 -0.000) 3.317 12.802 ( 0.000 -8.143 0.000) 8.143 13.405 ( 0.000 2.935 -0.000) 2.935 13.425 ( 0.000 -1.993 0.000) 1.993 13.600 ( -0.000 -2.577 -0.000) 2.577 13.610 ( 0.000 -4.564 0.000) 4.564 14.248 ( 0.000 8.975 -0.000) 8.975 14.362 ( -0.000 -0.296 0.000) 0.296 14.662 ( 0.000 1.166 -0.000) 1.166 14.700 ( 0.000 -1.565 0.000) 1.565 14.855 ( 0.000 -0.411 -0.000) 0.411 14.907 ( 0.000 -4.446 0.000) 4.446 16.168 ( 0.000 1.768 0.000) 1.768 16.213 ( -0.000 -2.198 -0.000) 2.198 16.263 ( 0.000 9.424 0.000) 9.424 16.393 ( -0.000 -2.948 -0.000) 2.948 16.609 ( 0.000 2.854 0.000) 2.854 16.708 ( -0.000 -5.703 0.000) 5.703 17.297 ( 0.000 4.869 -0.000) 4.869 17.356 ( -0.000 0.135 0.000) 0.135 24.696 ( -0.000 0.140 -0.000) 0.140 24.705 ( 0.000 -0.746 0.000) 0.746 25.023 ( 0.000 4.082 -0.000) 4.082 25.055 ( 0.000 1.529 0.000) 1.529 25.361 ( -0.000 -0.173 -0.000) 0.173 25.404 ( 0.000 -4.276 0.000) 4.276 25.749 ( 0.000 4.322 -0.000) 4.322 25.827 ( 0.000 -3.033 0.000) 3.033 27.074 ( 0.000 4.968 -0.000) 4.968 27.227 ( 0.000 -9.738 0.000) 9.738 27.570 ( 0.000 6.651 -0.000) 6.651 27.757 ( 0.000 -11.463 0.000) 11.463 29.558 ( 0.000 5.035 -0.000) 5.035 29.689 ( 0.000 -7.741 0.000) 7.741 31.356 ( 0.000 10.065 -0.000) 10.065 31.452 ( 0.000 0.357 -0.000) 0.357 ======================= Grid point 49 (17/104) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -6.811 0.000 34.389) 35.057 0.694 ( -5.854 0.000 36.743) 37.206 1.364 ( -3.306 0.000 67.356) 67.438 2.417 ( -0.748 0.000 20.122) 20.136 2.755 ( -2.600 0.000 21.333) 21.491 3.334 ( -0.642 0.000 -6.143) 6.176 3.345 ( 1.016 0.000 4.617) 4.728 3.585 ( 1.029 0.000 -2.659) 2.852 3.686 ( -13.979 0.000 1.170) 14.028 3.880 ( 7.313 0.000 7.005) 10.127 3.922 ( 7.986 0.000 4.263) 9.053 4.085 ( -5.165 0.000 7.841) 9.389 4.180 ( 11.338 0.000 -1.507) 11.438 4.272 ( -2.509 0.000 -1.881) 3.136 4.275 ( -0.644 0.000 -6.046) 6.081 4.511 ( 0.218 0.000 0.174) 0.279 4.552 ( -9.008 0.000 6.851) 11.317 4.743 ( -6.563 0.000 6.136) 8.985 4.931 ( 1.521 0.000 -9.026) 9.153 5.369 ( -0.500 0.000 -12.737) 12.747 5.430 ( 8.293 0.000 -9.748) 12.799 5.852 ( -4.481 0.000 2.615) 5.188 5.955 ( -1.745 0.000 -1.664) 2.411 6.277 ( -0.279 0.000 2.510) 2.525 6.331 ( -1.484 0.000 -9.455) 9.571 6.422 ( 25.174 0.000 -7.625) 26.303 6.495 ( -5.394 0.000 2.024) 5.761 6.667 ( 24.503 0.000 -2.577) 24.638 6.809 ( -0.753 0.000 6.811) 6.853 6.886 ( -6.664 0.000 -0.955) 6.732 7.070 ( -3.550 0.000 8.140) 8.880 7.091 ( -9.397 0.000 -10.165) 13.843 7.411 ( -1.861 0.000 -2.658) 3.245 7.413 ( -8.595 0.000 -4.393) 9.653 7.542 ( 1.992 0.000 -3.508) 4.034 7.636 ( -8.540 0.000 -6.725) 10.869 7.689 ( 6.576 0.000 -3.647) 7.520 7.775 ( 4.693 0.000 2.434) 5.287 8.183 ( 17.767 0.000 0.668) 17.779 8.357 ( -5.544 0.000 3.338) 6.471 8.525 ( 3.630 0.000 7.067) 7.945 8.708 ( -4.733 0.000 -1.747) 5.046 8.863 ( 1.261 0.000 2.874) 3.139 8.915 ( 16.541 0.000 18.006) 24.450 9.038 ( 0.578 0.000 -8.271) 8.291 9.249 ( 2.144 0.000 -7.483) 7.784 9.495 ( 2.580 0.000 -8.343) 8.733 9.983 ( -9.954 0.000 -1.350) 10.045 10.105 ( -21.463 0.000 -2.521) 21.611 10.234 ( -1.501 0.000 3.658) 3.954 10.747 ( -0.416 0.000 1.402) 1.462 10.885 ( 2.855 0.000 1.839) 3.396 11.092 ( 1.186 0.000 -3.814) 3.994 11.172 ( -3.976 0.000 -8.081) 9.006 11.446 ( 2.012 0.000 4.783) 5.189 11.472 ( -16.862 0.000 3.274) 17.177 11.820 ( 1.870 0.000 3.945) 4.366 12.171 ( -1.819 0.000 0.303) 1.844 12.383 ( -0.669 0.000 -1.782) 1.903 12.757 ( 3.654 0.000 -3.811) 5.280 13.147 ( 10.487 0.000 -11.109) 15.277 13.459 ( -1.218 0.000 -7.821) 7.916 13.473 ( -1.504 0.000 6.078) 6.262 13.517 ( 0.441 0.000 -7.656) 7.669 13.539 ( -12.732 0.000 2.465) 12.968 13.874 ( -29.010 0.000 1.404) 29.044 14.075 ( 1.306 0.000 0.072) 1.308 14.145 ( 3.164 0.000 4.184) 5.246 14.693 ( 1.892 0.000 -3.007) 3.553 14.728 ( -0.051 0.000 5.468) 5.468 15.156 ( 1.515 0.000 -4.329) 4.586 15.296 ( 37.725 0.000 2.852) 37.832 15.984 ( 16.541 0.000 -3.355) 16.877 15.992 ( -11.191 0.000 -2.026) 11.373 16.147 ( 11.001 0.000 4.963) 12.069 16.277 ( 0.910 0.000 4.949) 5.032 16.415 ( 3.503 0.000 1.938) 4.003 16.616 ( -0.114 0.000 -0.022) 0.116 16.692 ( -7.415 0.000 1.764) 7.622 17.151 ( -1.708 0.000 -1.031) 1.995 24.487 ( -0.165 0.000 1.595) 1.604 24.771 ( -5.422 0.000 1.014) 5.516 24.945 ( -18.301 0.000 6.345) 19.370 24.998 ( -1.103 0.000 2.161) 2.426 25.512 ( -1.735 0.000 1.765) 2.474 25.693 ( -1.295 0.000 -2.550) 2.860 25.723 ( 0.195 0.000 3.504) 3.509 26.277 ( -46.295 0.000 -2.438) 46.359 27.123 ( 0.143 0.000 4.835) 4.837 27.357 ( -1.806 0.000 1.967) 2.671 28.071 ( 0.948 0.000 -4.476) 4.575 28.360 ( 87.786 0.000 -5.744) 87.974 29.484 ( 0.027 0.000 0.572) 0.572 29.816 ( -0.883 0.000 -1.417) 1.670 30.414 ( -15.537 0.000 0.081) 15.537 30.658 ( 0.127 0.000 -1.127) 1.134 ======================= Grid point 50 (18/104) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 15.071 0.000 31.204) 34.653 1.068 ( 29.035 0.000 21.755) 36.281 1.779 ( 6.518 0.000 49.197) 49.627 2.500 ( -1.791 0.000 20.965) 21.042 2.869 ( 3.809 0.000 28.405) 28.660 3.265 ( -7.749 0.000 -3.996) 8.719 3.267 ( -14.525 0.000 2.906) 14.813 3.463 ( -7.220 0.000 -3.253) 7.919 3.534 ( 0.617 0.000 1.075) 1.239 3.905 ( -7.028 0.000 3.644) 7.917 4.089 ( 4.573 0.000 3.910) 6.017 4.104 ( -2.295 0.000 11.243) 11.475 4.146 ( -2.842 0.000 -3.941) 4.859 4.273 ( 3.713 0.000 -3.977) 5.441 4.363 ( -16.621 0.000 1.714) 16.709 4.415 ( 8.661 0.000 -4.163) 9.610 4.480 ( -0.997 0.000 7.743) 7.806 4.727 ( 3.202 0.000 5.100) 6.022 4.990 ( 8.833 0.000 -5.584) 10.450 5.326 ( 3.179 0.000 -12.294) 12.699 5.543 ( 8.203 0.000 -7.143) 10.877 5.825 ( 0.471 0.000 1.810) 1.871 5.911 ( -3.835 0.000 1.346) 4.064 6.115 ( -14.625 0.000 -19.021) 23.994 6.276 ( -1.119 0.000 2.464) 2.706 6.377 ( -6.823 0.000 -1.816) 7.061 6.424 ( -9.206 0.000 -4.233) 10.133 6.580 ( -14.292 0.000 -1.160) 14.339 6.788 ( -6.577 0.000 4.829) 8.160 6.984 ( 4.100 0.000 -11.916) 12.602 7.049 ( -3.931 0.000 1.484) 4.202 7.087 ( 10.701 0.000 -16.638) 19.782 7.234 ( -0.874 0.000 2.621) 2.763 7.421 ( -0.610 0.000 -0.434) 0.749 7.532 ( 1.983 0.000 -0.822) 2.146 7.643 ( 3.181 0.000 -0.128) 3.183 7.779 ( 5.788 0.000 0.527) 5.812 7.867 ( 4.470 0.000 0.723) 4.528 8.274 ( -4.180 0.000 4.716) 6.301 8.492 ( -2.493 0.000 0.000) 2.493 8.604 ( 26.007 0.000 -9.460) 27.674 8.670 ( -4.048 0.000 -3.721) 5.498 8.910 ( 2.565 0.000 2.058) 3.289 9.068 ( 5.883 0.000 -8.297) 10.171 9.185 ( 2.368 0.000 7.163) 7.544 9.272 ( 4.832 0.000 -3.875) 6.194 9.362 ( -28.786 0.000 17.552) 33.715 9.539 ( 2.794 0.000 -5.024) 5.749 10.031 ( 4.332 0.000 2.844) 5.182 10.149 ( -8.482 0.000 2.817) 8.938 10.725 ( -2.798 0.000 1.378) 3.119 10.864 ( -5.063 0.000 3.815) 6.340 11.166 ( 4.523 0.000 -13.249) 14.000 11.191 ( 9.725 0.000 -2.397) 10.016 11.541 ( 5.084 0.000 6.147) 7.977 11.553 ( 8.716 0.000 7.003) 11.180 11.886 ( -0.380 0.000 4.766) 4.781 12.093 ( -5.619 0.000 -1.677) 5.864 12.364 ( -0.486 0.000 -0.980) 1.093 12.776 ( 1.155 0.000 -4.786) 4.923 13.110 ( -7.931 0.000 -1.061) 8.002 13.116 ( -16.844 0.000 -11.239) 20.249 13.288 ( 1.539 0.000 -0.729) 1.703 13.614 ( 1.349 0.000 9.855) 9.947 13.670 ( 6.723 0.000 -4.748) 8.230 13.672 ( -3.034 0.000 -0.010) 3.034 14.050 ( -0.246 0.000 1.046) 1.074 14.306 ( 5.962 0.000 6.841) 9.074 14.676 ( -0.526 0.000 -3.839) 3.875 14.758 ( 2.259 0.000 0.398) 2.294 15.214 ( 5.525 0.000 -0.280) 5.532 15.469 ( 1.014 0.000 -8.394) 8.455 15.757 ( -12.405 0.000 -2.813) 12.720 16.218 ( -6.122 0.000 11.582) 13.101 16.357 ( 8.173 0.000 5.184) 9.678 16.363 ( 5.448 0.000 -7.862) 9.565 16.449 ( 1.077 0.000 4.056) 4.196 16.616 ( 0.406 0.000 -0.905) 0.991 16.648 ( 6.515 0.000 -6.163) 8.968 17.108 ( -1.753 0.000 -2.071) 2.713 24.533 ( 3.967 0.000 1.981) 4.434 24.672 ( -0.412 0.000 1.576) 1.629 24.897 ( -0.544 0.000 12.329) 12.341 24.965 ( -3.635 0.000 2.091) 4.194 25.475 ( -2.608 0.000 1.361) 2.942 25.608 ( -5.547 0.000 -1.718) 5.807 25.758 ( 1.037 0.000 3.743) 3.884 25.902 ( -6.676 0.000 7.912) 10.352 27.114 ( -3.771 0.000 4.819) 6.119 27.356 ( 0.616 0.000 1.736) 1.841 28.081 ( 2.742 0.000 -5.453) 6.103 28.848 ( -4.435 0.000 -13.520) 14.229 29.499 ( 1.009 0.000 0.726) 1.243 29.875 ( 4.306 0.000 -1.185) 4.467 30.427 ( 10.854 0.000 -5.890) 12.349 30.647 ( -0.493 0.000 -1.234) 1.328 ======================= Grid point 51 (19/104) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 12.987 0.000 25.605) 28.710 1.764 ( 32.478 0.000 17.074) 36.693 1.940 ( -8.737 0.000 21.516) 23.222 2.568 ( -2.903 0.000 17.605) 17.843 2.943 ( -19.423 0.000 -3.474) 19.732 2.961 ( -16.391 0.000 6.694) 17.705 3.256 ( 15.388 0.000 28.325) 32.235 3.407 ( 0.153 0.000 -3.867) 3.870 3.572 ( 2.099 0.000 2.169) 3.019 3.769 ( -8.286 0.000 6.499) 10.530 3.819 ( -27.054 0.000 -4.108) 27.364 4.034 ( -3.074 0.000 -4.715) 5.628 4.202 ( 3.963 0.000 6.142) 7.310 4.273 ( 0.943 0.000 1.165) 1.499 4.324 ( -7.968 0.000 -1.131) 8.048 4.373 ( 5.731 0.000 1.682) 5.973 4.626 ( 6.067 0.000 -1.556) 6.263 4.892 ( 11.007 0.000 9.311) 14.417 5.143 ( 7.219 0.000 -1.454) 7.364 5.331 ( -1.314 0.000 -11.654) 11.728 5.501 ( -23.234 0.000 -16.004) 28.212 5.701 ( 12.265 0.000 -0.992) 12.305 5.808 ( -3.254 0.000 -8.353) 8.965 5.926 ( -2.253 0.000 -2.053) 3.048 6.220 ( -7.804 0.000 0.140) 7.805 6.262 ( -1.875 0.000 -0.967) 2.110 6.267 ( -3.137 0.000 4.414) 5.415 6.458 ( -1.783 0.000 -0.877) 1.987 6.652 ( -7.803 0.000 7.978) 11.159 6.980 ( 1.996 0.000 -16.867) 16.985 7.003 ( -1.482 0.000 2.953) 3.304 7.148 ( 7.568 0.000 -12.977) 15.023 7.347 ( 4.489 0.000 8.201) 9.349 7.433 ( 2.079 0.000 2.476) 3.233 7.573 ( -0.466 0.000 7.942) 7.956 7.616 ( -2.720 0.000 -0.619) 2.790 7.941 ( 3.323 0.000 -1.127) 3.509 7.943 ( 10.313 0.000 0.485) 10.324 8.202 ( -4.611 0.000 -2.775) 5.381 8.407 ( -10.316 0.000 -1.073) 10.371 8.635 ( 7.448 0.000 -5.486) 9.250 8.814 ( -5.356 0.000 7.191) 8.966 8.919 ( -1.635 0.000 -3.723) 4.066 9.110 ( 2.727 0.000 -5.719) 6.336 9.169 ( 4.139 0.000 -11.210) 11.950 9.295 ( 4.324 0.000 10.290) 11.162 9.388 ( 7.092 0.000 -1.668) 7.286 9.552 ( 2.764 0.000 -2.037) 3.433 9.995 ( -8.187 0.000 1.699) 8.362 10.188 ( 8.349 0.000 4.199) 9.346 10.678 ( -2.664 0.000 2.371) 3.566 10.781 ( -7.523 0.000 7.231) 10.435 11.140 ( 1.769 0.000 -10.669) 10.814 11.350 ( 6.536 0.000 -0.114) 6.537 11.683 ( 6.127 0.000 2.420) 6.587 11.737 ( 3.670 0.000 3.853) 5.321 11.829 ( -3.009 0.000 3.743) 4.802 11.985 ( -3.622 0.000 -1.166) 3.805 12.356 ( -0.291 0.000 0.799) 0.851 12.755 ( 0.141 0.000 -8.435) 8.436 12.785 ( -11.425 0.000 -9.755) 15.023 13.030 ( -1.677 0.000 -5.742) 5.981 13.353 ( 4.662 0.000 7.632) 8.943 13.641 ( -0.714 0.000 -2.229) 2.340 13.698 ( 1.581 0.000 11.937) 12.041 13.717 ( 2.155 0.000 -3.727) 4.306 14.097 ( 3.000 0.000 2.630) 3.990 14.335 ( -4.847 0.000 1.780) 5.164 14.652 ( 0.507 0.000 -4.318) 4.348 14.876 ( 10.173 0.000 -0.810) 10.205 15.296 ( -0.614 0.000 4.037) 4.083 15.430 ( 0.919 0.000 -12.547) 12.581 15.543 ( -6.208 0.000 -4.275) 7.538 16.098 ( -10.489 0.000 8.323) 13.390 16.302 ( -4.035 0.000 -2.010) 4.508 16.458 ( -0.237 0.000 2.455) 2.467 16.490 ( 0.287 0.000 0.959) 1.001 16.643 ( 3.500 0.000 -1.575) 3.838 16.802 ( 9.195 0.000 -2.132) 9.439 17.079 ( -0.248 0.000 -0.542) 0.596 24.641 ( 6.076 0.000 2.322) 6.505 24.709 ( 2.545 0.000 -0.217) 2.554 24.889 ( -5.695 0.000 2.362) 6.166 24.981 ( 1.950 0.000 14.885) 15.012 25.443 ( -1.560 0.000 1.713) 2.317 25.518 ( -3.297 0.000 -1.036) 3.456 25.788 ( 0.050 0.000 3.362) 3.363 25.879 ( -1.233 0.000 3.912) 4.101 27.056 ( -4.035 0.000 3.091) 5.083 27.384 ( 0.818 0.000 2.704) 2.825 28.107 ( 3.566 0.000 -7.792) 8.569 28.615 ( -10.960 0.000 -9.270) 14.355 29.522 ( 0.810 0.000 0.773) 1.120 29.914 ( 0.454 0.000 0.684) 0.820 30.573 ( 8.166 0.000 -6.541) 10.463 30.632 ( -0.339 0.000 -1.146) 1.195 ======================= Grid point 52 (20/104) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -5.181 0.000 24.380) 24.924 1.701 ( -23.609 0.000 10.563) 25.864 2.384 ( -17.761 0.000 0.169) 17.762 2.418 ( 24.174 0.000 17.321) 29.739 2.780 ( -5.574 0.000 11.107) 12.427 2.852 ( 8.409 0.000 6.960) 10.916 3.110 ( -35.354 0.000 1.861) 35.403 3.382 ( 0.122 0.000 -4.652) 4.654 3.528 ( -3.164 0.000 -3.336) 4.598 3.690 ( -4.488 0.000 6.681) 8.048 3.881 ( 18.829 0.000 22.655) 29.458 3.984 ( 0.167 0.000 -5.957) 5.959 4.154 ( -6.328 0.000 -2.388) 6.763 4.251 ( -3.827 0.000 -2.814) 4.750 4.327 ( 3.453 0.000 6.300) 7.184 4.401 ( -2.393 0.000 -0.677) 2.487 4.681 ( 2.256 0.000 -3.204) 3.919 4.774 ( -17.498 0.000 -11.678) 21.037 5.215 ( 2.018 0.000 -1.788) 2.696 5.358 ( 15.853 0.000 4.202) 16.401 5.450 ( 9.243 0.000 -4.354) 10.218 5.598 ( -10.600 0.000 -12.040) 16.041 5.886 ( 1.289 0.000 -2.587) 2.890 5.914 ( 8.136 0.000 -5.354) 9.739 6.186 ( 3.124 0.000 4.423) 5.415 6.251 ( -0.056 0.000 3.790) 3.790 6.309 ( 4.622 0.000 7.373) 8.701 6.438 ( 0.008 0.000 -3.492) 3.492 6.650 ( 0.375 0.000 15.530) 15.535 6.888 ( -0.578 0.000 -21.643) 21.650 7.011 ( 0.406 0.000 4.451) 4.469 7.244 ( 6.859 0.000 -2.300) 7.234 7.384 ( -4.650 0.000 7.245) 8.609 7.499 ( 1.810 0.000 6.428) 6.678 7.598 ( 1.050 0.000 -1.826) 2.107 7.607 ( -0.986 0.000 9.343) 9.395 7.971 ( 0.597 0.000 -1.370) 1.495 8.071 ( -5.995 0.000 -9.010) 10.823 8.074 ( -3.915 0.000 -1.930) 4.365 8.244 ( 1.974 0.000 -0.534) 2.045 8.731 ( -5.800 0.000 8.346) 10.163 8.772 ( 3.461 0.000 -2.594) 4.326 8.846 ( 1.350 0.000 -6.827) 6.959 9.077 ( -5.900 0.000 -16.316) 17.350 9.129 ( 2.157 0.000 -2.626) 3.398 9.385 ( 0.939 0.000 6.871) 6.934 9.431 ( -1.743 0.000 -4.355) 4.691 9.689 ( 9.034 0.000 -2.162) 9.289 9.925 ( 0.782 0.000 1.868) 2.025 10.318 ( 1.485 0.000 5.220) 5.427 10.667 ( -0.170 0.000 3.707) 3.711 10.672 ( -6.391 0.000 6.831) 9.355 11.189 ( 8.199 0.000 -4.418) 9.314 11.409 ( -0.310 0.000 1.272) 1.310 11.610 ( -8.325 0.000 -4.621) 9.522 11.672 ( -6.037 0.000 -6.313) 8.734 11.990 ( 8.652 0.000 11.741) 14.585 12.013 ( 4.031 0.000 3.887) 5.600 12.365 ( 0.418 0.000 1.947) 1.991 12.663 ( 4.571 0.000 -7.174) 8.507 12.699 ( -0.730 0.000 -9.967) 9.994 12.930 ( -4.239 0.000 -9.694) 10.580 13.511 ( 3.440 0.000 4.778) 5.888 13.624 ( 0.730 0.000 7.931) 7.965 13.751 ( 3.321 0.000 -0.978) 3.463 13.780 ( 0.662 0.000 10.480) 10.501 14.136 ( -1.274 0.000 1.789) 2.196 14.221 ( -4.831 0.000 -4.226) 6.419 14.651 ( 1.661 0.000 -3.755) 4.106 15.044 ( 4.664 0.000 0.537) 4.694 15.180 ( -7.851 0.000 -0.187) 7.853 15.358 ( -0.303 0.000 -19.583) 19.585 15.552 ( 5.368 0.000 1.228) 5.507 15.969 ( -6.675 0.000 6.930) 9.621 16.239 ( -1.327 0.000 -2.385) 2.729 16.411 ( -3.697 0.000 -2.135) 4.269 16.476 ( -1.294 0.000 -2.456) 2.776 16.682 ( 0.591 0.000 -1.256) 1.388 16.917 ( 2.706 0.000 2.497) 3.682 17.101 ( 1.913 0.000 2.172) 2.895 24.726 ( -2.234 0.000 1.335) 2.602 24.746 ( 1.132 0.000 1.221) 1.665 24.823 ( 1.026 0.000 3.641) 3.782 25.137 ( 5.439 0.000 20.636) 21.341 25.440 ( 0.072 0.000 2.387) 2.388 25.468 ( -1.710 0.000 -1.576) 2.326 25.791 ( -1.502 0.000 2.826) 3.200 25.870 ( -1.833 0.000 3.053) 3.561 27.015 ( -1.504 0.000 1.911) 2.432 27.406 ( -0.250 0.000 3.381) 3.390 28.117 ( 2.696 0.000 -12.538) 12.825 28.378 ( -8.530 0.000 -12.433) 15.078 29.530 ( -0.398 0.000 0.645) 0.758 29.908 ( -1.339 0.000 0.484) 1.423 30.627 ( 0.477 0.000 -0.938) 1.052 30.672 ( 5.830 0.000 -3.940) 7.036 ======================= Grid point 53 (21/104) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -29.944 0.000 10.276) 31.658 1.417 ( -30.739 0.000 18.031) 35.637 2.236 ( -0.928 0.000 7.962) 8.016 2.277 ( -48.075 0.000 23.717) 53.607 2.707 ( -5.564 0.000 15.355) 16.332 3.098 ( 24.739 0.000 5.988) 25.453 3.118 ( 15.459 0.000 2.745) 15.701 3.388 ( 2.465 0.000 -3.401) 4.201 3.415 ( -5.880 0.000 -4.970) 7.699 3.674 ( 0.262 0.000 4.482) 4.490 3.916 ( -2.148 0.000 -7.535) 7.835 4.076 ( -3.419 0.000 -4.366) 5.545 4.136 ( 4.373 0.000 -0.949) 4.475 4.251 ( 3.670 0.000 -1.098) 3.830 4.352 ( -4.090 0.000 3.020) 5.084 4.443 ( 7.055 0.000 19.996) 21.204 4.582 ( -1.096 0.000 -7.376) 7.457 4.710 ( 1.133 0.000 2.374) 2.630 5.187 ( -5.818 0.000 -0.489) 5.838 5.382 ( -2.959 0.000 -13.386) 13.709 5.426 ( 2.082 0.000 -7.361) 7.650 5.642 ( 3.468 0.000 -5.644) 6.625 5.956 ( 1.643 0.000 -6.731) 6.928 6.090 ( 18.862 0.000 -0.652) 18.873 6.276 ( -1.751 0.000 8.905) 9.076 6.379 ( 7.106 0.000 3.288) 7.830 6.428 ( 9.101 0.000 -1.136) 9.171 6.438 ( 4.503 0.000 4.981) 6.714 6.726 ( -5.371 0.000 -21.084) 21.758 6.768 ( 1.335 0.000 12.666) 12.736 7.090 ( 5.158 0.000 6.094) 7.984 7.302 ( -5.424 0.000 5.244) 7.544 7.377 ( 6.354 0.000 6.089) 8.801 7.545 ( -1.554 0.000 5.131) 5.361 7.599 ( -0.880 0.000 -2.834) 2.968 7.609 ( -2.885 0.000 4.099) 5.012 7.909 ( -5.495 0.000 -6.797) 8.740 7.913 ( -7.635 0.000 2.357) 7.991 7.950 ( -3.543 0.000 3.221) 4.789 8.316 ( 1.916 0.000 -5.890) 6.194 8.682 ( -4.572 0.000 6.268) 7.758 8.734 ( 0.541 0.000 -0.447) 0.702 8.817 ( -10.698 0.000 -18.791) 21.623 8.914 ( 2.913 0.000 -3.700) 4.709 9.163 ( 2.317 0.000 -2.943) 3.745 9.317 ( -5.845 0.000 -5.497) 8.024 9.453 ( 3.721 0.000 1.116) 3.884 9.792 ( 3.983 0.000 2.059) 4.484 10.019 ( 6.741 0.000 2.557) 7.210 10.263 ( -8.981 0.000 6.275) 10.956 10.690 ( 3.715 0.000 7.494) 8.364 10.701 ( 1.374 0.000 3.451) 3.714 11.314 ( 2.716 0.000 -8.890) 9.296 11.354 ( -6.420 0.000 -0.499) 6.439 11.496 ( -7.126 0.000 -4.243) 8.293 11.505 ( 3.362 0.000 -0.191) 3.367 12.096 ( 3.163 0.000 2.652) 4.128 12.241 ( 10.595 0.000 18.029) 20.912 12.386 ( 0.696 0.000 1.571) 1.718 12.624 ( -2.582 0.000 -8.504) 8.887 12.797 ( -3.365 0.000 -11.597) 12.076 12.855 ( 17.574 0.000 -5.716) 18.480 13.459 ( -4.731 0.000 -3.651) 5.976 13.748 ( -0.437 0.000 13.314) 13.321 13.820 ( 2.731 0.000 1.318) 3.032 13.865 ( 4.736 0.000 14.068) 14.844 14.077 ( -3.093 0.000 -1.481) 3.429 14.132 ( -2.956 0.000 -4.953) 5.768 14.677 ( 2.660 0.000 -1.414) 3.012 14.923 ( -11.137 0.000 1.195) 11.201 15.181 ( -6.525 0.000 -27.659) 28.418 15.183 ( 2.425 0.000 -2.726) 3.648 15.702 ( 8.954 0.000 4.342) 9.951 15.947 ( 0.916 0.000 4.019) 4.122 16.227 ( 1.236 0.000 -2.841) 3.098 16.316 ( -5.058 0.000 -3.434) 6.114 16.418 ( -2.715 0.000 -5.008) 5.696 16.659 ( -1.749 0.000 -0.979) 2.004 16.924 ( -3.765 0.000 4.197) 5.638 17.150 ( 1.535 0.000 2.565) 2.989 24.623 ( -6.842 0.000 1.450) 6.994 24.766 ( 0.005 0.000 2.994) 2.994 24.914 ( 4.023 0.000 3.194) 5.137 25.404 ( 4.160 0.000 2.732) 4.977 25.447 ( 6.428 0.000 21.946) 22.867 25.468 ( 1.291 0.000 2.965) 3.234 25.765 ( -2.693 0.000 2.411) 3.615 25.863 ( -0.745 0.000 10.964) 10.989 27.024 ( 1.283 0.000 1.975) 2.355 27.408 ( -1.543 0.000 3.576) 3.895 28.022 ( -4.316 0.000 -31.749) 32.041 28.178 ( -5.520 0.000 -7.945) 9.675 29.515 ( -1.359 0.000 0.497) 1.447 29.878 ( -1.896 0.000 0.593) 1.986 30.638 ( 1.091 0.000 -0.833) 1.373 30.746 ( 4.111 0.000 -4.397) 6.020 ======================= Grid point 54 (22/104) ======================= q-point: (-0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -23.400 0.000 26.696) 35.500 0.915 ( -30.925 0.000 22.957) 38.514 1.531 ( -45.322 0.000 43.824) 63.045 2.317 ( 1.071 0.000 16.148) 16.183 2.705 ( -3.782 0.000 17.075) 17.489 3.313 ( -0.721 0.000 0.239) 0.760 3.378 ( 2.758 0.000 -8.862) 9.281 3.420 ( 11.216 0.000 4.279) 12.005 3.562 ( 18.196 0.000 7.677) 19.749 3.747 ( 4.147 0.000 2.630) 4.911 3.942 ( 9.674 0.000 -2.692) 10.042 3.987 ( -6.264 0.000 -1.684) 6.486 4.229 ( -1.663 0.000 3.753) 4.105 4.239 ( -1.744 0.000 -2.353) 2.929 4.282 ( 4.162 0.000 -6.797) 7.970 4.517 ( -0.757 0.000 -2.944) 3.040 4.697 ( -6.915 0.000 7.273) 10.035 4.724 ( 5.712 0.000 14.468) 15.555 5.023 ( -7.124 0.000 -5.557) 9.035 5.357 ( 5.344 0.000 -11.175) 12.387 5.426 ( 2.045 0.000 -7.873) 8.134 5.676 ( 8.287 0.000 2.943) 8.794 5.924 ( -2.428 0.000 -2.679) 3.616 6.272 ( -4.332 0.000 -15.061) 15.671 6.274 ( -2.437 0.000 7.261) 7.659 6.407 ( 11.604 0.000 -12.143) 16.796 6.492 ( -6.949 0.000 -4.386) 8.217 6.524 ( 1.321 0.000 3.676) 3.907 6.795 ( -2.412 0.000 7.912) 8.271 6.796 ( 15.127 0.000 6.281) 16.379 7.113 ( -5.664 0.000 9.131) 10.745 7.379 ( -13.163 0.000 -7.906) 15.355 7.393 ( 8.983 0.000 1.114) 9.052 7.489 ( -1.219 0.000 1.171) 1.690 7.536 ( -0.269 0.000 -4.741) 4.748 7.636 ( 6.198 0.000 1.564) 6.393 7.782 ( -9.500 0.000 -3.281) 10.051 7.819 ( -8.025 0.000 6.001) 10.021 7.929 ( 2.424 0.000 11.927) 12.170 8.353 ( 6.829 0.000 2.051) 7.130 8.515 ( -9.096 0.000 -11.951) 15.019 8.675 ( -0.442 0.000 9.030) 9.040 8.784 ( 2.210 0.000 1.633) 2.748 8.878 ( -4.847 0.000 -1.883) 5.200 9.116 ( -4.293 0.000 -5.100) 6.666 9.248 ( 1.771 0.000 -6.763) 6.991 9.498 ( 2.859 0.000 -8.541) 9.007 9.953 ( 10.999 0.000 7.037) 13.058 10.139 ( -5.473 0.000 6.070) 8.173 10.163 ( 6.164 0.000 3.346) 7.013 10.736 ( 0.643 0.000 1.999) 2.099 10.823 ( 3.955 0.000 9.057) 9.883 11.186 ( -7.992 0.000 -3.724) 8.817 11.223 ( -2.373 0.000 -8.600) 8.921 11.420 ( -1.261 0.000 1.746) 2.154 11.658 ( 8.378 0.000 -2.690) 8.799 12.159 ( 2.121 0.000 1.444) 2.566 12.263 ( -22.297 0.000 -22.793) 31.885 12.397 ( -0.045 0.000 -0.232) 0.237 12.677 ( 9.840 0.000 1.287) 9.924 12.808 ( 15.544 0.000 11.306) 19.221 13.183 ( 19.735 0.000 -5.366) 20.451 13.379 ( -1.671 0.000 2.767) 3.233 13.722 ( -5.675 0.000 2.910) 6.378 13.773 ( -8.711 0.000 -4.795) 9.944 14.021 ( 0.644 0.000 -3.468) 3.527 14.122 ( 1.412 0.000 2.673) 3.023 14.180 ( 21.019 0.000 25.517) 33.059 14.727 ( -0.617 0.000 -2.595) 2.668 14.757 ( -6.661 0.000 2.798) 7.225 14.763 ( -20.459 0.000 -25.889) 32.997 15.178 ( -0.510 0.000 -3.715) 3.749 15.915 ( 11.036 0.000 4.874) 12.065 15.981 ( -0.107 0.000 -5.406) 5.407 16.182 ( -7.949 0.000 -2.572) 8.355 16.237 ( 1.133 0.000 -1.655) 2.006 16.358 ( -0.277 0.000 0.359) 0.454 16.627 ( -1.072 0.000 -0.460) 1.167 16.830 ( -8.234 0.000 4.168) 9.229 17.172 ( -0.342 0.000 1.036) 1.091 24.522 ( -4.400 0.000 1.438) 4.629 24.781 ( -0.378 0.000 4.068) 4.085 24.981 ( 1.569 0.000 2.599) 3.036 25.290 ( -9.271 0.000 -9.682) 13.405 25.507 ( 0.850 0.000 2.826) 2.951 25.697 ( 2.320 0.000 0.165) 2.326 25.728 ( -2.302 0.000 2.577) 3.456 26.409 ( 52.821 0.000 64.468) 83.344 27.074 ( 2.279 0.000 3.166) 3.901 27.387 ( -2.511 0.000 3.135) 4.016 27.478 ( -34.481 0.000 -49.039) 59.948 28.097 ( -1.299 0.000 -4.294) 4.486 29.493 ( -1.134 0.000 0.470) 1.227 29.850 ( -1.538 0.000 0.426) 1.596 30.653 ( 0.896 0.000 -0.935) 1.295 30.728 ( -4.543 0.000 -11.988) 12.820 ======================= Grid point 55 (23/104) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -13.602 24.911 25.009) 37.829 1.061 ( 9.985 30.298 20.078) 37.693 1.964 ( -7.260 46.595 43.299) 64.021 2.552 ( 1.707 8.776 8.215) 12.142 2.982 ( -5.972 20.680 23.187) 31.638 3.344 ( 2.605 0.024 -6.548) 7.047 3.451 ( -1.007 8.650 0.923) 8.757 3.625 ( -6.977 2.633 -1.202) 7.554 3.731 ( 1.127 4.107 5.975) 7.338 3.897 ( 6.457 -2.998 1.872) 7.361 3.944 ( 4.812 3.676 4.499) 7.544 4.015 ( 3.493 -3.568 3.850) 6.305 4.103 ( -6.787 2.081 5.710) 9.111 4.238 ( 0.608 -3.824 -3.781) 5.412 4.355 ( 0.884 -4.735 -0.319) 4.827 4.495 ( -0.818 -1.463 0.702) 1.818 4.584 ( 4.298 10.311 -0.892) 11.207 4.784 ( -4.046 -7.476 -9.233) 12.550 4.952 ( -10.353 12.642 5.180) 17.141 5.332 ( 5.295 -6.453 -11.136) 13.917 5.638 ( 0.731 5.205 -9.877) 11.188 5.720 ( -1.089 -3.796 1.429) 4.200 5.951 ( 6.129 -12.698 3.315) 14.484 6.024 ( 12.223 -3.903 -4.858) 13.720 6.128 ( 2.352 -7.682 4.393) 9.156 6.428 ( -6.107 5.513 -8.036) 11.500 6.560 ( 2.865 -9.533 -0.602) 9.972 6.662 ( -1.002 -10.422 6.323) 12.231 6.746 ( -1.651 7.854 -3.618) 8.804 6.870 ( 0.765 6.245 -1.975) 6.595 7.060 ( -4.195 -7.886 0.829) 8.971 7.098 ( -9.424 3.503 -0.205) 10.057 7.419 ( -5.181 0.832 -2.809) 5.952 7.490 ( -0.934 1.398 2.444) 2.967 7.546 ( 1.281 -3.333 -1.344) 3.815 7.638 ( 1.030 5.521 -1.232) 5.750 7.734 ( -1.000 3.097 -12.343) 12.765 7.923 ( -2.197 11.008 -1.192) 11.289 8.163 ( 20.601 -3.596 -1.346) 20.956 8.327 ( -0.701 -1.220 4.439) 4.657 8.593 ( -8.642 -0.561 3.194) 9.231 8.671 ( 6.988 2.648 0.444) 7.486 8.802 ( 3.755 -1.556 1.548) 4.349 8.974 ( 4.611 0.119 -1.629) 4.892 9.149 ( 0.672 3.773 -0.796) 3.914 9.218 ( 3.251 1.983 -1.426) 4.066 9.523 ( 2.143 1.726 -9.975) 10.347 9.718 ( -14.695 -16.891 16.213) 27.642 10.002 ( -3.920 -3.420 3.713) 6.392 10.306 ( -1.618 5.464 3.438) 6.655 10.676 ( -0.651 -10.267 5.632) 11.728 10.897 ( -1.672 -1.644 5.326) 5.819 10.945 ( -4.024 1.050 -0.575) 4.199 11.115 ( -1.294 -1.073 -2.256) 2.814 11.192 ( 8.740 -2.258 -4.179) 9.948 11.790 ( 1.871 2.261 -1.602) 3.343 11.932 ( -0.724 6.322 -3.275) 7.157 12.304 ( -4.040 -2.521 -2.169) 5.233 12.475 ( -3.518 13.672 -11.080) 17.946 12.711 ( 2.288 -4.503 -4.017) 6.454 13.151 ( 4.921 -2.090 -11.375) 12.569 13.263 ( 3.602 -8.598 -5.030) 10.592 13.475 ( -9.965 -2.559 -7.100) 12.500 13.592 ( 2.744 5.931 6.089) 8.932 13.683 ( -6.066 6.794 -3.870) 9.896 13.827 ( -15.719 -3.664 -0.464) 16.147 13.988 ( 3.225 -8.577 1.959) 9.370 14.194 ( 2.803 1.439 2.805) 4.218 14.561 ( 9.735 -13.943 6.965) 18.377 14.686 ( -5.123 0.538 1.552) 5.380 15.016 ( -4.747 -7.394 -2.383) 9.104 15.298 ( 29.218 1.291 15.776) 33.230 15.512 ( -10.148 -6.319 2.498) 12.213 16.139 ( 3.629 3.211 6.277) 7.930 16.221 ( 8.111 -0.651 -1.768) 8.327 16.390 ( -1.641 6.937 4.895) 8.647 16.617 ( -0.545 1.680 -3.311) 3.752 16.717 ( -2.151 3.470 -4.331) 5.952 16.808 ( 1.809 13.314 -9.149) 16.255 17.122 ( -2.883 -2.930 -1.004) 4.231 24.526 ( 1.126 2.938 -0.720) 3.227 24.754 ( -7.578 -1.706 1.445) 7.901 24.925 ( -9.149 -0.660 8.865) 12.756 25.001 ( -1.234 0.290 2.354) 2.673 25.509 ( -1.564 -2.123 3.614) 4.474 25.642 ( -0.478 -4.245 2.874) 5.149 25.685 ( -3.125 -3.254 3.155) 5.505 25.935 ( -6.481 -11.753 13.897) 19.320 27.112 ( 0.757 -2.343 5.628) 6.143 27.318 ( 3.839 1.471 2.282) 4.702 27.608 ( 12.166 -14.870 8.875) 21.164 28.051 ( 6.073 -3.925 -2.492) 7.649 29.723 ( -2.650 -3.096 -4.247) 5.886 30.077 ( 5.990 -7.887 -6.533) 11.865 30.866 ( 9.874 18.608 -7.149) 22.245 30.896 ( -10.298 30.292 -23.742) 39.841 ======================= Grid point 56 (24/104) ======================= q-point: ( 0.17 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 4.982 10.646 25.899) 28.441 1.465 ( 20.037 23.754 20.037) 36.976 2.220 ( 4.442 36.395 33.904) 49.938 2.623 ( 0.939 8.436 10.809) 13.743 2.985 ( -3.991 9.978 18.267) 21.194 3.252 ( -13.862 3.118 -0.256) 14.211 3.416 ( -6.426 7.833 4.418) 11.053 3.474 ( -2.891 1.490 -3.074) 4.475 3.705 ( -2.676 12.917 1.109) 13.238 3.970 ( 2.625 -4.840 5.382) 7.700 3.999 ( -4.852 -0.756 3.580) 6.077 4.033 ( -1.615 -6.642 -0.190) 6.838 4.121 ( -0.276 0.120 7.411) 7.417 4.220 ( 3.266 3.798 -0.887) 5.087 4.306 ( -8.070 -2.185 2.114) 8.624 4.508 ( -2.493 5.318 -3.057) 6.621 4.609 ( -1.387 -0.964 -3.323) 3.728 4.752 ( 8.237 -3.089 -0.992) 8.853 4.864 ( 0.415 8.422 7.524) 11.301 5.380 ( 6.140 -8.452 -10.997) 15.168 5.628 ( 2.232 -0.000 -3.733) 4.349 5.685 ( -1.095 1.404 -3.340) 3.785 5.953 ( -1.054 2.455 -3.534) 4.431 6.116 ( -3.745 -9.452 -1.406) 10.264 6.197 ( -2.385 -0.611 -7.749) 8.130 6.242 ( -7.317 -0.813 -2.957) 7.934 6.521 ( -11.539 -3.835 -2.394) 12.393 6.622 ( -0.906 -7.514 3.194) 8.214 6.738 ( -0.135 7.092 1.072) 7.174 6.842 ( -0.133 -0.346 -2.668) 2.693 7.003 ( 2.238 -3.470 -1.621) 4.436 7.077 ( 2.878 -3.329 5.328) 6.910 7.312 ( -7.840 7.611 -7.194) 13.082 7.391 ( 0.881 0.097 -0.306) 0.938 7.527 ( 2.060 0.925 -8.445) 8.742 7.699 ( 1.414 1.043 -1.447) 2.276 7.784 ( 5.927 -1.525 1.947) 6.422 7.907 ( 1.003 5.767 2.063) 6.206 8.315 ( -2.802 1.703 4.137) 5.279 8.449 ( -3.781 -2.584 -2.119) 5.046 8.560 ( 17.464 -5.256 -2.371) 18.391 8.737 ( -0.293 5.573 -2.468) 6.102 8.892 ( 5.190 -0.823 -2.062) 5.645 9.012 ( 2.292 -4.489 -4.624) 6.840 9.183 ( 3.232 -2.294 -0.700) 4.024 9.301 ( 2.091 4.315 5.168) 7.050 9.442 ( -15.857 2.726 10.963) 19.469 9.513 ( 1.460 -2.262 -8.236) 8.665 9.993 ( 0.686 -1.968 4.599) 5.049 10.249 ( -4.476 7.520 2.161) 9.014 10.642 ( -5.280 -9.311 5.951) 12.247 10.843 ( -4.348 -2.766 3.398) 6.172 11.000 ( 6.141 -3.385 -1.303) 7.132 11.196 ( 8.607 -1.482 -4.067) 9.634 11.344 ( 9.065 -1.779 -5.049) 10.528 11.812 ( 0.793 -1.866 5.590) 5.947 11.911 ( -1.792 7.089 0.198) 7.314 12.198 ( -4.479 4.183 -3.888) 7.258 12.401 ( -1.358 6.068 -3.435) 7.104 12.659 ( -5.012 -8.832 -5.861) 11.725 13.094 ( -6.780 -2.070 -4.403) 8.346 13.179 ( -2.645 -1.553 -3.522) 4.670 13.259 ( -5.781 -1.246 -10.881) 12.384 13.568 ( -2.904 0.538 5.103) 5.896 13.690 ( 1.497 5.549 5.573) 8.005 13.756 ( 2.851 -0.193 -4.770) 5.561 14.032 ( 2.005 -3.767 3.075) 5.260 14.253 ( 1.026 -0.073 4.338) 4.458 14.672 ( 4.086 -0.868 -3.344) 5.351 14.749 ( 3.579 -5.388 7.214) 9.690 14.945 ( 0.002 -17.003 -2.549) 17.193 15.365 ( -6.286 -3.301 -0.644) 7.129 15.719 ( 8.363 -0.094 4.256) 9.384 16.236 ( 1.786 0.580 7.582) 7.811 16.320 ( 1.281 -5.135 2.066) 5.681 16.353 ( -4.330 7.585 4.242) 9.710 16.615 ( 0.566 0.141 -6.639) 6.664 16.688 ( 3.539 7.018 -1.807) 8.065 16.783 ( 2.502 10.693 -5.254) 12.174 17.105 ( 1.045 -0.026 -4.224) 4.352 24.568 ( 3.352 2.539 0.192) 4.210 24.675 ( 0.169 0.184 1.250) 1.275 24.921 ( -0.426 2.145 11.411) 11.619 24.975 ( -3.140 1.016 2.190) 3.961 25.474 ( -3.176 -0.776 1.816) 3.740 25.618 ( -3.216 1.168 -0.996) 3.564 25.671 ( 0.050 -6.135 5.770) 8.423 25.901 ( -2.024 -0.534 5.709) 6.080 27.104 ( -3.616 -1.059 4.187) 5.633 27.369 ( 1.482 1.675 1.696) 2.807 27.830 ( 5.434 -23.540 1.317) 24.194 28.232 ( 10.576 -17.793 0.363) 20.702 29.591 ( -7.245 -0.185 -4.281) 8.417 30.146 ( 4.219 -14.026 -5.448) 15.627 30.581 ( -10.671 34.725 -7.733) 37.142 30.969 ( 5.744 18.709 -8.711) 21.422 ======================= Grid point 57 (25/104) ======================= q-point: ( 0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 15.003 -1.332 20.296) 25.275 1.921 ( 13.138 11.415 21.610) 27.747 2.309 ( -4.238 22.997 10.220) 25.519 2.644 ( -8.481 8.764 8.839) 15.063 2.903 ( -11.265 1.391 -1.883) 11.505 3.184 ( 7.000 -1.441 16.328) 17.824 3.210 ( -11.206 17.678 9.073) 22.812 3.478 ( -1.089 3.478 -2.698) 4.534 3.680 ( -1.162 8.465 0.950) 8.597 3.840 ( -14.332 5.708 4.266) 16.006 3.960 ( -2.978 -2.266 1.752) 4.132 3.992 ( -3.137 -7.997 0.578) 8.609 4.146 ( -3.465 9.655 -2.740) 10.618 4.246 ( 6.801 -1.750 9.619) 11.909 4.322 ( -0.396 3.146 0.941) 3.308 4.358 ( -5.137 3.508 -0.307) 6.228 4.612 ( 4.164 -6.838 -1.189) 8.094 4.869 ( 4.100 -0.414 0.237) 4.127 5.056 ( 9.767 0.587 10.287) 14.197 5.429 ( -1.671 -8.290 -7.567) 11.348 5.549 ( -8.160 8.708 -15.658) 19.687 5.695 ( 1.576 -6.054 3.740) 7.289 5.807 ( -3.007 7.642 -9.245) 12.366 5.983 ( -5.027 1.251 -1.098) 5.295 6.006 ( -3.889 -6.557 -6.840) 10.242 6.265 ( 0.970 2.340 4.259) 4.955 6.304 ( -7.294 -1.603 -7.231) 10.395 6.622 ( -1.632 2.333 8.239) 8.717 6.723 ( -2.826 11.701 6.427) 13.646 6.865 ( 4.076 -2.467 -4.289) 6.410 7.018 ( -2.977 -3.732 -2.360) 5.325 7.167 ( 5.432 2.811 -9.200) 11.047 7.228 ( 1.464 -3.956 7.426) 8.541 7.435 ( 2.381 -3.391 2.537) 4.858 7.548 ( 2.980 -1.781 -0.441) 3.499 7.706 ( 0.468 3.274 -3.546) 4.849 7.860 ( 3.256 0.404 2.367) 4.046 8.022 ( 7.147 3.715 0.142) 8.056 8.265 ( -2.191 1.357 -1.360) 2.914 8.391 ( -4.238 -0.989 0.058) 4.352 8.611 ( -0.984 1.632 -7.752) 7.983 8.744 ( -3.486 -6.809 3.505) 8.414 8.896 ( -2.584 -0.589 -1.536) 3.063 9.075 ( 4.671 -4.345 -5.475) 8.406 9.235 ( 2.429 3.397 -9.258) 10.156 9.361 ( 1.143 3.074 10.908) 11.391 9.372 ( 3.737 -0.823 -3.242) 5.015 9.518 ( 4.523 -2.655 -1.437) 5.438 9.990 ( -4.214 -0.891 3.659) 5.651 10.249 ( 3.634 5.970 2.179) 7.321 10.570 ( -6.459 -8.950 8.624) 14.007 10.792 ( -2.890 -0.347 2.153) 3.620 11.086 ( 4.631 -3.240 -3.543) 6.670 11.253 ( 1.415 -1.949 -3.746) 4.454 11.562 ( 14.334 -5.241 1.874) 15.377 11.769 ( -6.748 -2.721 -1.693) 7.471 11.888 ( -3.790 2.123 1.748) 4.682 12.144 ( 1.749 9.897 -2.175) 10.283 12.379 ( 0.101 2.570 0.870) 2.715 12.488 ( -8.239 -12.422 -7.066) 16.496 13.015 ( -1.881 0.727 -6.068) 6.394 13.049 ( -3.050 8.186 -8.836) 12.426 13.223 ( 1.968 -11.912 3.761) 12.645 13.575 ( 0.667 -0.061 4.268) 4.320 13.701 ( -0.996 1.562 -1.756) 2.553 13.827 ( 4.486 1.281 4.042) 6.173 14.113 ( 3.731 -0.495 4.119) 5.580 14.228 ( -4.894 -3.331 1.016) 6.007 14.706 ( -0.425 1.519 -2.986) 3.377 14.848 ( 8.294 -2.491 -0.058) 8.661 14.956 ( -0.644 -22.211 -2.868) 22.404 15.263 ( -5.572 -3.378 3.054) 7.196 15.788 ( 2.785 8.839 -3.137) 9.784 16.230 ( -9.656 7.318 1.415) 12.198 16.249 ( -2.214 -3.343 2.485) 4.717 16.342 ( -0.538 0.258 2.291) 2.367 16.583 ( -0.651 -0.358 -2.344) 2.459 16.786 ( 6.238 3.740 -3.072) 7.896 16.870 ( 6.468 11.387 -0.013) 13.096 17.096 ( 0.456 1.968 -2.774) 3.432 24.656 ( 5.184 1.045 2.069) 5.679 24.712 ( 2.342 0.223 -0.055) 2.353 24.909 ( -4.978 2.041 1.917) 5.712 24.998 ( 1.564 1.622 13.830) 14.013 25.429 ( -2.333 -0.781 1.370) 2.816 25.564 ( -1.901 3.512 -0.839) 4.080 25.699 ( -0.167 -6.412 4.339) 7.744 25.902 ( -0.849 0.644 2.756) 2.954 27.049 ( -3.616 -0.514 2.666) 4.522 27.402 ( 0.858 1.741 2.490) 3.157 27.880 ( 1.479 -18.979 -2.731) 19.231 28.330 ( 1.326 -17.548 -6.060) 18.613 29.477 ( -2.920 -0.283 -0.466) 2.970 30.166 ( 1.379 -13.879 -6.993) 15.602 30.443 ( -3.106 28.712 0.946) 28.895 31.011 ( 3.405 17.055 -6.018) 18.403 ======================= Grid point 58 (26/104) ======================= q-point: (-0.50 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -6.100 0.486 13.607) 14.920 1.845 ( -25.752 2.015 12.910) 28.877 2.383 ( -6.623 3.285 2.156) 7.701 2.580 ( 17.521 12.836 6.700) 22.729 2.848 ( 0.912 3.956 6.724) 7.855 3.124 ( -0.421 21.823 9.399) 23.765 3.315 ( -16.654 17.360 9.614) 25.907 3.412 ( -0.087 4.320 -1.838) 4.696 3.576 ( -4.580 -0.362 7.609) 8.888 3.736 ( 1.440 11.577 -0.103) 11.667 3.917 ( 1.123 -7.305 -2.363) 7.759 4.012 ( 0.198 -9.157 -2.934) 9.618 4.050 ( -3.516 6.623 2.949) 8.058 4.234 ( -3.003 3.921 0.496) 4.963 4.365 ( -0.875 4.852 5.846) 7.647 4.441 ( 8.996 0.729 7.112) 11.491 4.675 ( -0.428 1.363 -0.393) 1.482 4.846 ( -13.257 5.301 -7.642) 16.194 5.019 ( -4.660 -9.367 -0.770) 10.490 5.391 ( 12.996 0.077 1.798) 13.121 5.529 ( -3.266 -6.140 -10.276) 12.408 5.645 ( 5.550 1.591 -7.764) 9.675 5.809 ( -0.523 -1.565 -0.908) 1.883 5.948 ( 0.272 2.014 0.191) 2.041 6.019 ( 5.754 -0.968 -2.242) 6.251 6.141 ( -2.232 -7.053 -5.645) 9.306 6.365 ( 5.704 1.706 3.728) 7.025 6.643 ( -0.393 8.420 4.254) 9.442 6.737 ( -0.905 11.021 13.389) 17.365 6.902 ( -2.474 0.558 -9.283) 9.623 6.950 ( 3.243 -4.400 3.300) 6.385 7.163 ( -2.039 -3.169 -2.135) 4.331 7.336 ( 4.402 -2.212 4.605) 6.744 7.499 ( 1.955 -4.720 6.724) 8.444 7.611 ( 2.413 0.337 0.770) 2.555 7.723 ( 1.931 6.815 2.216) 7.422 7.909 ( 0.773 -1.611 -0.392) 1.829 8.046 ( -2.146 2.877 -6.156) 7.126 8.199 ( -11.806 6.382 -3.925) 13.982 8.310 ( 4.759 3.371 -1.590) 6.044 8.616 ( 0.436 -7.845 1.908) 8.085 8.686 ( -0.227 -7.367 -5.082) 8.953 8.845 ( -1.421 1.568 -2.023) 2.928 9.098 ( 0.461 -1.764 -4.591) 4.940 9.156 ( -1.710 1.458 -12.337) 12.540 9.364 ( -1.991 -1.341 2.233) 3.278 9.439 ( 0.856 1.039 2.936) 3.229 9.659 ( 6.640 -3.816 0.035) 7.659 9.948 ( -0.359 1.187 1.317) 1.809 10.341 ( 3.037 2.525 4.050) 5.657 10.488 ( -6.948 -9.402 9.538) 15.088 10.770 ( -0.089 2.621 1.516) 3.029 11.172 ( 6.709 -1.242 -2.644) 7.317 11.255 ( -0.901 -6.243 2.838) 6.917 11.596 ( -8.047 -0.258 -6.986) 10.659 11.757 ( -7.665 1.847 -5.820) 9.800 11.817 ( 8.796 -5.456 4.108) 11.136 12.208 ( 4.273 5.265 1.206) 6.887 12.368 ( 1.302 -13.330 -6.090) 14.713 12.431 ( 3.626 4.678 4.683) 7.547 12.918 ( -2.214 5.007 -7.448) 9.244 12.994 ( 0.431 6.423 -9.085) 11.135 13.339 ( 5.668 -12.508 7.000) 15.413 13.622 ( -0.908 -0.045 3.737) 3.846 13.673 ( 1.402 -2.145 1.336) 2.890 13.925 ( 2.439 3.205 6.440) 7.596 14.111 ( -5.885 -5.645 -1.369) 8.269 14.190 ( 1.491 3.668 2.110) 4.487 14.677 ( -0.116 -0.175 -3.891) 3.896 14.846 ( -7.020 -18.962 -7.568) 21.590 15.014 ( 8.434 -4.099 -1.809) 9.550 15.180 ( -5.814 -5.356 4.563) 9.127 15.858 ( 6.571 11.364 -3.561) 13.601 16.057 ( -8.710 5.567 0.671) 10.359 16.200 ( -3.158 -2.973 -3.658) 5.674 16.312 ( -2.734 3.022 0.663) 4.129 16.581 ( 1.459 0.667 -1.429) 2.149 16.839 ( 0.762 5.295 -3.485) 6.384 16.949 ( 0.892 8.617 1.752) 8.838 17.128 ( 3.569 2.588 1.336) 4.607 24.716 ( -1.867 -0.332 1.754) 2.583 24.773 ( 3.380 1.083 1.770) 3.966 24.836 ( -1.888 1.930 2.737) 3.845 25.128 ( 3.645 -0.574 17.851) 18.229 25.404 ( -0.992 -1.329 0.422) 1.711 25.537 ( -0.806 3.968 -0.277) 4.059 25.704 ( -1.590 -6.102 3.866) 7.397 25.889 ( -1.739 0.491 1.428) 2.303 27.015 ( -1.171 0.086 1.834) 2.178 27.423 ( -0.286 1.562 3.015) 3.407 27.861 ( -1.426 -18.422 -5.888) 19.392 28.248 ( -4.077 -11.227 -11.781) 16.777 29.477 ( 1.986 -1.215 2.212) 3.211 30.131 ( -0.575 -7.261 -7.765) 10.646 30.446 ( 1.663 19.423 3.030) 19.728 31.043 ( 3.242 16.120 -4.690) 17.098 ======================= Grid point 59 (27/104) ======================= q-point: (-0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -28.671 1.203 12.213) 31.187 1.432 ( -25.346 10.730 15.666) 31.670 2.365 ( 3.283 9.238 2.575) 10.136 2.811 ( -29.678 33.292 11.767) 46.126 2.911 ( -1.040 15.496 21.577) 26.585 3.059 ( 14.948 5.334 6.273) 17.067 3.249 ( 6.974 9.806 -1.067) 12.080 3.396 ( 2.531 5.315 2.297) 6.319 3.598 ( 1.344 7.200 -1.141) 7.413 3.746 ( -0.374 8.793 2.871) 9.258 3.888 ( -1.448 0.490 -9.255) 9.381 4.012 ( 3.457 -7.728 -1.000) 8.525 4.097 ( 3.179 -9.112 4.196) 10.523 4.173 ( -2.923 5.286 -1.342) 6.188 4.415 ( 0.779 0.348 12.589) 12.617 4.521 ( -5.852 2.990 -9.406) 11.474 4.616 ( 0.844 9.593 4.126) 10.477 4.717 ( 4.475 -2.741 -1.249) 5.394 5.022 ( -1.116 -4.195 8.040) 9.137 5.310 ( -4.081 -5.544 -12.259) 14.060 5.603 ( 3.657 -7.944 -9.496) 12.909 5.725 ( 3.836 14.109 -7.464) 16.416 5.845 ( 3.991 -11.362 -0.107) 12.043 5.950 ( -0.780 -6.021 1.567) 6.270 6.146 ( 2.913 -9.269 -7.721) 12.411 6.173 ( 15.314 1.225 1.132) 15.404 6.500 ( 4.647 -2.207 4.638) 6.926 6.656 ( 0.777 7.812 1.130) 7.931 6.792 ( -2.577 5.103 4.320) 7.165 6.809 ( -0.975 3.796 3.232) 5.080 7.070 ( -1.570 -11.437 4.041) 12.231 7.085 ( 3.057 1.809 2.271) 4.216 7.439 ( 4.766 1.178 2.289) 5.417 7.568 ( 0.229 -1.953 5.622) 5.956 7.656 ( 4.041 1.592 -0.383) 4.360 7.726 ( -6.339 8.666 3.867) 11.412 7.842 ( -9.155 -2.863 0.332) 9.598 7.927 ( -6.822 1.524 -7.447) 10.214 8.035 ( 1.018 6.893 2.138) 7.288 8.364 ( 0.584 3.701 -5.241) 6.443 8.621 ( -3.337 -8.052 -9.400) 12.819 8.633 ( 0.974 -5.347 1.369) 5.605 8.837 ( 1.131 5.015 -0.121) 5.142 9.000 ( -3.696 3.042 -10.404) 11.452 9.151 ( 2.488 -3.559 -2.580) 5.051 9.295 ( -4.969 1.468 -1.366) 5.358 9.489 ( 3.211 2.682 1.269) 4.372 9.718 ( -0.008 -7.487 3.659) 8.333 9.984 ( 2.423 -2.829 1.902) 4.183 10.321 ( -6.062 4.588 5.638) 9.465 10.514 ( 3.949 -9.373 7.600) 12.697 10.800 ( 2.031 2.837 2.272) 4.164 11.178 ( -5.290 -8.047 2.963) 10.076 11.287 ( -1.870 -5.545 -4.510) 7.388 11.435 ( -3.885 3.636 -7.164) 8.924 11.614 ( -0.814 1.574 -3.816) 4.207 11.928 ( 2.405 -4.697 2.644) 5.902 12.294 ( 3.064 -0.894 3.284) 4.580 12.463 ( 10.340 -12.684 -7.284) 17.912 12.571 ( 8.628 8.697 8.634) 14.988 12.848 ( -1.754 8.944 -8.609) 12.538 13.015 ( 7.794 5.819 -7.378) 12.208 13.443 ( 2.187 -3.398 -0.702) 4.102 13.586 ( -2.195 -6.190 6.179) 9.017 13.774 ( 4.368 -6.484 7.501) 10.835 13.965 ( -2.311 3.792 5.005) 6.691 14.017 ( -2.493 -3.322 -1.739) 4.503 14.206 ( 0.310 5.318 1.929) 5.666 14.599 ( -9.548 -19.789 -8.674) 23.622 14.714 ( 1.134 0.447 -1.842) 2.209 15.084 ( -6.368 -3.385 -0.574) 7.234 15.117 ( 3.461 -5.293 -3.312) 7.139 15.920 ( -5.286 0.947 -2.149) 5.784 15.973 ( 3.800 6.295 2.490) 7.763 16.098 ( -2.911 0.820 -8.121) 8.665 16.292 ( 0.715 4.645 1.447) 4.918 16.614 ( 2.854 2.393 -1.897) 4.180 16.796 ( -2.036 8.977 -5.114) 10.531 16.932 ( -4.373 2.678 4.520) 6.836 17.197 ( 2.317 4.316 0.612) 4.937 24.637 ( -6.032 1.215 1.430) 6.317 24.791 ( -0.484 2.259 2.772) 3.608 24.904 ( 3.776 -1.038 3.719) 5.400 25.313 ( 3.388 -8.362 19.120) 21.141 25.381 ( -1.078 -2.171 0.609) 2.499 25.541 ( 1.233 3.250 3.600) 5.004 25.684 ( -2.726 -4.983 4.413) 7.193 25.859 ( -2.182 -0.198 2.501) 3.325 27.026 ( 1.069 0.242 1.837) 2.139 27.417 ( -2.134 1.213 2.265) 3.340 27.736 ( -7.957 -16.515 -12.009) 21.915 28.102 ( -3.883 -6.563 -10.516) 12.990 29.561 ( 5.840 0.119 1.844) 6.125 30.076 ( -0.719 -2.527 -7.618) 8.058 30.526 ( 5.755 16.521 1.425) 17.552 31.079 ( 3.466 15.736 -5.860) 17.145 ======================= Grid point 60 (28/104) ======================= q-point: (-0.17 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -10.398 20.203 22.997) 32.329 1.112 ( -18.196 21.007 24.731) 37.203 2.226 ( -36.456 48.460 24.894) 65.552 2.464 ( 4.094 9.410 5.080) 11.450 2.959 ( -4.942 21.774 22.901) 31.984 3.306 ( 5.146 -1.827 -5.047) 7.436 3.411 ( 10.998 5.694 -3.191) 12.789 3.565 ( 11.092 3.843 8.418) 14.445 3.596 ( 0.587 13.095 3.462) 13.558 3.800 ( 1.102 3.360 1.580) 3.873 3.869 ( 6.604 -6.340 -4.162) 10.056 4.007 ( -3.277 -4.207 -2.253) 5.789 4.162 ( -1.689 1.369 6.775) 7.115 4.180 ( 5.240 -2.368 -3.290) 6.625 4.428 ( -4.973 0.333 4.437) 6.673 4.455 ( 1.729 -2.180 -5.055) 5.771 4.575 ( -1.630 5.193 1.082) 5.549 4.822 ( 3.250 -3.379 -2.025) 5.107 5.051 ( -2.695 8.523 10.861) 14.067 5.273 ( 6.140 -6.307 -9.734) 13.124 5.600 ( 4.083 -9.693 -3.678) 11.143 5.711 ( 0.529 13.815 -10.811) 17.550 5.846 ( -0.905 -5.643 -4.093) 7.029 6.015 ( 2.491 -11.661 7.289) 13.976 6.076 ( -1.604 -8.161 -10.488) 13.385 6.475 ( 11.275 -3.500 -0.760) 11.830 6.542 ( -2.206 2.600 0.818) 3.506 6.655 ( -2.010 -5.097 0.090) 5.480 6.773 ( 2.304 12.295 -5.074) 13.499 6.824 ( -0.744 0.621 6.268) 6.343 7.046 ( 0.210 -4.500 9.737) 10.729 7.274 ( 10.792 -7.725 4.186) 13.916 7.380 ( -14.563 1.156 -4.886) 15.404 7.547 ( -0.091 0.725 -5.064) 5.116 7.596 ( -3.139 8.100 1.041) 8.749 7.678 ( -8.296 -3.521 4.447) 10.050 7.805 ( 7.670 5.519 -7.415) 12.011 7.859 ( 2.492 -0.778 7.063) 7.530 8.040 ( -4.594 9.526 -3.159) 11.037 8.317 ( 0.067 -2.468 -2.363) 3.417 8.549 ( 2.062 1.394 -2.120) 3.270 8.659 ( -0.014 0.002 3.122) 3.122 8.847 ( -5.789 0.871 -1.119) 5.960 8.897 ( 2.324 3.477 -2.342) 4.793 9.172 ( 0.167 -0.498 -3.243) 3.286 9.210 ( -1.418 2.956 -3.239) 4.609 9.531 ( 2.755 2.559 -8.322) 9.132 9.754 ( -1.161 -14.755 14.151) 20.477 10.023 ( -0.416 -5.363 4.259) 6.862 10.283 ( -0.063 6.054 3.689) 7.089 10.623 ( 2.639 -8.684 6.639) 11.245 10.867 ( 2.992 1.440 4.022) 5.216 11.064 ( -7.903 -8.054 1.678) 11.408 11.159 ( -4.605 -1.769 -3.438) 6.013 11.273 ( -8.744 -2.278 -6.943) 11.395 11.711 ( 7.403 3.119 -1.709) 8.213 11.958 ( 0.562 -1.470 -1.880) 2.452 12.340 ( 0.283 -3.909 1.130) 4.079 12.578 ( 4.271 -0.076 -8.337) 9.367 12.695 ( -1.362 2.226 -8.351) 8.750 12.941 ( 19.649 11.333 1.401) 22.726 13.152 ( 8.206 -3.977 -8.174) 12.246 13.474 ( 3.948 8.394 4.608) 10.358 13.591 ( -2.044 -8.805 2.334) 9.335 13.858 ( -7.225 2.479 -4.309) 8.770 13.894 ( 3.247 -9.119 3.942) 10.452 14.040 ( 4.732 -1.426 7.687) 9.138 14.215 ( -8.918 -7.661 -5.318) 12.904 14.386 ( -0.816 -12.731 3.926) 13.347 14.814 ( 7.470 4.325 7.453) 11.404 14.903 ( -9.374 4.823 -6.091) 12.175 15.107 ( -2.441 -5.713 -3.160) 6.970 15.732 ( -13.543 -8.967 0.932) 16.269 16.051 ( 3.297 4.217 2.768) 6.026 16.095 ( 5.976 4.569 -4.365) 8.698 16.349 ( 3.222 5.918 2.571) 7.212 16.648 ( 0.595 1.782 -1.540) 2.429 16.747 ( 2.149 10.892 -10.119) 15.022 16.847 ( -6.349 3.406 4.485) 8.487 17.197 ( -2.395 1.565 -1.370) 3.172 24.548 ( -3.519 2.210 0.674) 4.210 24.797 ( -0.916 1.346 3.794) 4.129 24.973 ( 1.551 -1.055 3.209) 3.717 25.204 ( -13.202 -8.812 -3.991) 16.367 25.482 ( 0.992 -5.831 9.443) 11.143 25.647 ( 1.674 -3.759 0.888) 4.210 25.670 ( -0.643 -5.661 14.428) 15.512 25.883 ( 1.172 -10.768 17.166) 20.297 27.057 ( 0.886 -0.790 2.376) 2.656 27.326 ( -6.784 3.171 -4.721) 8.852 27.528 ( -4.534 -2.397 -2.319) 5.629 28.025 ( 0.066 -4.323 -5.782) 7.219 29.692 ( 6.662 -1.197 -0.940) 6.833 30.039 ( 1.614 -1.690 -7.717) 8.064 30.679 ( 11.500 20.201 -4.140) 23.611 31.083 ( 0.921 17.304 -13.551) 21.998 ======================= Grid point 61 (29/104) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -11.263 31.402 16.024) 37.009 1.747 ( 7.924 33.031 9.570) 35.291 2.699 ( 2.702 5.523 6.406) 8.879 2.905 ( -8.654 32.473 12.482) 35.849 3.265 ( 5.827 -8.369 -5.347) 11.515 3.435 ( -5.525 16.353 10.456) 20.181 3.624 ( -5.169 7.481 9.058) 12.835 3.660 ( -3.635 -0.649 -7.710) 8.549 3.722 ( -5.919 3.353 -1.943) 7.075 3.761 ( 2.123 -7.784 0.076) 8.069 4.005 ( 5.948 2.493 5.645) 8.571 4.152 ( 2.931 6.459 7.113) 10.045 4.219 ( -2.514 8.904 0.753) 9.283 4.246 ( -2.573 0.483 0.246) 2.629 4.280 ( 1.937 5.378 13.697) 14.842 4.499 ( -2.665 4.477 -1.635) 5.460 4.699 ( -1.950 2.311 -4.488) 5.411 4.788 ( 2.679 5.039 -3.737) 6.822 5.095 ( -2.157 -1.822 -1.800) 3.348 5.266 ( -2.161 -1.453 -6.664) 7.154 5.351 ( 1.705 -9.935 8.375) 13.106 5.645 ( 1.807 -8.103 -0.361) 8.310 5.769 ( 9.748 -5.558 9.129) 14.465 6.079 ( 4.275 -0.141 -7.444) 8.586 6.174 ( 6.568 7.683 -6.784) 12.174 6.361 ( -0.936 -7.637 0.944) 7.751 6.393 ( -7.688 -7.883 3.798) 11.648 6.577 ( -8.966 -1.979 -2.039) 9.406 6.691 ( 4.928 -10.008 -0.661) 11.175 6.899 ( 0.850 4.089 -4.649) 6.250 7.101 ( -1.007 7.632 -3.742) 8.560 7.199 ( -6.634 3.156 6.441) 9.770 7.327 ( 5.831 -7.231 6.648) 11.423 7.493 ( -7.440 3.784 -2.245) 8.643 7.576 ( 0.030 1.935 -0.779) 2.086 7.713 ( -0.507 -0.845 -6.094) 6.173 7.788 ( -2.903 2.257 -5.907) 6.958 8.059 ( 13.143 1.676 -1.759) 13.366 8.177 ( 2.289 4.745 -1.231) 5.411 8.330 ( 2.046 3.212 4.405) 5.823 8.501 ( -5.204 -4.841 -2.341) 7.483 8.706 ( 4.579 -3.119 0.969) 5.625 8.833 ( 1.780 3.515 -3.425) 5.221 8.969 ( 0.235 -2.080 -5.219) 5.623 9.068 ( 0.820 -2.559 3.146) 4.137 9.374 ( 0.281 3.223 1.670) 3.641 9.470 ( -3.190 -2.589 4.416) 6.031 9.586 ( -2.121 2.714 -3.844) 5.162 9.947 ( -0.943 -1.849 4.941) 5.359 10.379 ( 0.742 -8.002 4.486) 9.204 10.470 ( -4.313 1.489 5.144) 6.876 10.866 ( -3.488 -2.458 0.873) 4.355 11.014 ( 1.749 2.084 -2.614) 3.773 11.080 ( -0.184 -2.572 -4.127) 4.866 11.209 ( 7.164 6.734 -2.245) 10.085 11.853 ( -0.682 3.298 -0.412) 3.393 12.007 ( 2.695 0.925 -2.665) 3.901 12.216 ( -2.341 -4.901 -1.293) 5.583 12.544 ( 0.873 -6.111 -7.305) 9.564 12.750 ( -4.217 9.499 -5.484) 11.751 12.941 ( -0.055 -13.494 -8.020) 15.697 13.231 ( -3.548 0.111 -9.203) 9.864 13.376 ( -1.213 -6.524 -4.068) 7.783 13.636 ( -5.603 -4.405 0.891) 7.183 13.683 ( -1.943 -11.931 -1.122) 12.140 13.755 ( -0.028 2.742 4.398) 5.182 13.874 ( 4.400 3.185 3.049) 6.229 14.217 ( 5.627 1.434 4.122) 7.121 14.356 ( 4.212 -2.995 10.103) 11.348 14.776 ( -7.231 4.605 -3.774) 9.366 14.864 ( -2.099 -5.926 -1.817) 6.544 15.262 ( 7.143 -4.904 12.687) 15.364 15.574 ( 2.989 7.991 1.481) 8.660 16.060 ( 4.908 -7.879 4.643) 10.379 16.307 ( 3.174 9.281 1.322) 9.897 16.548 ( -5.989 4.292 0.082) 7.369 16.677 ( -1.198 1.367 -3.187) 3.669 16.769 ( 3.841 5.263 -2.677) 7.044 16.969 ( 0.733 3.493 -5.105) 6.229 17.022 ( -3.589 -6.672 -0.642) 7.603 24.585 ( 0.916 2.499 -0.735) 2.761 24.711 ( -5.949 -2.031 2.380) 6.722 24.939 ( -1.058 1.666 7.282) 7.545 25.008 ( -0.533 0.254 2.806) 2.867 25.425 ( -0.511 -2.928 6.932) 7.543 25.565 ( -0.826 -4.036 0.820) 4.201 25.681 ( -0.720 2.479 2.058) 3.302 25.840 ( 0.811 -1.871 3.828) 4.337 27.083 ( -0.047 0.452 3.228) 3.259 27.408 ( -0.677 -6.327 1.470) 6.531 27.426 ( 0.732 5.725 -0.909) 5.843 27.935 ( 2.732 -7.035 -2.222) 7.867 29.659 ( -1.579 -2.137 -1.164) 2.901 29.879 ( 1.291 -8.875 -1.435) 9.082 31.157 ( 1.699 12.158 -3.437) 12.748 31.315 ( 1.548 10.488 -15.031) 18.394 ======================= Grid point 62 (30/104) ======================= q-point: ( 0.17 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -10.589 26.575 13.212) 31.511 2.002 ( 11.006 26.493 17.045) 33.370 2.725 ( -8.633 1.182 9.306) 12.749 2.871 ( -1.014 14.719 2.502) 14.965 3.235 ( -5.517 5.849 -7.299) 10.859 3.369 ( -11.949 11.705 4.488) 17.319 3.499 ( -1.378 1.515 -0.903) 2.238 3.593 ( -3.348 1.214 5.578) 6.618 3.660 ( 2.950 -0.088 6.261) 6.922 3.845 ( -3.273 -9.823 5.741) 11.840 3.911 ( -5.427 1.742 -4.756) 7.424 4.153 ( -6.869 2.662 0.895) 7.421 4.239 ( 1.895 -3.330 1.398) 4.079 4.260 ( 0.242 9.346 7.575) 12.033 4.382 ( 6.870 13.200 1.564) 14.962 4.490 ( -2.718 -0.099 1.619) 3.165 4.688 ( 3.179 13.733 0.741) 14.115 4.843 ( 2.508 2.855 -0.565) 3.843 5.028 ( -2.780 3.398 4.242) 6.105 5.181 ( -2.455 -7.849 -3.348) 8.879 5.435 ( 5.073 -5.585 2.338) 7.899 5.684 ( 1.578 -5.064 -1.992) 5.665 5.901 ( -3.648 -6.933 10.324) 12.960 6.075 ( 1.913 1.154 -10.615) 10.848 6.211 ( -9.841 -2.355 0.360) 10.126 6.303 ( 4.295 5.425 -1.542) 7.089 6.370 ( 6.250 1.105 -1.224) 6.464 6.609 ( 2.662 -3.603 2.700) 5.231 6.760 ( 2.687 -2.866 -3.320) 5.144 6.819 ( -2.776 -0.960 3.152) 4.308 7.021 ( -3.506 4.151 6.515) 8.483 7.126 ( -2.497 5.790 -0.772) 6.353 7.337 ( -5.733 0.108 -3.080) 6.509 7.507 ( 7.224 -4.811 -6.650) 10.934 7.534 ( -4.984 7.219 -2.354) 9.082 7.663 ( 0.142 -2.154 0.459) 2.207 7.758 ( 3.726 2.622 -7.019) 8.368 8.119 ( -0.386 11.871 -1.557) 11.979 8.341 ( -1.648 0.536 1.203) 2.110 8.388 ( 2.912 -5.885 4.878) 8.180 8.424 ( 6.433 -2.814 -0.401) 7.033 8.789 ( 4.608 -6.648 -7.232) 10.851 8.866 ( 2.426 0.304 -5.013) 5.577 8.946 ( -0.228 0.604 -3.156) 3.221 9.107 ( 1.926 -3.589 6.917) 8.027 9.379 ( -3.221 -6.046 5.714) 8.921 9.429 ( -1.389 4.184 -3.413) 5.575 9.499 ( -2.794 1.992 -4.943) 6.017 9.965 ( -0.739 -0.514 7.218) 7.274 10.384 ( -5.832 -10.752 7.533) 14.365 10.423 ( 0.265 6.409 2.381) 6.842 10.796 ( -2.846 -2.106 -0.502) 3.576 11.055 ( 3.387 5.097 -1.531) 6.308 11.148 ( 9.167 -2.534 -2.287) 9.782 11.361 ( 8.553 3.431 -8.295) 12.398 11.764 ( -6.434 -1.260 1.717) 6.777 11.983 ( -5.109 -0.198 -0.143) 5.115 12.211 ( 2.737 -0.348 0.275) 2.773 12.431 ( -7.419 -8.643 -5.951) 12.851 12.615 ( -6.692 7.983 -6.602) 12.333 12.924 ( 0.339 -16.089 -5.397) 16.973 13.026 ( -7.958 -4.145 -6.107) 10.854 13.308 ( -2.714 1.471 -7.043) 7.690 13.583 ( -2.519 -5.659 -1.171) 6.304 13.642 ( 0.508 -3.965 0.728) 4.063 13.775 ( -0.614 0.400 4.843) 4.898 14.002 ( 5.216 3.608 5.968) 8.709 14.293 ( 0.544 0.972 3.507) 3.680 14.557 ( 8.190 -3.889 8.531) 12.449 14.679 ( -0.594 2.299 -3.041) 3.858 14.808 ( -1.648 -2.331 -2.299) 3.665 15.271 ( -6.089 -6.820 3.670) 9.852 15.803 ( 11.819 7.092 6.292) 15.151 16.199 ( 5.693 -5.783 5.732) 9.936 16.311 ( -4.281 6.087 3.365) 8.167 16.464 ( -2.093 3.155 -1.519) 4.080 16.598 ( -3.274 -1.985 -6.066) 7.174 16.825 ( -2.467 1.907 -1.290) 3.374 16.904 ( 6.896 4.959 -0.980) 8.550 17.118 ( 7.634 0.911 -6.373) 9.986 24.614 ( 2.166 1.719 0.189) 2.772 24.676 ( 0.956 -0.138 0.866) 1.298 24.976 ( 0.444 2.885 8.816) 9.286 25.007 ( -1.456 1.946 2.616) 3.571 25.434 ( -1.733 -2.339 4.277) 5.173 25.553 ( -0.949 -4.648 1.814) 5.079 25.673 ( -0.914 3.442 0.865) 3.665 25.875 ( 0.531 -1.967 3.482) 4.034 27.081 ( -2.154 -0.403 2.694) 3.473 27.424 ( 1.080 -5.553 1.977) 5.993 27.453 ( 2.457 -2.406 -0.313) 3.454 27.977 ( 2.823 -10.665 -2.698) 11.357 29.587 ( -4.655 0.514 -1.434) 4.898 29.890 ( 0.539 -10.056 -1.171) 10.139 31.095 ( -4.326 16.851 -5.388) 18.213 31.289 ( 2.617 10.707 -9.992) 14.878 ======================= Grid point 63 (31/104) ======================= q-point: ( 0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 7.586 12.240 14.963) 20.767 2.187 ( -8.176 10.451 15.194) 20.172 2.536 ( -5.602 3.493 0.316) 6.610 2.875 ( -5.738 10.892 6.929) 14.127 2.950 ( -13.014 1.682 -3.270) 13.524 3.283 ( 2.286 6.328 0.254) 6.733 3.509 ( -1.600 -1.355 -2.088) 2.959 3.568 ( -3.294 -16.271 -5.581) 17.514 3.637 ( 1.085 10.528 7.705) 13.092 3.872 ( -6.436 4.568 8.199) 11.381 3.893 ( 1.022 6.616 4.462) 8.045 3.999 ( -3.348 3.007 6.873) 8.215 4.259 ( 1.872 3.397 -3.859) 5.471 4.356 ( 7.046 -1.566 2.318) 7.582 4.383 ( -6.998 3.723 2.485) 8.307 4.516 ( 1.977 12.274 -2.492) 12.679 4.722 ( 2.242 22.890 5.551) 23.660 4.851 ( -0.862 -4.889 -0.394) 4.980 5.090 ( 4.496 -0.354 6.895) 8.239 5.213 ( 4.718 -5.536 4.258) 8.428 5.515 ( -3.243 -6.662 -4.668) 8.757 5.652 ( -5.005 -3.452 -0.971) 6.157 5.769 ( -7.110 -0.394 2.739) 7.630 6.002 ( -5.244 0.082 -4.965) 7.222 6.093 ( -0.853 4.329 -4.903) 6.596 6.345 ( 1.387 6.027 -5.004) 7.955 6.402 ( -2.736 9.230 -0.323) 9.632 6.638 ( 4.841 2.388 7.093) 8.914 6.797 ( 0.113 -5.075 1.518) 5.298 6.962 ( -1.509 1.401 6.406) 6.729 6.976 ( 4.640 0.285 3.303) 5.703 7.114 ( 1.928 1.341 1.266) 2.668 7.263 ( -2.827 -1.004 0.401) 3.027 7.408 ( -4.299 5.913 -4.212) 8.437 7.515 ( 4.173 -1.459 -11.316) 12.149 7.693 ( 1.446 0.039 -2.484) 2.874 7.922 ( 12.593 -2.583 2.793) 13.155 8.136 ( 2.999 10.654 -0.189) 11.069 8.221 ( -5.181 -0.612 -6.821) 8.587 8.446 ( -0.158 3.556 5.570) 6.610 8.533 ( 0.011 -11.496 2.195) 11.703 8.703 ( -6.863 3.324 -7.414) 10.636 8.867 ( -0.580 -6.172 -3.506) 7.122 8.945 ( 3.210 -3.240 -6.410) 7.867 9.247 ( 4.114 -3.599 -1.418) 5.647 9.284 ( -1.497 -8.135 -3.304) 8.907 9.405 ( -1.620 2.938 7.668) 8.370 9.491 ( 2.732 0.394 -1.934) 3.371 9.977 ( -1.992 0.507 6.286) 6.613 10.307 ( -5.952 -7.327 7.936) 12.332 10.458 ( 0.871 5.604 3.593) 6.714 10.772 ( 0.497 -1.380 -0.875) 1.708 11.127 ( 4.997 6.382 -1.012) 8.168 11.273 ( 1.238 2.627 -5.745) 6.437 11.458 ( 11.116 -4.052 -2.239) 12.041 11.688 ( -3.625 -4.597 -1.662) 6.086 11.889 ( -4.150 -1.787 0.510) 4.547 12.189 ( -7.245 -6.083 -9.093) 13.122 12.322 ( -0.167 -1.994 2.874) 3.502 12.474 ( -3.150 5.172 -2.738) 6.646 12.868 ( -2.814 -16.127 -1.401) 16.431 12.954 ( 0.849 -5.157 -1.130) 5.347 13.245 ( -0.054 5.304 -5.975) 7.990 13.549 ( -0.489 -6.058 -0.447) 6.094 13.649 ( -0.305 -2.235 -3.124) 3.854 13.808 ( 0.672 -4.351 8.717) 9.766 14.103 ( 1.534 3.877 6.247) 7.511 14.288 ( -1.265 5.749 0.714) 5.930 14.654 ( -0.892 -4.305 -2.832) 5.230 14.689 ( 3.568 -4.056 -2.379) 5.903 14.828 ( 3.536 0.262 1.706) 3.935 15.164 ( -6.890 -6.364 3.477) 10.003 15.979 ( 5.865 10.092 1.744) 11.802 16.197 ( -4.354 -0.345 0.010) 4.368 16.318 ( -5.543 0.308 0.094) 5.552 16.386 ( 1.199 2.016 2.112) 3.156 16.565 ( 0.705 -0.579 -2.545) 2.704 16.797 ( 0.804 -1.954 0.034) 2.113 17.076 ( 9.757 6.773 -0.159) 11.878 17.181 ( 2.878 5.324 -7.293) 9.477 24.674 ( 3.546 0.652 1.978) 4.112 24.712 ( 1.665 -0.335 0.679) 1.830 24.976 ( -3.091 4.187 1.536) 5.426 25.043 ( 1.232 2.500 10.397) 10.764 25.413 ( -2.019 -0.895 1.985) 2.969 25.547 ( -0.931 -6.117 1.775) 6.437 25.662 ( -0.612 4.178 0.965) 4.331 25.890 ( -0.412 -1.674 1.858) 2.535 27.045 ( -2.348 0.552 1.853) 3.042 27.450 ( 0.393 -0.259 2.387) 2.433 27.502 ( 2.213 -11.772 0.263) 11.981 27.997 ( 1.340 -14.322 -5.293) 15.328 29.505 ( -3.000 2.660 -0.013) 4.010 29.886 ( -0.114 -10.979 -1.470) 11.078 31.000 ( -2.341 21.182 -4.881) 21.862 31.290 ( 2.102 9.432 -6.294) 11.532 ======================= Grid point 64 (32/104) ======================= q-point: (-0.50 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -4.347 8.069 11.273) 14.529 1.910 ( -14.660 3.863 7.487) 16.908 2.481 ( -5.732 6.741 0.170) 8.850 2.756 ( 4.539 2.738 -1.198) 5.435 2.969 ( 3.781 7.653 10.765) 13.738 3.374 ( 1.601 -6.730 4.861) 8.455 3.443 ( -1.362 5.185 -6.678) 8.563 3.547 ( 5.179 -4.048 2.267) 6.953 3.710 ( 1.828 -4.984 0.634) 5.346 3.805 ( -0.213 6.550 8.955) 11.097 3.965 ( 4.081 11.527 6.635) 13.912 4.005 ( -5.522 17.122 10.804) 20.985 4.275 ( -8.109 11.132 5.413) 14.798 4.291 ( 3.917 -1.667 -6.064) 7.409 4.470 ( -0.064 8.729 -0.303) 8.735 4.493 ( 4.666 5.704 0.039) 7.370 4.805 ( -0.151 5.194 2.781) 5.893 4.877 ( 0.199 0.732 7.625) 7.662 5.039 ( -18.395 13.817 -4.563) 23.454 5.281 ( 5.182 -13.907 -5.225) 15.734 5.368 ( -0.195 -2.686 2.238) 3.501 5.490 ( -5.655 -5.551 -2.331) 8.260 5.790 ( -0.558 -4.903 0.290) 4.944 5.950 ( 3.560 1.250 -2.782) 4.688 6.082 ( 2.884 4.860 -4.788) 7.407 6.269 ( -1.584 11.139 -12.370) 16.721 6.422 ( 0.539 1.604 4.680) 4.977 6.723 ( -0.339 -0.132 7.997) 8.006 6.785 ( -2.445 -3.986 1.823) 5.019 6.896 ( -4.130 -1.901 1.141) 4.687 7.037 ( 0.653 11.536 -0.961) 11.594 7.204 ( -2.734 2.313 4.376) 5.654 7.259 ( 6.187 -6.123 8.106) 11.894 7.380 ( 2.982 -0.567 -1.584) 3.424 7.601 ( 6.306 -2.791 -0.586) 6.921 7.705 ( 2.872 0.568 -5.704) 6.412 8.060 ( -3.471 7.393 -3.189) 8.768 8.155 ( 4.099 3.155 -0.583) 5.205 8.233 ( 8.830 -3.884 -3.671) 10.321 8.316 ( -15.719 2.660 -2.746) 16.177 8.505 ( -1.557 -3.371 4.314) 5.692 8.612 ( 0.265 1.028 -6.609) 6.694 8.872 ( 2.967 1.089 -1.466) 3.484 8.971 ( 2.529 -9.225 -4.202) 10.448 9.107 ( -4.203 -5.893 -11.353) 13.464 9.380 ( 2.488 -0.549 0.161) 2.553 9.439 ( -0.021 -1.450 10.863) 10.960 9.544 ( 2.248 -3.466 -0.522) 4.164 9.962 ( -2.207 0.911 3.179) 3.975 10.260 ( -3.672 -8.633 9.548) 13.386 10.480 ( -0.340 7.057 2.959) 7.660 10.793 ( 1.663 -0.370 -0.233) 1.720 11.206 ( -3.254 3.507 -2.029) 5.197 11.231 ( 5.490 4.710 -1.780) 7.450 11.566 ( -3.822 -4.289 -0.111) 5.746 11.679 ( 1.840 -2.148 -5.164) 5.888 11.808 ( 0.549 -1.298 -3.852) 4.102 12.058 ( 1.144 -12.789 -6.915) 14.584 12.285 ( -1.429 1.175 -1.055) 2.130 12.549 ( 6.835 5.338 6.067) 10.584 12.852 ( 2.092 -13.024 0.294) 13.195 12.991 ( 2.071 -3.615 0.712) 4.226 13.243 ( 2.615 1.891 -2.927) 4.357 13.539 ( -0.461 -9.086 -5.565) 10.664 13.621 ( -0.787 -0.052 2.929) 3.033 13.868 ( 0.298 -8.571 7.725) 11.542 14.101 ( -3.759 6.634 3.215) 8.275 14.290 ( 0.453 5.045 0.933) 5.151 14.572 ( -4.588 -2.250 -7.940) 9.443 14.716 ( 0.411 -2.481 -1.495) 2.925 14.911 ( 4.590 -3.940 -1.389) 6.207 15.075 ( -4.473 -5.129 5.331) 8.645 16.068 ( -4.434 5.433 1.880) 7.260 16.082 ( -0.248 4.710 -3.704) 5.997 16.191 ( -3.735 -0.469 -5.536) 6.695 16.423 ( 0.049 3.884 2.145) 4.437 16.595 ( 3.311 1.638 0.340) 3.710 16.826 ( 0.845 -2.683 1.829) 3.355 17.139 ( -2.914 5.321 -4.032) 7.284 17.236 ( 6.464 6.841 -2.154) 9.655 24.714 ( -1.352 0.100 2.175) 2.563 24.767 ( 3.496 -1.159 3.365) 4.989 24.917 ( -3.475 5.229 1.078) 6.370 25.123 ( 0.865 0.124 11.201) 11.235 25.383 ( -1.914 -0.908 0.232) 2.131 25.533 ( -1.195 -5.405 1.172) 5.658 25.662 ( -0.174 3.607 1.672) 3.979 25.879 ( -1.475 -1.476 0.516) 2.149 27.030 ( -0.330 1.703 1.949) 2.609 27.462 ( -0.492 -0.392 2.604) 2.679 27.521 ( -0.478 -10.580 0.024) 10.591 27.969 ( -0.383 -13.787 -7.741) 15.816 29.492 ( 1.159 2.325 1.557) 3.029 29.876 ( 0.040 -11.113 -1.966) 11.286 30.965 ( 1.120 21.869 -4.340) 22.324 31.303 ( 2.581 8.602 -5.198) 10.376 ======================= Grid point 65 (33/104) ======================= q-point: (-0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -10.792 19.043 15.252) 26.679 1.790 ( -10.508 19.706 7.810) 23.659 2.469 ( 5.254 1.337 0.973) 5.508 2.975 ( 11.258 -5.463 2.237) 12.712 3.117 ( 10.546 7.354 6.297) 14.317 3.369 ( 0.309 5.258 -0.020) 5.267 3.494 ( 6.920 -5.256 0.500) 8.704 3.684 ( -1.655 13.889 4.789) 14.784 3.722 ( -0.073 -0.588 6.036) 6.065 3.863 ( -6.124 20.836 14.306) 26.006 3.969 ( 3.227 6.824 1.987) 7.806 4.011 ( -7.093 8.451 4.050) 11.753 4.136 ( -2.580 13.657 0.393) 13.904 4.321 ( -0.264 5.666 2.616) 6.246 4.434 ( -9.724 8.092 0.004) 12.651 4.564 ( -1.057 -1.973 -1.447) 2.665 4.631 ( 1.813 4.268 -2.819) 5.426 4.818 ( 0.457 5.496 -0.592) 5.547 5.044 ( 5.430 -1.761 5.061) 7.629 5.225 ( -6.929 -1.059 -4.777) 8.483 5.349 ( 2.937 -6.900 -7.804) 10.823 5.504 ( 0.912 -13.599 7.217) 15.422 5.770 ( -2.517 -7.324 -2.701) 8.201 6.011 ( 4.107 -1.123 -4.380) 6.108 6.142 ( 2.380 9.154 -14.492) 17.306 6.223 ( 7.426 2.691 -0.031) 7.899 6.465 ( 1.384 -4.019 4.411) 6.126 6.710 ( -5.740 -2.733 -2.214) 6.732 6.758 ( 2.329 -3.321 4.729) 6.230 6.820 ( -4.337 -3.074 3.615) 6.429 7.036 ( -1.846 9.636 4.227) 10.683 7.179 ( -2.640 1.856 2.690) 4.201 7.401 ( 4.222 -8.866 8.034) 12.688 7.479 ( 6.939 1.383 -1.101) 7.161 7.667 ( -0.974 -4.564 4.612) 6.561 7.733 ( 2.294 3.411 -6.787) 7.935 7.958 ( -4.092 5.538 -6.378) 9.386 7.985 ( -12.982 5.075 -5.717) 15.065 8.234 ( 2.860 8.845 3.550) 9.951 8.359 ( 4.890 -9.953 -6.319) 12.764 8.420 ( -4.914 1.069 -4.322) 6.631 8.645 ( 2.960 1.078 1.442) 3.464 8.920 ( 2.899 2.686 -3.396) 5.211 8.992 ( -1.689 -3.535 -4.038) 5.626 9.015 ( 1.659 -6.772 -4.540) 8.320 9.392 ( -0.639 3.702 -0.086) 3.758 9.496 ( -2.005 -8.067 12.461) 14.979 9.564 ( 2.952 1.841 -3.589) 4.998 9.934 ( -2.081 -1.063 2.808) 3.653 10.280 ( 0.382 -8.710 8.270) 12.017 10.483 ( -0.890 6.745 3.257) 7.543 10.823 ( 1.521 -0.762 0.821) 1.889 11.114 ( -4.847 1.113 -0.936) 5.061 11.249 ( -3.377 1.561 -4.550) 5.878 11.478 ( -9.822 0.117 -11.114) 14.833 11.611 ( 6.927 -0.543 2.749) 7.473 11.880 ( 3.979 -1.296 0.212) 4.190 12.159 ( 9.215 -13.562 -5.721) 17.366 12.314 ( 4.848 1.745 1.520) 5.372 12.721 ( 7.679 7.196 5.441) 11.847 12.945 ( 6.843 -9.530 -1.214) 11.795 13.018 ( 2.176 2.726 -2.295) 4.175 13.314 ( 5.279 -5.991 0.156) 7.987 13.480 ( -1.266 -9.169 -3.845) 10.023 13.664 ( 2.178 -0.775 5.182) 5.674 13.881 ( -2.542 -10.831 4.869) 12.144 14.036 ( -4.809 6.122 2.463) 8.165 14.282 ( -1.335 1.893 0.283) 2.334 14.393 ( -9.447 0.907 -9.742) 13.601 14.731 ( 2.609 -1.068 0.079) 2.820 14.955 ( -0.032 -5.278 2.849) 5.998 15.067 ( 0.905 -1.601 0.070) 1.840 15.876 ( -10.683 -0.377 -2.580) 10.997 16.061 ( -3.844 -4.127 -4.868) 7.450 16.176 ( 3.059 10.834 0.259) 11.260 16.463 ( 4.238 6.189 0.250) 7.505 16.658 ( 2.752 2.804 0.175) 3.933 16.830 ( -1.302 -1.261 0.756) 1.964 17.035 ( -6.193 4.561 -0.848) 7.738 17.286 ( -0.173 2.388 -3.032) 3.864 24.668 ( -4.321 1.748 1.972) 5.061 24.830 ( 0.038 -0.992 4.077) 4.196 24.888 ( 0.194 1.968 2.989) 3.584 25.154 ( -4.651 -5.665 7.926) 10.796 25.354 ( -0.688 -0.250 1.864) 2.003 25.531 ( 0.473 -3.856 1.684) 4.234 25.670 ( -0.228 3.155 2.326) 3.927 25.847 ( -1.888 -1.121 0.110) 2.198 27.048 ( 0.730 2.282 2.188) 3.245 27.457 ( -1.570 -2.917 2.496) 4.148 27.485 ( -2.691 -3.132 -1.209) 4.303 27.922 ( 0.066 -9.860 -7.034) 12.112 29.555 ( 4.252 0.284 1.839) 4.641 29.869 ( 0.454 -10.342 -2.365) 10.618 30.997 ( 4.950 20.117 -4.632) 21.228 31.329 ( 3.273 7.925 -6.247) 10.609 ======================= Grid point 66 (34/104) ======================= q-point: (-0.17 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 7.700 32.608 14.922) 36.678 1.652 ( -8.674 27.835 14.901) 32.743 2.600 ( 5.751 3.478 3.220) 7.452 3.129 ( 6.789 -10.055 0.993) 12.173 3.179 ( -17.825 30.941 1.173) 35.728 3.419 ( 3.513 9.051 6.376) 11.615 3.564 ( 2.101 8.983 9.761) 13.431 3.657 ( 4.681 1.522 2.207) 5.394 3.770 ( 3.228 6.546 7.607) 10.542 3.850 ( -4.306 4.778 -7.562) 9.928 3.905 ( -2.207 2.304 1.147) 3.390 3.999 ( -0.476 16.016 7.068) 17.513 4.170 ( 4.185 2.535 4.459) 6.620 4.291 ( -2.786 -0.174 1.522) 3.180 4.321 ( -4.569 5.671 7.041) 10.130 4.541 ( -1.078 8.074 -1.822) 8.347 4.731 ( 2.425 0.769 0.414) 2.577 4.791 ( -0.223 5.291 -4.722) 7.095 5.118 ( 0.756 -3.670 -9.092) 9.834 5.223 ( 6.516 -8.245 10.636) 14.952 5.336 ( -1.485 -0.721 -3.078) 3.493 5.575 ( 4.452 -14.309 4.088) 15.533 5.672 ( -3.579 -10.644 -2.193) 11.442 6.038 ( 2.465 3.945 -7.025) 8.426 6.119 ( 4.747 5.470 -10.637) 12.869 6.378 ( 2.568 -2.481 1.456) 3.856 6.476 ( -3.239 -7.486 3.864) 9.026 6.615 ( -1.222 -8.777 1.776) 9.038 6.780 ( -5.466 0.880 2.564) 6.101 6.868 ( 7.633 -2.864 -7.568) 11.124 7.038 ( 1.405 7.473 6.184) 9.800 7.133 ( -0.820 -5.161 3.746) 6.430 7.434 ( -7.928 0.446 3.213) 8.566 7.534 ( 2.050 -0.102 -1.151) 2.353 7.635 ( -5.719 -1.093 2.894) 6.502 7.724 ( 1.799 -2.142 -1.694) 3.270 7.851 ( 5.772 11.316 -5.728) 13.934 7.903 ( -2.416 2.005 -8.376) 8.945 8.220 ( -4.746 -1.255 -5.564) 7.420 8.287 ( 0.785 5.433 3.410) 6.462 8.509 ( 5.885 -3.894 -0.699) 7.092 8.659 ( -1.392 -0.135 2.430) 2.804 8.890 ( -4.285 1.638 -5.713) 7.327 8.963 ( 3.042 2.653 -3.057) 5.064 9.045 ( 1.049 -5.827 -0.588) 5.950 9.373 ( -0.553 4.348 -0.688) 4.436 9.494 ( -2.854 -5.390 7.469) 9.643 9.606 ( 1.189 3.666 -0.942) 3.968 9.934 ( -0.066 -2.975 3.945) 4.941 10.333 ( 1.344 -6.860 4.879) 8.524 10.490 ( -1.179 2.547 5.579) 6.245 10.864 ( 2.036 -1.997 1.620) 3.280 11.039 ( -2.237 1.858 -2.272) 3.690 11.141 ( -4.399 -0.130 -2.702) 5.165 11.249 ( -7.749 1.722 -7.580) 10.976 11.777 ( 7.436 1.886 0.975) 7.733 11.956 ( 4.784 0.195 -3.617) 6.001 12.239 ( 1.326 -7.259 -0.485) 7.395 12.461 ( 9.457 -3.559 -3.702) 10.761 12.819 ( 0.158 7.719 -1.700) 7.906 12.993 ( 0.429 -10.711 -5.765) 12.172 13.139 ( 11.568 6.771 -4.155) 14.033 13.392 ( 1.943 -9.010 -1.342) 9.314 13.543 ( 8.662 -9.544 6.544) 14.455 13.726 ( 1.225 1.645 2.826) 3.492 13.818 ( -7.171 -15.205 1.784) 16.906 13.924 ( -7.255 2.986 -2.181) 8.143 14.184 ( -5.586 7.016 -3.929) 9.791 14.286 ( 0.721 -2.255 4.941) 5.479 14.820 ( 5.184 -6.327 1.548) 8.325 14.935 ( -4.618 1.419 1.588) 5.085 15.079 ( 2.185 2.255 1.540) 3.497 15.669 ( -9.775 1.061 -0.536) 9.847 16.000 ( -0.094 -6.947 -0.469) 6.963 16.237 ( 3.404 10.403 0.435) 10.954 16.560 ( 4.494 8.420 0.252) 9.548 16.690 ( 1.079 1.792 -1.413) 2.524 16.785 ( -2.984 0.694 -2.292) 3.827 16.941 ( -2.331 1.987 0.912) 3.196 17.194 ( -7.531 -2.215 -3.444) 8.573 24.602 ( -2.816 2.786 0.605) 4.008 24.810 ( -4.325 -1.578 3.649) 5.875 24.927 ( -0.092 -1.672 5.683) 5.925 25.046 ( -6.626 -3.479 1.993) 7.745 25.386 ( 0.507 -1.362 7.165) 7.311 25.559 ( 0.989 -4.416 1.371) 4.728 25.678 ( -0.465 2.927 3.094) 4.285 25.823 ( -0.744 -1.008 1.414) 1.889 27.067 ( 0.095 2.031 2.394) 3.141 27.427 ( -2.160 -4.257 0.943) 4.866 27.439 ( -1.397 4.469 -0.587) 4.719 27.909 ( 1.660 -6.800 -4.100) 8.112 29.641 ( 3.418 -2.030 0.643) 4.027 29.868 ( 0.807 -9.044 -2.244) 9.353 31.088 ( 6.802 15.811 -4.886) 17.892 31.346 ( 2.835 7.820 -10.390) 13.309 ======================= Grid point 67 (35/104) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -6.511 27.052 13.747) 31.036 2.395 ( 3.722 28.168 4.791) 28.814 2.653 ( -1.104 -11.796 13.395) 17.883 2.913 ( 2.778 -20.408 2.388) 20.734 3.273 ( -3.269 5.819 -13.455) 15.020 3.399 ( -1.135 -7.455 -6.779) 10.140 3.647 ( 3.949 0.992 -6.339) 7.534 3.679 ( -1.883 -0.975 -4.636) 5.098 3.835 ( -9.575 6.989 -5.155) 12.927 3.986 ( -8.304 -4.615 -5.685) 11.071 4.120 ( -4.321 17.222 10.642) 20.701 4.179 ( -5.052 4.735 9.457) 11.721 4.245 ( 1.596 -1.924 10.175) 10.477 4.319 ( -7.175 -0.247 2.673) 7.660 4.463 ( 4.434 8.612 10.585) 14.348 4.639 ( -0.748 0.794 -0.014) 1.091 4.821 ( -3.068 2.513 0.734) 4.033 4.955 ( -2.397 -7.946 2.459) 8.657 4.969 ( 3.972 20.087 5.656) 21.243 5.152 ( 3.045 7.578 2.784) 8.628 5.368 ( 8.492 -17.523 1.979) 19.573 5.471 ( -0.449 -0.777 -3.590) 3.700 5.757 ( 8.687 1.165 4.290) 9.758 5.890 ( -0.080 -10.235 6.293) 12.015 6.206 ( 6.792 0.230 1.558) 6.972 6.291 ( 1.045 -3.235 -1.775) 3.835 6.306 ( 0.987 -1.634 -2.458) 3.112 6.387 ( -3.874 -7.990 -1.352) 8.982 6.726 ( -3.373 11.311 0.448) 11.812 7.005 ( -1.386 -11.016 1.814) 11.250 7.068 ( 4.702 6.490 -3.413) 8.711 7.203 ( 1.043 -5.598 2.528) 6.231 7.365 ( -5.545 9.169 4.332) 11.558 7.511 ( -5.529 -3.542 0.612) 6.594 7.602 ( 2.590 1.365 -5.904) 6.590 7.646 ( -1.917 -2.564 -3.701) 4.893 7.927 ( 2.552 10.356 -3.134) 11.116 8.132 ( 3.481 -7.236 2.196) 8.324 8.171 ( 5.634 7.186 -3.773) 9.880 8.311 ( 1.861 -5.312 -0.537) 5.654 8.542 ( 1.121 4.396 -3.657) 5.827 8.625 ( 0.519 -3.694 -4.173) 5.597 8.824 ( -0.066 0.080 -0.768) 0.775 8.902 ( 0.764 -3.153 -1.891) 3.755 9.134 ( -1.498 5.518 1.629) 5.945 9.265 ( -2.639 -7.052 2.420) 7.909 9.572 ( -1.062 5.671 -4.093) 7.074 9.639 ( -2.329 0.227 -5.777) 6.233 9.957 ( -0.278 4.146 8.057) 9.066 10.129 ( -0.883 -11.377 7.344) 13.571 10.611 ( -2.081 8.046 1.447) 8.436 10.771 ( -2.111 -6.598 0.070) 6.928 11.023 ( 1.856 -0.089 -3.716) 4.154 11.034 ( 1.306 -1.370 -3.808) 4.252 11.465 ( 4.608 15.864 -0.695) 16.534 11.790 ( 2.730 -12.315 1.840) 12.748 12.028 ( 0.067 3.771 -4.111) 5.579 12.120 ( 0.466 -4.266 -2.024) 4.745 12.500 ( -3.463 3.196 -6.179) 7.771 12.663 ( -3.665 -11.561 -6.147) 13.597 12.956 ( -4.679 9.524 -5.807) 12.096 13.141 ( -7.626 -7.991 -8.946) 14.214 13.287 ( 2.155 0.286 -0.758) 2.302 13.404 ( 0.759 -10.453 1.252) 10.555 13.668 ( 0.313 4.923 3.095) 5.823 13.764 ( -0.010 -2.772 2.328) 3.620 13.997 ( 3.097 7.292 4.235) 8.984 14.146 ( 1.717 -6.449 4.602) 8.106 14.457 ( 4.905 8.887 3.526) 10.746 14.652 ( 1.589 -9.364 -0.114) 9.499 14.963 ( -4.499 8.144 -0.599) 9.324 15.129 ( -0.703 -7.418 4.318) 8.612 15.742 ( 5.847 7.590 5.295) 10.947 15.897 ( 5.509 -7.506 5.705) 10.920 16.519 ( 3.642 8.743 -2.864) 9.895 16.623 ( -5.808 0.693 -0.925) 5.922 16.648 ( -4.444 2.151 -1.418) 5.137 16.834 ( -4.586 -9.319 -0.785) 10.416 16.918 ( 3.013 4.931 -2.294) 6.217 16.990 ( 2.960 -1.323 -2.851) 4.317 24.631 ( -0.666 2.010 0.740) 2.243 24.671 ( -2.817 -1.865 1.841) 3.848 24.978 ( 0.799 1.820 5.034) 5.412 25.005 ( 0.528 -0.677 3.628) 3.729 25.414 ( -0.750 1.622 3.852) 4.246 25.477 ( -0.690 -3.996 1.970) 4.508 25.744 ( 0.017 3.013 0.880) 3.139 25.799 ( 0.582 -2.267 1.349) 2.701 27.135 ( -1.376 4.353 1.165) 4.712 27.255 ( -1.851 -6.876 0.171) 7.123 27.589 ( 0.099 8.405 -1.470) 8.533 27.769 ( 0.801 -8.582 -1.760) 8.797 29.653 ( -0.523 1.679 0.407) 1.805 29.728 ( 0.218 -5.451 0.294) 5.463 31.357 ( 1.793 6.633 -5.122) 8.571 31.422 ( 1.849 0.623 -8.136) 8.367 ======================= Grid point 68 (36/104) ======================= q-point: ( 0.17 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -17.703 27.712 4.932) 33.252 2.445 ( -12.461 -1.445 10.623) 16.438 2.619 ( 1.081 5.918 7.310) 9.468 2.935 ( 2.203 -9.742 9.661) 13.896 3.218 ( -3.055 1.634 -8.356) 9.046 3.356 ( -4.461 -9.679 -6.538) 12.503 3.520 ( -11.027 5.311 -4.049) 12.891 3.636 ( -7.961 -0.762 -4.926) 9.393 3.674 ( -2.728 3.449 -0.684) 4.451 3.841 ( 4.663 -6.030 -6.210) 9.832 4.008 ( -3.688 9.825 5.227) 11.724 4.125 ( -8.759 -4.712 -3.277) 10.472 4.249 ( -1.118 5.424 8.541) 10.180 4.375 ( 4.629 -2.732 4.736) 7.164 4.524 ( -2.258 6.669 -2.690) 7.537 4.665 ( 1.749 5.282 0.981) 5.649 4.800 ( -1.576 1.101 5.920) 6.225 4.964 ( 3.402 -6.526 1.595) 7.531 5.081 ( 3.275 19.803 6.664) 21.149 5.216 ( 2.563 12.021 6.742) 14.019 5.408 ( -2.427 -4.228 -0.490) 4.899 5.542 ( 7.518 -13.552 4.893) 16.251 5.855 ( -3.935 3.513 10.431) 11.689 5.940 ( 2.896 -5.929 2.418) 7.027 6.220 ( -4.757 2.491 -2.401) 5.882 6.338 ( 3.656 -0.160 2.196) 4.267 6.430 ( 8.847 -6.776 2.775) 11.484 6.476 ( 12.699 -2.218 2.784) 13.188 6.730 ( 1.659 5.264 -1.603) 5.748 6.856 ( -10.871 -2.064 0.028) 11.065 7.092 ( 0.056 3.845 2.281) 4.471 7.175 ( -4.669 -2.762 -0.004) 5.425 7.354 ( 0.139 2.015 -2.279) 3.045 7.404 ( -0.189 -1.684 -1.656) 2.369 7.622 ( 2.741 1.802 -0.736) 3.362 7.659 ( 0.398 -1.080 -4.988) 5.119 7.933 ( 1.284 13.708 -7.189) 15.531 8.206 ( 2.169 -9.811 0.183) 10.050 8.257 ( 4.597 1.469 -0.396) 4.843 8.329 ( 1.456 -3.832 -0.593) 4.142 8.508 ( -2.309 7.939 -5.238) 9.788 8.638 ( 1.838 -4.814 -4.189) 6.641 8.844 ( 2.530 1.357 -1.327) 3.163 8.952 ( 3.755 -3.326 -0.492) 5.041 9.091 ( -3.448 1.912 4.503) 5.985 9.189 ( -6.162 -8.495 2.385) 10.762 9.521 ( -1.501 3.052 -5.349) 6.339 9.544 ( -2.968 1.019 -6.891) 7.572 10.000 ( -0.299 4.465 9.089) 10.131 10.151 ( -1.764 -9.577 8.320) 12.808 10.590 ( -0.041 7.724 0.280) 7.729 10.726 ( -1.424 -4.959 -1.202) 5.297 11.102 ( 8.097 -0.146 -2.458) 8.463 11.114 ( 8.773 -0.967 -3.538) 9.509 11.526 ( 1.377 11.533 -3.433) 12.111 11.729 ( -8.482 -5.190 -2.046) 10.152 11.969 ( -4.887 2.717 -0.198) 5.595 12.129 ( 0.447 -9.522 3.018) 9.999 12.355 ( -5.948 4.896 -7.242) 10.573 12.560 ( -3.671 -13.314 -8.035) 15.978 12.808 ( -6.812 5.967 -4.929) 10.310 12.927 ( -8.606 -5.237 -5.991) 11.721 13.323 ( 2.590 1.578 -3.159) 4.379 13.411 ( 0.604 -6.643 -0.199) 6.673 13.654 ( -2.678 2.885 4.495) 5.975 13.733 ( -4.043 -3.585 3.502) 6.439 14.131 ( 6.424 6.892 4.194) 10.314 14.252 ( 5.530 -4.332 4.517) 8.352 14.577 ( 4.738 3.670 1.450) 6.166 14.665 ( 0.568 -4.081 -2.570) 4.856 14.885 ( -3.281 9.122 1.807) 9.861 15.092 ( -4.914 -9.753 3.488) 11.464 15.954 ( 10.910 6.696 7.938) 15.062 16.081 ( 9.052 -5.642 7.832) 13.232 16.452 ( -8.507 5.463 -2.396) 10.390 16.525 ( -8.010 -0.463 -3.405) 8.716 16.563 ( 2.254 3.972 -2.939) 5.431 16.729 ( -2.916 -8.035 -1.947) 8.766 17.039 ( 9.051 5.521 -1.713) 10.739 17.114 ( 9.433 -1.699 -4.093) 10.422 24.643 ( 1.345 1.234 0.915) 2.041 24.666 ( 1.092 -0.857 0.983) 1.701 25.029 ( 1.363 1.837 6.323) 6.724 25.041 ( 0.822 0.785 3.964) 4.124 25.412 ( -1.541 0.734 3.412) 3.815 25.464 ( -1.755 -3.790 1.726) 4.519 25.750 ( 0.158 3.704 0.738) 3.780 25.822 ( 0.720 -3.050 1.667) 3.550 27.111 ( -1.609 3.509 0.734) 3.930 27.227 ( -0.801 -7.534 -0.248) 7.581 27.578 ( -0.395 7.769 -1.002) 7.843 27.762 ( -0.305 -9.703 -2.135) 9.940 29.625 ( -2.423 3.199 0.324) 4.027 29.722 ( -0.971 -6.221 0.374) 6.307 31.344 ( 0.003 7.443 -5.305) 9.140 31.411 ( 1.309 1.175 -7.167) 7.380 ======================= Grid point 69 (37/104) ======================= q-point: ( 0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -4.780 18.071 6.878) 19.917 2.147 ( -16.845 -12.762 4.817) 21.676 2.731 ( -1.015 14.035 1.123) 14.117 2.971 ( -11.625 -5.226 -0.129) 12.747 3.042 ( -1.954 7.371 6.979) 10.337 3.246 ( -2.655 -11.120 3.539) 11.968 3.337 ( -4.938 0.700 3.477) 6.080 3.426 ( -8.658 -5.598 -0.026) 10.310 3.765 ( 7.427 9.740 0.483) 12.259 3.899 ( -3.381 2.817 -4.278) 6.137 3.988 ( 4.441 -6.876 -4.860) 9.520 4.022 ( 0.950 -4.682 1.561) 5.026 4.232 ( -5.541 6.370 8.936) 12.294 4.476 ( 2.990 -5.917 3.325) 7.417 4.514 ( 4.759 3.624 -7.195) 9.357 4.647 ( 2.435 -1.152 -9.539) 9.912 4.804 ( -2.318 14.760 7.731) 16.823 5.061 ( 4.994 -4.821 1.967) 7.215 5.136 ( -1.706 13.790 8.217) 16.143 5.281 ( -1.100 3.928 8.487) 9.416 5.424 ( 1.437 2.319 1.912) 3.331 5.645 ( 1.251 -6.896 0.259) 7.013 5.781 ( -8.814 9.858 10.284) 16.751 5.993 ( 2.439 -2.608 -0.927) 3.689 6.139 ( -3.049 4.104 -3.165) 6.013 6.376 ( -3.333 -11.059 -3.850) 12.175 6.482 ( 0.345 4.961 3.519) 6.092 6.618 ( -1.631 -9.377 4.537) 10.544 6.789 ( 4.137 7.450 5.009) 9.884 6.862 ( 4.533 -2.428 8.572) 9.996 7.045 ( -0.926 5.001 -2.770) 5.792 7.154 ( 0.888 -2.720 -1.195) 3.101 7.309 ( -0.065 5.420 -5.986) 8.075 7.417 ( 2.582 -4.966 -8.736) 10.375 7.595 ( -1.643 7.455 -5.035) 9.145 7.728 ( 5.606 -3.431 4.825) 8.153 7.913 ( 0.831 10.302 -6.041) 11.972 8.209 ( -1.501 -11.223 -1.564) 11.431 8.307 ( 1.224 1.220 -1.480) 2.275 8.399 ( 3.565 9.872 0.811) 10.528 8.454 ( 0.725 -2.677 -1.900) 3.362 8.640 ( 2.679 -9.442 -3.151) 10.308 8.795 ( -5.827 4.795 -7.406) 10.574 8.931 ( -2.317 -3.570 -7.572) 8.686 9.106 ( -4.776 -4.469 3.312) 7.331 9.140 ( 2.595 -4.927 9.399) 10.925 9.475 ( -0.001 2.766 -2.268) 3.577 9.503 ( 1.041 0.022 -3.412) 3.567 10.025 ( -2.180 4.006 8.130) 9.322 10.139 ( -4.176 -6.923 8.996) 12.095 10.610 ( 1.546 6.828 0.028) 7.001 10.721 ( 1.405 -3.751 -1.149) 4.167 11.258 ( 8.364 4.234 -0.090) 9.375 11.309 ( 12.423 -0.598 -2.792) 12.747 11.454 ( -4.089 4.581 -6.120) 8.669 11.581 ( -3.515 -5.872 -4.914) 8.425 11.882 ( -4.227 3.923 0.449) 5.784 12.040 ( -10.253 -8.171 -4.114) 13.742 12.309 ( 1.854 1.768 0.199) 2.570 12.441 ( -3.477 -9.419 -4.738) 11.102 12.704 ( -2.759 3.091 1.058) 4.276 12.822 ( -1.102 -6.706 1.506) 6.961 13.331 ( 0.611 3.985 -5.958) 7.194 13.422 ( 0.738 -4.638 -2.491) 5.316 13.638 ( -1.822 0.405 3.555) 4.016 13.689 ( -2.520 -4.887 6.324) 8.380 14.244 ( 3.302 7.452 3.715) 8.957 14.355 ( 2.703 -1.576 2.890) 4.259 14.613 ( 0.823 1.098 -4.847) 5.038 14.651 ( 0.273 -1.280 -5.342) 5.500 14.872 ( -0.431 4.408 4.212) 6.112 15.008 ( -5.383 -7.858 3.444) 10.129 16.163 ( 6.921 5.600 4.739) 10.086 16.210 ( -1.472 0.504 1.512) 2.169 16.320 ( -6.663 1.635 -3.221) 7.580 16.381 ( -0.138 -2.267 -0.149) 2.276 16.591 ( 1.810 3.645 -0.167) 4.073 16.705 ( 0.657 -6.115 0.411) 6.164 17.193 ( 7.713 4.421 -2.851) 9.337 17.243 ( 6.721 0.074 -5.619) 8.760 24.686 ( 2.248 0.597 1.812) 2.949 24.700 ( 1.508 -0.694 1.395) 2.169 25.062 ( -0.879 3.321 2.963) 4.537 25.087 ( 1.000 1.022 6.197) 6.360 25.396 ( -1.765 -0.100 2.443) 3.015 25.436 ( -1.886 -3.996 1.688) 4.730 25.754 ( -0.115 4.296 0.389) 4.316 25.836 ( -0.058 -3.407 0.982) 3.546 27.091 ( -0.813 4.202 1.340) 4.485 27.230 ( 0.710 -9.236 1.404) 9.369 27.568 ( -0.213 6.418 -0.505) 6.442 27.740 ( -0.519 -10.196 -2.856) 10.601 29.582 ( -2.045 4.652 0.554) 5.112 29.702 ( -1.164 -7.013 0.198) 7.112 31.314 ( 0.092 9.171 -5.540) 10.714 31.399 ( 1.196 0.793 -5.900) 6.072 ======================= Grid point 70 (38/104) ======================= q-point: (-0.50 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -0.134 8.459 9.101) 12.426 1.952 ( -3.075 -0.794 6.801) 7.506 2.637 ( -6.880 7.220 -3.185) 10.470 2.754 ( -3.895 -2.827 -1.793) 5.136 3.098 ( -1.254 3.445 7.392) 8.252 3.176 ( 0.666 -7.543 1.209) 7.668 3.395 ( 3.468 -1.571 4.718) 6.063 3.481 ( 8.922 -4.841 15.624) 18.631 3.760 ( -1.049 9.534 -3.330) 10.153 3.956 ( 2.970 -4.201 3.292) 6.108 4.067 ( 5.601 11.809 6.458) 14.579 4.085 ( 2.406 -1.720 -0.462) 2.993 4.175 ( -1.921 -4.309 1.690) 5.012 4.462 ( -1.285 -14.909 2.976) 15.257 4.634 ( 8.946 6.726 -7.151) 13.282 4.672 ( 2.625 3.257 -5.809) 7.158 4.841 ( 2.811 18.174 4.012) 18.822 5.060 ( -10.236 5.208 5.786) 12.860 5.151 ( 0.728 0.132 2.798) 2.895 5.270 ( -6.055 -6.079 10.592) 13.631 5.354 ( -7.356 9.889 -5.239) 13.393 5.603 ( -4.324 0.469 -1.091) 4.484 5.673 ( -6.822 13.073 4.582) 15.441 6.028 ( 3.221 4.817 -5.822) 8.214 6.104 ( 2.496 -5.280 -0.246) 5.845 6.242 ( -7.247 -14.812 -5.192) 17.288 6.476 ( -3.155 6.089 -2.841) 7.423 6.582 ( -3.085 -5.999 3.186) 7.460 6.843 ( -5.654 -1.094 -1.051) 5.854 6.860 ( -0.013 -0.325 9.082) 9.087 7.095 ( 2.021 2.282 2.328) 3.835 7.202 ( 4.005 -2.316 1.415) 4.838 7.288 ( 1.243 7.190 -6.218) 9.587 7.426 ( 2.080 -3.578 -4.198) 5.895 7.611 ( 5.052 9.768 -3.295) 11.480 7.809 ( 0.522 1.605 2.006) 2.622 7.963 ( 7.814 -4.359 -2.938) 9.418 8.126 ( -5.950 -7.273 0.507) 9.410 8.258 ( -4.832 4.808 -6.230) 9.235 8.418 ( -2.366 -1.182 -4.061) 4.846 8.504 ( 4.503 6.302 0.728) 7.780 8.652 ( -0.841 1.305 -6.699) 6.876 8.751 ( 5.923 -4.897 0.832) 7.730 8.871 ( 0.823 -7.682 -6.118) 9.855 9.037 ( -2.797 4.430 1.533) 5.459 9.205 ( 0.107 -10.123 6.162) 11.852 9.494 ( 1.588 3.219 1.794) 4.013 9.531 ( 2.867 -0.352 -0.830) 3.005 10.008 ( -3.352 3.561 5.895) 7.660 10.107 ( -3.661 -5.929 8.517) 11.004 10.632 ( 0.650 6.743 0.502) 6.793 10.747 ( 1.324 -4.012 -0.312) 4.236 11.294 ( -4.713 6.097 -1.341) 7.823 11.411 ( 0.770 4.756 -5.260) 7.133 11.455 ( 3.221 -0.895 2.188) 3.995 11.619 ( 8.298 -6.605 -6.775) 12.585 11.774 ( -4.697 0.643 -6.281) 7.870 11.849 ( -3.243 -6.641 -5.305) 9.097 12.325 ( 2.291 4.139 1.612) 4.997 12.499 ( 7.186 -11.542 4.879) 14.445 12.726 ( 3.483 5.104 5.250) 8.109 12.868 ( 3.077 -7.473 6.005) 10.068 13.289 ( -0.976 3.258 -7.752) 8.465 13.389 ( -2.027 -5.632 -6.086) 8.536 13.630 ( -0.883 1.562 5.118) 5.423 13.705 ( -0.233 -5.723 5.991) 8.289 14.277 ( -1.872 8.036 2.509) 8.625 14.366 ( -2.125 0.696 -0.357) 2.264 14.574 ( -1.954 1.172 -7.495) 7.834 14.631 ( 0.832 -4.337 -5.379) 6.959 14.893 ( 0.724 1.819 2.895) 3.495 14.967 ( -0.609 -4.802 4.791) 6.810 16.090 ( -7.581 1.642 -5.105) 9.286 16.135 ( -7.535 -2.293 -5.071) 9.367 16.312 ( 4.613 8.858 2.063) 10.198 16.431 ( 1.978 -2.545 2.159) 3.879 16.648 ( 3.248 3.426 3.231) 5.721 16.743 ( 1.754 -5.060 3.095) 6.185 17.243 ( -0.477 4.755 -4.844) 6.804 17.306 ( 2.635 -0.445 -4.717) 5.421 24.721 ( -0.175 0.603 2.678) 2.751 24.740 ( 1.520 -1.201 3.259) 3.791 25.033 ( -3.381 5.280 1.237) 6.390 25.113 ( -1.786 -1.925 4.423) 5.144 25.374 ( -1.376 0.648 1.498) 2.135 25.426 ( -0.251 -4.156 2.267) 4.740 25.750 ( -0.375 4.203 0.178) 4.223 25.829 ( -0.909 -3.186 0.123) 3.316 27.101 ( 0.659 5.428 2.724) 6.109 27.259 ( 0.776 -9.588 3.277) 10.162 27.566 ( 0.299 5.465 -0.360) 5.485 27.720 ( 0.436 -9.570 -3.517) 10.205 29.566 ( 0.066 4.695 0.845) 4.771 29.688 ( -0.235 -7.152 -0.062) 7.156 31.297 ( 1.335 10.010 -5.643) 11.568 31.396 ( 1.858 0.145 -5.536) 5.841 ======================= Grid point 71 (39/104) ======================= q-point: (-0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 5.531 19.564 12.951) 24.106 2.109 ( 8.617 4.919 7.354) 12.351 2.479 ( -5.059 4.242 2.103) 6.929 2.735 ( -1.826 -15.256 -0.359) 15.369 3.235 ( 13.731 2.315 4.071) 14.508 3.313 ( 8.964 -6.501 1.558) 11.182 3.501 ( 6.771 9.910 2.955) 12.361 3.751 ( 10.170 -6.609 12.685) 17.550 3.792 ( 3.460 6.588 2.201) 7.760 3.962 ( -2.550 2.255 2.667) 4.324 4.055 ( -7.569 0.546 -0.545) 7.608 4.071 ( -0.438 -5.284 2.582) 5.897 4.333 ( 11.149 3.511 4.376) 12.481 4.526 ( 2.186 -4.389 6.143) 7.860 4.666 ( -9.553 8.048 5.076) 13.483 4.722 ( 1.859 -0.360 -0.276) 1.913 4.782 ( -6.217 17.998 3.100) 19.292 4.923 ( -1.176 11.334 -3.100) 11.809 5.049 ( -9.487 13.612 -3.205) 16.898 5.168 ( -6.694 -2.229 6.498) 9.592 5.294 ( 3.261 -5.658 -4.706) 8.050 5.470 ( -10.582 -18.716 -7.343) 22.720 5.573 ( -1.813 18.372 0.537) 18.469 6.033 ( -3.696 -9.670 -2.286) 10.602 6.142 ( 2.526 -6.764 -0.654) 7.250 6.227 ( 8.475 -2.992 -0.015) 8.988 6.350 ( -6.122 6.944 -6.310) 11.203 6.535 ( -4.126 -11.272 -2.080) 12.182 6.749 ( -0.398 6.368 0.441) 6.396 6.937 ( 3.773 -5.253 7.540) 9.934 7.084 ( -5.395 4.335 1.367) 7.054 7.251 ( -2.818 5.537 -5.404) 8.234 7.262 ( 0.275 -2.001 5.185) 5.564 7.458 ( 2.716 -7.822 -0.429) 8.292 7.676 ( 1.769 9.010 0.783) 9.216 7.823 ( 1.209 0.080 -0.136) 1.220 8.042 ( -2.670 3.290 -1.261) 4.421 8.094 ( -4.564 5.146 -10.145) 12.257 8.117 ( 7.448 -5.695 -1.562) 9.505 8.276 ( -6.769 -8.646 -9.053) 14.232 8.573 ( 1.990 11.147 -3.583) 11.877 8.674 ( 1.681 2.619 1.132) 3.312 8.843 ( 2.216 -5.981 1.049) 6.464 8.854 ( 1.527 -8.071 -4.893) 9.561 9.059 ( 2.905 6.722 3.023) 7.922 9.231 ( -0.176 -9.994 5.511) 11.414 9.542 ( 2.471 4.614 1.732) 5.513 9.598 ( 4.541 -0.343 -0.472) 4.579 9.968 ( -3.877 4.542 5.083) 7.842 10.104 ( -1.478 -7.820 7.339) 10.826 10.638 ( -0.593 7.263 1.401) 7.420 10.765 ( 0.658 -4.631 0.632) 4.720 11.179 ( -5.874 4.865 -2.849) 8.142 11.280 ( -8.779 -2.379 -2.914) 9.551 11.494 ( -3.847 4.569 -10.043) 11.685 11.600 ( 5.158 -2.308 -1.943) 5.975 11.850 ( 6.596 -0.947 0.704) 6.701 11.913 ( 11.116 -8.140 -3.546) 14.226 12.421 ( 5.081 8.549 3.801) 10.647 12.663 ( 6.507 -13.812 3.446) 15.653 12.881 ( 8.990 6.935 6.309) 12.989 12.998 ( 7.927 -4.261 6.366) 11.023 13.231 ( 0.193 -0.757 -8.322) 8.359 13.306 ( -2.762 -6.626 -5.538) 9.066 13.654 ( -0.247 0.922 5.948) 6.024 13.721 ( -0.853 -4.734 3.627) 6.024 14.196 ( -6.984 7.393 -1.207) 10.241 14.291 ( -5.050 -1.562 -1.418) 5.473 14.473 ( -3.726 5.607 -7.418) 10.017 14.620 ( 0.606 -7.881 -3.681) 8.719 14.947 ( 2.746 2.997 5.088) 6.512 15.018 ( 2.723 -3.147 3.451) 5.406 15.901 ( -9.343 2.419 -4.579) 10.682 15.970 ( -7.153 -4.061 -5.024) 9.638 16.391 ( 3.360 8.474 0.731) 9.145 16.499 ( 4.902 -1.865 0.877) 5.317 16.714 ( 1.197 2.742 3.922) 4.933 16.786 ( 1.095 -3.340 2.853) 4.527 17.148 ( -6.568 6.420 -4.224) 10.109 17.267 ( -4.380 -3.967 -4.617) 7.499 24.711 ( -2.698 2.378 3.201) 4.815 24.770 ( -1.039 -3.258 4.692) 5.806 24.972 ( -2.942 4.576 0.674) 5.481 25.061 ( -4.613 -3.981 1.212) 6.213 25.375 ( 0.242 2.281 2.805) 3.623 25.444 ( 0.690 -4.028 2.345) 4.712 25.744 ( -0.385 3.508 0.399) 3.552 25.809 ( -1.118 -2.525 -0.172) 2.767 27.132 ( 0.574 5.838 3.163) 6.665 27.283 ( -0.304 -8.271 3.596) 9.024 27.575 ( 0.851 5.976 -0.736) 6.081 27.725 ( 1.927 -8.482 -3.105) 9.235 29.592 ( 1.997 3.322 0.978) 3.997 29.694 ( 0.876 -6.509 -0.181) 6.571 31.306 ( 2.817 9.577 -5.755) 11.523 31.408 ( 2.587 -0.407 -6.070) 6.611 ======================= Grid point 72 (40/104) ======================= q-point: (-0.17 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 9.955 24.773 16.649) 31.464 2.213 ( 2.895 25.504 3.984) 25.975 2.556 ( 5.225 -8.477 10.195) 14.251 2.756 ( 6.996 -22.277 -0.132) 23.350 3.409 ( 3.660 -0.280 -2.840) 4.641 3.457 ( 0.323 -4.901 -3.495) 6.029 3.602 ( 2.255 11.524 -4.369) 12.529 3.781 ( -5.184 -4.717 -9.616) 11.899 3.903 ( 6.225 7.280 5.679) 11.135 3.968 ( 1.389 4.138 5.143) 6.746 4.069 ( 5.995 -3.379 5.041) 8.531 4.113 ( 2.217 -4.482 7.599) 9.096 4.351 ( -17.212 23.959 13.110) 32.283 4.418 ( -5.007 7.843 4.842) 10.489 4.492 ( -8.588 3.463 5.888) 10.973 4.750 ( -9.378 -8.544 1.935) 12.834 4.843 ( 6.505 15.753 -0.157) 17.044 4.892 ( -0.381 9.657 3.544) 10.294 4.933 ( 1.882 -3.817 0.931) 4.356 5.113 ( -2.518 4.928 2.399) 6.032 5.268 ( 0.434 -17.549 -6.607) 18.756 5.401 ( 7.907 -1.823 -4.649) 9.353 5.602 ( 5.002 6.695 -0.319) 8.363 5.930 ( -5.829 -20.865 2.279) 21.784 6.174 ( -1.060 3.832 -4.199) 5.783 6.260 ( 2.324 -0.111 -1.003) 2.533 6.359 ( -0.091 -2.895 -1.343) 3.192 6.420 ( -2.197 -7.905 -0.706) 8.235 6.865 ( 3.031 6.374 1.845) 7.295 6.914 ( -4.304 5.336 -1.184) 6.957 7.037 ( 0.829 -3.441 -0.913) 3.655 7.154 ( -0.756 -8.265 1.616) 8.456 7.327 ( 3.325 5.841 7.550) 10.108 7.518 ( 1.796 -7.804 5.369) 9.641 7.667 ( -3.029 8.313 -6.619) 11.049 7.794 ( -5.116 -0.219 -3.774) 6.361 7.926 ( -2.475 5.310 -6.461) 8.722 8.093 ( 3.634 7.728 -3.329) 9.166 8.118 ( -2.168 -5.312 -1.286) 5.880 8.255 ( 5.258 -6.452 -2.703) 8.751 8.551 ( -0.295 5.312 -4.917) 7.244 8.663 ( -1.839 -2.138 -2.864) 4.019 8.825 ( 0.071 -1.413 0.089) 1.418 8.911 ( 1.185 -4.341 -1.813) 4.851 9.120 ( 1.727 6.713 2.224) 7.280 9.262 ( 0.595 -7.315 3.768) 8.250 9.586 ( 1.318 6.169 -0.927) 6.376 9.663 ( 2.164 -0.256 -2.185) 3.086 9.937 ( -2.085 4.686 6.385) 8.190 10.115 ( -1.458 -10.884 6.855) 12.945 10.631 ( -1.144 7.991 2.190) 8.364 10.780 ( 0.427 -5.841 0.894) 5.924 11.069 ( -3.954 1.415 -3.301) 5.342 11.110 ( -6.662 -2.335 -3.627) 7.937 11.419 ( 1.055 12.842 -5.196) 13.893 11.693 ( 5.836 -10.797 -1.341) 12.346 11.984 ( 6.490 2.911 -2.139) 7.428 12.073 ( 6.499 -6.094 -1.953) 9.121 12.514 ( 3.076 7.354 -0.200) 7.973 12.731 ( -0.132 -12.590 -1.476) 12.677 13.014 ( 1.063 10.596 -0.796) 10.678 13.198 ( 9.374 -0.941 -0.816) 9.457 13.234 ( 0.464 -6.059 -5.065) 7.911 13.303 ( 6.694 -10.103 4.907) 13.075 13.656 ( -2.113 0.811 3.181) 3.904 13.728 ( 0.969 -3.302 1.717) 3.845 14.043 ( -7.311 7.345 -1.101) 10.422 14.178 ( -5.637 -5.103 0.058) 7.604 14.405 ( -0.227 10.112 -1.456) 10.219 14.623 ( 1.368 -10.517 -1.257) 10.680 15.010 ( 0.017 4.250 3.014) 5.210 15.082 ( 2.471 -2.114 3.368) 4.682 15.734 ( -5.667 4.700 -0.761) 7.402 15.854 ( -2.637 -6.590 -0.217) 7.101 16.457 ( 3.958 9.435 -1.051) 10.285 16.603 ( 5.304 -4.136 -1.117) 6.819 16.725 ( -2.208 4.301 3.682) 6.077 16.819 ( 1.598 -2.174 1.059) 2.899 16.988 ( -7.219 5.101 -2.929) 9.312 17.111 ( -8.961 -5.402 -4.473) 11.379 24.663 ( -3.274 3.102 1.909) 4.897 24.736 ( -4.711 -3.937 3.621) 7.127 24.951 ( -0.299 2.502 2.784) 3.755 25.000 ( -1.920 -2.021 1.522) 3.176 25.399 ( 0.163 2.254 3.750) 4.379 25.468 ( 0.425 -4.073 2.218) 4.657 25.741 ( -0.254 2.902 0.785) 3.017 25.793 ( -0.429 -1.961 0.331) 2.035 27.146 ( -0.655 5.389 2.247) 5.875 27.282 ( -1.443 -7.228 2.080) 7.659 27.587 ( 0.893 7.600 -1.341) 7.769 27.751 ( 2.029 -7.981 -2.051) 8.486 29.636 ( 1.825 1.756 0.791) 2.653 29.714 ( 1.104 -5.599 -0.019) 5.707 31.335 ( 3.299 7.978 -5.602) 10.291 31.422 ( 2.548 -0.338 -7.259) 7.700 ======================= Grid point 91 (41/104) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -6.293 0.000 33.806) 34.387 1.428 ( -1.932 0.000 38.140) 38.189 2.549 ( -5.433 0.000 51.095) 51.383 2.876 ( -1.126 0.000 24.167) 24.193 3.130 ( 2.999 0.000 -12.648) 12.999 3.192 ( 4.067 0.000 19.507) 19.926 3.480 ( 0.438 0.000 5.263) 5.281 3.635 ( -5.650 0.000 5.942) 8.200 3.699 ( -15.975 0.000 5.177) 16.793 3.995 ( 6.886 0.000 -3.194) 7.591 4.055 ( 4.848 0.000 10.348) 11.427 4.144 ( -2.317 0.000 -5.616) 6.075 4.185 ( 5.652 0.000 0.646) 5.689 4.197 ( 5.160 0.000 -2.052) 5.553 4.197 ( 4.412 0.000 5.125) 6.762 4.504 ( 3.336 0.000 -0.683) 3.405 4.734 ( -10.597 0.000 10.539) 14.945 4.822 ( 2.912 0.000 1.266) 3.175 4.909 ( -7.853 0.000 6.508) 10.199 5.103 ( -3.380 0.000 -8.798) 9.425 5.249 ( 8.990 0.000 -7.599) 11.772 5.871 ( -0.574 0.000 -0.065) 0.577 5.896 ( 2.645 0.000 -5.225) 5.856 6.040 ( -2.213 0.000 -19.400) 19.526 6.179 ( 8.607 0.000 -17.841) 19.808 6.287 ( -1.917 0.000 -3.401) 3.904 6.491 ( -6.282 0.000 -2.045) 6.606 6.570 ( 8.867 0.000 -4.628) 10.002 6.827 ( -5.459 0.000 -6.891) 8.791 6.940 ( -1.951 0.000 -2.605) 3.254 6.944 ( -4.599 0.000 3.032) 5.509 7.202 ( -8.438 0.000 4.047) 9.358 7.371 ( -5.199 0.000 3.304) 6.160 7.416 ( 0.684 0.000 3.184) 3.257 7.462 ( -10.069 0.000 -6.400) 11.931 7.511 ( 4.905 0.000 -4.582) 6.713 7.621 ( 10.699 0.000 1.981) 10.881 7.912 ( 0.039 0.000 8.181) 8.181 8.251 ( 7.849 0.000 4.345) 8.972 8.398 ( -5.322 0.000 -1.009) 5.417 8.601 ( -9.536 0.000 -2.687) 9.907 8.650 ( 2.186 0.000 -2.174) 3.083 8.826 ( 4.985 0.000 -8.459) 9.818 9.010 ( -4.528 0.000 8.597) 9.717 9.094 ( 5.126 0.000 -6.323) 8.140 9.165 ( 10.298 0.000 5.941) 11.889 9.310 ( 8.906 0.000 -7.661) 11.747 9.887 ( -11.426 0.000 -12.210) 16.723 10.120 ( -5.032 0.000 7.764) 9.252 10.324 ( -2.429 0.000 5.289) 5.820 10.786 ( -0.496 0.000 2.582) 2.629 10.873 ( -3.303 0.000 -5.234) 6.189 10.987 ( 2.994 0.000 -6.928) 7.548 11.050 ( -2.351 0.000 -2.136) 3.176 11.546 ( 1.994 0.000 4.729) 5.133 11.572 ( 2.637 0.000 7.860) 8.291 11.929 ( 4.511 0.000 6.919) 8.259 12.184 ( -4.073 0.000 1.058) 4.208 12.344 ( 0.258 0.000 -1.860) 1.877 12.638 ( 3.216 0.000 -8.132) 8.745 12.910 ( 6.023 0.000 -12.559) 13.929 13.188 ( -13.821 0.000 -18.356) 22.978 13.388 ( 15.401 0.000 -4.983) 16.187 13.489 ( -7.622 0.000 -1.457) 7.760 13.715 ( 2.697 0.000 11.641) 11.950 13.905 ( -16.469 0.000 2.365) 16.638 14.083 ( -2.061 0.000 -0.180) 2.069 14.276 ( 7.092 0.000 8.567) 11.122 14.648 ( -1.533 0.000 -1.278) 1.996 14.799 ( -3.700 0.000 0.262) 3.709 15.048 ( 7.171 0.000 -5.437) 8.999 15.314 ( 7.165 0.000 -1.722) 7.369 15.936 ( 18.502 0.000 -1.160) 18.538 15.975 ( -12.507 0.000 -0.092) 12.507 16.242 ( 10.911 0.000 4.699) 11.880 16.388 ( 2.023 0.000 5.431) 5.796 16.455 ( 1.624 0.000 2.442) 2.933 16.621 ( -0.170 0.000 0.626) 0.649 16.747 ( -10.316 0.000 3.790) 10.990 17.116 ( -2.957 0.000 -2.696) 4.001 24.529 ( -0.098 0.000 2.621) 2.623 24.757 ( -5.511 0.000 -1.982) 5.857 25.062 ( -1.678 0.000 4.349) 4.662 25.136 ( -3.407 0.000 11.627) 12.116 25.559 ( -2.894 0.000 2.898) 4.096 25.625 ( -1.982 0.000 -4.202) 4.646 25.812 ( 0.143 0.000 5.232) 5.234 26.210 ( -17.696 0.000 -4.278) 18.206 27.256 ( 0.498 0.000 8.547) 8.561 27.415 ( -3.863 0.000 4.093) 5.628 27.948 ( 1.068 0.000 -7.907) 7.979 28.202 ( 38.383 0.000 -10.111) 39.692 29.504 ( -0.115 0.000 1.470) 1.475 29.771 ( -0.862 0.000 -3.200) 3.315 30.425 ( -4.554 0.000 1.208) 4.711 30.626 ( 0.229 0.000 -2.105) 2.117 ======================= Grid point 92 (42/104) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 15.426 0.000 28.755) 32.631 1.702 ( 7.890 0.000 37.826) 38.641 2.617 ( -14.193 0.000 33.115) 36.028 2.938 ( -5.067 0.000 21.508) 22.097 3.132 ( 0.757 0.000 -9.738) 9.768 3.308 ( -9.068 0.000 1.917) 9.269 3.434 ( -15.206 0.000 0.994) 15.239 3.510 ( 6.576 0.000 5.571) 8.619 3.535 ( -4.072 0.000 25.535) 25.858 3.968 ( -5.877 0.000 -6.079) 8.456 4.018 ( -1.090 0.000 -8.682) 8.750 4.059 ( -5.248 0.000 4.817) 7.123 4.257 ( 0.689 0.000 1.742) 1.874 4.354 ( 4.843 0.000 13.395) 14.244 4.369 ( 5.973 0.000 -1.163) 6.085 4.439 ( -10.001 0.000 2.268) 10.255 4.597 ( -7.862 0.000 6.179) 9.999 4.890 ( 3.140 0.000 11.654) 12.070 5.031 ( 11.518 0.000 10.667) 15.698 5.072 ( 5.084 0.000 -10.887) 12.016 5.398 ( 11.261 0.000 -6.049) 12.783 5.649 ( -19.074 0.000 -23.392) 30.183 5.844 ( -3.863 0.000 -0.946) 3.977 5.892 ( -1.500 0.000 -9.992) 10.104 6.223 ( -0.765 0.000 -8.182) 8.217 6.247 ( 2.954 0.000 -13.957) 14.266 6.379 ( -4.234 0.000 1.399) 4.459 6.578 ( -6.128 0.000 1.330) 6.271 6.767 ( -5.720 0.000 -9.402) 11.005 6.816 ( 5.940 0.000 -4.244) 7.300 6.842 ( -5.149 0.000 0.041) 5.150 7.098 ( -3.789 0.000 4.150) 5.620 7.366 ( 2.198 0.000 -3.711) 4.313 7.385 ( 2.017 0.000 8.386) 8.625 7.598 ( 9.481 0.000 5.443) 10.933 7.614 ( 6.774 0.000 -1.206) 6.880 7.817 ( 6.796 0.000 3.668) 7.723 7.963 ( 0.692 0.000 6.980) 7.014 8.233 ( -7.458 0.000 -7.871) 10.843 8.423 ( -3.212 0.000 -6.312) 7.082 8.530 ( 18.204 0.000 0.081) 18.204 8.599 ( -6.109 0.000 -3.214) 6.903 8.860 ( 2.377 0.000 -8.236) 8.572 8.987 ( -0.813 0.000 2.535) 2.663 9.188 ( -6.099 0.000 -4.614) 7.648 9.207 ( 8.295 0.000 -2.363) 8.625 9.405 ( 0.957 0.000 -9.457) 9.505 9.623 ( -8.132 0.000 9.042) 12.161 10.154 ( 4.018 0.000 9.132) 9.976 10.220 ( -10.058 0.000 4.157) 10.883 10.767 ( -2.447 0.000 2.843) 3.751 10.857 ( 3.220 0.000 -4.253) 5.335 10.993 ( -2.613 0.000 -5.245) 5.860 11.128 ( 12.983 0.000 -3.795) 13.526 11.666 ( 2.646 0.000 6.118) 6.666 11.685 ( 7.938 0.000 6.831) 10.472 11.999 ( -3.389 0.000 6.231) 7.093 12.068 ( -6.766 0.000 -0.730) 6.805 12.364 ( 1.330 0.000 1.183) 1.780 12.619 ( 0.317 0.000 -9.580) 9.586 12.836 ( -13.611 0.000 -16.396) 21.309 12.906 ( 1.072 0.000 -12.783) 12.828 13.417 ( 0.280 0.000 5.037) 5.045 13.565 ( 7.139 0.000 -5.509) 9.018 13.663 ( -6.001 0.000 0.976) 6.080 13.874 ( 1.873 0.000 15.749) 15.860 14.085 ( 2.227 0.000 1.798) 2.863 14.425 ( 0.481 0.000 3.708) 3.739 14.596 ( -1.792 0.000 -3.587) 4.010 14.729 ( 2.315 0.000 -2.292) 3.258 15.219 ( 10.373 0.000 1.013) 10.422 15.282 ( -2.946 0.000 -10.649) 11.049 15.713 ( -14.747 0.000 -1.896) 14.868 16.202 ( 5.869 0.000 -4.337) 7.297 16.429 ( -6.482 0.000 4.736) 8.028 16.448 ( 8.116 0.000 3.834) 8.976 16.471 ( 2.523 0.000 -1.299) 2.838 16.595 ( -2.555 0.000 -1.253) 2.846 16.672 ( 3.747 0.000 8.756) 9.524 17.066 ( -0.416 0.000 -2.042) 2.084 24.584 ( 4.170 0.000 3.171) 5.239 24.697 ( -0.045 0.000 0.392) 0.394 25.033 ( -4.034 0.000 4.839) 6.299 25.180 ( 0.135 0.000 14.550) 14.550 25.516 ( -2.864 0.000 2.571) 3.849 25.553 ( -3.068 0.000 -2.835) 4.177 25.849 ( 0.452 0.000 5.353) 5.372 25.999 ( -6.201 0.000 2.233) 6.591 27.231 ( -6.955 0.000 6.928) 9.817 27.417 ( 1.203 0.000 4.551) 4.707 27.928 ( 1.574 0.000 -9.924) 10.049 28.492 ( 4.571 0.000 -19.776) 20.298 29.521 ( 0.939 0.000 1.671) 1.917 29.812 ( 6.126 0.000 -4.310) 7.490 30.417 ( 2.274 0.000 2.154) 3.132 30.614 ( -0.197 0.000 -2.132) 2.141 ======================= Grid point 93 (43/104) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 6.680 0.000 33.324) 33.987 2.120 ( 26.556 0.000 20.750) 33.701 2.379 ( -24.434 0.000 17.883) 30.280 2.851 ( -23.116 0.000 2.390) 23.239 2.951 ( -4.775 0.000 11.575) 12.521 3.109 ( -9.214 0.000 4.264) 10.153 3.296 ( -0.156 0.000 -7.004) 7.006 3.516 ( -3.215 0.000 6.139) 6.930 3.678 ( -10.418 0.000 2.104) 10.628 3.875 ( -1.185 0.000 -3.509) 3.704 3.977 ( -7.268 0.000 8.977) 11.550 3.996 ( 5.567 0.000 17.562) 18.423 4.221 ( -8.334 0.000 -3.646) 9.097 4.231 ( -3.628 0.000 -2.505) 4.409 4.425 ( -0.487 0.000 8.199) 8.213 4.506 ( 1.399 0.000 10.219) 10.315 4.523 ( 0.683 0.000 -5.858) 5.897 5.010 ( -13.451 0.000 -3.228) 13.833 5.156 ( 13.993 0.000 4.452) 14.684 5.191 ( 1.118 0.000 5.123) 5.244 5.235 ( -3.180 0.000 -11.215) 11.657 5.593 ( 3.842 0.000 -6.107) 7.215 5.711 ( -0.090 0.000 -4.732) 4.733 5.790 ( -1.501 0.000 -12.973) 13.059 6.200 ( 0.351 0.000 -8.800) 8.807 6.209 ( 2.033 0.000 -4.516) 4.953 6.358 ( 0.876 0.000 3.940) 4.037 6.418 ( -8.497 0.000 2.731) 8.925 6.686 ( -0.472 0.000 -7.760) 7.774 6.843 ( 2.762 0.000 9.395) 9.792 7.013 ( 14.604 0.000 0.548) 14.614 7.080 ( -1.260 0.000 3.853) 4.054 7.455 ( 6.941 0.000 -1.164) 7.038 7.472 ( 3.191 0.000 2.893) 4.307 7.701 ( -3.780 0.000 10.985) 11.617 7.720 ( 1.273 0.000 4.917) 5.079 7.911 ( 7.865 0.000 -3.576) 8.640 8.004 ( -0.984 0.000 3.920) 4.042 8.048 ( -5.412 0.000 -7.498) 9.248 8.399 ( -7.109 0.000 -0.159) 7.111 8.504 ( 7.236 0.000 -6.477) 9.712 8.793 ( 7.282 0.000 -6.417) 9.705 8.804 ( -3.307 0.000 -7.172) 7.898 8.989 ( -8.605 0.000 -5.045) 9.975 9.017 ( 3.633 0.000 -2.924) 4.664 9.328 ( 5.303 0.000 -4.135) 6.725 9.411 ( 5.522 0.000 -11.023) 12.329 9.587 ( -2.885 0.000 12.191) 12.528 10.050 ( -9.037 0.000 3.789) 9.799 10.319 ( 7.222 0.000 8.570) 11.208 10.749 ( -1.343 0.000 4.524) 4.719 10.877 ( -6.400 0.000 1.071) 6.489 10.937 ( 7.071 0.000 -8.605) 11.138 11.346 ( 10.094 0.000 0.073) 10.095 11.674 ( -3.894 0.000 -3.107) 4.981 11.805 ( -8.289 0.000 4.145) 9.267 11.942 ( 5.939 0.000 5.891) 8.365 12.008 ( 0.995 0.000 3.208) 3.359 12.393 ( 0.594 0.000 2.952) 3.011 12.551 ( -7.359 0.000 -13.386) 15.275 12.566 ( -0.385 0.000 -9.140) 9.148 12.842 ( -1.711 0.000 -10.460) 10.599 13.462 ( 1.435 0.000 -5.682) 5.860 13.639 ( 4.784 0.000 -3.839) 6.133 13.684 ( 5.643 0.000 11.679) 12.971 13.978 ( -0.158 0.000 15.764) 15.765 14.148 ( 2.137 0.000 1.935) 2.883 14.302 ( -9.170 0.000 -5.273) 10.577 14.564 ( 0.700 0.000 -3.822) 3.885 14.887 ( 10.540 0.000 1.756) 10.686 15.143 ( -4.301 0.000 -15.662) 16.242 15.385 ( -2.794 0.000 4.782) 5.538 15.453 ( -2.506 0.000 -4.762) 5.381 16.196 ( -4.013 0.000 3.037) 5.033 16.265 ( -8.233 0.000 -2.633) 8.644 16.473 ( -1.313 0.000 -1.056) 1.685 16.474 ( -5.382 0.000 -1.013) 5.477 16.609 ( 4.444 0.000 -1.788) 4.790 16.877 ( 8.682 0.000 8.185) 11.932 17.088 ( 2.615 0.000 1.389) 2.961 24.699 ( 5.632 0.000 3.434) 6.596 24.739 ( 3.027 0.000 1.925) 3.587 24.965 ( -5.896 0.000 5.373) 7.977 25.277 ( 2.625 0.000 10.791) 11.106 25.491 ( -1.274 0.000 3.006) 3.265 25.508 ( -1.159 0.000 2.900) 3.123 25.875 ( -0.811 0.000 5.477) 5.537 25.949 ( -1.480 0.000 3.198) 3.524 27.130 ( -6.231 0.000 4.293) 7.567 27.465 ( 0.753 0.000 5.380) 5.432 27.885 ( 0.004 0.000 -14.617) 14.617 28.346 ( -6.735 0.000 -15.720) 17.102 29.546 ( 0.524 0.000 1.911) 1.981 29.883 ( 3.162 0.000 -3.665) 4.841 30.500 ( 5.571 0.000 -1.287) 5.718 30.601 ( 0.120 0.000 -1.918) 1.922 ======================= Grid point 94 (44/104) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -26.967 0.000 17.089) 31.926 2.171 ( -16.657 0.000 21.385) 27.107 2.475 ( -10.340 0.000 12.207) 15.998 2.716 ( 26.513 0.000 13.847) 29.911 2.986 ( 2.742 0.000 5.548) 6.188 3.012 ( -4.947 0.000 4.042) 6.388 3.283 ( 3.597 0.000 -4.388) 5.674 3.290 ( -27.002 0.000 12.632) 29.810 3.520 ( -3.824 0.000 9.596) 10.329 3.837 ( -2.957 0.000 -4.209) 5.144 3.895 ( -6.896 0.000 10.629) 12.669 4.041 ( -5.221 0.000 -8.893) 10.312 4.132 ( -3.511 0.000 -0.700) 3.580 4.189 ( 2.330 0.000 1.932) 3.027 4.453 ( -1.070 0.000 4.871) 4.987 4.538 ( -3.792 0.000 0.440) 3.817 4.577 ( 7.773 0.000 -4.260) 8.864 4.739 ( -4.944 0.000 17.929) 18.598 5.181 ( -1.884 0.000 -3.539) 4.009 5.240 ( 3.419 0.000 -10.057) 10.622 5.415 ( -9.782 0.000 -4.248) 10.664 5.455 ( 10.927 0.000 0.382) 10.933 5.780 ( 8.664 0.000 -10.327) 13.480 5.818 ( 5.304 0.000 -5.152) 7.394 6.199 ( 3.370 0.000 -10.943) 11.451 6.271 ( 5.967 0.000 -1.449) 6.140 6.350 ( 1.357 0.000 6.970) 7.101 6.424 ( 3.185 0.000 3.552) 4.771 6.641 ( -1.735 0.000 -3.943) 4.308 6.980 ( 2.309 0.000 15.359) 15.531 7.090 ( 1.349 0.000 2.705) 3.023 7.297 ( 12.346 0.000 7.566) 14.480 7.510 ( -2.143 0.000 2.978) 3.669 7.533 ( 1.272 0.000 -6.321) 6.447 7.619 ( -6.037 0.000 6.240) 8.683 7.715 ( -3.377 0.000 1.129) 3.561 7.891 ( -1.340 0.000 -4.319) 4.522 8.051 ( 3.434 0.000 -0.207) 3.440 8.101 ( 2.464 0.000 13.055) 13.285 8.241 ( -5.917 0.000 1.309) 6.060 8.661 ( 6.874 0.000 -10.411) 12.476 8.714 ( 2.059 0.000 -3.514) 4.073 8.721 ( -7.837 0.000 -12.631) 14.865 8.853 ( -4.326 0.000 -0.117) 4.328 9.070 ( 3.427 0.000 -3.354) 4.795 9.325 ( -2.633 0.000 -5.482) 6.081 9.377 ( -2.243 0.000 -13.397) 13.583 9.687 ( 6.663 0.000 4.565) 8.077 9.987 ( 0.481 0.000 4.571) 4.596 10.465 ( 1.609 0.000 9.340) 9.478 10.749 ( -4.434 0.000 -1.416) 4.654 10.763 ( -0.260 0.000 5.686) 5.692 11.072 ( 9.628 0.000 -5.177) 10.932 11.447 ( -2.002 0.000 2.090) 2.894 11.536 ( -5.026 0.000 -6.635) 8.323 11.601 ( -10.735 0.000 3.295) 11.230 12.079 ( 2.895 0.000 2.474) 3.808 12.179 ( 12.719 0.000 5.819) 13.987 12.413 ( -0.089 0.000 2.599) 2.600 12.489 ( 8.294 0.000 -9.538) 12.639 12.522 ( 0.572 0.000 -7.241) 7.264 12.719 ( -5.508 0.000 -10.788) 12.113 13.428 ( -0.181 0.000 -7.654) 7.656 13.724 ( 5.651 0.000 -2.100) 6.029 13.902 ( 8.190 0.000 14.338) 16.513 14.013 ( -4.139 0.000 11.201) 11.941 14.094 ( -6.740 0.000 -7.819) 10.323 14.175 ( -1.954 0.000 1.872) 2.706 14.592 ( 3.992 0.000 -0.892) 4.091 14.968 ( -5.231 0.000 -17.353) 18.124 15.053 ( 6.311 0.000 -0.856) 6.369 15.150 ( -12.612 0.000 -2.886) 12.938 15.602 ( 8.763 0.000 4.087) 9.669 16.061 ( -8.395 0.000 0.017) 8.395 16.204 ( -0.316 0.000 1.297) 1.335 16.364 ( -4.814 0.000 -2.232) 5.306 16.429 ( -2.387 0.000 -1.115) 2.635 16.644 ( 0.717 0.000 -2.710) 2.803 17.018 ( 2.100 0.000 6.708) 7.029 17.155 ( 2.651 0.000 3.018) 4.017 24.765 ( -2.843 0.000 2.507) 3.790 24.805 ( 2.175 0.000 3.683) 4.277 24.920 ( 0.197 0.000 6.003) 6.006 25.348 ( 1.494 0.000 -1.974) 2.476 25.502 ( 0.435 0.000 3.786) 3.811 25.569 ( 3.396 0.000 10.848) 11.367 25.872 ( -2.595 0.000 5.482) 6.066 25.993 ( 4.289 0.000 10.480) 11.323 27.069 ( -2.125 0.000 3.520) 4.112 27.495 ( -0.622 0.000 5.547) 5.582 27.739 ( -6.207 0.000 -22.753) 23.584 28.156 ( -5.325 0.000 -10.432) 11.713 29.554 ( -0.898 0.000 1.934) 2.132 29.895 ( 0.128 0.000 -2.116) 2.119 30.586 ( 4.846 0.000 -4.134) 6.370 30.601 ( 0.873 0.000 -1.670) 1.885 ======================= Grid point 95 (45/104) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -22.917 0.000 25.109) 33.995 1.770 ( -28.666 0.000 18.363) 34.043 2.557 ( 2.750 0.000 21.121) 21.299 2.815 ( -32.407 0.000 28.401) 43.091 2.942 ( -1.409 0.000 2.844) 3.174 3.104 ( 8.703 0.000 -3.330) 9.319 3.227 ( 17.092 0.000 10.094) 19.850 3.387 ( 6.085 0.000 3.550) 7.045 3.558 ( 0.655 0.000 20.204) 20.214 3.757 ( 1.518 0.000 -6.755) 6.923 3.843 ( -4.661 0.000 11.439) 12.352 3.960 ( 1.681 0.000 -8.458) 8.623 4.118 ( 1.495 0.000 -1.250) 1.949 4.186 ( -1.324 0.000 -1.191) 1.781 4.431 ( -3.766 0.000 3.585) 5.199 4.438 ( -2.157 0.000 -6.249) 6.611 4.708 ( 6.138 0.000 -0.857) 6.197 4.899 ( 4.364 0.000 18.804) 19.304 5.119 ( 0.308 0.000 -10.803) 10.808 5.227 ( -10.857 0.000 2.722) 11.193 5.249 ( 3.376 0.000 -7.376) 8.112 5.540 ( 3.529 0.000 -5.853) 6.835 5.863 ( 2.682 0.000 -3.549) 4.449 5.953 ( 13.919 0.000 -15.801) 21.058 6.159 ( -0.472 0.000 -5.350) 5.371 6.350 ( 2.130 0.000 -0.840) 2.290 6.499 ( 3.400 0.000 1.374) 3.667 6.559 ( -3.115 0.000 -2.300) 3.873 6.580 ( 13.266 0.000 5.072) 14.203 7.039 ( -3.291 0.000 11.728) 12.182 7.171 ( 6.395 0.000 0.815) 6.446 7.352 ( -7.815 0.000 -14.988) 16.902 7.421 ( -7.891 0.000 6.491) 10.218 7.541 ( 2.799 0.000 3.524) 4.500 7.555 ( -4.740 0.000 -0.268) 4.747 7.666 ( -0.774 0.000 6.394) 6.440 7.960 ( 5.332 0.000 7.494) 9.197 7.968 ( -12.168 0.000 0.823) 12.196 8.179 ( -6.783 0.000 14.400) 15.918 8.256 ( 7.205 0.000 2.083) 7.500 8.475 ( -6.129 0.000 -11.270) 12.828 8.666 ( 4.555 0.000 -6.071) 7.589 8.811 ( -2.161 0.000 3.692) 4.278 8.828 ( 5.353 0.000 -4.593) 7.053 9.093 ( 1.168 0.000 -5.096) 5.228 9.218 ( -6.034 0.000 -1.880) 6.320 9.259 ( 0.518 0.000 -17.520) 17.528 9.821 ( 7.125 0.000 -1.345) 7.251 10.087 ( 6.644 0.000 4.534) 8.043 10.403 ( -10.759 0.000 7.531) 13.133 10.785 ( -0.676 0.000 4.731) 4.779 10.790 ( 7.654 0.000 -1.308) 7.765 11.165 ( 1.231 0.000 -2.463) 2.754 11.280 ( -9.781 0.000 -7.018) 12.038 11.493 ( -1.842 0.000 4.040) 4.440 11.525 ( 1.328 0.000 2.695) 3.005 12.133 ( 2.598 0.000 1.047) 2.802 12.299 ( -7.246 0.000 -12.062) 14.071 12.411 ( -1.144 0.000 0.753) 1.370 12.527 ( 3.585 0.000 -5.151) 6.276 12.637 ( 7.654 0.000 -1.563) 7.812 12.720 ( 19.291 0.000 -6.883) 20.482 13.410 ( 1.530 0.000 0.182) 1.540 13.738 ( -3.334 0.000 -11.928) 12.385 13.908 ( -9.294 0.000 2.878) 9.730 14.015 ( 1.555 0.000 2.241) 2.727 14.147 ( 10.055 0.000 10.420) 14.480 14.149 ( -0.976 0.000 2.071) 2.290 14.688 ( 2.558 0.000 0.689) 2.649 14.779 ( -4.915 0.000 -5.806) 7.607 14.920 ( -9.905 0.000 -2.197) 10.146 15.108 ( 1.166 0.000 -5.335) 5.461 15.796 ( 9.641 0.000 5.427) 11.063 15.931 ( -4.321 0.000 -6.005) 7.398 16.227 ( 1.188 0.000 4.567) 4.719 16.275 ( -4.556 0.000 -0.432) 4.576 16.392 ( -1.064 0.000 1.065) 1.505 16.626 ( -0.580 0.000 -2.416) 2.484 17.025 ( -4.628 0.000 5.336) 7.064 17.196 ( 0.190 0.000 1.873) 1.882 24.664 ( -7.261 0.000 2.569) 7.702 24.850 ( 0.260 0.000 4.252) 4.260 24.993 ( 2.727 0.000 4.857) 5.570 25.315 ( -3.088 0.000 -4.106) 5.137 25.541 ( 1.161 0.000 4.279) 4.433 25.657 ( 1.746 0.000 0.634) 1.858 25.840 ( -3.699 0.000 5.150) 6.341 26.324 ( 23.096 0.000 21.873) 31.809 27.090 ( 1.850 0.000 4.641) 4.996 27.410 ( -15.110 0.000 -24.066) 28.416 27.499 ( -2.241 0.000 5.650) 6.078 28.043 ( -2.256 0.000 -7.810) 8.130 29.536 ( -1.868 0.000 1.772) 2.575 29.875 ( -1.195 0.000 -1.522) 1.935 30.613 ( 1.259 0.000 -1.659) 2.083 30.618 ( 1.119 0.000 -6.727) 6.819 ======================= Grid point 96 (46/104) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -17.177 0.000 30.836) 35.297 1.438 ( -18.736 0.000 29.502) 34.948 2.491 ( -20.795 0.000 48.082) 52.386 2.732 ( 2.969 0.000 22.705) 22.898 3.019 ( 5.038 0.000 11.872) 12.897 3.166 ( 1.261 0.000 -10.871) 10.944 3.434 ( 0.875 0.000 11.808) 11.841 3.561 ( 8.543 0.000 9.485) 12.765 3.763 ( 8.895 0.000 11.718) 14.712 3.855 ( 5.328 0.000 4.861) 7.212 3.912 ( 11.997 0.000 2.452) 12.245 3.938 ( -2.962 0.000 -3.700) 4.739 4.151 ( 3.145 0.000 -3.902) 5.012 4.151 ( 0.098 0.000 -2.770) 2.772 4.340 ( -8.329 0.000 3.272) 8.948 4.429 ( 4.258 0.000 -4.745) 6.375 4.764 ( 0.610 0.000 -0.307) 0.683 4.980 ( -13.290 0.000 2.276) 13.483 4.985 ( -2.471 0.000 6.439) 6.897 5.155 ( 5.097 0.000 -7.510) 9.076 5.235 ( -3.748 0.000 -5.771) 6.881 5.694 ( 17.406 0.000 -2.939) 17.652 5.879 ( 0.577 0.000 -1.946) 2.030 6.007 ( 2.979 0.000 -14.346) 14.652 6.231 ( 7.410 0.000 -7.383) 10.460 6.337 ( -2.166 0.000 -0.962) 2.370 6.447 ( -2.358 0.000 -2.082) 3.146 6.553 ( 1.022 0.000 -0.559) 1.165 6.838 ( 10.283 0.000 -2.254) 10.527 6.999 ( -5.768 0.000 9.365) 10.999 7.079 ( -11.103 0.000 -15.407) 18.991 7.302 ( -3.536 0.000 5.938) 6.911 7.344 ( 6.674 0.000 -4.496) 8.047 7.487 ( -0.601 0.000 2.870) 2.932 7.506 ( -5.646 0.000 -0.226) 5.651 7.674 ( -15.384 0.000 -6.064) 16.536 7.695 ( -6.231 0.000 4.024) 7.417 7.947 ( -12.175 0.000 4.764) 13.074 8.113 ( 5.131 0.000 6.102) 7.972 8.457 ( -0.848 0.000 3.960) 4.050 8.473 ( 10.607 0.000 7.269) 12.859 8.748 ( 6.606 0.000 -5.849) 8.823 8.808 ( -5.052 0.000 -5.061) 7.151 8.873 ( 9.171 0.000 8.609) 12.579 9.066 ( -1.739 0.000 -3.014) 3.479 9.103 ( -4.235 0.000 -1.107) 4.378 9.247 ( 6.037 0.000 -14.225) 15.453 9.944 ( 7.544 0.000 -7.331) 10.519 10.238 ( -9.877 0.000 5.150) 11.139 10.245 ( 6.652 0.000 4.941) 8.286 10.785 ( -1.209 0.000 2.758) 3.012 10.912 ( 5.684 0.000 -7.008) 9.024 11.079 ( -7.156 0.000 -7.100) 10.080 11.128 ( -5.146 0.000 5.249) 7.350 11.504 ( 0.351 0.000 6.620) 6.629 11.583 ( 0.701 0.000 -3.917) 3.979 11.952 ( -13.991 0.000 -6.876) 15.590 12.186 ( 1.931 0.000 1.494) 2.441 12.379 ( -2.009 0.000 -1.619) 2.581 12.586 ( 5.713 0.000 -6.318) 8.518 12.823 ( 9.754 0.000 -7.346) 12.211 13.070 ( 20.837 0.000 -5.620) 21.581 13.507 ( 5.331 0.000 7.411) 9.129 13.515 ( -10.695 0.000 -17.739) 20.713 13.728 ( -9.211 0.000 -0.713) 9.238 14.083 ( 1.739 0.000 5.785) 6.041 14.173 ( 1.106 0.000 3.043) 3.238 14.227 ( -10.307 0.000 -6.393) 12.129 14.632 ( 1.615 0.000 4.216) 4.515 14.803 ( -1.531 0.000 1.431) 2.096 14.961 ( 16.913 0.000 15.381) 22.861 15.060 ( -1.517 0.000 -8.561) 8.695 15.828 ( -1.819 0.000 -7.525) 7.742 16.014 ( 10.746 0.000 5.264) 11.966 16.164 ( -8.079 0.000 0.626) 8.103 16.301 ( 3.943 0.000 4.713) 6.145 16.408 ( 1.124 0.000 3.584) 3.756 16.614 ( 0.350 0.000 -0.666) 0.752 16.916 ( -9.356 0.000 4.147) 10.234 17.179 ( -2.360 0.000 -0.561) 2.426 24.561 ( -4.692 0.000 2.416) 5.278 24.849 ( -2.527 0.000 1.043) 2.734 25.049 ( 0.631 0.000 4.270) 4.317 25.205 ( -6.883 0.000 1.088) 6.969 25.574 ( -0.344 0.000 3.881) 3.896 25.661 ( -0.059 0.000 -3.020) 3.021 25.805 ( -2.462 0.000 4.969) 5.546 26.645 ( -12.812 0.000 -19.326) 23.187 27.172 ( 3.285 0.000 6.604) 7.376 27.363 ( 34.981 0.000 17.042) 38.912 27.470 ( -4.019 0.000 5.448) 6.770 27.980 ( -0.377 0.000 -7.359) 7.369 29.512 ( -1.501 0.000 1.548) 2.156 29.832 ( -2.487 0.000 -2.539) 3.554 30.545 ( -5.113 0.000 -5.818) 7.746 30.625 ( 0.934 0.000 -1.879) 2.099 ======================= Grid point 97 (47/104) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -10.615 15.617 27.950) 33.731 1.569 ( 3.005 14.680 30.439) 33.927 2.785 ( 1.421 4.208 24.801) 25.196 2.884 ( -7.101 16.944 30.468) 35.578 3.119 ( 1.165 2.083 -9.954) 10.236 3.397 ( 0.593 11.123 12.940) 17.074 3.547 ( -0.517 5.940 2.761) 6.570 3.679 ( -11.094 4.101 11.566) 16.543 3.801 ( 2.093 -2.372 0.561) 3.212 3.900 ( -3.811 3.938 -3.408) 6.453 4.046 ( 7.497 -8.342 4.103) 11.943 4.119 ( 6.366 0.990 9.400) 11.396 4.160 ( -1.734 1.463 -5.997) 6.412 4.184 ( -1.926 5.550 3.495) 6.836 4.378 ( 1.340 6.310 1.862) 6.714 4.480 ( 7.296 1.127 -1.408) 7.516 4.674 ( -2.722 -2.085 10.000) 10.571 4.681 ( -3.882 -5.382 2.451) 7.074 5.083 ( -4.670 5.735 5.817) 9.409 5.172 ( -1.186 0.474 -1.815) 2.220 5.325 ( 3.854 11.576 -16.415) 20.452 5.755 ( 1.140 -10.100 -0.404) 10.172 5.893 ( 0.359 0.608 -5.503) 5.548 5.975 ( 10.636 -7.549 -4.631) 13.840 6.170 ( -6.840 5.105 -7.318) 11.243 6.243 ( 0.639 -3.489 -6.115) 7.069 6.518 ( 5.246 -3.743 -2.740) 7.003 6.630 ( 1.445 5.939 -6.816) 9.155 6.676 ( -1.852 -8.004 -4.210) 9.231 6.858 ( -3.049 1.942 0.544) 3.656 7.080 ( -7.379 0.060 0.415) 7.391 7.188 ( -2.267 -3.704 2.637) 5.080 7.351 ( -9.806 0.441 -6.921) 12.011 7.408 ( -4.066 2.115 1.620) 4.861 7.502 ( -8.225 5.176 -0.415) 9.727 7.581 ( 6.075 3.635 -2.702) 7.577 7.736 ( 7.342 5.921 6.891) 11.681 7.950 ( -0.038 4.471 3.895) 5.930 8.210 ( 11.689 -3.783 3.374) 12.741 8.398 ( -2.709 0.435 1.429) 3.094 8.575 ( -9.230 -3.775 -4.977) 11.145 8.688 ( 2.252 4.073 -0.992) 4.758 8.821 ( 1.506 -5.027 -7.643) 9.271 8.892 ( 4.351 -4.224 5.412) 8.128 9.063 ( 3.263 -0.055 -4.274) 5.377 9.267 ( 2.298 4.507 -3.575) 6.194 9.296 ( 7.627 -0.744 -5.918) 9.683 9.834 ( -8.524 -5.304 -4.201) 10.883 10.098 ( -2.992 -1.162 7.909) 8.536 10.396 ( -2.879 5.490 5.510) 8.294 10.732 ( 1.108 -5.191 1.652) 5.559 10.888 ( -0.727 0.703 -5.602) 5.692 10.972 ( -0.953 -0.805 -4.475) 4.646 11.035 ( -2.247 -1.138 -2.460) 3.521 11.204 ( 2.341 -13.056 8.901) 15.974 11.764 ( 6.946 2.699 0.512) 7.470 11.982 ( 0.210 4.641 6.018) 7.603 12.247 ( -4.875 -0.556 -3.434) 5.989 12.363 ( 1.304 5.233 -2.326) 5.873 12.595 ( 0.644 -2.523 -7.322) 7.771 12.914 ( 4.768 -1.070 -12.236) 13.175 13.177 ( 3.820 -10.864 -3.303) 11.980 13.233 ( -9.344 2.378 -15.505) 18.259 13.592 ( -1.016 2.475 -6.677) 7.193 13.749 ( -0.116 2.047 8.496) 8.740 13.868 ( -7.979 -1.616 5.777) 9.982 14.063 ( 0.176 -4.257 3.832) 5.730 14.272 ( 4.079 1.340 5.559) 7.024 14.579 ( 1.452 -4.200 -0.791) 4.514 14.801 ( 1.750 -2.373 5.369) 6.125 14.918 ( -2.135 -8.621 -5.959) 10.695 15.389 ( -0.439 6.923 -2.785) 7.476 15.682 ( 9.941 -8.363 11.076) 17.072 16.190 ( 5.977 1.438 -2.374) 6.590 16.256 ( 4.890 4.599 4.728) 8.210 16.459 ( -1.094 4.677 1.544) 5.045 16.543 ( 2.403 5.625 -3.201) 6.903 16.595 ( -0.700 0.569 -0.400) 0.986 16.808 ( -5.975 4.581 1.997) 7.789 17.089 ( -3.674 -2.685 -2.495) 5.190 24.548 ( 0.062 1.768 2.193) 2.818 24.752 ( -5.553 -0.538 -1.389) 5.750 25.064 ( -1.610 0.211 4.610) 4.887 25.129 ( -1.871 -0.493 10.973) 11.142 25.563 ( -2.855 -0.199 2.330) 3.691 25.618 ( -1.028 -0.484 -2.721) 2.949 25.776 ( -1.255 -3.338 5.267) 6.360 26.089 ( -9.137 -9.279 1.896) 13.159 27.249 ( -1.446 -2.491 8.224) 8.714 27.372 ( 2.388 -1.291 3.313) 4.283 27.717 ( 8.493 -19.272 1.238) 21.097 27.979 ( 9.678 -4.966 -5.049) 11.992 29.635 ( -3.498 1.120 -3.807) 5.290 29.906 ( 6.292 2.355 -9.330) 11.497 30.593 ( -2.344 21.549 -4.978) 22.240 30.812 ( 1.236 12.793 -3.841) 13.414 ======================= Grid point 98 (48/104) ======================= q-point: ( 0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 3.070 3.183 31.856) 32.161 1.896 ( 13.801 15.785 25.359) 32.905 2.810 ( -16.485 12.651 20.139) 28.937 2.931 ( 1.141 -1.136 13.908) 14.001 3.066 ( -5.205 0.769 -2.680) 5.905 3.383 ( -10.353 1.382 -2.049) 10.644 3.472 ( -2.392 1.749 11.264) 11.647 3.628 ( -8.468 11.668 19.839) 24.525 3.659 ( -4.805 10.933 -4.946) 12.926 3.902 ( 1.087 -9.024 -4.625) 10.198 4.007 ( -1.984 -0.737 -9.452) 9.686 4.118 ( -1.965 -3.705 -0.149) 4.197 4.195 ( -3.332 2.690 -0.032) 4.282 4.318 ( 2.880 9.678 14.579) 17.734 4.402 ( 3.387 -6.098 9.068) 11.440 4.512 ( -5.486 5.526 4.199) 8.847 4.604 ( -2.904 1.055 5.512) 6.319 4.802 ( 5.231 -3.311 7.367) 9.622 5.078 ( 3.050 9.582 10.292) 14.389 5.217 ( 5.451 -1.376 -4.822) 7.407 5.376 ( 7.783 5.049 -10.663) 14.134 5.709 ( -6.024 -1.364 -9.660) 11.466 5.772 ( -4.179 -3.585 -5.888) 8.061 5.986 ( -4.242 8.713 -9.969) 13.903 6.076 ( -7.936 -4.701 -4.680) 10.343 6.206 ( 6.323 -0.471 -4.448) 7.745 6.504 ( -11.666 0.534 -0.255) 11.681 6.621 ( 4.956 -5.099 -4.639) 8.490 6.686 ( 0.529 8.783 -3.130) 9.339 6.804 ( 2.710 0.805 2.068) 3.502 6.973 ( -2.427 5.270 -5.798) 8.202 7.133 ( -4.353 1.686 3.166) 5.640 7.284 ( 3.654 -6.543 -4.460) 8.721 7.395 ( -1.289 1.228 4.893) 5.207 7.459 ( 6.880 -5.642 5.774) 10.607 7.651 ( 1.725 2.441 -0.680) 3.065 7.897 ( 4.205 2.767 6.498) 8.220 7.985 ( 1.169 2.236 5.459) 6.014 8.316 ( -4.707 6.096 -4.751) 9.049 8.348 ( -3.347 -4.421 -5.687) 7.943 8.550 ( 10.725 0.211 -1.231) 10.798 8.682 ( 1.630 4.910 -3.850) 6.449 8.790 ( 0.577 -6.355 -8.118) 10.326 8.942 ( -0.298 -3.572 0.884) 3.692 9.120 ( 3.488 -2.450 -4.676) 6.327 9.273 ( 1.219 2.279 -4.343) 5.054 9.368 ( 2.033 -2.792 -8.615) 9.282 9.640 ( -8.162 0.370 6.683) 10.555 10.131 ( 0.657 -0.576 9.060) 9.102 10.311 ( -6.664 6.621 4.035) 10.224 10.733 ( -2.252 -3.764 4.255) 6.111 10.884 ( 1.463 1.693 -1.878) 2.921 10.966 ( -1.356 -2.128 -2.466) 3.528 11.060 ( 9.473 -4.003 -6.145) 11.980 11.355 ( 9.131 -12.648 5.372) 16.499 11.910 ( 3.801 -3.593 3.656) 6.382 11.929 ( -5.322 4.682 0.451) 7.102 12.149 ( -5.885 3.527 -1.267) 6.977 12.384 ( 1.267 2.763 1.235) 3.280 12.500 ( -5.141 -6.600 -8.858) 12.184 12.904 ( 1.270 -0.467 -10.706) 10.792 12.988 ( -7.645 8.892 -13.662) 18.004 13.219 ( 3.262 -13.547 2.188) 14.105 13.571 ( 2.026 -3.417 -10.079) 10.833 13.693 ( -4.675 2.742 6.599) 8.539 13.918 ( 2.356 2.808 13.737) 14.218 14.103 ( 3.169 1.045 3.000) 4.487 14.333 ( -2.745 -3.193 2.852) 5.086 14.623 ( 5.062 -1.121 -1.112) 5.303 14.754 ( -2.082 0.569 -5.459) 5.870 14.962 ( 0.405 -14.597 2.882) 14.884 15.314 ( 0.134 0.927 -2.971) 3.115 15.789 ( -4.338 5.268 1.681) 7.028 16.270 ( 1.964 2.761 -5.217) 6.221 16.330 ( 0.902 -3.333 1.185) 3.651 16.457 ( -6.103 2.150 4.066) 7.642 16.521 ( 4.710 -2.138 -0.209) 5.177 16.658 ( 3.067 7.887 -1.145) 8.540 16.772 ( 3.270 6.660 3.540) 8.221 17.043 ( 0.470 -1.987 -2.372) 3.129 24.601 ( 3.989 1.501 2.776) 5.087 24.699 ( 0.226 0.156 0.600) 0.660 25.039 ( -3.755 0.669 4.610) 5.984 25.184 ( 0.498 0.291 13.409) 13.422 25.508 ( -3.669 -0.522 1.080) 3.861 25.580 ( -1.503 1.891 -1.253) 2.721 25.788 ( -0.824 -5.082 6.024) 7.924 25.983 ( -3.697 -1.597 2.129) 4.555 27.202 ( -6.349 -2.583 5.574) 8.835 27.427 ( 1.789 1.142 4.238) 4.740 27.795 ( 2.130 -13.815 -4.186) 14.592 28.136 ( 7.601 -18.746 -9.345) 22.283 29.536 ( -4.285 1.132 -0.979) 4.539 29.970 ( 5.359 -1.226 -10.299) 11.674 30.517 ( -3.297 19.576 0.449) 19.856 30.847 ( 4.030 14.656 -5.178) 16.058 ======================= Grid point 99 (49/104) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 8.361 -5.431 31.419) 32.963 2.271 ( 9.212 6.680 16.029) 19.657 2.514 ( -16.839 8.423 9.230) 20.969 2.808 ( -21.421 1.154 2.720) 21.624 2.954 ( -3.275 1.726 9.647) 10.333 3.279 ( -0.499 -0.062 -4.759) 4.785 3.366 ( -5.228 13.508 0.153) 14.485 3.674 ( -2.577 10.353 22.304) 24.725 3.684 ( 4.079 3.363 3.003) 6.079 3.838 ( -1.645 -2.892 -5.288) 6.247 3.932 ( -14.822 -5.455 -1.531) 15.868 3.980 ( -0.280 -0.732 -3.256) 3.349 4.142 ( -0.730 3.315 1.152) 3.584 4.377 ( -6.961 1.483 4.649) 8.501 4.423 ( -0.650 4.743 10.435) 11.481 4.460 ( 0.321 2.661 4.876) 5.564 4.706 ( 2.701 9.284 9.179) 13.332 4.931 ( 3.945 -6.215 7.823) 10.742 5.205 ( 0.985 3.819 -8.097) 9.006 5.240 ( -11.559 3.574 2.492) 12.353 5.305 ( 6.587 2.929 -7.570) 10.454 5.600 ( -3.464 2.810 -8.547) 9.641 5.697 ( 0.740 -0.313 -4.271) 4.345 5.874 ( 1.153 1.953 -9.031) 9.311 5.969 ( -0.098 -4.679 -1.220) 4.836 6.193 ( -7.218 -2.861 -4.856) 9.158 6.360 ( -1.911 1.471 5.869) 6.345 6.631 ( 2.609 11.586 -7.525) 14.060 6.714 ( 2.606 2.800 -0.464) 3.853 6.911 ( 2.809 3.918 7.304) 8.752 7.012 ( 9.315 0.388 -3.603) 9.995 7.082 ( -4.006 0.443 5.945) 7.182 7.375 ( 8.061 -5.398 -3.804) 10.420 7.459 ( 3.240 -2.093 9.879) 10.605 7.632 ( 0.023 -5.665 -2.033) 6.019 7.671 ( 6.035 -5.302 9.219) 12.228 7.921 ( -1.284 6.482 2.153) 6.949 8.040 ( -0.382 1.772 1.981) 2.685 8.195 ( -2.817 7.033 -5.925) 9.618 8.337 ( 2.788 -4.607 -4.011) 6.715 8.492 ( -5.597 2.871 -2.294) 6.695 8.729 ( -0.662 -6.885 -5.195) 8.650 8.807 ( 0.771 -0.853 -6.948) 7.042 8.960 ( 4.225 -3.113 -4.814) 7.122 9.054 ( -4.429 0.893 -5.952) 7.473 9.312 ( 4.423 0.780 -3.933) 5.971 9.396 ( 5.847 -2.044 -9.796) 11.590 9.609 ( -0.704 1.146 9.760) 9.852 10.088 ( -8.177 2.765 5.860) 10.433 10.332 ( 4.811 2.023 6.363) 8.229 10.724 ( -2.137 -2.314 6.605) 7.318 10.845 ( -5.570 -3.106 1.632) 6.583 10.974 ( 6.186 3.728 -6.881) 9.975 11.222 ( 7.659 -8.842 1.053) 11.745 11.570 ( 9.629 -8.340 -1.268) 12.802 11.755 ( -7.005 -3.766 0.258) 7.957 11.900 ( -11.187 0.389 0.562) 11.208 12.089 ( 4.032 -1.223 -5.111) 6.624 12.349 ( -4.529 -5.297 -4.287) 8.182 12.439 ( 2.158 3.267 3.735) 5.411 12.821 ( -2.765 10.713 -11.277) 15.798 12.880 ( 0.013 3.067 -7.298) 7.916 13.309 ( 4.206 -11.695 1.719) 12.547 13.564 ( 3.239 -5.638 -8.552) 10.743 13.707 ( 1.809 0.424 8.779) 8.974 14.029 ( 1.436 2.376 12.882) 13.177 14.183 ( 2.585 2.592 2.367) 4.359 14.223 ( -7.344 -2.827 -1.681) 8.047 14.618 ( -0.966 0.101 -5.399) 5.486 14.842 ( 7.491 -2.933 -0.103) 8.046 14.868 ( -5.733 -13.981 -5.865) 16.209 15.345 ( -2.376 -3.439 5.239) 6.702 15.697 ( 0.431 14.089 -6.610) 15.568 16.220 ( -4.127 -1.143 -0.116) 4.283 16.255 ( -8.001 0.475 -2.295) 8.337 16.387 ( -2.995 1.285 2.867) 4.340 16.539 ( -0.866 -0.217 -2.859) 2.996 16.731 ( 4.612 7.844 -3.408) 9.717 16.917 ( 6.843 4.248 5.561) 9.787 17.081 ( 3.748 -0.453 0.984) 3.901 24.709 ( 5.259 0.771 3.224) 6.216 24.745 ( 3.251 0.519 2.282) 4.006 24.974 ( -5.644 1.052 4.552) 7.327 25.277 ( 2.210 -0.240 11.035) 11.257 25.454 ( -2.455 -1.247 1.842) 3.313 25.561 ( -0.525 2.669 1.790) 3.256 25.806 ( -0.782 -5.614 6.516) 8.637 25.948 ( -1.750 -0.542 1.842) 2.597 27.112 ( -5.224 -1.383 3.558) 6.469 27.475 ( 0.710 0.965 4.720) 4.869 27.778 ( -0.670 -9.637 -7.711) 12.360 28.129 ( -1.166 -15.779 -12.307) 20.045 29.496 ( -0.470 -0.919 2.132) 2.369 29.988 ( 2.391 -3.211 -9.803) 10.589 30.487 ( -1.054 14.931 2.966) 15.259 30.891 ( 3.859 15.176 -6.226) 16.851 ======================= Grid point 100 (50/104) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -23.976 -1.916 18.032) 30.061 2.141 ( -12.206 -1.419 22.610) 25.733 2.455 ( -11.292 2.906 6.489) 13.344 2.740 ( 17.173 1.070 9.221) 19.522 3.002 ( 3.148 5.138 5.417) 8.102 3.247 ( 1.315 1.870 -1.547) 2.760 3.332 ( -0.219 19.714 0.873) 19.735 3.616 ( -13.391 16.078 6.714) 21.975 3.716 ( -6.631 3.374 12.633) 14.661 3.756 ( 0.808 11.568 1.389) 11.679 3.830 ( 1.304 -4.007 -3.472) 5.460 4.008 ( 1.140 0.366 6.358) 6.469 4.110 ( -2.655 -4.129 -0.109) 4.910 4.243 ( -7.112 5.333 0.687) 8.916 4.471 ( 4.327 -2.229 4.740) 6.794 4.573 ( -7.322 6.620 -5.835) 11.466 4.633 ( -0.132 4.775 5.045) 6.948 4.818 ( -8.648 5.752 10.269) 14.606 5.092 ( -2.066 -4.127 3.421) 5.745 5.307 ( -4.136 -1.606 -8.689) 9.756 5.383 ( 8.091 -6.813 -1.658) 10.707 5.487 ( 2.930 9.899 -8.768) 13.544 5.733 ( 3.243 -0.990 -5.632) 6.574 5.929 ( 8.214 4.651 -7.380) 11.982 6.015 ( 3.936 -8.423 2.900) 9.739 6.067 ( -3.834 -8.477 0.654) 9.326 6.394 ( 3.600 1.372 -0.702) 3.916 6.668 ( 3.257 12.944 -0.849) 13.374 6.737 ( 0.162 5.356 -3.273) 6.279 7.007 ( -0.023 2.258 9.812) 10.068 7.047 ( 0.068 -3.867 4.286) 5.773 7.172 ( 6.038 -5.610 4.197) 9.249 7.475 ( 0.991 -5.259 3.353) 6.315 7.555 ( -4.208 -3.350 -4.922) 7.291 7.587 ( 6.497 1.793 5.309) 8.580 7.800 ( 0.711 2.684 2.558) 3.775 7.913 ( -1.105 3.079 -1.727) 3.699 8.032 ( 0.964 -3.011 7.646) 8.274 8.149 ( -4.825 6.982 1.281) 8.583 8.269 ( -1.001 1.754 -2.228) 3.007 8.499 ( 0.969 -8.398 -3.836) 9.284 8.671 ( -1.144 -1.926 -6.896) 7.250 8.757 ( 0.761 -1.472 -4.507) 4.802 8.903 ( -3.457 2.961 -7.398) 8.686 9.044 ( 3.417 -4.480 -5.272) 7.716 9.337 ( 0.122 2.739 -2.774) 3.901 9.391 ( -0.791 0.770 -11.099) 11.154 9.702 ( 4.958 0.081 4.182) 6.487 10.010 ( -2.170 2.031 5.066) 5.873 10.460 ( 3.824 -0.323 7.750) 8.648 10.657 ( -8.116 -4.623 6.026) 11.115 10.804 ( 0.882 0.430 1.282) 1.615 11.088 ( 8.275 1.693 -5.096) 9.864 11.321 ( 1.052 -10.923 3.947) 11.661 11.466 ( -10.283 -1.231 -6.194) 12.067 11.675 ( -9.148 2.633 -1.249) 9.601 11.887 ( 8.723 -9.263 2.796) 13.027 12.135 ( 6.751 -9.548 -8.747) 14.603 12.314 ( 0.776 -3.199 1.589) 3.655 12.526 ( 5.251 6.105 3.764) 8.889 12.771 ( 3.480 10.081 -9.434) 14.238 12.805 ( -3.964 7.196 -7.774) 11.311 13.369 ( 3.013 -4.961 -3.038) 6.551 13.618 ( 4.669 -8.501 0.290) 9.703 13.810 ( 2.730 -6.762 7.532) 10.484 14.044 ( -4.886 0.879 -1.293) 5.130 14.113 ( -3.107 2.012 6.565) 7.537 14.221 ( 0.426 3.954 0.747) 4.047 14.597 ( -0.345 -10.017 -4.110) 10.833 14.694 ( -4.850 -4.033 -5.147) 8.141 14.993 ( 6.286 -5.443 -0.776) 8.351 15.228 ( -9.464 -0.618 -0.523) 9.499 15.770 ( 7.705 12.897 -3.159) 15.352 16.092 ( -6.793 -0.028 -5.336) 8.638 16.141 ( -5.751 -2.054 6.368) 8.823 16.335 ( -2.769 3.250 1.222) 4.441 16.532 ( 1.715 2.356 -3.186) 4.318 16.745 ( -0.077 7.940 -5.733) 9.794 17.029 ( 1.520 1.408 5.696) 6.061 17.166 ( 3.551 1.088 2.302) 4.370 24.768 ( -2.207 0.327 3.141) 3.853 24.829 ( 2.605 1.914 3.495) 4.761 24.917 ( -0.582 0.044 5.155) 5.188 25.338 ( 0.229 -1.173 -1.570) 1.973 25.468 ( 1.658 -2.616 7.941) 8.523 25.582 ( 0.900 0.809 4.783) 4.934 25.831 ( -0.955 -4.973 8.936) 10.271 25.936 ( -0.228 -3.076 4.083) 5.117 27.066 ( -1.536 -0.116 3.238) 3.586 27.492 ( -1.764 -0.001 2.783) 3.295 27.678 ( -4.545 -5.193 -11.203) 13.158 28.021 ( -2.940 -10.591 -9.651) 14.627 29.525 ( 1.904 -1.063 2.659) 3.439 29.964 ( 0.520 -2.924 -8.819) 9.306 30.502 ( 0.900 11.512 2.831) 11.889 30.922 ( 3.203 14.620 -7.205) 16.611 ======================= Grid point 101 (51/104) ======================= q-point: (-0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -20.735 3.071 22.981) 31.104 1.883 ( -22.992 10.391 26.394) 36.513 2.498 ( 4.349 0.041 12.090) 12.848 3.019 ( -2.985 8.527 4.714) 10.190 3.094 ( 12.004 -2.629 1.954) 12.443 3.289 ( -5.571 23.608 3.783) 24.550 3.312 ( -1.482 13.218 12.573) 18.303 3.507 ( 3.581 10.813 7.572) 13.677 3.691 ( 1.262 1.531 -1.412) 2.435 3.746 ( -2.863 12.597 12.777) 18.170 3.872 ( 2.088 0.819 4.907) 5.395 3.986 ( -2.457 -1.611 0.403) 2.965 4.137 ( 3.739 -1.209 0.084) 3.930 4.162 ( -1.755 7.220 -0.048) 7.430 4.358 ( -4.772 -0.636 -5.482) 7.296 4.579 ( -0.377 2.408 4.419) 5.047 4.667 ( -0.390 2.194 1.479) 2.674 4.830 ( -1.045 -5.590 11.866) 13.158 5.056 ( 0.456 -4.881 -8.788) 10.062 5.237 ( 0.753 2.010 7.587) 7.885 5.454 ( 2.292 -8.212 -5.073) 9.921 5.478 ( 1.412 14.915 -14.763) 21.034 5.770 ( 3.816 -0.535 -3.632) 5.295 5.998 ( -0.132 -6.939 -6.246) 9.337 6.053 ( 2.977 -5.904 2.011) 6.911 6.185 ( 11.455 -6.306 0.087) 13.077 6.479 ( 6.590 -1.760 -2.745) 7.353 6.669 ( -5.194 6.310 -3.503) 8.891 6.722 ( 2.082 8.301 -0.127) 8.559 6.993 ( -4.977 -2.838 5.641) 8.040 7.130 ( 6.850 -3.532 1.808) 7.917 7.265 ( -0.227 -3.187 10.188) 10.677 7.432 ( -4.924 -2.537 -8.877) 10.464 7.475 ( -1.886 -0.997 -3.048) 3.720 7.673 ( -0.821 6.540 1.790) 6.830 7.757 ( -4.809 3.369 3.212) 6.693 7.885 ( -0.793 -4.408 3.166) 5.485 8.001 ( -6.956 -2.788 6.304) 9.793 8.137 ( -4.779 1.236 5.964) 7.742 8.299 ( 1.967 3.710 2.466) 4.869 8.437 ( 3.200 -3.330 -4.876) 6.716 8.665 ( 3.042 0.548 -3.005) 4.311 8.804 ( 1.719 -0.674 -1.054) 2.126 8.835 ( 0.889 0.860 -6.764) 6.876 9.055 ( 1.443 -4.605 -7.013) 8.513 9.285 ( -3.820 4.437 -5.339) 7.924 9.312 ( 0.162 6.123 -8.769) 10.697 9.800 ( 4.502 -2.761 0.565) 5.311 10.056 ( 3.225 -2.255 5.413) 6.693 10.447 ( -8.366 3.541 6.855) 11.380 10.650 ( 3.690 -7.242 4.518) 9.299 10.843 ( 2.696 0.204 0.616) 2.773 11.160 ( 0.220 -1.907 -4.306) 4.715 11.222 ( -9.422 -5.069 -2.568) 11.003 11.333 ( -3.631 -7.870 0.370) 8.675 11.592 ( 1.060 4.316 1.044) 4.565 11.962 ( -0.322 -6.145 0.955) 6.227 12.293 ( 11.966 -9.029 -8.503) 17.235 12.339 ( 1.168 -4.798 -0.362) 4.951 12.648 ( -5.304 7.960 -6.846) 11.763 12.692 ( 9.314 9.914 -0.596) 13.616 12.854 ( 9.547 5.040 -8.871) 13.973 13.427 ( 4.869 1.090 1.231) 5.139 13.661 ( -2.771 -6.772 -1.991) 7.583 13.857 ( 1.358 -8.840 2.317) 9.238 13.968 ( -4.323 2.644 -1.865) 5.400 14.072 ( -0.844 -2.952 4.221) 5.220 14.242 ( -0.439 1.776 -1.458) 2.339 14.486 ( -4.522 -15.414 1.582) 16.141 14.750 ( 7.295 2.888 5.384) 9.515 15.016 ( -8.763 3.127 -4.223) 10.218 15.078 ( 0.863 -3.320 -2.626) 4.320 15.875 ( -0.320 1.263 -0.722) 1.490 15.955 ( -0.601 3.914 -5.076) 6.438 16.105 ( -1.743 0.875 7.724) 7.966 16.335 ( 1.763 2.200 3.002) 4.118 16.554 ( 2.173 5.777 -3.752) 7.223 16.689 ( -2.281 7.100 -5.401) 9.208 17.028 ( -4.535 0.403 4.863) 6.662 17.211 ( 0.131 1.153 0.689) 1.349 24.678 ( -7.021 1.315 2.569) 7.591 24.870 ( 0.029 1.826 4.143) 4.528 24.988 ( 2.922 -0.509 4.962) 5.781 25.282 ( -4.141 -3.161 -4.065) 6.608 25.540 ( 1.663 -0.808 4.678) 5.030 25.627 ( 1.308 -2.370 1.422) 3.058 25.828 ( -3.381 -1.752 5.075) 6.345 26.063 ( 8.092 -17.231 15.635) 24.634 27.086 ( 1.179 0.045 4.286) 4.445 27.375 ( -8.258 0.922 -8.734) 12.055 27.579 ( -2.084 1.528 1.291) 2.889 27.942 ( -1.052 -7.146 -6.675) 9.835 29.585 ( 3.465 1.289 0.852) 3.794 29.922 ( -0.235 -1.606 -7.931) 8.096 30.546 ( 2.615 10.929 1.122) 11.293 30.924 ( 1.195 14.175 -8.751) 16.702 ======================= Grid point 102 (52/104) ======================= q-point: (-0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -10.126 10.723 28.934) 32.476 1.663 ( -17.224 17.329 27.212) 36.572 2.647 ( 2.616 1.297 16.855) 17.106 2.880 ( -14.153 25.067 31.282) 42.512 3.153 ( 1.454 -0.311 -7.898) 8.036 3.317 ( 0.837 19.585 6.731) 20.726 3.462 ( 5.940 5.733 11.391) 14.068 3.647 ( 7.721 0.683 2.502) 8.145 3.774 ( 4.549 -3.760 -0.333) 5.911 3.850 ( 5.194 9.230 16.594) 19.686 3.925 ( 1.934 0.205 4.048) 4.491 4.000 ( 1.250 2.924 4.124) 5.208 4.111 ( 0.047 0.260 -2.076) 2.093 4.211 ( 1.699 4.432 -1.850) 5.095 4.343 ( 6.741 2.050 -4.739) 8.492 4.474 ( -9.311 5.185 2.301) 10.903 4.695 ( -1.813 -4.671 5.022) 7.094 4.780 ( -6.312 -6.320 1.802) 9.112 5.067 ( 3.672 -4.432 -4.333) 7.205 5.282 ( -6.367 9.015 6.852) 12.991 5.389 ( -0.293 12.474 -16.813) 20.937 5.576 ( 15.585 -8.841 -2.587) 18.104 5.819 ( 1.882 -3.245 -0.207) 3.757 5.958 ( -0.200 -5.184 -2.530) 5.772 6.126 ( 3.893 -10.151 2.293) 11.111 6.319 ( 4.578 0.972 -11.581) 12.491 6.517 ( -5.057 5.648 -2.942) 8.132 6.620 ( 7.064 -1.366 -5.393) 8.992 6.719 ( -2.442 -3.786 -1.855) 4.872 6.915 ( -4.341 -0.226 1.393) 4.565 7.231 ( -6.553 -2.276 -2.632) 7.419 7.246 ( -5.096 3.169 1.755) 6.253 7.346 ( 9.407 -1.426 1.533) 9.638 7.452 ( 0.997 0.405 -0.861) 1.379 7.625 ( -9.395 -2.669 -3.154) 10.263 7.660 ( -1.823 8.529 3.993) 9.593 7.741 ( -14.387 -0.079 0.588) 14.399 7.982 ( -5.763 5.830 0.885) 8.245 8.044 ( 4.923 -5.457 5.018) 8.900 8.390 ( 1.532 -1.841 7.111) 7.503 8.561 ( 7.648 2.527 1.839) 8.262 8.745 ( 6.016 -2.193 0.271) 6.409 8.781 ( -4.973 -0.768 -1.225) 5.179 8.812 ( 1.862 -2.220 -4.916) 5.706 9.047 ( 2.076 -1.739 -7.282) 7.769 9.222 ( -0.697 6.242 -0.241) 6.285 9.281 ( 2.472 4.786 -11.523) 12.720 9.880 ( 3.716 -6.139 -1.871) 7.416 10.124 ( -1.150 -4.816 5.806) 7.631 10.373 ( -1.180 6.076 5.433) 8.236 10.711 ( 0.640 -5.250 2.190) 5.725 10.913 ( 4.560 -1.062 -5.249) 7.034 11.029 ( -5.748 -5.116 -3.839) 8.599 11.120 ( -5.337 -1.083 4.011) 6.763 11.240 ( -7.626 -10.685 2.840) 13.431 11.664 ( 5.208 4.136 -2.299) 7.036 11.945 ( -0.516 0.167 1.907) 1.983 12.335 ( -1.053 -3.090 -1.517) 3.600 12.376 ( 0.412 4.171 -9.766) 10.628 12.561 ( 3.461 2.742 -4.796) 6.519 12.866 ( 7.764 2.760 -9.382) 12.487 13.021 ( 12.708 -2.740 -3.909) 13.575 13.462 ( -5.571 -3.976 -11.488) 13.372 13.613 ( 3.876 6.613 4.241) 8.761 13.756 ( -8.475 3.093 -3.541) 9.692 13.984 ( 3.200 -9.333 5.772) 11.430 14.088 ( -11.365 -8.578 -2.972) 14.546 14.170 ( 5.746 -3.014 4.581) 7.943 14.524 ( 2.000 -7.142 6.354) 9.767 14.826 ( -6.917 2.442 -1.484) 7.484 14.965 ( 7.100 -4.109 -2.432) 8.556 15.125 ( 9.470 7.319 10.700) 16.054 15.713 ( -9.535 -6.069 -2.972) 11.687 16.064 ( 7.506 2.425 1.478) 8.025 16.154 ( 2.744 3.594 6.168) 7.648 16.411 ( 3.668 2.541 3.741) 5.823 16.553 ( 0.426 11.023 -7.263) 13.207 16.628 ( -1.675 2.017 -1.845) 3.206 16.929 ( -7.869 1.172 3.564) 8.717 17.175 ( -3.610 -0.682 -1.272) 3.888 24.578 ( -4.479 1.624 2.157) 5.230 24.858 ( -3.585 0.656 0.695) 3.710 25.048 ( 0.763 -0.118 4.554) 4.619 25.167 ( -6.202 -3.362 2.111) 7.364 25.576 ( -0.233 -0.285 3.710) 3.728 25.638 ( 0.139 -2.065 -1.656) 2.651 25.789 ( -2.858 -1.719 4.067) 5.260 26.223 ( -2.476 -26.154 5.812) 26.906 27.161 ( 4.740 -2.808 8.315) 9.975 27.279 ( 2.429 3.812 1.131) 4.659 27.580 ( 1.118 -0.911 4.743) 4.957 27.914 ( 1.735 -3.442 -5.656) 6.845 29.652 ( 3.339 2.513 -2.414) 4.826 29.882 ( 0.963 0.814 -7.858) 7.958 30.601 ( 3.135 14.804 -2.613) 15.356 30.867 ( -2.265 14.106 -8.163) 16.454 ======================= Grid point 103 (53/104) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -17.549 23.650 17.190) 34.099 2.016 ( 8.920 25.330 17.480) 32.043 2.859 ( 4.092 6.564 7.062) 10.474 3.105 ( -0.152 -0.070 -2.133) 2.139 3.194 ( -8.578 -1.190 6.354) 10.742 3.553 ( -0.281 0.002 2.699) 2.714 3.574 ( 0.435 -12.061 -3.244) 12.497 3.636 ( -6.314 0.717 -2.332) 6.769 3.795 ( 3.898 -6.248 0.066) 7.365 3.950 ( -7.159 12.671 12.226) 19.007 4.098 ( -1.729 2.067 13.892) 14.151 4.160 ( -6.525 5.818 -3.369) 9.369 4.197 ( 1.967 7.189 -8.350) 11.193 4.310 ( -4.946 9.190 6.725) 12.415 4.492 ( -4.460 3.005 1.420) 5.562 4.600 ( 7.559 5.796 14.859) 17.650 4.698 ( 1.994 3.431 1.170) 4.137 4.723 ( 2.216 12.235 5.236) 13.491 5.104 ( 5.310 2.319 4.063) 7.076 5.241 ( -5.412 3.052 2.944) 6.875 5.399 ( -2.069 -7.363 -1.810) 7.859 5.620 ( 2.248 -1.731 -2.612) 3.857 5.913 ( 7.548 2.141 1.654) 8.019 5.931 ( 5.452 1.190 -1.702) 5.834 6.142 ( 8.624 0.737 1.758) 8.832 6.294 ( -3.559 0.621 -7.229) 8.082 6.400 ( -4.053 -5.219 0.347) 6.617 6.579 ( 1.924 -1.050 -2.685) 3.467 6.779 ( 1.076 7.854 -7.524) 10.929 6.800 ( -5.843 -12.797 10.379) 17.482 7.012 ( 2.409 2.632 -3.284) 4.849 7.216 ( 0.224 1.311 -13.702) 13.766 7.350 ( -11.798 0.441 -3.805) 12.405 7.486 ( 2.649 -2.470 6.105) 7.098 7.530 ( -4.376 5.282 2.198) 7.203 7.664 ( -2.647 3.579 6.705) 8.048 7.820 ( -2.670 1.510 2.383) 3.884 8.048 ( 7.332 0.070 -1.064) 7.409 8.172 ( 9.596 4.892 1.788) 10.919 8.430 ( 0.959 1.447 4.983) 5.277 8.459 ( -4.829 -6.550 -3.046) 8.689 8.600 ( -0.083 -9.758 -8.770) 13.121 8.775 ( 1.559 1.944 -3.211) 4.065 8.879 ( 2.272 -0.298 -2.222) 3.192 9.091 ( 3.263 1.595 -0.117) 3.634 9.258 ( 1.733 -0.382 -14.473) 14.581 9.372 ( -0.083 4.019 -4.985) 6.404 9.683 ( -5.244 -8.177 2.853) 10.124 10.094 ( -0.588 1.020 9.654) 9.725 10.493 ( 1.260 -1.156 6.508) 6.728 10.563 ( -4.827 -4.859 3.535) 7.708 10.921 ( 1.789 0.730 -5.741) 6.057 10.928 ( -3.304 -4.597 3.676) 6.750 10.996 ( 0.654 -3.026 -3.041) 4.340 11.126 ( 3.860 7.854 -4.724) 9.945 11.805 ( 1.682 2.501 -3.127) 4.343 12.044 ( 0.332 -1.821 3.180) 3.679 12.161 ( 2.165 -3.823 -2.876) 5.251 12.379 ( 0.671 -4.096 -7.875) 8.902 12.665 ( -6.868 6.823 -4.185) 10.547 12.779 ( 3.667 -9.401 -7.099) 12.337 13.056 ( -4.270 -2.121 -7.468) 8.860 13.235 ( -2.253 -2.175 -9.117) 9.639 13.551 ( -4.710 -5.701 -9.287) 11.872 13.752 ( -2.934 -1.170 7.763) 8.381 13.876 ( 0.417 0.547 8.166) 8.195 13.991 ( 5.639 0.838 6.868) 8.926 14.303 ( 5.002 0.392 4.607) 6.811 14.488 ( 4.998 -3.596 1.954) 6.460 14.751 ( -5.005 -5.048 -2.642) 7.584 14.822 ( -1.587 3.684 2.031) 4.496 15.423 ( -6.370 -7.044 1.307) 9.587 15.678 ( 14.264 8.920 10.114) 19.630 16.135 ( 5.229 -4.615 2.313) 7.348 16.363 ( 5.016 5.027 4.191) 8.246 16.535 ( -9.761 2.681 -2.415) 10.406 16.598 ( -2.873 0.748 -4.004) 4.985 16.695 ( 8.589 6.926 -2.985) 11.430 16.893 ( -3.225 2.074 -2.629) 4.649 17.004 ( -3.354 -4.985 -1.378) 6.164 24.597 ( -0.032 2.778 1.651) 3.231 24.735 ( -4.815 -1.117 0.047) 4.943 25.072 ( -0.670 0.633 5.244) 5.324 25.121 ( 0.454 -0.262 9.001) 9.016 25.534 ( -2.174 -2.263 3.148) 4.444 25.589 ( -0.420 -3.002 1.647) 3.450 25.721 ( -1.717 -0.167 2.484) 3.025 25.925 ( 0.030 -5.765 3.378) 6.682 27.169 ( -0.632 -2.627 5.270) 5.923 27.403 ( 0.983 -3.138 -1.211) 3.505 27.451 ( 0.108 -1.639 2.805) 3.250 27.871 ( 2.383 -6.139 -4.339) 7.887 29.638 ( -2.381 0.400 -0.609) 2.490 29.837 ( 2.216 -5.235 -2.865) 6.366 31.031 ( 1.666 15.864 -11.990) 19.955 31.067 ( 2.465 10.628 -5.513) 12.224 ======================= Grid point 104 (54/104) ======================= q-point: ( 0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -8.033 13.991 21.583) 26.946 2.305 ( 10.990 22.117 15.025) 28.908 2.864 ( -18.907 -8.621 0.835) 20.797 2.970 ( 2.072 4.868 5.115) 7.359 3.146 ( -3.225 5.404 0.159) 6.295 3.426 ( -12.835 1.019 0.937) 12.910 3.491 ( -4.378 -1.094 4.249) 6.198 3.574 ( -3.065 -10.087 -4.102) 11.312 3.799 ( -3.880 -2.190 -3.140) 5.451 3.906 ( 0.504 -0.108 9.259) 9.273 4.072 ( -1.296 0.766 -4.336) 4.590 4.113 ( -1.695 11.683 -0.838) 11.835 4.203 ( -1.980 -5.238 5.933) 8.159 4.286 ( 1.576 4.016 1.442) 4.549 4.457 ( -0.550 2.997 7.418) 8.019 4.657 ( -6.340 8.164 12.370) 16.121 4.809 ( 3.963 5.613 3.068) 7.524 4.832 ( 3.473 15.404 9.104) 18.227 5.166 ( -1.167 -3.064 5.634) 6.519 5.221 ( 1.300 4.565 9.220) 10.370 5.401 ( 3.885 -1.429 -6.245) 7.493 5.644 ( 1.912 0.389 -0.251) 1.968 5.863 ( -0.530 7.215 -9.550) 11.981 6.042 ( -8.492 0.501 3.217) 9.094 6.142 ( -4.980 3.305 -5.463) 8.097 6.290 ( 10.319 8.023 -3.752) 13.599 6.414 ( -3.135 -2.393 6.699) 7.774 6.634 ( 0.878 0.483 -2.346) 2.551 6.748 ( 6.152 -0.520 -0.696) 6.213 6.849 ( 4.801 -2.475 2.258) 5.854 7.074 ( -0.373 7.119 -8.693) 11.243 7.139 ( -3.289 -0.869 1.972) 3.932 7.170 ( 4.336 -2.451 -10.457) 11.582 7.398 ( -6.490 0.697 4.433) 7.891 7.487 ( -4.647 4.647 3.610) 7.498 7.699 ( -2.520 1.683 -1.189) 3.255 7.839 ( 5.554 -5.514 11.448) 13.867 8.110 ( 1.456 8.449 0.991) 8.631 8.273 ( -6.092 -1.532 -4.785) 7.897 8.432 ( 5.038 0.204 -0.828) 5.110 8.503 ( 2.915 -10.492 0.783) 10.917 8.584 ( 6.534 0.602 -7.819) 10.208 8.775 ( 0.082 -1.720 -4.246) 4.581 8.871 ( -2.177 -0.930 -4.891) 5.434 9.148 ( 2.277 4.206 -4.255) 6.401 9.202 ( 1.748 -6.446 -7.933) 10.370 9.371 ( 1.759 1.185 -6.270) 6.619 9.589 ( -4.686 -5.386 4.180) 8.273 10.146 ( -0.319 2.024 10.616) 10.812 10.450 ( -5.347 5.136 1.738) 7.615 10.588 ( 1.169 -8.470 10.521) 13.557 10.829 ( -5.381 -4.447 3.802) 7.949 10.984 ( 5.759 1.143 -5.929) 8.345 11.071 ( 7.120 1.481 -5.635) 9.200 11.196 ( 7.533 1.573 -5.320) 9.355 11.782 ( -3.797 -6.405 -0.984) 7.510 11.985 ( -3.958 -0.345 0.121) 3.975 12.157 ( -5.034 -0.718 -7.339) 8.928 12.366 ( 0.420 -5.608 0.632) 5.659 12.493 ( -5.215 3.087 -5.238) 8.010 12.834 ( 3.646 -8.637 -2.919) 9.819 12.948 ( -2.987 -4.692 -2.080) 5.938 13.156 ( -0.715 3.662 -7.119) 8.037 13.457 ( -0.230 -5.685 -9.655) 11.207 13.732 ( -3.605 1.052 6.824) 7.789 13.934 ( 0.459 -2.353 10.150) 10.429 14.128 ( 5.529 2.464 5.799) 8.383 14.354 ( -2.601 3.500 1.963) 4.782 14.557 ( 5.160 -4.758 -2.311) 7.389 14.641 ( -4.295 -5.570 -6.013) 9.253 14.872 ( 0.433 2.749 7.988) 8.458 15.297 ( -4.494 -3.698 -0.472) 5.839 15.919 ( 4.658 7.568 4.556) 9.987 16.263 ( 5.915 -2.272 0.127) 6.337 16.328 ( -6.933 2.395 -0.864) 7.386 16.480 ( -3.207 -0.537 -4.293) 5.386 16.503 ( 0.727 0.763 4.106) 4.239 16.786 ( -0.439 1.409 -2.711) 3.087 16.886 ( 8.470 4.651 -0.092) 9.663 17.014 ( 3.986 0.141 -3.892) 5.573 24.638 ( 3.095 1.894 2.246) 4.268 24.702 ( 0.741 0.058 1.194) 1.407 25.068 ( -2.496 2.192 4.135) 5.304 25.188 ( 0.941 -0.046 10.751) 10.792 25.495 ( -3.170 -0.779 1.690) 3.676 25.586 ( -0.736 -2.908 1.427) 3.321 25.708 ( -1.188 -0.112 3.185) 3.402 25.931 ( -0.728 -3.399 1.570) 3.814 27.145 ( -4.005 -2.148 3.518) 5.747 27.448 ( 3.715 -8.563 0.103) 9.334 27.486 ( 1.168 -2.263 4.247) 4.952 27.876 ( 1.225 -9.192 -7.375) 11.848 29.573 ( -3.860 2.507 0.228) 4.608 29.851 ( 0.836 -6.542 -2.860) 7.189 30.952 ( -2.059 17.323 -7.636) 19.043 31.118 ( 4.540 10.307 -7.507) 13.535 ======================= Grid point 105 (55/104) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 4.305 3.466 24.167) 24.791 2.400 ( -18.428 2.985 7.455) 20.102 2.576 ( -1.338 0.492 4.359) 4.587 2.915 ( -14.214 6.945 2.872) 16.079 3.079 ( -0.374 9.935 10.228) 14.263 3.297 ( 0.842 0.930 -4.424) 4.599 3.498 ( -1.815 -10.627 -1.455) 10.879 3.512 ( 2.991 1.441 6.368) 7.181 3.713 ( -6.257 -4.386 -1.190) 7.733 3.948 ( -2.660 3.793 -0.296) 4.643 4.002 ( 1.777 4.201 6.208) 7.703 4.082 ( 3.800 4.714 -4.051) 7.285 4.233 ( 0.832 6.681 2.605) 7.220 4.388 ( 0.658 -0.294 5.232) 5.281 4.448 ( -1.787 -1.808 1.259) 2.837 4.595 ( -5.317 12.555 15.569) 20.695 4.823 ( -0.997 -3.255 -1.784) 3.843 4.989 ( 5.445 15.486 16.325) 23.151 5.152 ( -1.451 -5.230 -3.057) 6.229 5.320 ( -8.493 3.061 -2.618) 9.400 5.366 ( 5.497 5.363 3.718) 8.532 5.685 ( -5.926 1.014 1.256) 6.143 5.742 ( -6.902 6.424 -5.662) 10.998 5.877 ( -0.574 4.291 -2.907) 5.215 6.066 ( -1.650 4.051 -2.807) 5.197 6.217 ( -8.949 6.859 -3.995) 11.962 6.439 ( 0.681 4.761 1.768) 5.124 6.707 ( 6.621 0.593 -1.781) 6.882 6.863 ( 0.253 -3.312 -2.148) 3.956 6.904 ( 1.882 6.663 0.817) 6.972 7.013 ( 3.568 -1.772 -3.891) 5.569 7.164 ( 0.327 5.768 3.254) 6.631 7.262 ( 6.557 -5.203 -5.417) 9.970 7.385 ( 3.050 -6.747 3.433) 8.161 7.495 ( 2.347 -1.346 12.834) 13.116 7.637 ( -1.223 1.490 -0.889) 2.122 8.033 ( 8.031 -9.161 4.626) 13.032 8.103 ( -6.849 4.042 -4.226) 9.006 8.147 ( 1.523 9.718 1.495) 9.949 8.466 ( -1.385 5.249 -3.161) 6.282 8.513 ( -2.031 -9.527 -7.862) 12.518 8.573 ( -2.449 1.327 -1.103) 2.996 8.791 ( -1.391 0.680 -7.251) 7.415 8.813 ( 5.777 -9.155 -3.341) 11.329 9.046 ( -5.693 -2.220 -9.148) 11.001 9.306 ( 6.671 -2.870 -0.194) 7.265 9.380 ( 4.121 1.746 -7.504) 8.737 9.592 ( 0.991 -3.266 5.968) 6.875 10.144 ( -6.155 3.059 10.126) 12.238 10.403 ( -0.425 2.894 2.612) 3.922 10.644 ( -3.352 -4.712 13.358) 14.556 10.772 ( -1.232 -2.927 0.775) 3.268 11.074 ( 6.080 2.374 -3.910) 7.609 11.136 ( 4.609 4.979 -7.161) 9.865 11.395 ( 15.183 -7.342 -4.916) 17.567 11.668 ( -7.149 -5.192 0.305) 8.840 11.884 ( -10.634 -2.465 -1.215) 10.983 11.965 ( -3.580 -6.865 -12.516) 14.717 12.313 ( -2.598 -0.412 -1.064) 2.837 12.525 ( 4.597 3.964 5.159) 7.967 12.838 ( -1.523 -9.427 -1.993) 9.755 12.942 ( 2.379 1.852 -1.494) 3.364 13.162 ( 3.426 -0.494 -0.505) 3.498 13.421 ( 1.461 -6.570 -9.436) 11.591 13.708 ( -2.169 0.282 5.844) 6.240 13.990 ( -0.387 -6.814 9.272) 11.513 14.222 ( -0.912 4.002 4.839) 6.346 14.284 ( -1.337 5.469 -1.501) 5.827 14.529 ( -3.835 -3.719 -8.308) 9.877 14.661 ( 4.549 -7.954 0.053) 9.163 14.860 ( -1.536 3.386 0.087) 3.719 15.242 ( -4.505 -6.543 4.610) 9.184 15.977 ( 3.651 12.730 -3.178) 13.619 16.177 ( -6.267 -1.057 -0.936) 6.424 16.273 ( -7.446 -0.006 -1.649) 7.626 16.448 ( 1.677 2.174 2.633) 3.804 16.535 ( 1.063 0.722 -1.469) 1.952 16.806 ( 2.924 -0.711 -0.551) 3.059 17.044 ( 6.413 6.096 -3.177) 9.401 17.084 ( 6.127 1.217 -0.463) 6.264 24.723 ( 4.082 0.590 2.881) 5.031 24.754 ( 3.135 0.129 3.106) 4.415 25.022 ( -4.378 3.665 2.874) 6.392 25.260 ( 0.817 -1.367 9.483) 9.616 25.443 ( -3.035 -0.142 1.324) 3.315 25.578 ( -1.020 -2.736 1.709) 3.383 25.712 ( -0.496 -0.840 4.083) 4.198 25.917 ( -1.366 -2.525 0.627) 2.938 27.093 ( -2.735 0.123 2.804) 3.919 27.502 ( 1.239 -0.134 1.715) 2.120 27.531 ( 0.926 -10.771 3.959) 11.512 27.839 ( 0.012 -10.988 -10.152) 14.960 29.522 ( -1.778 2.917 1.681) 3.807 29.840 ( -0.117 -7.414 -3.235) 8.090 30.892 ( -0.710 18.217 -5.259) 18.974 31.150 ( 3.365 9.065 -7.784) 12.413 ======================= Grid point 106 (56/104) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -15.211 5.848 18.147) 24.391 2.136 ( -2.293 0.824 17.609) 17.777 2.569 ( -10.097 5.958 8.979) 14.767 2.783 ( 7.641 3.074 4.677) 9.472 3.160 ( -1.221 7.758 7.092) 10.582 3.300 ( 3.242 2.597 -5.724) 7.072 3.456 ( -0.654 -9.616 1.787) 9.802 3.603 ( 5.817 -0.345 2.246) 6.245 3.744 ( 8.322 3.746 0.998) 9.181 3.932 ( -0.724 2.536 2.438) 3.591 4.087 ( 3.708 9.031 5.144) 11.035 4.158 ( -3.064 6.031 4.191) 7.958 4.258 ( 0.686 7.640 2.509) 8.071 4.310 ( 1.374 10.507 -3.088) 11.038 4.469 ( -1.572 3.890 6.857) 8.039 4.651 ( 1.573 3.797 12.350) 13.016 4.735 ( -10.788 2.841 -8.627) 14.103 4.947 ( -8.308 3.625 -2.910) 9.520 5.114 ( -12.093 6.047 11.386) 17.676 5.168 ( -0.010 -3.647 -5.311) 6.443 5.367 ( -4.347 9.297 3.093) 10.719 5.595 ( 4.928 -3.469 6.478) 8.848 5.726 ( -0.336 -2.570 -5.401) 5.990 5.890 ( 2.234 -1.372 -2.022) 3.311 6.010 ( -4.228 7.701 -2.433) 9.115 6.109 ( 1.509 7.218 -4.446) 8.611 6.433 ( 0.208 1.797 -2.416) 3.018 6.760 ( 0.022 -2.990 -3.743) 4.790 6.810 ( -2.997 -5.376 -0.656) 6.190 6.958 ( 1.159 1.290 3.676) 4.065 7.046 ( 0.164 3.660 4.941) 6.152 7.225 ( 6.376 6.410 -3.628) 9.742 7.333 ( 2.058 -7.826 0.715) 8.123 7.430 ( 0.212 -6.786 -2.192) 7.134 7.623 ( 3.757 0.804 5.996) 7.121 7.717 ( 5.447 -4.600 10.571) 12.751 7.966 ( -3.674 2.702 -3.563) 5.787 8.158 ( -4.228 4.481 -5.417) 8.204 8.189 ( 3.394 -2.315 -0.402) 4.128 8.260 ( -6.348 2.756 1.095) 7.006 8.435 ( -4.198 -2.065 -6.171) 7.744 8.613 ( 4.299 -2.311 1.672) 5.159 8.770 ( 2.929 3.136 -6.445) 7.743 8.901 ( 4.166 -6.897 -3.347) 8.725 8.916 ( -1.563 -0.979 -8.318) 8.520 9.384 ( 1.624 -1.624 -2.960) 3.746 9.426 ( 4.347 3.988 -4.962) 7.709 9.643 ( 0.838 -5.327 5.316) 7.573 10.069 ( -5.640 3.706 7.420) 10.030 10.438 ( 0.688 -3.353 7.247) 8.014 10.595 ( -6.365 0.032 8.601) 10.700 10.795 ( 1.946 -0.991 0.387) 2.218 11.152 ( 0.069 -3.264 -3.763) 4.982 11.156 ( 3.646 5.097 -4.838) 7.917 11.472 ( -5.860 1.021 -8.199) 10.129 11.643 ( -5.803 -5.662 0.715) 8.139 11.739 ( 12.995 -6.323 -3.466) 14.862 11.916 ( 1.117 -8.394 -5.541) 10.120 12.307 ( 1.051 1.532 2.810) 3.369 12.647 ( 6.179 5.594 3.144) 8.908 12.820 ( 1.825 -5.219 -4.066) 6.863 12.947 ( -0.361 5.451 -4.947) 7.369 13.250 ( 4.347 -6.500 3.228) 8.460 13.422 ( 2.946 -9.214 -3.437) 10.266 13.714 ( -0.300 -0.978 4.708) 4.818 13.994 ( -2.853 -7.391 3.897) 8.830 14.171 ( -4.766 4.448 3.408) 7.356 14.287 ( 0.281 1.987 -1.027) 2.254 14.396 ( -5.977 -2.324 -9.573) 11.523 14.695 ( 0.877 -3.651 -0.171) 3.758 14.902 ( 5.167 -0.486 0.979) 5.281 15.165 ( -5.616 -4.464 3.200) 7.855 15.990 ( -3.407 4.350 -4.062) 6.858 16.068 ( -3.815 1.021 -4.684) 6.127 16.173 ( -1.303 4.973 6.332) 8.156 16.435 ( -1.658 3.590 -0.868) 4.048 16.586 ( 3.885 4.223 -1.403) 5.907 16.833 ( 0.546 0.008 -3.156) 3.203 17.083 ( -0.012 3.076 -0.171) 3.081 17.200 ( 4.678 1.796 -0.938) 5.098 24.778 ( -1.045 0.593 3.985) 4.162 24.849 ( 4.255 -0.582 4.920) 6.530 24.953 ( -3.293 3.787 1.990) 5.399 25.281 ( -2.810 -4.445 0.631) 5.297 25.426 ( 0.001 -0.812 6.649) 6.699 25.570 ( -0.883 -2.887 2.573) 3.967 25.731 ( -0.119 -1.711 5.191) 5.467 25.888 ( -1.903 -2.381 0.334) 3.067 27.083 ( -0.130 2.308 3.545) 4.232 27.505 ( -1.871 0.836 -0.512) 2.113 27.543 ( -1.635 -7.402 3.684) 8.428 27.793 ( 1.219 -9.886 -8.737) 13.250 29.531 ( 1.466 1.644 2.354) 3.223 29.820 ( 0.034 -7.404 -3.725) 8.288 30.872 ( 1.317 17.920 -4.363) 18.490 31.165 ( 2.834 8.180 -8.450) 12.097 ======================= Grid point 107 (57/104) ======================= q-point: (-0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -9.471 15.981 19.786) 27.140 2.161 ( -9.453 14.769 27.086) 32.267 2.560 ( 5.053 3.948 8.018) 10.267 2.985 ( 5.017 -6.029 -0.696) 7.874 3.212 ( 10.432 10.028 4.772) 15.237 3.371 ( 4.696 -3.261 -0.188) 5.720 3.518 ( 3.783 -5.664 -1.788) 7.042 3.736 ( 5.152 1.145 3.387) 6.271 3.824 ( -1.761 17.081 -0.999) 17.200 3.928 ( -2.739 -0.570 -2.506) 3.756 4.024 ( -3.988 4.493 4.702) 7.629 4.158 ( -0.681 10.958 6.568) 12.793 4.267 ( -2.292 23.770 1.842) 23.951 4.365 ( -6.878 10.020 8.534) 14.850 4.437 ( -0.896 9.304 2.306) 9.628 4.544 ( 3.157 2.284 -0.685) 3.956 4.721 ( -0.833 -1.960 10.826) 11.033 4.853 ( -10.189 9.949 6.355) 15.594 4.971 ( -0.057 -3.461 -8.116) 8.823 5.122 ( 4.961 -8.238 -2.983) 10.068 5.407 ( 0.591 3.338 5.228) 6.231 5.647 ( -4.544 -11.066 2.089) 12.144 5.700 ( 0.889 -10.599 0.597) 10.653 5.911 ( -0.041 8.740 -4.221) 9.706 5.947 ( 1.650 5.095 -3.271) 6.275 6.193 ( 8.791 2.355 -4.657) 10.223 6.463 ( 4.530 0.630 -2.093) 5.030 6.711 ( -4.006 -5.397 0.303) 6.728 6.731 ( -3.341 -7.879 -4.442) 9.642 6.973 ( -1.482 -0.085 7.631) 7.774 7.104 ( 3.047 2.771 4.837) 6.353 7.256 ( -7.579 0.995 4.899) 9.080 7.389 ( 6.684 0.140 -9.167) 11.346 7.416 ( 4.279 -5.052 -9.142) 11.287 7.681 ( -3.065 -0.893 3.677) 4.869 7.785 ( -3.196 -5.478 8.133) 10.313 7.895 ( -8.512 4.924 -1.484) 9.945 7.922 ( -3.736 2.262 1.051) 4.492 8.214 ( -3.256 2.213 -4.293) 5.825 8.293 ( 5.004 -7.637 1.642) 9.277 8.408 ( 4.024 2.869 2.109) 5.373 8.680 ( 0.739 -1.461 -1.146) 1.999 8.799 ( 3.163 1.453 -6.389) 7.276 8.848 ( 0.449 -0.457 -7.773) 7.799 8.979 ( 3.942 0.157 -1.498) 4.220 9.337 ( -1.433 0.692 -8.984) 9.124 9.468 ( 0.749 6.435 -2.155) 6.827 9.687 ( 1.353 -7.102 4.517) 8.525 10.036 ( -2.047 1.235 7.579) 7.947 10.465 ( -3.762 -6.413 9.207) 11.834 10.565 ( 0.625 3.405 5.012) 6.091 10.827 ( 1.871 -1.306 -0.666) 2.377 11.061 ( -4.794 -2.046 -4.210) 6.700 11.182 ( -0.659 0.295 -1.487) 1.653 11.272 ( -8.568 -0.737 -8.640) 12.190 11.655 ( 5.399 0.134 1.298) 5.554 11.883 ( 1.022 -2.360 0.119) 2.574 12.018 ( 13.334 -12.243 -7.644) 19.650 12.351 ( 1.762 3.343 1.577) 4.095 12.782 ( 4.892 6.873 0.788) 8.473 12.822 ( 1.360 -3.084 -10.989) 11.494 12.934 ( 4.747 6.442 -3.964) 8.930 13.335 ( 2.473 -9.938 1.171) 10.308 13.501 ( 6.017 -10.343 4.237) 12.694 13.745 ( 1.342 1.071 3.685) 4.066 13.954 ( -3.452 -9.035 2.800) 10.069 14.036 ( -9.097 2.178 -4.610) 10.429 14.222 ( -6.579 1.789 -6.843) 9.660 14.325 ( 2.484 -1.631 5.707) 6.434 14.738 ( 4.017 -5.339 -0.193) 6.684 15.017 ( 3.243 -0.501 4.088) 5.242 15.072 ( -3.212 2.026 -0.086) 3.799 15.847 ( -9.190 -0.746 -0.502) 9.234 16.003 ( -0.708 -1.761 -0.300) 1.921 16.227 ( 1.406 8.795 4.122) 9.814 16.440 ( 3.803 5.972 -1.617) 7.263 16.633 ( 2.185 4.197 -2.512) 5.357 16.799 ( -1.675 2.022 -4.760) 5.436 17.045 ( -4.578 1.069 1.872) 5.060 17.224 ( -1.320 -0.605 -2.397) 2.802 24.718 ( -6.134 2.546 2.855) 7.229 24.912 ( -0.768 1.386 4.019) 4.320 24.972 ( 2.696 -0.738 5.056) 5.777 25.179 ( -6.282 -6.294 -2.687) 9.289 25.487 ( 1.355 -2.944 7.563) 8.228 25.574 ( -0.135 -3.011 2.492) 3.911 25.754 ( -0.832 -2.501 5.309) 5.928 25.864 ( -0.685 -3.459 1.846) 3.980 27.112 ( 0.492 2.769 4.425) 5.243 27.437 ( -2.879 4.319 -3.737) 6.396 27.520 ( -2.933 -6.343 3.412) 7.777 27.801 ( 2.919 -6.371 -4.438) 8.295 29.590 ( 3.296 0.197 1.713) 3.720 29.807 ( 0.810 -6.394 -3.919) 7.543 30.897 ( 4.032 16.937 -4.858) 18.076 31.163 ( 1.911 8.143 -9.685) 12.797 ======================= Grid point 108 (58/104) ======================= q-point: (-0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -0.018 23.134 18.262) 29.473 2.116 ( -12.220 24.577 23.819) 36.342 2.723 ( 6.207 5.455 8.566) 11.902 3.056 ( 5.615 -5.300 -3.798) 8.605 3.294 ( -6.547 4.305 7.175) 10.624 3.503 ( 4.905 -3.745 0.278) 6.177 3.535 ( 5.133 -5.112 -6.510) 9.739 3.737 ( -4.256 8.634 -3.187) 10.140 3.778 ( -1.254 -1.090 2.281) 2.822 3.957 ( 2.431 14.104 11.851) 18.582 4.022 ( -0.892 5.988 7.944) 9.988 4.204 ( 1.496 5.278 -4.982) 7.411 4.229 ( -1.744 20.262 12.948) 24.109 4.336 ( -1.392 6.266 8.960) 11.022 4.451 ( -0.406 6.929 3.560) 7.800 4.552 ( -2.220 5.146 0.012) 5.604 4.707 ( -4.674 3.432 0.932) 5.873 4.745 ( -3.841 3.737 3.189) 6.236 4.987 ( 5.392 0.604 -0.905) 5.500 5.279 ( 4.700 -7.318 0.020) 8.697 5.417 ( 0.712 -3.874 1.212) 4.121 5.588 ( 0.850 -7.820 -3.023) 8.427 5.712 ( 0.940 -2.957 8.065) 8.642 5.949 ( 4.881 2.618 -5.054) 7.498 5.965 ( 3.218 3.489 0.485) 4.771 6.304 ( 5.200 -1.357 -8.146) 9.759 6.513 ( -1.998 -6.069 -0.583) 6.416 6.628 ( -4.041 -0.347 -1.702) 4.399 6.705 ( 5.626 1.833 -6.144) 8.530 6.936 ( -10.372 -6.325 9.751) 15.578 7.090 ( -7.396 1.184 -1.095) 7.570 7.232 ( 5.349 -6.951 2.825) 9.214 7.333 ( 2.971 0.859 -10.170) 10.630 7.534 ( -1.165 1.149 4.031) 4.351 7.571 ( -2.427 4.864 -6.602) 8.551 7.742 ( -4.936 -0.913 6.330) 8.079 7.832 ( -1.556 8.443 1.424) 8.703 7.895 ( 2.533 -7.070 2.873) 8.041 8.145 ( -1.993 6.352 -2.664) 7.171 8.380 ( 1.539 -0.600 6.734) 6.933 8.496 ( 2.786 -7.218 -0.406) 7.748 8.639 ( -0.727 -6.715 -6.663) 9.488 8.792 ( -1.109 2.135 -3.362) 4.134 8.851 ( 2.881 3.198 -5.403) 6.908 9.034 ( 3.025 1.092 -0.821) 3.319 9.282 ( 1.553 1.461 -10.944) 11.150 9.431 ( -2.174 6.471 -4.855) 8.376 9.720 ( -0.728 -7.541 3.509) 8.350 10.061 ( -0.655 -0.651 8.880) 8.928 10.447 ( -1.074 -2.275 6.291) 6.776 10.605 ( -1.118 -1.681 5.297) 5.669 10.867 ( 3.520 -2.934 -3.412) 5.713 10.983 ( -1.508 1.923 -1.689) 2.971 11.080 ( -7.121 -2.578 -1.622) 7.745 11.144 ( -3.122 0.603 -3.188) 4.503 11.767 ( 4.983 4.908 -2.899) 7.571 11.930 ( 5.201 -3.089 2.297) 6.470 12.163 ( 5.108 -10.747 -7.443) 14.035 12.379 ( 2.099 1.599 -3.721) 4.562 12.735 ( -1.389 7.332 -6.118) 9.650 12.823 ( -0.652 -4.122 -7.719) 8.775 13.065 ( 7.614 4.757 -4.461) 10.025 13.317 ( -1.807 -8.701 -6.598) 11.068 13.658 ( 2.469 -9.321 -0.166) 9.643 13.794 ( -1.234 -1.943 5.330) 5.806 13.839 ( -3.480 -3.273 1.536) 5.018 13.894 ( -3.347 0.728 2.543) 4.266 14.177 ( 3.744 3.203 2.303) 5.439 14.400 ( 1.957 -4.355 5.792) 7.506 14.807 ( 2.060 -8.816 -2.793) 9.475 14.915 ( -7.035 4.826 -2.096) 8.785 15.238 ( 12.455 1.170 11.814) 17.206 15.670 ( -9.292 2.374 0.011) 9.591 16.040 ( 3.101 -4.609 3.707) 6.679 16.270 ( 2.401 7.384 3.143) 8.376 16.544 ( 7.211 7.564 -1.162) 10.515 16.639 ( 0.214 2.147 -3.752) 4.328 16.717 ( -5.153 3.201 -4.714) 7.683 16.956 ( -4.587 0.896 0.626) 4.716 17.132 ( -6.692 -3.761 -2.461) 8.061 24.628 ( -4.182 3.052 1.823) 5.489 24.857 ( -6.703 -1.418 0.225) 6.855 25.039 ( 1.100 -0.806 5.768) 5.927 25.092 ( -2.017 -2.693 4.179) 5.366 25.534 ( -0.204 -3.362 5.592) 6.528 25.585 ( -0.037 -2.973 1.564) 3.359 25.744 ( -2.125 -1.138 2.727) 3.639 25.892 ( 1.073 -6.770 4.772) 8.352 27.140 ( 0.142 0.895 4.796) 4.881 27.397 ( 0.279 6.321 -1.964) 6.625 27.473 ( -3.293 -6.965 2.184) 8.008 27.839 ( 3.013 -4.649 -2.983) 6.292 29.647 ( 1.674 -0.729 0.237) 1.841 29.812 ( 1.902 -4.990 -3.471) 6.369 30.966 ( 6.464 15.380 -6.803) 18.017 31.127 ( -0.290 9.736 -10.307) 14.181 ======================= Grid point 109 (59/104) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( -19.412 25.891 7.678) 33.259 2.547 ( 9.715 24.327 10.512) 28.225 2.931 ( -14.758 -16.710 7.838) 23.632 2.988 ( 9.024 -15.675 3.863) 18.495 3.049 ( 0.804 8.275 -3.760) 9.125 3.273 ( 2.261 -13.332 -2.312) 13.719 3.513 ( 4.131 1.546 -6.930) 8.214 3.595 ( 1.105 -4.291 -5.061) 6.727 3.802 ( -9.628 2.906 0.519) 10.070 3.890 ( -13.496 -5.698 -2.660) 14.889 4.204 ( -1.828 3.880 -0.718) 4.348 4.261 ( -7.237 0.448 -1.259) 7.360 4.402 ( -6.735 4.781 2.430) 8.610 4.426 ( -7.437 0.752 4.729) 8.845 4.653 ( 1.787 8.726 7.412) 11.587 4.714 ( 0.330 4.421 9.773) 10.731 4.772 ( 5.219 7.942 -2.360) 9.791 5.032 ( -5.942 -12.027 4.902) 14.283 5.149 ( 1.593 24.314 10.626) 26.582 5.222 ( 9.049 4.635 6.836) 12.251 5.437 ( 3.868 -8.213 0.827) 9.116 5.481 ( 3.560 -1.353 10.529) 11.197 5.921 ( 9.021 1.045 10.473) 13.862 5.991 ( 0.634 -1.407 2.536) 2.968 6.171 ( 9.857 2.208 -4.008) 10.867 6.247 ( -0.031 -3.917 -4.511) 5.974 6.324 ( 0.174 0.356 6.473) 6.485 6.487 ( 3.236 -13.900 10.572) 17.761 6.704 ( -6.409 11.578 -3.084) 13.588 6.902 ( -4.355 -1.451 -12.240) 13.072 7.031 ( 5.088 1.880 -0.257) 5.431 7.151 ( 3.353 -6.263 -11.479) 13.499 7.441 ( 6.759 5.550 0.294) 8.751 7.488 ( -11.625 6.696 6.939) 15.104 7.588 ( -6.241 -3.829 -1.174) 7.416 7.642 ( -1.402 -6.275 4.659) 7.941 7.885 ( -1.456 9.799 0.041) 9.907 8.093 ( 6.614 2.319 -2.093) 7.314 8.163 ( 3.874 -7.435 -0.392) 8.393 8.283 ( 1.710 -8.921 -1.507) 9.207 8.462 ( -0.860 7.161 -4.592) 8.550 8.586 ( 3.259 -0.131 1.327) 3.522 8.763 ( -0.619 0.824 -4.923) 5.030 8.848 ( 3.676 -3.535 -3.609) 6.247 9.147 ( -0.340 4.313 -1.743) 4.664 9.239 ( -0.780 -3.023 -5.882) 6.659 9.448 ( -2.560 3.553 -8.985) 9.996 9.535 ( -4.160 -5.341 -3.698) 7.714 10.152 ( -0.037 4.770 10.781) 11.789 10.300 ( -0.241 -9.358 9.165) 13.101 10.652 ( -3.475 6.547 2.999) 7.995 10.798 ( -3.227 -7.037 3.385) 8.449 10.921 ( 1.623 0.187 -6.021) 6.238 10.944 ( 1.431 -1.952 -4.971) 5.529 11.414 ( 5.041 17.104 -5.132) 18.555 11.759 ( 0.531 -12.924 -7.084) 14.748 11.966 ( 3.460 3.437 -1.289) 5.044 12.093 ( 5.492 -5.973 0.446) 8.127 12.365 ( -6.428 4.596 -6.804) 10.428 12.529 ( -5.441 -10.136 -6.790) 13.358 12.854 ( -4.740 7.237 -3.615) 9.376 12.984 ( -6.044 -5.046 -6.109) 9.966 13.232 ( 1.212 3.678 -4.356) 5.829 13.382 ( -1.169 -9.247 -3.834) 10.078 13.771 ( -0.451 3.405 7.400) 8.159 13.849 ( -0.049 -3.029 6.430) 7.108 14.094 ( 4.468 7.160 4.860) 9.739 14.241 ( 3.602 -6.044 4.568) 8.389 14.496 ( 4.332 4.082 -0.203) 5.956 14.615 ( 0.090 -6.658 -3.770) 7.652 14.997 ( -2.575 10.663 4.314) 11.787 15.225 ( -2.124 -10.699 4.728) 11.889 15.873 ( 8.701 8.273 7.478) 14.145 16.020 ( 6.456 -6.142 6.084) 10.790 16.470 ( 2.366 4.817 -1.868) 5.683 16.554 ( -2.793 -2.902 -4.645) 6.148 16.640 ( -9.432 6.443 -0.428) 11.431 16.790 ( -2.674 -4.399 -3.487) 6.217 16.868 ( 0.874 2.370 -2.528) 3.574 16.938 ( 3.593 -2.240 -2.293) 4.815 24.656 ( -1.142 2.639 1.577) 3.280 24.704 ( -3.018 -1.892 1.237) 3.771 25.091 ( 0.938 1.134 5.844) 6.027 25.112 ( 1.441 -0.716 7.025) 7.207 25.499 ( -1.531 -0.397 4.165) 4.455 25.524 ( -1.277 -2.513 2.823) 3.989 25.757 ( 0.038 2.882 0.329) 2.901 25.829 ( 1.018 -3.891 1.087) 4.167 27.167 ( -2.094 2.259 2.024) 3.686 27.256 ( -2.601 -6.110 -0.163) 6.642 27.564 ( 0.553 7.203 -0.652) 7.253 27.724 ( 0.452 -7.693 -2.734) 8.176 29.668 ( -0.904 2.434 1.178) 2.852 29.737 ( 0.304 -4.115 0.577) 4.167 31.229 ( 2.401 4.449 -7.454) 9.007 31.235 ( 2.866 4.222 -9.834) 11.079 ======================= Grid point 110 (60/104) ======================= q-point: ( 0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -16.246 19.959 8.296) 27.039 2.549 ( -20.523 -19.175 0.296) 28.089 2.770 ( 5.450 21.306 8.724) 23.659 3.108 ( 1.564 3.827 -2.566) 4.866 3.149 ( 2.576 -6.784 9.438) 11.905 3.273 ( -2.827 -8.485 -2.603) 9.315 3.479 ( -7.298 4.470 1.190) 8.641 3.582 ( -1.583 3.476 -0.607) 3.868 3.711 ( -0.535 -8.207 1.360) 8.336 3.757 ( 7.029 -5.835 -0.813) 9.171 4.027 ( -12.241 0.910 -4.934) 13.229 4.123 ( -8.177 -5.386 5.745) 11.352 4.313 ( -0.631 5.305 -5.713) 7.822 4.367 ( -0.795 0.311 -2.687) 2.819 4.585 ( -8.378 9.726 10.862) 16.816 4.761 ( -5.020 -3.371 5.210) 7.982 4.907 ( 4.281 6.092 5.200) 9.082 5.019 ( 2.621 -5.172 5.384) 7.912 5.244 ( 2.213 16.293 10.275) 19.388 5.388 ( 4.361 8.777 6.107) 11.548 5.423 ( -1.570 2.473 4.912) 5.719 5.620 ( 3.472 -5.639 4.338) 7.916 5.944 ( -0.999 1.670 -1.734) 2.606 6.031 ( -2.409 -4.545 3.882) 6.444 6.213 ( -4.794 8.884 3.147) 10.574 6.385 ( 6.808 -1.495 0.590) 6.995 6.463 ( 7.578 3.032 2.393) 8.505 6.607 ( 6.176 -8.998 9.425) 14.419 6.683 ( 3.791 5.705 -3.365) 7.632 6.811 ( 4.684 -2.431 -6.264) 8.191 7.089 ( -0.986 -1.506 -6.217) 6.472 7.099 ( 1.497 -2.189 -9.868) 10.218 7.286 ( -8.440 7.991 3.010) 12.006 7.402 ( -11.377 -2.402 4.287) 12.393 7.581 ( 2.062 4.772 -1.274) 5.352 7.685 ( 4.522 -4.089 1.171) 6.208 7.853 ( -2.425 9.570 1.115) 9.935 8.132 ( 1.896 -12.878 -7.032) 14.795 8.264 ( 2.015 -0.117 -0.412) 2.060 8.328 ( 7.491 -3.763 3.914) 9.252 8.402 ( -1.620 8.167 -4.328) 9.384 8.605 ( -0.783 -7.857 -0.944) 7.952 8.782 ( 0.607 6.686 -2.826) 7.284 8.867 ( -1.424 -1.227 -7.120) 7.364 9.119 ( -0.217 0.559 -6.658) 6.685 9.200 ( -0.159 -2.529 0.031) 2.534 9.383 ( 1.467 1.722 -7.847) 8.167 9.462 ( -0.762 -5.206 -1.592) 5.497 10.217 ( -0.150 4.911 12.198) 13.151 10.355 ( -0.731 -8.261 11.357) 14.063 10.611 ( -1.374 5.870 2.628) 6.577 10.730 ( -3.878 -5.242 2.354) 6.932 10.998 ( 8.657 0.360 -7.778) 11.644 11.020 ( 9.917 -2.279 -5.963) 11.794 11.417 ( -0.768 13.099 -6.730) 14.746 11.642 ( -6.226 -7.975 -6.479) 12.014 11.984 ( -3.831 3.091 0.795) 4.986 12.126 ( -8.844 -6.374 -7.972) 13.505 12.265 ( 4.109 0.858 2.168) 4.725 12.398 ( -1.712 -9.437 -6.655) 11.674 12.780 ( -2.667 4.059 1.813) 5.184 12.880 ( -2.583 -4.161 1.306) 5.068 13.229 ( 0.986 4.720 -6.000) 7.698 13.346 ( 0.083 -5.603 -6.114) 8.294 13.765 ( -3.523 2.726 6.761) 8.096 13.847 ( -3.181 -4.711 7.595) 9.486 14.223 ( 5.631 5.986 4.314) 9.281 14.349 ( 4.430 -5.045 4.754) 8.227 14.519 ( 0.134 2.153 -5.918) 6.299 14.574 ( -1.223 -2.514 -6.120) 6.728 14.987 ( -2.898 7.747 6.749) 10.675 15.163 ( -5.566 -8.264 3.138) 10.446 16.082 ( 8.111 7.038 4.411) 11.609 16.197 ( 8.065 -4.105 3.359) 9.653 16.396 ( -8.128 3.369 -2.312) 9.097 16.454 ( -5.882 -2.137 -2.823) 6.866 16.554 ( 0.912 5.113 1.035) 5.296 16.698 ( -1.252 -7.265 -1.206) 7.470 16.985 ( 9.074 3.697 -3.286) 10.335 17.025 ( 6.963 -0.225 -4.414) 8.248 24.674 ( 1.828 1.433 2.069) 3.111 24.697 ( 1.127 -0.692 1.817) 2.247 25.126 ( -0.311 3.040 4.659) 5.572 25.175 ( 1.008 -1.396 7.422) 7.619 25.481 ( -2.478 -0.173 3.075) 3.953 25.508 ( -2.001 -2.974 3.109) 4.746 25.760 ( 0.036 3.764 0.122) 3.766 25.847 ( 0.377 -4.340 0.452) 4.380 27.141 ( -1.735 2.124 2.161) 3.492 27.239 ( 0.648 -7.328 1.470) 7.502 27.567 ( -0.076 5.488 0.014) 5.488 27.703 ( -0.750 -7.442 -3.692) 8.341 29.640 ( -2.509 3.812 1.285) 4.741 29.731 ( -1.158 -4.954 0.503) 5.112 31.204 ( 0.700 7.004 -8.300) 10.882 31.253 ( 2.905 2.223 -8.294) 9.065 ======================= Grid point 111 (61/104) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -2.523 10.280 14.512) 17.962 2.260 ( -12.676 -12.097 7.577) 19.090 2.742 ( -7.465 12.552 3.014) 14.911 2.982 ( -12.675 -5.715 4.275) 14.546 3.199 ( -0.439 -0.342 4.520) 4.554 3.256 ( -1.581 -1.208 -1.689) 2.610 3.447 ( 0.111 7.511 7.616) 10.698 3.559 ( 2.274 3.186 7.405) 8.376 3.767 ( -8.171 5.684 -0.988) 10.002 3.844 ( 8.706 -9.749 0.480) 13.079 3.926 ( 9.409 -2.056 -0.235) 9.634 4.089 ( 0.420 -11.305 4.601) 12.213 4.318 ( 3.503 7.929 -7.447) 11.429 4.386 ( 5.588 0.372 -2.589) 6.170 4.493 ( -5.606 3.588 5.356) 8.543 4.639 ( -9.151 -8.529 5.222) 13.555 4.954 ( -1.554 12.130 5.898) 13.577 5.097 ( 2.254 -1.994 2.156) 3.703 5.316 ( -0.996 11.490 6.332) 13.157 5.399 ( -2.781 3.136 -1.661) 4.509 5.483 ( 0.851 6.596 11.026) 12.877 5.628 ( -3.236 -5.239 0.133) 6.159 5.920 ( -1.169 1.953 -1.861) 2.940 5.999 ( -4.060 3.563 4.628) 7.113 6.074 ( -9.121 8.774 -1.158) 12.709 6.369 ( -5.094 -4.618 2.276) 7.243 6.494 ( -2.521 7.039 -2.808) 7.987 6.683 ( -1.887 -8.680 1.328) 8.981 6.802 ( 3.812 6.746 -3.458) 8.485 6.962 ( 4.886 -4.382 -0.534) 6.585 7.035 ( 5.178 3.778 -3.553) 7.328 7.106 ( 5.385 -5.842 -7.025) 10.606 7.245 ( -6.357 -0.380 1.319) 6.504 7.267 ( 3.053 -2.826 3.835) 5.658 7.569 ( -0.482 8.357 2.932) 8.870 7.788 ( 5.973 -7.024 -1.353) 9.319 7.816 ( -0.605 9.509 -1.051) 9.586 8.131 ( 1.498 -12.021 -6.362) 13.683 8.287 ( -0.471 3.360 0.679) 3.460 8.389 ( 2.540 9.218 0.437) 9.571 8.469 ( -0.298 -5.044 1.566) 5.290 8.612 ( -1.693 -6.792 -4.796) 8.485 8.661 ( -0.954 3.389 -3.291) 4.819 8.781 ( -1.326 -5.363 -6.457) 8.498 9.056 ( -2.255 7.024 -6.022) 9.523 9.229 ( 1.675 -6.402 0.834) 6.670 9.420 ( 5.185 2.840 -3.989) 7.132 9.500 ( 3.243 -4.438 1.276) 5.643 10.233 ( -5.563 5.453 12.518) 14.743 10.359 ( -5.158 -5.963 11.816) 14.205 10.633 ( 0.712 3.248 3.502) 4.829 10.710 ( 1.204 -3.442 0.153) 3.650 11.133 ( 10.007 4.188 -10.626) 15.185 11.219 ( 13.812 -3.007 -7.149) 15.840 11.370 ( 0.178 7.320 -4.041) 8.363 11.530 ( -3.302 -7.418 -0.015) 8.120 11.837 ( -9.706 -0.729 -4.225) 10.611 11.865 ( -10.068 -2.940 -11.045) 15.231 12.319 ( 1.530 2.305 1.545) 3.169 12.456 ( 5.215 -9.847 4.225) 11.917 12.772 ( 0.039 5.357 5.265) 7.511 12.907 ( 2.366 -5.526 6.151) 8.601 13.198 ( -0.616 4.289 -7.044) 8.270 13.309 ( -0.471 -5.214 -7.976) 9.541 13.738 ( -2.540 2.780 6.052) 7.128 13.833 ( -2.545 -6.486 7.803) 10.461 14.321 ( 2.553 5.054 2.776) 6.306 14.393 ( -2.469 1.893 -0.774) 3.206 14.480 ( -0.266 -0.774 -8.182) 8.223 14.534 ( 1.226 -3.777 -4.223) 5.797 14.949 ( -2.833 5.273 3.063) 6.724 15.087 ( -4.365 -7.624 4.356) 9.806 16.179 ( -6.972 0.931 -1.956) 7.301 16.179 ( -0.892 3.419 -3.612) 5.053 16.297 ( -2.165 5.133 1.829) 5.864 16.421 ( 2.229 -4.333 2.235) 5.361 16.603 ( 4.011 5.260 0.424) 6.628 16.728 ( 3.200 -5.877 0.686) 6.727 17.119 ( 5.340 1.891 -4.420) 7.185 17.129 ( 7.699 1.397 -4.294) 8.925 24.735 ( 3.044 0.596 2.991) 4.309 24.748 ( 2.623 -0.561 3.253) 4.217 25.119 ( -2.722 5.151 2.460) 6.324 25.213 ( -1.038 -3.400 5.227) 6.321 25.445 ( -2.606 0.720 2.904) 3.968 25.490 ( -1.669 -3.705 3.882) 5.620 25.759 ( -0.152 3.820 0.047) 3.824 25.845 ( -0.570 -4.097 -0.282) 4.146 27.138 ( 0.130 4.543 3.324) 5.631 27.286 ( 2.380 -9.522 4.131) 10.649 27.563 ( -0.313 3.539 0.101) 3.554 27.663 ( -0.935 -6.254 -4.647) 7.847 29.602 ( -2.025 4.511 1.512) 5.170 29.707 ( -1.475 -5.533 0.236) 5.732 31.176 ( 0.909 8.653 -7.848) 11.717 31.256 ( 2.228 0.806 -8.226) 8.560 ======================= Grid point 112 (62/104) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -2.289 5.107 17.138) 18.029 2.159 ( 1.629 0.689 14.706) 14.812 2.700 ( -3.747 7.577 9.242) 12.524 2.824 ( -4.703 -1.005 8.522) 9.785 3.169 ( -4.009 -4.186 0.363) 5.808 3.194 ( 3.019 -9.097 0.589) 9.603 3.498 ( 0.903 12.975 5.402) 14.083 3.706 ( 7.444 -3.356 3.065) 8.722 3.764 ( 6.188 10.605 5.315) 13.379 4.007 ( 3.206 -5.766 -1.625) 6.794 4.072 ( 5.885 -2.363 1.159) 6.446 4.127 ( 0.197 -4.685 2.655) 5.389 4.307 ( -2.832 6.050 10.508) 12.451 4.479 ( 5.933 0.539 -4.766) 7.630 4.544 ( 10.811 1.430 -1.304) 10.983 4.574 ( 2.587 -8.927 0.950) 9.342 4.928 ( -3.141 13.961 -0.691) 14.326 5.097 ( -4.145 3.751 0.083) 5.591 5.200 ( -9.150 7.745 -9.209) 15.117 5.287 ( -10.261 7.017 6.654) 14.100 5.480 ( -8.646 -5.487 6.776) 12.279 5.548 ( -5.591 -9.665 1.523) 11.269 5.797 ( -13.295 24.103 4.016) 27.819 5.934 ( 3.776 6.283 2.004) 7.600 6.061 ( 3.910 -5.169 -1.110) 6.575 6.290 ( -4.799 -5.866 4.201) 8.665 6.393 ( -5.273 3.183 -2.507) 6.650 6.607 ( -5.331 -9.860 -0.939) 11.248 6.736 ( -3.631 6.117 -9.263) 11.680 6.953 ( -0.455 -7.004 -3.113) 7.678 7.160 ( 1.723 -2.509 0.352) 3.064 7.192 ( 2.010 6.085 -0.221) 6.412 7.229 ( 8.241 -2.270 -1.166) 8.627 7.371 ( 4.506 -5.945 2.414) 7.840 7.625 ( 3.776 8.779 5.076) 10.821 7.823 ( 0.228 4.060 1.563) 4.356 7.923 ( 9.217 -4.163 -1.669) 10.251 8.107 ( -2.578 -0.428 -1.177) 2.867 8.160 ( -11.315 -4.389 -4.941) 13.103 8.285 ( -9.856 -4.761 -8.400) 13.797 8.475 ( 3.571 8.294 -2.346) 9.330 8.587 ( 5.217 -1.100 0.224) 5.336 8.751 ( 4.157 -2.639 -1.569) 5.168 8.780 ( 2.243 -5.171 -5.094) 7.597 9.033 ( 2.406 10.966 0.151) 11.228 9.267 ( 1.603 -9.816 0.970) 9.994 9.494 ( 4.466 2.861 -2.682) 5.943 9.551 ( 1.325 -2.857 1.647) 3.554 10.172 ( -6.465 6.170 10.312) 13.645 10.315 ( -5.483 -7.087 11.751) 14.778 10.656 ( 0.311 4.387 2.127) 4.885 10.746 ( 1.689 -3.768 0.398) 4.148 11.203 ( 1.979 7.310 -8.351) 11.273 11.290 ( -2.011 6.071 -5.661) 8.541 11.428 ( 7.080 -6.718 -10.222) 14.133 11.475 ( -8.097 -7.862 -4.714) 12.231 11.681 ( 5.867 2.643 -0.606) 6.463 11.783 ( 1.902 -5.749 -0.526) 6.078 12.385 ( 4.130 6.462 3.873) 8.592 12.575 ( 5.791 -10.732 2.266) 12.403 12.838 ( 3.959 7.621 5.457) 10.175 12.991 ( 2.729 -4.214 4.692) 6.872 13.141 ( -1.199 0.725 -5.640) 5.811 13.254 ( -0.642 -7.282 -6.373) 9.698 13.742 ( -0.429 2.724 5.853) 6.470 13.830 ( -2.236 -6.177 6.542) 9.271 14.283 ( -6.498 4.571 -5.477) 9.649 14.329 ( -2.500 0.803 -2.110) 3.368 14.411 ( -1.396 3.842 -7.359) 8.418 14.554 ( 1.471 -7.991 -2.101) 8.392 14.960 ( 2.272 4.426 4.127) 6.464 15.062 ( -0.883 -5.112 4.560) 6.907 16.021 ( -8.331 1.226 -1.651) 8.581 16.055 ( -7.347 -1.782 -2.580) 7.988 16.348 ( 3.439 8.125 2.039) 9.056 16.451 ( 1.116 -1.807 0.133) 2.128 16.688 ( 4.155 4.725 -0.241) 6.297 16.783 ( 2.178 -4.075 -0.601) 4.659 17.149 ( 0.006 3.371 -3.509) 4.865 17.207 ( 2.549 -1.503 -4.194) 5.133 24.795 ( 0.682 1.082 4.606) 4.780 24.823 ( 2.784 -1.513 5.019) 5.936 25.054 ( -4.538 5.425 0.439) 7.087 25.171 ( -5.170 -5.633 0.438) 7.659 25.435 ( -0.555 1.594 5.048) 5.323 25.490 ( -0.611 -3.598 4.237) 5.592 25.757 ( -0.133 2.927 0.350) 2.950 25.826 ( -1.080 -3.386 -0.575) 3.601 27.174 ( 1.081 6.472 4.548) 7.984 27.347 ( 0.869 -9.545 5.353) 10.978 27.554 ( -0.447 2.944 -1.222) 3.218 27.637 ( 1.265 -5.279 -4.243) 6.890 29.591 ( 0.006 3.905 1.680) 4.251 29.688 ( -0.447 -5.356 0.004) 5.375 31.160 ( 1.865 9.148 -7.662) 12.078 31.253 ( 2.314 0.061 -8.553) 8.861 ======================= Grid point 113 (63/104) ======================= q-point: (-0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 2.492 16.113 14.313) 21.695 2.384 ( 9.145 0.768 18.270) 20.446 2.648 ( -3.930 7.339 14.901) 17.069 2.836 ( -3.150 -8.079 9.948) 13.197 3.242 ( 9.971 -1.175 -1.741) 10.190 3.328 ( 8.623 -8.954 -1.263) 12.495 3.547 ( -0.472 14.541 0.600) 14.561 3.768 ( -4.854 -4.049 -5.982) 8.703 3.877 ( 1.619 3.369 0.899) 3.844 3.985 ( 5.321 -3.911 0.147) 6.605 4.063 ( -1.296 3.222 4.558) 5.730 4.187 ( 2.134 -7.195 7.873) 10.877 4.471 ( 9.544 7.071 7.983) 14.312 4.613 ( 4.109 4.904 -2.104) 6.735 4.654 ( 2.131 5.604 -1.316) 6.139 4.745 ( 8.243 3.122 3.607) 9.524 4.800 ( -5.203 9.730 -4.906) 12.075 4.931 ( -6.078 9.419 -1.322) 11.288 5.067 ( -9.427 2.555 4.255) 10.654 5.145 ( 1.050 0.033 -7.844) 7.914 5.277 ( -10.835 -7.258 5.678) 14.224 5.411 ( -10.928 -10.017 4.130) 15.389 5.668 ( -4.786 15.808 10.475) 19.558 6.020 ( 0.399 -3.391 0.536) 3.456 6.104 ( 1.851 4.583 -1.619) 5.202 6.274 ( 2.019 4.139 -1.224) 4.765 6.322 ( -2.797 -13.738 6.943) 15.645 6.500 ( -5.825 -11.719 -1.470) 13.169 6.676 ( 4.138 11.418 -6.231) 13.650 6.956 ( 3.282 -8.440 -3.727) 9.793 7.129 ( -5.993 -0.072 1.403) 6.156 7.202 ( -1.267 -2.596 -1.827) 3.418 7.355 ( 3.418 4.235 1.135) 5.559 7.474 ( 7.308 -1.211 0.856) 7.457 7.701 ( -3.177 2.426 3.153) 5.091 7.756 ( -3.407 4.440 -2.036) 5.955 7.912 ( -7.902 1.729 -6.770) 10.548 8.064 ( -1.311 2.286 0.121) 2.638 8.082 ( 6.872 -7.789 -1.548) 10.502 8.176 ( 0.104 -5.025 1.433) 5.226 8.488 ( -0.433 5.420 -4.481) 7.046 8.613 ( -1.455 -4.840 -7.212) 8.807 8.803 ( 2.464 -0.003 -0.585) 2.532 8.827 ( 4.586 -1.324 -2.640) 5.454 9.099 ( 2.891 8.910 1.071) 9.428 9.275 ( -0.266 -6.790 -1.460) 6.950 9.553 ( 1.957 1.931 -2.936) 4.022 9.582 ( 2.502 -2.135 0.215) 3.296 10.122 ( -4.558 6.739 10.034) 12.918 10.292 ( -3.733 -8.863 11.086) 14.676 10.669 ( 0.110 5.296 1.778) 5.588 10.770 ( 0.991 -4.103 -0.159) 4.223 11.117 ( -5.669 5.221 -3.047) 8.287 11.205 ( -7.791 -1.697 -4.230) 9.026 11.289 ( -0.298 6.552 -10.020) 11.976 11.518 ( 7.654 -12.114 -6.283) 15.646 11.852 ( 5.638 0.284 -0.465) 5.664 11.882 ( 9.647 -2.265 0.248) 9.912 12.472 ( 2.487 8.018 0.915) 8.445 12.664 ( 2.893 -9.408 -3.954) 10.607 12.967 ( 5.574 8.822 2.032) 10.632 13.026 ( 2.604 2.387 -3.399) 4.902 13.148 ( 2.900 -5.212 -0.033) 5.964 13.260 ( 4.385 -11.564 1.763) 12.492 13.767 ( -0.814 0.103 5.278) 5.341 13.799 ( -4.499 -3.784 4.306) 7.287 14.128 ( -6.114 6.003 -4.934) 9.888 14.236 ( -3.562 -3.466 -4.414) 6.647 14.381 ( 0.265 7.593 -1.230) 7.696 14.567 ( 1.651 -9.503 -2.136) 9.879 15.047 ( 2.452 2.369 4.710) 5.815 15.086 ( 1.730 -0.840 3.386) 3.894 15.865 ( -7.795 2.298 0.848) 8.171 15.933 ( -4.768 -3.886 1.386) 6.306 16.405 ( 1.795 7.146 0.887) 7.421 16.495 ( 4.065 -1.026 -0.790) 4.266 16.736 ( 1.753 4.532 -2.421) 5.429 16.801 ( 0.867 -1.501 -2.235) 2.828 17.082 ( -5.540 3.228 -1.652) 6.621 17.171 ( -4.149 -4.186 -3.894) 7.064 24.785 ( -4.519 3.821 3.877) 7.075 24.873 ( -1.885 -4.186 5.335) 7.038 25.000 ( -0.850 2.718 2.004) 3.482 25.067 ( -4.016 -3.953 -0.477) 5.655 25.465 ( 0.249 0.795 5.675) 5.735 25.507 ( -0.079 -2.951 3.955) 4.936 25.758 ( -0.105 1.796 0.666) 1.918 25.806 ( -0.675 -2.560 -0.266) 2.661 27.205 ( -0.584 6.115 4.144) 7.410 27.358 ( -2.160 -8.112 3.547) 9.114 27.543 ( 0.656 5.569 -2.449) 6.119 27.668 ( 3.262 -6.289 -2.190) 7.415 29.617 ( 1.700 2.569 1.640) 3.490 29.693 ( 0.929 -4.527 0.038) 4.621 31.167 ( 3.265 8.512 -7.751) 11.966 31.252 ( 2.542 0.220 -9.078) 9.430 ======================= Grid point 114 (64/104) ======================= q-point: (-0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 6.857 23.266 9.851) 26.180 2.609 ( -1.701 18.523 22.379) 29.100 2.761 ( 10.326 -9.557 5.540) 15.121 2.866 ( 0.808 -5.831 13.803) 15.006 3.271 ( -8.759 -1.452 -8.540) 12.319 3.367 ( -3.727 -9.100 -4.445) 10.792 3.494 ( 0.138 1.770 -9.415) 9.581 3.592 ( 0.306 -7.265 -6.993) 10.088 3.937 ( -2.578 7.285 1.656) 7.903 4.068 ( -2.131 -3.507 1.714) 4.447 4.149 ( 5.211 5.976 4.852) 9.295 4.277 ( 3.712 -4.756 4.260) 7.385 4.482 ( -2.536 11.911 1.093) 12.227 4.572 ( -6.694 10.499 2.971) 12.801 4.585 ( -6.541 0.998 2.177) 6.966 4.725 ( -5.392 1.473 -4.038) 6.895 4.819 ( -4.492 13.936 4.385) 15.284 4.971 ( 11.720 2.877 2.522) 12.329 5.051 ( 2.325 10.565 8.737) 13.906 5.162 ( -0.655 -7.741 1.150) 7.853 5.260 ( 0.150 -11.114 7.809) 13.584 5.359 ( 8.999 1.697 5.296) 10.579 5.713 ( 4.021 4.493 11.120) 12.649 5.960 ( -2.933 -9.104 1.616) 9.700 6.132 ( 1.254 8.899 -2.864) 9.432 6.281 ( -0.974 0.434 -2.123) 2.376 6.337 ( -0.637 -10.435 2.924) 10.855 6.411 ( -1.874 -11.728 3.472) 12.374 6.808 ( 9.128 10.847 -5.971) 15.383 6.945 ( -10.730 6.213 3.217) 12.810 7.054 ( 5.446 -9.155 0.704) 10.676 7.109 ( -4.833 -7.935 -7.235) 11.776 7.378 ( 2.330 8.246 -7.853) 11.623 7.585 ( 0.231 -0.504 1.982) 2.058 7.607 ( -2.279 -3.115 3.725) 5.364 7.730 ( -4.324 -2.378 2.171) 5.391 7.852 ( 4.005 10.670 -1.675) 11.520 8.045 ( -1.529 9.907 -0.597) 10.042 8.125 ( 0.686 -10.337 -0.238) 10.362 8.237 ( 3.319 -8.949 1.195) 9.619 8.466 ( 1.295 3.508 -3.634) 5.215 8.550 ( 0.413 -2.809 -5.306) 6.018 8.813 ( -1.015 0.563 -2.291) 2.569 8.850 ( 0.012 -2.308 -4.566) 5.116 9.140 ( 1.493 7.395 -0.317) 7.551 9.264 ( 0.678 -3.668 -4.292) 5.686 9.530 ( -1.555 3.613 -5.724) 6.945 9.604 ( -0.487 -3.892 -3.118) 5.011 10.114 ( -2.093 5.798 10.722) 12.368 10.283 ( -2.925 -9.583 9.483) 13.796 10.677 ( -0.775 5.594 2.522) 6.185 10.789 ( 1.450 -4.649 -0.354) 4.883 11.001 ( -5.150 0.171 -2.801) 5.865 11.026 ( -7.447 -2.227 -3.603) 8.567 11.320 ( 6.283 14.616 -5.296) 16.767 11.659 ( 9.813 -15.702 -3.386) 18.824 11.924 ( 3.515 4.724 -3.736) 6.973 12.019 ( 5.448 -4.283 -3.121) 7.600 12.468 ( -2.017 6.548 -3.403) 7.650 12.634 ( -2.237 -8.638 -6.580) 11.087 12.954 ( -2.938 8.511 -3.660) 9.719 13.087 ( 0.702 -3.945 -7.235) 8.271 13.213 ( 3.975 1.938 -1.382) 4.633 13.388 ( 3.634 -12.896 1.678) 13.503 13.737 ( -2.298 0.324 5.877) 6.318 13.784 ( 1.429 -2.498 4.566) 5.397 14.048 ( -1.416 8.308 1.786) 8.615 14.192 ( -0.199 -4.331 1.299) 4.526 14.410 ( 3.173 6.724 1.209) 7.533 14.601 ( 2.613 -10.201 -1.712) 10.669 15.042 ( -2.806 6.736 1.010) 7.367 15.177 ( 3.505 -5.650 5.486) 8.620 15.776 ( -2.118 6.521 4.675) 8.298 15.916 ( 1.006 -6.602 5.884) 8.901 16.436 ( 1.882 7.651 -0.875) 7.928 16.564 ( 3.176 -4.106 -2.495) 5.760 16.749 ( 1.928 5.748 -2.601) 6.597 16.785 ( -1.995 2.849 -3.516) 4.945 16.956 ( -5.519 0.007 -0.986) 5.606 17.025 ( -9.166 -5.710 -2.900) 11.182 24.703 ( -4.722 4.021 1.883) 6.481 24.791 ( -6.653 -4.227 1.548) 8.033 25.036 ( 1.560 0.735 5.461) 5.727 25.058 ( 0.818 -1.190 4.540) 4.764 25.493 ( -0.432 -0.063 5.093) 5.112 25.523 ( -0.395 -2.566 3.289) 4.190 25.757 ( -0.244 1.814 0.464) 1.888 25.806 ( 0.594 -2.824 0.770) 2.987 27.195 ( -2.132 4.324 2.625) 5.489 27.315 ( -3.462 -6.871 0.943) 7.752 27.553 ( 1.265 7.597 -1.588) 7.863 27.711 ( 2.214 -7.244 -1.934) 7.817 29.657 ( 1.279 1.768 1.365) 2.574 29.717 ( 1.365 -3.836 0.346) 4.087 31.196 ( 4.225 6.713 -7.953) 11.232 31.249 ( 2.210 1.713 -9.426) 9.832 ======================= Grid point 133 (65/104) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -5.548 0.000 28.774) 29.304 2.155 ( 2.392 0.000 35.465) 35.546 2.825 ( 4.694 0.000 -15.810) 16.492 3.210 ( -6.661 0.000 12.681) 14.324 3.343 ( -2.174 0.000 19.771) 19.891 3.348 ( -0.334 0.000 -10.952) 10.957 3.523 ( 1.835 0.000 14.626) 14.741 3.738 ( -6.369 0.000 2.536) 6.855 3.821 ( 2.316 0.000 -3.611) 4.290 3.915 ( -8.903 0.000 -13.029) 15.780 4.010 ( -5.628 0.000 10.771) 12.153 4.106 ( 7.255 0.000 -4.163) 8.365 4.220 ( 5.590 0.000 4.118) 6.943 4.344 ( -1.723 0.000 13.498) 13.608 4.358 ( 6.285 0.000 -0.004) 6.285 4.627 ( 6.420 0.000 20.755) 21.725 4.761 ( -2.218 0.000 -9.839) 10.086 4.925 ( 1.895 0.000 8.964) 9.162 4.958 ( 2.094 0.000 9.151) 9.387 5.194 ( 6.341 0.000 3.158) 7.084 5.270 ( -5.343 0.000 13.252) 14.289 5.631 ( -10.552 0.000 -18.557) 21.347 5.646 ( -3.457 0.000 -20.339) 20.631 5.847 ( 3.329 0.000 -2.752) 4.319 5.915 ( 8.578 0.000 -6.985) 11.062 6.102 ( -6.764 0.000 -15.477) 16.890 6.461 ( -4.567 0.000 -0.412) 4.585 6.505 ( 5.617 0.000 -2.285) 6.064 6.721 ( -1.624 0.000 -2.865) 3.293 6.867 ( -4.288 0.000 -7.734) 8.843 6.936 ( 2.169 0.000 2.223) 3.105 7.224 ( -6.805 0.000 -7.102) 9.836 7.392 ( -13.359 0.000 -1.340) 13.426 7.403 ( 6.760 0.000 -0.484) 6.777 7.462 ( 2.286 0.000 4.465) 5.016 7.506 ( 3.071 0.000 4.539) 5.480 7.784 ( 6.646 0.000 11.558) 13.332 8.058 ( 0.677 0.000 6.562) 6.597 8.243 ( -4.912 0.000 -7.932) 9.330 8.385 ( 2.975 0.000 3.564) 4.643 8.437 ( -6.283 0.000 -11.459) 13.069 8.586 ( -1.649 0.000 -4.925) 5.194 8.772 ( 1.038 0.000 3.999) 4.131 9.052 ( 5.463 0.000 1.878) 5.777 9.126 ( 3.391 0.000 -5.899) 6.804 9.199 ( -8.344 0.000 9.575) 12.700 9.241 ( 5.419 0.000 -4.311) 6.924 9.599 ( 4.057 0.000 -14.564) 15.118 10.338 ( -3.701 0.000 13.029) 13.544 10.434 ( -3.941 0.000 5.908) 7.102 10.721 ( 2.875 0.000 -8.527) 8.999 10.816 ( 0.620 0.000 -8.394) 8.416 10.859 ( 5.542 0.000 2.804) 6.211 11.029 ( -9.156 0.000 -2.234) 9.425 11.673 ( 5.514 0.000 7.946) 9.672 11.729 ( 1.324 0.000 7.128) 7.250 12.077 ( 5.073 0.000 7.890) 9.380 12.203 ( -7.680 0.000 0.412) 7.691 12.332 ( 4.319 0.000 1.366) 4.530 12.472 ( 2.212 0.000 -7.689) 8.001 12.682 ( 3.524 0.000 -10.247) 10.836 12.818 ( -11.268 0.000 -18.094) 21.315 13.322 ( 12.045 0.000 -1.410) 12.128 13.431 ( -3.476 0.000 -4.469) 5.661 13.880 ( -8.765 0.000 4.757) 9.973 14.051 ( 0.540 0.000 -3.139) 3.185 14.057 ( 1.655 0.000 13.720) 13.820 14.433 ( 4.593 0.000 5.463) 7.138 14.638 ( -5.389 0.000 -0.213) 5.393 14.693 ( -4.780 0.000 -9.204) 10.371 15.018 ( 12.320 0.000 2.310) 12.535 15.233 ( -4.674 0.000 -6.039) 7.637 15.937 ( 16.739 0.000 0.968) 16.767 15.974 ( -14.154 0.000 -0.250) 14.156 16.326 ( 9.518 0.000 3.808) 10.251 16.424 ( -0.566 0.000 -0.794) 0.975 16.550 ( 2.443 0.000 5.722) 6.221 16.636 ( -0.517 0.000 0.622) 0.809 16.833 ( -7.083 0.000 5.001) 8.670 17.044 ( -2.642 0.000 -4.689) 5.382 24.585 ( 0.394 0.000 3.067) 3.092 24.707 ( -3.151 0.000 -2.969) 4.329 25.164 ( -1.540 0.000 5.982) 6.177 25.318 ( 1.154 0.000 4.388) 4.538 25.561 ( -1.075 0.000 -0.558) 1.211 25.610 ( -3.487 0.000 1.723) 3.890 25.915 ( 0.635 0.000 5.219) 5.257 26.116 ( -7.439 0.000 -5.157) 9.051 27.436 ( 2.554 0.000 9.070) 9.423 27.529 ( -8.257 0.000 8.233) 11.660 27.777 ( -0.057 0.000 -9.252) 9.252 27.980 ( 20.529 0.000 -12.294) 23.929 29.545 ( -0.403 0.000 2.776) 2.805 29.696 ( -0.060 0.000 -4.345) 4.345 30.463 ( -1.366 0.000 2.541) 2.885 30.577 ( 0.311 0.000 -2.814) 2.831 ======================= Grid point 134 (66/104) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 8.792 0.000 24.119) 25.672 2.422 ( 5.023 0.000 34.423) 34.787 2.865 ( 6.804 0.000 -15.092) 16.555 2.988 ( -16.082 0.000 -1.451) 16.147 3.199 ( -10.346 0.000 -0.003) 10.346 3.281 ( -13.102 0.000 7.993) 15.348 3.489 ( -16.864 0.000 5.269) 17.668 3.666 ( 0.351 0.000 7.532) 7.540 3.794 ( 0.176 0.000 -6.274) 6.276 3.892 ( -3.606 0.000 0.355) 3.623 3.952 ( 5.405 0.000 9.142) 10.620 4.165 ( 1.010 0.000 -3.603) 3.742 4.299 ( -1.234 0.000 6.267) 6.387 4.360 ( 0.118 0.000 5.517) 5.519 4.390 ( -3.126 0.000 -5.082) 5.966 4.664 ( -4.860 0.000 4.146) 6.388 4.781 ( -11.089 0.000 11.269) 15.810 4.911 ( 9.930 0.000 7.144) 12.232 5.192 ( -10.575 0.000 -16.474) 19.576 5.274 ( -4.009 0.000 15.576) 16.083 5.295 ( 2.261 0.000 9.172) 9.446 5.326 ( 16.424 0.000 2.910) 16.680 5.560 ( -0.368 0.000 -19.053) 19.056 5.742 ( -11.665 0.000 -11.801) 16.593 6.026 ( 4.225 0.000 -7.018) 8.191 6.033 ( 7.452 0.000 -8.030) 10.955 6.392 ( -2.504 0.000 -0.054) 2.505 6.592 ( 5.025 0.000 -1.141) 5.153 6.687 ( -5.679 0.000 1.018) 5.769 6.814 ( 3.214 0.000 -2.270) 3.935 6.913 ( -0.124 0.000 12.282) 12.283 7.090 ( -2.024 0.000 -6.825) 7.119 7.291 ( 2.925 0.000 -3.947) 4.913 7.509 ( 1.866 0.000 6.069) 6.349 7.621 ( 12.879 0.000 0.934) 12.913 7.664 ( 7.929 0.000 0.658) 7.956 7.960 ( 2.859 0.000 10.437) 10.821 8.028 ( -9.062 0.000 -11.704) 14.803 8.122 ( 1.543 0.000 9.516) 9.641 8.272 ( -3.506 0.000 -8.440) 9.139 8.525 ( -0.665 0.000 -4.765) 4.811 8.566 ( 11.038 0.000 2.918) 11.417 8.806 ( -2.245 0.000 4.111) 4.684 9.038 ( -7.216 0.000 -10.542) 12.775 9.058 ( -8.014 0.000 4.609) 9.245 9.176 ( 5.851 0.000 -0.726) 5.895 9.210 ( 0.471 0.000 -9.340) 9.352 9.676 ( 4.495 0.000 -3.611) 5.766 10.302 ( -10.866 0.000 4.237) 11.663 10.364 ( 0.485 0.000 11.145) 11.155 10.741 ( 3.439 0.000 -6.277) 7.158 10.797 ( 0.524 0.000 -1.688) 1.767 10.927 ( -1.822 0.000 -2.290) 2.927 11.088 ( 15.348 0.000 1.804) 15.454 11.739 ( -4.029 0.000 0.261) 4.037 11.811 ( 5.889 0.000 4.886) 7.652 12.080 ( -4.294 0.000 2.168) 4.810 12.118 ( -6.131 0.000 5.681) 8.359 12.410 ( 2.382 0.000 2.483) 3.441 12.454 ( 0.733 0.000 -6.612) 6.653 12.522 ( -10.531 0.000 -13.560) 17.169 12.703 ( 3.226 0.000 -6.293) 7.071 13.347 ( -2.640 0.000 -9.291) 9.659 13.478 ( 6.828 0.000 -2.882) 7.411 13.795 ( -0.659 0.000 10.246) 10.268 14.103 ( 4.565 0.000 -0.206) 4.570 14.197 ( 2.214 0.000 16.590) 16.737 14.368 ( -8.426 0.000 -9.018) 12.342 14.546 ( -3.215 0.000 -1.794) 3.682 14.737 ( 8.911 0.000 2.553) 9.270 15.065 ( -7.501 0.000 -10.932) 13.257 15.254 ( 11.440 0.000 2.337) 11.676 15.679 ( -16.475 0.000 -1.633) 16.556 16.171 ( 7.244 0.000 0.436) 7.258 16.348 ( -5.243 0.000 -5.874) 7.874 16.489 ( 6.411 0.000 -0.036) 6.411 16.557 ( -4.511 0.000 3.650) 5.803 16.569 ( -6.012 0.000 -1.299) 6.151 16.868 ( 5.966 0.000 10.036) 11.676 17.034 ( 3.358 0.000 -1.177) 3.558 24.653 ( 4.639 0.000 3.889) 6.053 24.688 ( 2.257 0.000 -1.182) 2.548 25.146 ( -3.997 0.000 6.470) 7.605 25.335 ( -0.642 0.000 -0.801) 1.027 25.561 ( -2.309 0.000 1.599) 2.808 25.578 ( 1.532 0.000 6.433) 6.612 25.963 ( 0.885 0.000 6.510) 6.570 26.006 ( -2.829 0.000 -1.036) 3.013 27.372 ( -11.121 0.000 7.278) 13.291 27.529 ( 1.652 0.000 6.713) 6.914 27.711 ( -1.521 0.000 -11.743) 11.841 28.127 ( 4.838 0.000 -17.217) 17.884 29.568 ( 0.988 0.000 3.261) 3.408 29.722 ( 4.882 0.000 -4.841) 6.876 30.470 ( 0.438 0.000 2.933) 2.966 30.566 ( 0.180 0.000 -2.639) 2.645 ======================= Grid point 135 (67/104) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 10.011 0.000 11.196) 15.019 2.599 ( -4.429 0.000 13.552) 14.257 2.721 ( -10.049 0.000 17.023) 19.768 2.851 ( -5.083 0.000 9.551) 10.819 3.014 ( -6.715 0.000 -8.649) 10.949 3.119 ( 0.578 0.000 -4.356) 4.394 3.228 ( -15.572 0.000 6.494) 16.872 3.638 ( -5.128 0.000 -2.540) 5.723 3.756 ( -8.236 0.000 8.796) 12.050 3.805 ( 1.556 0.000 -0.804) 1.752 4.044 ( -5.570 0.000 -6.924) 8.886 4.108 ( -2.845 0.000 -9.554) 9.968 4.258 ( -7.159 0.000 14.649) 16.305 4.278 ( -3.271 0.000 6.713) 7.468 4.419 ( 3.311 0.000 0.802) 3.407 4.574 ( -0.643 0.000 -5.063) 5.104 4.666 ( -7.552 0.000 12.986) 15.023 5.019 ( 6.609 0.000 -8.401) 10.689 5.128 ( -7.702 0.000 14.960) 16.827 5.274 ( -7.542 0.000 2.876) 8.072 5.327 ( 4.992 0.000 4.316) 6.599 5.463 ( 1.805 0.000 -17.060) 17.155 5.492 ( -6.302 0.000 -9.400) 11.317 5.573 ( 9.676 0.000 -6.358) 11.578 6.068 ( 4.111 0.000 2.520) 4.822 6.132 ( 5.729 0.000 -1.039) 5.822 6.394 ( 2.565 0.000 -0.329) 2.586 6.530 ( -8.773 0.000 2.894) 9.238 6.646 ( -0.081 0.000 3.965) 3.966 6.953 ( 9.951 0.000 0.782) 9.981 7.081 ( 2.994 0.000 -4.520) 5.422 7.169 ( 15.924 0.000 14.235) 21.359 7.357 ( 4.516 0.000 -8.476) 9.604 7.567 ( 1.040 0.000 7.586) 7.657 7.736 ( 0.808 0.000 -2.064) 2.217 7.831 ( 2.303 0.000 -2.979) 3.765 7.845 ( -3.215 0.000 -6.987) 7.691 7.957 ( -0.391 0.000 13.270) 13.276 8.221 ( 3.113 0.000 11.647) 12.056 8.282 ( 5.779 0.000 -9.678) 11.272 8.515 ( -0.532 0.000 4.618) 4.648 8.703 ( 0.965 0.000 -2.528) 2.706 8.705 ( -7.002 0.000 -1.385) 7.138 8.869 ( -5.040 0.000 -7.315) 8.883 8.985 ( -0.825 0.000 -1.802) 1.981 9.167 ( 0.859 0.000 -12.974) 13.002 9.261 ( 2.992 0.000 -0.556) 3.043 9.687 ( -0.399 0.000 -2.502) 2.534 10.142 ( -7.787 0.000 5.934) 9.791 10.466 ( 5.636 0.000 3.109) 6.437 10.759 ( -0.386 0.000 -3.157) 3.181 10.817 ( 1.629 0.000 1.106) 1.969 10.926 ( 3.215 0.000 1.148) 3.414 11.384 ( 13.288 0.000 4.868) 14.152 11.581 ( -9.866 0.000 -6.138) 11.619 11.878 ( -7.285 0.000 1.804) 7.505 12.024 ( 3.068 0.000 2.255) 3.808 12.074 ( 0.692 0.000 1.847) 1.972 12.304 ( -3.567 0.000 -10.024) 10.640 12.441 ( 0.589 0.000 -3.308) 3.360 12.462 ( 0.183 0.000 3.786) 3.790 12.684 ( -3.485 0.000 -4.941) 6.046 13.275 ( 1.811 0.000 -9.389) 9.562 13.582 ( 6.117 0.000 -1.736) 6.358 13.936 ( 7.127 0.000 11.755) 13.746 14.101 ( -6.164 0.000 -8.765) 10.715 14.215 ( -0.888 0.000 -0.443) 0.992 14.262 ( -4.476 0.000 11.014) 11.889 14.529 ( 2.570 0.000 1.143) 2.813 14.877 ( -5.766 0.000 -9.836) 11.402 14.905 ( 7.404 0.000 -0.845) 7.452 15.325 ( -11.058 0.000 -7.328) 13.266 15.513 ( 6.422 0.000 6.995) 9.496 16.161 ( -7.731 0.000 -6.391) 10.031 16.275 ( 0.824 0.000 4.116) 4.197 16.431 ( -5.876 0.000 -2.643) 6.444 16.480 ( -4.493 0.000 0.920) 4.586 16.569 ( 2.461 0.000 -2.601) 3.581 17.044 ( 6.011 0.000 7.876) 9.908 17.123 ( 4.929 0.000 1.816) 5.252 24.762 ( 5.310 0.000 0.355) 5.322 24.772 ( 4.924 0.000 3.958) 6.317 25.086 ( -5.789 0.000 6.565) 8.752 25.303 ( -0.938 0.000 -3.857) 3.969 25.549 ( -0.182 0.000 2.670) 2.676 25.652 ( 1.377 0.000 6.273) 6.422 26.005 ( -0.866 0.000 8.004) 8.051 26.011 ( 3.596 0.000 3.163) 4.790 27.213 ( -8.168 0.000 3.838) 9.025 27.580 ( -5.404 0.000 -15.095) 16.033 27.583 ( 0.480 0.000 6.529) 6.547 28.055 ( -1.852 0.000 -13.734) 13.858 29.602 ( 0.270 0.000 3.873) 3.882 29.789 ( 4.591 0.000 -5.614) 7.252 30.502 ( 1.682 0.000 1.120) 2.020 30.560 ( 0.577 0.000 -2.174) 2.249 ======================= Grid point 136 (68/104) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -18.610 0.000 18.842) 26.483 2.421 ( -16.620 0.000 8.957) 18.880 2.819 ( -5.691 0.000 12.036) 13.314 2.869 ( 1.472 0.000 -9.212) 9.328 3.011 ( 14.793 0.000 10.993) 18.430 3.039 ( -3.132 0.000 3.461) 4.667 3.265 ( 11.076 0.000 3.512) 11.619 3.500 ( -7.254 0.000 8.405) 11.103 3.730 ( 2.378 0.000 -3.703) 4.401 3.735 ( -7.901 0.000 -3.834) 8.782 3.873 ( -6.284 0.000 0.413) 6.297 4.052 ( 2.548 0.000 -7.716) 8.126 4.197 ( -8.363 0.000 15.544) 17.651 4.267 ( -3.167 0.000 5.976) 6.763 4.470 ( 1.352 0.000 1.539) 2.048 4.538 ( -4.970 0.000 0.971) 5.064 4.659 ( 0.130 0.000 9.458) 9.459 5.020 ( -5.740 0.000 5.314) 7.822 5.113 ( -7.867 0.000 -0.571) 7.887 5.124 ( 6.522 0.000 -0.450) 6.538 5.377 ( -4.331 0.000 -2.922) 5.225 5.411 ( 3.945 0.000 -5.115) 6.459 5.495 ( 9.220 0.000 -13.949) 16.720 5.678 ( 7.423 0.000 -10.236) 12.644 6.176 ( 1.418 0.000 7.725) 7.854 6.240 ( 5.482 0.000 0.568) 5.512 6.448 ( 0.521 0.000 0.568) 0.771 6.451 ( 3.288 0.000 -0.566) 3.337 6.652 ( -2.425 0.000 5.535) 6.043 7.091 ( 4.870 0.000 -5.446) 7.306 7.110 ( 1.235 0.000 -0.395) 1.296 7.284 ( -4.675 0.000 -12.014) 12.891 7.516 ( 9.609 0.000 10.338) 14.114 7.614 ( -2.318 0.000 8.173) 8.495 7.720 ( -7.564 0.000 2.398) 7.935 7.741 ( 2.229 0.000 3.991) 4.571 7.874 ( 7.048 0.000 -0.758) 7.089 8.090 ( 2.925 0.000 2.125) 3.615 8.245 ( -4.075 0.000 -1.990) 4.535 8.365 ( 6.030 0.000 9.557) 11.300 8.540 ( 0.468 0.000 1.264) 1.348 8.565 ( -12.954 0.000 -0.450) 12.962 8.675 ( 5.188 0.000 0.566) 5.219 8.797 ( 1.548 0.000 -6.205) 6.395 8.969 ( 1.408 0.000 -7.915) 8.039 9.059 ( -5.054 0.000 -16.195) 16.965 9.290 ( -0.006 0.000 3.719) 3.719 9.673 ( 1.868 0.000 -7.101) 7.342 10.109 ( -0.063 0.000 8.111) 8.111 10.565 ( 5.407 0.000 -10.386) 11.709 10.685 ( -6.732 0.000 7.500) 10.079 10.855 ( 0.919 0.000 2.628) 2.785 11.062 ( 8.770 0.000 3.604) 9.481 11.348 ( -10.478 0.000 -8.872) 13.730 11.578 ( 3.184 0.000 8.037) 8.645 11.707 ( -9.440 0.000 6.318) 11.359 12.087 ( 1.622 0.000 -2.573) 3.042 12.149 ( 6.536 0.000 -8.071) 10.386 12.332 ( 10.096 0.000 -4.208) 10.938 12.423 ( -2.178 0.000 -4.569) 5.061 12.468 ( -0.736 0.000 2.229) 2.348 12.557 ( -2.767 0.000 -4.814) 5.553 13.329 ( 6.316 0.000 -0.099) 6.317 13.630 ( -1.419 0.000 -8.385) 8.505 13.989 ( 1.775 0.000 -1.116) 2.096 14.114 ( 3.928 0.000 6.396) 7.506 14.128 ( -9.334 0.000 -0.061) 9.335 14.201 ( -1.886 0.000 0.625) 1.987 14.660 ( 7.277 0.000 7.680) 10.581 14.781 ( -1.246 0.000 -0.667) 1.413 14.978 ( 1.661 0.000 -6.553) 6.760 15.065 ( -10.602 0.000 -6.437) 12.403 15.708 ( 9.159 0.000 6.373) 11.158 15.967 ( -8.565 0.000 -6.724) 10.889 16.318 ( -0.071 0.000 7.768) 7.768 16.344 ( -2.963 0.000 0.444) 2.997 16.414 ( -1.933 0.000 -1.189) 2.269 16.574 ( 0.579 0.000 -4.549) 4.585 17.139 ( 0.359 0.000 5.104) 5.117 17.203 ( 2.248 0.000 1.607) 2.763 24.817 ( -3.322 0.000 2.674) 4.264 24.859 ( 3.825 0.000 1.459) 4.094 25.046 ( -0.872 0.000 6.668) 6.725 25.272 ( 0.113 0.000 -4.748) 4.749 25.578 ( 1.285 0.000 3.781) 3.994 25.667 ( -1.311 0.000 0.643) 1.460 26.004 ( -3.820 0.000 7.914) 8.788 26.188 ( 12.364 0.000 5.459) 13.515 27.142 ( -1.261 0.000 3.552) 3.769 27.362 ( -8.970 0.000 -13.813) 16.470 27.617 ( -0.640 0.000 6.891) 6.921 27.955 ( -1.922 0.000 -10.181) 10.361 29.611 ( -1.579 0.000 4.018) 4.317 29.821 ( 2.008 0.000 -5.241) 5.613 30.532 ( 1.282 0.000 -1.245) 1.788 30.565 ( 1.053 0.000 -1.901) 2.173 ======================= Grid point 137 (69/104) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -16.645 0.000 23.234) 28.581 2.151 ( -18.682 0.000 20.395) 27.658 2.842 ( 3.741 0.000 1.603) 4.070 2.942 ( 8.196 0.000 0.513) 8.212 3.103 ( 3.318 0.000 7.201) 7.929 3.199 ( -0.557 0.000 10.273) 10.288 3.491 ( 9.995 0.000 6.230) 11.778 3.545 ( 3.546 0.000 18.765) 19.097 3.639 ( 5.118 0.000 -4.192) 6.616 3.721 ( 2.200 0.000 -16.388) 16.535 3.908 ( 5.687 0.000 7.799) 9.653 4.055 ( -0.656 0.000 -2.163) 2.260 4.135 ( -5.122 0.000 13.313) 14.264 4.232 ( -3.465 0.000 6.682) 7.527 4.438 ( -6.062 0.000 8.012) 10.047 4.465 ( -3.283 0.000 0.527) 3.325 4.729 ( 2.583 0.000 2.887) 3.874 4.957 ( -2.290 0.000 -3.548) 4.223 5.020 ( -2.333 0.000 2.271) 3.256 5.269 ( -7.141 0.000 1.061) 7.219 5.281 ( 9.591 0.000 -0.767) 9.622 5.422 ( 0.928 0.000 -3.881) 3.990 5.627 ( 12.094 0.000 -14.477) 18.864 5.755 ( 6.329 0.000 -9.387) 11.321 6.171 ( -3.480 0.000 4.856) 5.974 6.306 ( 1.230 0.000 -2.030) 2.374 6.490 ( 0.107 0.000 -7.883) 7.884 6.504 ( 2.875 0.000 -0.331) 2.894 6.628 ( 0.201 0.000 4.020) 4.025 7.080 ( -0.754 0.000 -9.455) 9.485 7.112 ( -7.731 0.000 -7.093) 10.492 7.147 ( 3.449 0.000 0.567) 3.496 7.528 ( -9.015 0.000 3.548) 9.688 7.583 ( -2.502 0.000 2.081) 3.255 7.626 ( -4.705 0.000 5.565) 7.287 7.861 ( 1.878 0.000 11.227) 11.383 7.896 ( -15.048 0.000 -8.174) 17.125 8.024 ( 7.418 0.000 -2.441) 7.809 8.257 ( -14.534 0.000 -2.070) 14.681 8.359 ( 9.003 0.000 5.684) 10.648 8.547 ( 1.881 0.000 11.584) 11.735 8.592 ( 4.666 0.000 -0.060) 4.667 8.762 ( 2.153 0.000 -0.005) 2.153 8.819 ( 0.715 0.000 -3.042) 3.125 8.921 ( 6.105 0.000 -13.415) 14.738 8.955 ( 1.331 0.000 -7.700) 7.814 9.302 ( -2.887 0.000 9.488) 9.917 9.678 ( 4.172 0.000 -12.764) 13.428 10.201 ( 5.108 0.000 7.278) 8.892 10.484 ( -6.799 0.000 -4.419) 8.109 10.684 ( 2.403 0.000 -1.060) 2.627 10.865 ( -1.497 0.000 2.851) 3.220 11.112 ( -9.403 0.000 -9.660) 13.481 11.247 ( 7.016 0.000 8.368) 10.920 11.612 ( -5.715 0.000 4.304) 7.154 11.625 ( -1.205 0.000 8.971) 9.051 12.036 ( -9.327 0.000 -11.433) 14.755 12.132 ( 4.346 0.000 -1.416) 4.570 12.393 ( 4.081 0.000 -7.159) 8.241 12.409 ( -2.177 0.000 -0.692) 2.285 12.596 ( 5.617 0.000 -3.271) 6.500 12.630 ( 18.277 0.000 -1.847) 18.370 13.449 ( -8.992 0.000 -15.308) 17.753 13.482 ( 7.188 0.000 5.774) 9.220 13.892 ( -10.536 0.000 -2.132) 10.750 14.126 ( 5.620 0.000 7.007) 8.982 14.172 ( 0.703 0.000 0.493) 0.859 14.228 ( 2.192 0.000 0.260) 2.207 14.722 ( -1.539 0.000 5.754) 5.956 14.829 ( -6.348 0.000 -6.841) 9.332 14.923 ( 10.363 0.000 12.037) 15.884 14.968 ( -1.541 0.000 -8.723) 8.858 15.793 ( -5.994 0.000 -7.185) 9.357 15.911 ( 9.307 0.000 6.144) 11.152 16.298 ( -4.010 0.000 2.263) 4.604 16.339 ( -0.423 0.000 4.897) 4.915 16.423 ( 2.024 0.000 2.458) 3.184 16.568 ( 1.719 0.000 -3.390) 3.801 17.111 ( -5.574 0.000 3.150) 6.402 17.212 ( -1.691 0.000 -0.599) 1.794 24.714 ( -7.395 0.000 2.435) 7.785 24.891 ( -1.196 0.000 -0.402) 1.262 25.097 ( 1.579 0.000 5.632) 5.850 25.258 ( 0.479 0.000 -2.111) 2.165 25.625 ( 1.219 0.000 4.159) 4.334 25.634 ( -1.468 0.000 -2.053) 2.524 25.953 ( -5.124 0.000 5.868) 7.790 26.425 ( 8.596 0.000 -9.045) 12.479 27.197 ( 3.815 0.000 6.154) 7.240 27.215 ( 2.441 0.000 1.436) 2.832 27.630 ( -2.277 0.000 7.934) 8.254 27.879 ( -1.035 0.000 -8.625) 8.687 29.589 ( -2.795 0.000 3.684) 4.624 29.809 ( -0.463 0.000 -5.091) 5.112 30.529 ( -0.705 0.000 -2.148) 2.261 30.576 ( 1.125 0.000 -2.119) 2.399 ======================= Grid point 138 (70/104) ======================= q-point: (-0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -12.594 0.000 27.788) 30.509 2.025 ( -8.011 0.000 29.548) 30.614 2.862 ( 0.574 0.000 -11.481) 11.495 3.094 ( 5.578 0.000 10.270) 11.687 3.216 ( 3.527 0.000 16.507) 16.879 3.288 ( 2.937 0.000 15.490) 15.766 3.593 ( -4.803 0.000 -4.489) 6.574 3.712 ( 8.048 0.000 1.613) 8.208 3.759 ( 7.567 0.000 -3.923) 8.523 3.869 ( 16.150 0.000 1.088) 16.187 4.012 ( -1.329 0.000 12.258) 12.330 4.040 ( 0.478 0.000 4.768) 4.792 4.150 ( -0.031 0.000 5.148) 5.148 4.251 ( 3.224 0.000 2.781) 4.257 4.351 ( -7.646 0.000 2.138) 7.939 4.448 ( 1.744 0.000 13.267) 13.382 4.769 ( 2.287 0.000 0.545) 2.351 4.877 ( -3.675 0.000 -7.025) 7.928 5.045 ( 0.925 0.000 5.945) 6.017 5.133 ( -7.209 0.000 3.533) 8.028 5.326 ( -4.844 0.000 5.497) 7.326 5.544 ( 15.061 0.000 -13.540) 20.252 5.733 ( 5.759 0.000 -10.375) 11.866 5.806 ( 3.900 0.000 -6.802) 7.841 6.086 ( -9.633 0.000 -7.046) 11.935 6.258 ( -3.490 0.000 -7.054) 7.870 6.408 ( 1.576 0.000 -1.881) 2.454 6.531 ( -1.012 0.000 -0.632) 1.193 6.724 ( 7.840 0.000 -4.572) 9.075 6.928 ( -8.199 0.000 -2.170) 8.481 6.990 ( -3.467 0.000 -9.277) 9.904 7.238 ( 5.944 0.000 -3.065) 6.687 7.412 ( -2.426 0.000 -1.477) 2.840 7.515 ( -4.613 0.000 1.522) 4.857 7.520 ( -12.058 0.000 1.974) 12.219 7.677 ( -2.274 0.000 6.289) 6.688 7.744 ( -19.021 0.000 0.432) 19.026 8.025 ( -0.584 0.000 3.842) 3.886 8.202 ( 4.372 0.000 2.366) 4.972 8.488 ( -7.364 0.000 -2.356) 7.731 8.512 ( 5.856 0.000 -3.560) 6.853 8.618 ( -1.151 0.000 -7.253) 7.344 8.784 ( -1.869 0.000 5.082) 5.415 8.952 ( 3.633 0.000 -2.907) 4.652 8.991 ( 15.171 0.000 4.257) 15.757 9.044 ( 8.707 0.000 -5.893) 10.514 9.275 ( -6.254 0.000 12.466) 13.947 9.670 ( 2.556 0.000 -18.928) 19.100 10.353 ( 6.717 0.000 6.163) 9.116 10.363 ( -5.542 0.000 6.121) 8.257 10.712 ( 3.168 0.000 -8.141) 8.736 10.837 ( -2.637 0.000 2.229) 3.453 10.916 ( -5.826 0.000 -9.207) 10.896 11.277 ( -13.201 0.000 3.604) 13.684 11.540 ( 3.478 0.000 1.662) 3.855 11.663 ( 0.511 0.000 9.052) 9.066 11.948 ( 2.515 0.000 4.918) 5.524 12.220 ( 4.606 0.000 1.724) 4.918 12.340 ( -4.346 0.000 -1.915) 4.749 12.443 ( 4.889 0.000 -7.849) 9.247 12.662 ( 4.287 0.000 -7.816) 8.915 12.956 ( 15.074 0.000 -8.101) 17.113 13.198 ( -7.072 0.000 -10.891) 12.986 13.535 ( -3.689 0.000 -3.614) 5.164 13.832 ( 2.650 0.000 11.042) 11.355 14.107 ( -3.071 0.000 -3.235) 4.461 14.156 ( -8.768 0.000 -1.308) 8.865 14.299 ( 4.605 0.000 8.492) 9.661 14.714 ( -3.171 0.000 3.830) 4.972 14.813 ( 7.591 0.000 -2.172) 7.896 14.855 ( -5.247 0.000 -9.638) 10.974 15.200 ( 10.034 0.000 8.448) 13.117 15.710 ( 3.452 0.000 -4.482) 5.657 16.118 ( 9.817 0.000 5.383) 11.196 16.188 ( -9.024 0.000 1.274) 9.113 16.385 ( 2.576 0.000 3.822) 4.609 16.480 ( 2.195 0.000 3.594) 4.211 16.605 ( 2.785 0.000 -0.265) 2.798 16.982 ( -9.282 0.000 2.533) 9.622 17.141 ( -4.363 0.000 -3.482) 5.582 24.611 ( -4.609 0.000 2.515) 5.250 24.813 ( -5.235 0.000 -3.649) 6.381 25.145 ( 0.326 0.000 5.435) 5.445 25.274 ( 0.910 0.000 3.286) 3.410 25.596 ( -1.253 0.000 -2.897) 3.157 25.648 ( -1.387 0.000 3.235) 3.519 25.903 ( -2.513 0.000 4.621) 5.260 26.324 ( -8.387 0.000 -13.324) 15.744 27.319 ( 4.668 0.000 8.259) 9.487 27.542 ( 25.922 0.000 2.279) 26.022 27.608 ( -5.089 0.000 9.027) 10.363 27.824 ( -0.233 0.000 -8.273) 8.276 29.556 ( -2.337 0.000 3.061) 3.851 29.753 ( -2.372 0.000 -5.187) 5.703 30.492 ( -2.188 0.000 -0.172) 2.195 30.582 ( 0.779 0.000 -2.566) 2.682 ======================= Grid point 139 (71/104) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -6.764 8.368 25.409) 27.594 2.191 ( 2.440 4.714 31.869) 32.308 2.829 ( 1.965 -0.180 -14.295) 14.431 3.088 ( 1.819 -7.957 2.601) 8.566 3.362 ( -11.916 6.636 14.010) 19.553 3.464 ( 7.627 6.583 -3.749) 10.750 3.639 ( -5.396 2.819 8.611) 10.546 3.721 ( 2.600 -5.386 -1.804) 6.247 3.836 ( -0.641 3.138 -5.423) 6.298 3.899 ( -7.793 -3.601 -7.903) 11.669 4.009 ( -1.008 -1.010 -0.970) 1.725 4.071 ( -0.686 1.389 7.484) 7.642 4.242 ( -3.044 4.395 3.254) 6.259 4.328 ( 6.916 3.339 -4.206) 8.756 4.525 ( -1.779 -1.391 11.113) 11.340 4.596 ( 5.369 10.806 21.865) 24.973 4.772 ( 1.785 0.530 2.544) 3.153 4.903 ( 6.525 -1.085 12.643) 14.269 5.109 ( -2.822 10.303 0.227) 10.685 5.152 ( 1.757 1.013 2.814) 3.469 5.330 ( -2.193 4.583 11.801) 12.848 5.643 ( -4.813 -1.362 -10.554) 11.679 5.763 ( 6.202 3.342 -12.688) 14.513 5.835 ( -3.630 3.828 -3.196) 6.168 5.950 ( 2.001 6.163 -9.847) 11.788 6.115 ( -4.682 1.757 -10.561) 11.685 6.476 ( 2.642 -0.778 -1.150) 2.985 6.530 ( 4.141 1.097 -3.616) 5.606 6.626 ( 1.645 -6.118 0.307) 6.343 6.840 ( -3.921 0.693 -4.358) 5.903 6.967 ( 1.244 1.174 -4.955) 5.242 7.152 ( -7.642 -4.942 -6.202) 11.013 7.327 ( -7.677 -5.099 2.168) 9.468 7.460 ( -1.787 4.670 -1.864) 5.336 7.553 ( -3.825 7.334 7.374) 11.081 7.613 ( 3.378 8.362 4.810) 10.221 7.880 ( 7.006 6.347 7.717) 12.203 8.050 ( 1.981 -0.683 5.982) 6.338 8.260 ( 7.072 -2.453 0.912) 7.540 8.341 ( -5.099 0.741 -7.377) 8.998 8.432 ( -6.853 -1.413 -7.582) 10.317 8.578 ( -1.819 -1.309 -7.369) 7.702 8.792 ( -0.639 -0.467 3.957) 4.035 8.966 ( 7.161 -3.013 1.002) 7.834 9.032 ( 0.502 -9.427 -0.257) 9.444 9.170 ( 3.272 0.147 0.019) 3.276 9.262 ( -2.700 -0.772 -2.180) 3.555 9.617 ( 2.843 0.484 -14.435) 14.720 10.317 ( -3.308 -0.767 12.890) 13.330 10.510 ( -4.258 5.086 6.056) 8.982 10.733 ( 4.960 2.080 -6.472) 8.415 10.786 ( 5.905 -5.724 -2.818) 8.694 10.831 ( -1.254 0.391 -3.591) 3.824 10.998 ( -7.932 -2.274 -3.299) 8.887 11.441 ( -0.018 -13.226 13.687) 19.033 11.781 ( 7.940 -1.424 -0.219) 8.069 12.098 ( -5.226 1.673 4.035) 6.811 12.174 ( 0.799 -4.746 -3.961) 6.233 12.346 ( 5.588 0.026 0.717) 5.634 12.480 ( -3.929 4.029 -3.085) 6.418 12.704 ( 4.429 1.557 -7.890) 9.181 12.929 ( -7.763 7.118 -14.602) 18.004 13.155 ( 5.564 -10.256 1.476) 11.761 13.422 ( -2.514 -3.615 -9.952) 10.883 13.889 ( -4.370 1.127 6.275) 7.729 14.054 ( 3.315 0.540 7.180) 7.926 14.096 ( -0.505 1.697 4.268) 4.621 14.393 ( 2.479 -1.881 4.995) 5.885 14.565 ( -0.913 -4.618 -0.880) 4.789 14.712 ( -4.422 -1.690 -9.262) 10.401 14.965 ( 8.958 -3.155 6.918) 11.750 15.281 ( -8.029 4.309 -7.598) 11.864 15.866 ( 10.812 -1.184 7.924) 13.457 16.110 ( -3.330 5.144 -5.245) 8.066 16.330 ( 5.047 2.244 3.411) 6.492 16.448 ( 0.230 1.111 -2.210) 2.485 16.564 ( 0.930 1.092 3.823) 4.083 16.627 ( 1.652 0.006 1.862) 2.489 16.853 ( -4.990 1.351 3.001) 5.977 17.023 ( -3.362 -2.006 -4.204) 5.745 24.599 ( 0.426 1.320 2.874) 3.192 24.711 ( -3.133 0.349 -2.586) 4.077 25.168 ( -1.742 0.329 5.895) 6.155 25.303 ( 1.854 -1.317 4.578) 5.112 25.560 ( -1.559 -0.103 -0.228) 1.579 25.615 ( -2.359 0.452 1.101) 2.642 25.879 ( -0.039 -3.481 5.147) 6.214 26.063 ( -5.008 -4.833 -3.533) 7.805 27.423 ( -5.000 -5.339 9.089) 11.667 27.447 ( 3.170 -2.487 4.376) 5.948 27.681 ( 4.725 -11.198 -3.570) 12.668 27.849 ( 6.305 -4.940 -8.131) 11.414 29.599 ( -3.076 2.478 0.225) 3.957 29.747 ( 4.154 2.979 -6.886) 8.576 30.579 ( -1.873 12.358 2.018) 12.661 30.729 ( 1.791 11.117 -4.518) 12.133 ======================= Grid point 140 (72/104) ======================= q-point: ( 0.17 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 4.841 2.503 24.847) 25.437 2.441 ( 5.408 3.134 29.258) 29.918 2.845 ( 5.696 -0.939 -11.742) 13.084 2.988 ( -10.856 -0.926 -8.867) 14.048 3.113 ( -15.179 -0.232 5.113) 16.019 3.438 ( -13.291 3.174 6.604) 15.177 3.541 ( -12.567 4.277 -2.023) 13.428 3.667 ( 1.952 1.013 4.995) 5.458 3.766 ( -2.417 -2.018 -7.128) 7.792 3.896 ( 7.974 -2.596 6.109) 10.376 4.012 ( -3.445 1.364 -1.106) 3.867 4.068 ( -2.346 2.119 4.621) 5.599 4.208 ( -2.565 -4.206 4.106) 6.414 4.435 ( 5.248 4.302 0.157) 6.787 4.475 ( -2.875 4.072 -1.175) 5.121 4.723 ( -5.737 0.446 10.390) 11.877 4.856 ( -1.658 12.536 10.239) 16.271 5.045 ( 1.024 5.949 3.538) 6.996 5.069 ( 2.253 -6.459 14.753) 16.261 5.192 ( 0.004 1.958 -6.317) 6.614 5.386 ( -2.085 4.269 -3.359) 5.819 5.460 ( 2.765 6.914 4.841) 8.882 5.715 ( -2.594 11.363 -15.087) 19.064 5.740 ( -6.652 0.712 -4.490) 8.057 5.967 ( -2.613 -0.736 -5.070) 5.751 6.082 ( 7.895 3.339 -6.008) 10.468 6.443 ( -0.942 4.045 -3.679) 5.548 6.614 ( 2.090 -1.308 -2.342) 3.401 6.677 ( 0.482 1.269 5.436) 5.603 6.791 ( 4.923 -0.755 -5.811) 7.653 6.957 ( 0.242 2.881 7.831) 8.347 7.063 ( 2.303 -3.644 -8.161) 9.229 7.270 ( -1.244 -1.545 2.103) 2.891 7.498 ( 6.813 -1.555 3.180) 7.678 7.566 ( 1.371 1.090 4.291) 4.635 7.724 ( 4.225 2.586 6.320) 8.030 8.007 ( -3.143 3.844 2.424) 5.526 8.114 ( 0.570 -0.269 6.157) 6.190 8.154 ( 1.255 9.129 -5.485) 10.724 8.250 ( -7.027 -1.984 -5.905) 9.391 8.467 ( 5.366 -4.742 -5.721) 9.166 8.607 ( 10.175 1.507 -1.741) 10.433 8.755 ( -6.126 -3.997 3.976) 8.325 8.961 ( -4.815 -8.865 -1.168) 10.156 9.045 ( -3.124 0.760 -4.584) 5.600 9.169 ( 1.545 1.837 -3.964) 4.634 9.210 ( 2.151 -1.534 -5.093) 5.738 9.653 ( 3.867 -2.690 -4.885) 6.786 10.322 ( -3.751 1.294 9.092) 9.920 10.407 ( -5.935 3.950 5.931) 9.274 10.785 ( 4.425 4.700 -6.565) 9.207 10.796 ( -1.033 -0.263 -0.087) 1.069 10.887 ( 0.337 -3.578 -3.934) 5.328 11.026 ( 13.655 -5.001 2.704) 14.792 11.507 ( 0.718 -14.765 8.707) 17.156 11.877 ( -0.546 0.622 -7.325) 7.372 11.949 ( -4.431 -8.293 1.044) 9.461 12.143 ( -7.679 -1.460 1.338) 7.930 12.355 ( -3.955 -1.763 -5.238) 6.796 12.447 ( 3.221 2.356 4.061) 5.694 12.729 ( -5.532 10.920 -12.132) 17.235 12.772 ( 4.692 5.610 -1.227) 7.416 13.251 ( 2.192 -8.794 -0.594) 9.083 13.363 ( 3.765 -7.512 -8.036) 11.627 13.836 ( -3.072 2.368 7.304) 8.270 14.130 ( 4.862 2.200 0.272) 5.344 14.203 ( 1.626 -0.165 13.778) 13.874 14.321 ( -7.022 -1.714 -4.239) 8.380 14.570 ( -2.494 -1.128 -5.316) 5.980 14.697 ( 8.364 -4.143 1.273) 9.421 14.951 ( -10.498 -4.586 -4.411) 12.276 15.309 ( 11.370 2.226 3.119) 11.998 15.762 ( -14.366 6.833 -4.268) 16.471 16.205 ( 7.061 2.569 -0.464) 7.528 16.321 ( -5.371 -1.429 -2.302) 6.016 16.460 ( 0.304 -1.790 -0.802) 1.985 16.572 ( -3.071 0.372 1.995) 3.681 16.629 ( 0.326 4.859 -1.972) 5.254 16.893 ( 5.514 2.022 7.688) 9.674 17.011 ( 3.758 -2.144 -0.924) 4.424 24.664 ( 4.364 0.981 3.499) 5.679 24.696 ( 2.510 0.755 -0.703) 2.714 25.144 ( -4.199 -0.075 5.859) 7.209 25.338 ( 0.151 0.078 -0.070) 0.183 25.537 ( -1.728 -1.116 3.798) 4.319 25.601 ( 0.272 1.116 2.661) 2.898 25.905 ( -0.385 -5.044 5.728) 7.642 25.991 ( -1.470 -1.751 -0.562) 2.354 27.306 ( -9.160 -5.270 4.551) 11.506 27.525 ( 1.880 -0.533 5.341) 5.687 27.689 ( -0.932 -2.763 -6.230) 6.879 27.924 ( 5.324 -14.874 -10.886) 19.186 29.550 ( -2.082 0.617 2.200) 3.091 29.792 ( 4.214 1.865 -7.618) 8.903 30.558 ( -1.667 11.387 3.307) 11.974 30.748 ( 2.724 12.219 -5.036) 13.494 ======================= Grid point 141 (73/104) ======================= q-point: ( 0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 6.330 -2.664 16.187) 17.584 2.574 ( -13.300 -8.556 16.840) 23.101 2.716 ( -2.233 2.894 8.465) 9.220 2.822 ( -5.175 8.753 2.064) 10.376 3.055 ( 7.405 0.763 -5.735) 9.397 3.194 ( -15.375 -0.490 7.065) 16.928 3.355 ( -5.562 14.399 -2.078) 15.575 3.691 ( -0.897 -4.968 -5.526) 7.485 3.724 ( 1.825 -3.739 -0.551) 4.197 3.820 ( -11.341 3.804 -6.979) 13.849 4.015 ( -2.781 9.905 7.053) 12.474 4.083 ( 2.326 -4.497 3.293) 6.040 4.215 ( -2.317 -0.956 13.713) 13.940 4.422 ( -5.031 7.375 0.808) 8.964 4.532 ( 4.148 5.007 1.959) 6.791 4.560 ( -8.283 1.029 -4.775) 9.616 4.769 ( -4.842 8.393 5.619) 11.201 5.085 ( -4.832 -4.957 9.136) 11.463 5.127 ( 2.806 7.692 -6.200) 10.271 5.258 ( 5.952 -0.787 6.933) 9.171 5.357 ( -8.837 6.760 5.003) 12.199 5.465 ( -4.845 0.557 -8.865) 10.118 5.577 ( 1.441 4.079 -5.012) 6.621 5.636 ( 3.435 8.926 -14.208) 17.127 5.995 ( 3.757 -4.639 6.016) 8.475 6.114 ( 0.131 -0.338 -0.984) 1.049 6.436 ( -0.374 3.616 0.523) 3.672 6.578 ( -1.069 2.862 -0.730) 3.141 6.727 ( 0.752 5.871 3.156) 6.708 6.926 ( 10.223 -2.538 -1.938) 10.710 7.087 ( 2.595 -1.126 -2.764) 3.955 7.142 ( 10.063 -2.046 9.027) 13.672 7.292 ( 4.006 -3.945 -4.013) 6.908 7.540 ( -1.378 -0.473 1.721) 2.255 7.721 ( 5.731 -6.842 4.833) 10.150 7.825 ( 2.300 3.607 7.820) 8.914 7.892 ( -2.503 6.510 -4.462) 8.280 8.059 ( -1.825 1.057 -1.468) 2.569 8.186 ( 0.520 0.312 8.600) 8.621 8.270 ( 5.144 1.379 -4.871) 7.217 8.512 ( 1.281 -0.501 3.479) 3.741 8.615 ( -7.232 -5.899 -2.250) 9.600 8.722 ( -0.751 -2.600 -1.910) 3.313 8.892 ( -1.989 -2.266 -3.452) 4.583 8.930 ( -2.400 -0.198 -7.849) 8.210 9.145 ( 1.735 -0.951 -11.234) 11.407 9.295 ( 4.837 2.560 0.563) 5.502 9.675 ( 1.214 -1.504 -2.909) 3.493 10.208 ( -8.613 5.474 6.598) 12.153 10.458 ( 4.652 -0.599 3.445) 5.819 10.778 ( -1.418 1.236 -3.695) 4.147 10.811 ( 0.455 -0.167 0.712) 0.861 10.919 ( 5.371 0.291 0.242) 5.385 11.303 ( 10.840 -7.302 7.028) 14.840 11.526 ( -3.629 -7.107 -2.772) 8.448 11.735 ( -1.587 -9.865 -4.640) 11.017 11.922 ( -12.062 -4.535 0.855) 12.915 11.977 ( 1.305 -6.784 -2.314) 7.286 12.329 ( 1.258 -0.129 0.841) 1.519 12.499 ( 0.779 3.959 1.195) 4.208 12.611 ( -0.896 10.783 -8.462) 13.736 12.800 ( -2.435 8.069 -1.677) 8.594 13.250 ( 3.209 -1.833 -5.311) 6.470 13.483 ( 8.419 -8.995 0.805) 12.346 13.877 ( 1.670 -3.973 7.262) 8.445 14.113 ( -7.658 -0.172 -6.470) 10.027 14.202 ( 1.932 1.770 0.331) 2.641 14.284 ( -3.678 0.454 6.713) 7.668 14.539 ( 1.922 -5.360 -0.543) 5.720 14.742 ( -7.196 -1.970 -3.712) 8.334 14.856 ( 7.196 -5.502 -0.714) 9.086 15.420 ( -12.498 -0.727 -1.291) 12.585 15.581 ( 9.196 11.570 -1.259) 14.833 16.157 ( -7.739 -0.400 -4.775) 9.103 16.295 ( 0.497 1.773 4.689) 5.038 16.436 ( -4.545 -0.322 2.049) 4.996 16.468 ( -2.417 1.326 -3.964) 4.828 16.648 ( 1.418 5.062 -5.031) 7.277 17.049 ( 5.610 0.458 6.801) 8.828 17.114 ( 5.669 -0.782 1.857) 6.016 24.763 ( 5.078 0.294 1.400) 5.275 24.792 ( 5.560 1.585 3.264) 6.639 25.076 ( -6.043 -0.720 5.504) 8.206 25.311 ( -1.420 0.553 -3.953) 4.237 25.541 ( -0.035 -0.729 4.078) 4.143 25.638 ( 0.690 -1.017 4.479) 4.645 25.940 ( 1.927 -6.028 5.544) 8.414 25.984 ( -0.914 -2.290 3.312) 4.129 27.177 ( -5.957 -2.504 2.794) 7.040 27.544 ( -3.475 -1.156 -3.374) 4.979 27.622 ( -0.666 1.068 -2.051) 2.407 27.920 ( 0.362 -11.609 -8.536) 14.414 29.552 ( 0.324 -1.606 3.571) 3.929 29.812 ( 2.324 -0.890 -7.906) 8.288 30.554 ( -0.886 10.037 3.946) 10.822 30.770 ( 2.694 12.561 -6.042) 14.197 ======================= Grid point 142 (74/104) ======================= q-point: (-0.50 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -16.960 -1.690 14.997) 22.702 2.599 ( -5.004 -3.491 13.200) 14.542 2.645 ( -13.033 8.281 13.517) 20.522 2.931 ( 12.508 -2.365 11.671) 17.270 3.005 ( -1.814 2.891 -2.265) 4.097 3.258 ( 9.963 1.760 2.681) 10.466 3.294 ( 0.592 18.957 -2.851) 19.179 3.575 ( -4.322 -7.223 -6.905) 10.887 3.734 ( 4.446 7.898 -4.259) 10.014 3.753 ( -0.233 1.274 -0.779) 1.511 3.969 ( -4.330 10.480 4.099) 12.057 4.026 ( -4.818 -0.061 -7.560) 8.965 4.249 ( -1.875 -1.314 11.646) 11.869 4.298 ( -6.699 7.381 6.764) 12.046 4.482 ( -2.985 4.319 1.879) 5.576 4.587 ( 1.331 -1.375 5.724) 6.035 4.795 ( -0.319 11.290 9.099) 14.504 5.033 ( -2.473 -5.697 1.372) 6.360 5.088 ( -13.649 4.995 7.992) 16.586 5.159 ( 1.641 -0.623 -5.466) 5.741 5.302 ( -0.393 1.434 -5.189) 5.398 5.457 ( 2.305 2.062 1.169) 3.306 5.578 ( 4.179 9.206 -10.721) 14.736 5.722 ( 9.966 3.222 -12.450) 16.270 6.096 ( 0.704 -5.416 5.075) 7.456 6.143 ( 2.950 -8.279 6.562) 10.968 6.414 ( -1.184 1.122 2.652) 3.114 6.605 ( 3.208 7.554 -4.129) 9.187 6.738 ( -1.222 5.914 2.298) 6.462 7.037 ( 2.901 -4.100 -4.588) 6.802 7.097 ( 0.282 -0.602 -0.534) 0.853 7.262 ( -2.311 -2.454 -11.313) 11.805 7.354 ( 5.059 -11.368 9.407) 15.598 7.584 ( 2.561 -4.392 3.116) 5.963 7.745 ( -1.038 3.946 3.709) 5.514 7.840 ( -0.014 4.190 -1.170) 4.351 7.872 ( -1.537 3.209 5.710) 6.728 8.183 ( 4.747 0.519 1.670) 5.058 8.234 ( -1.449 -1.342 -1.117) 2.269 8.294 ( 5.602 -0.107 11.418) 12.719 8.453 ( -10.783 -7.159 -4.576) 13.728 8.562 ( 1.169 0.326 4.583) 4.741 8.693 ( 4.205 0.531 -2.175) 4.764 8.810 ( -3.572 -0.505 -3.356) 4.927 8.900 ( 2.354 -4.253 -9.437) 10.615 9.090 ( -1.368 3.204 -15.157) 15.552 9.363 ( 1.376 5.067 3.767) 6.462 9.681 ( 2.150 0.115 -6.561) 6.905 10.140 ( -2.648 2.898 8.179) 9.073 10.551 ( 5.101 -1.334 -5.954) 7.953 10.691 ( -6.583 0.936 4.479) 8.017 10.836 ( 0.761 -1.556 1.599) 2.357 11.059 ( 7.965 0.084 2.968) 8.500 11.329 ( -10.481 -1.665 -7.693) 13.108 11.432 ( -1.389 -12.322 7.455) 14.468 11.703 ( -5.673 -1.980 1.612) 6.221 11.899 ( 11.384 -11.678 -2.330) 16.474 11.988 ( 1.401 -7.210 -3.558) 8.162 12.353 ( -1.168 -0.697 1.527) 2.045 12.522 ( 5.126 5.923 -6.456) 10.151 12.619 ( 4.490 8.956 -2.455) 10.315 12.678 ( -6.857 9.010 -5.416) 12.551 13.345 ( 7.020 1.424 2.723) 7.663 13.613 ( 2.547 -4.146 -3.341) 5.903 13.872 ( -0.917 -6.890 0.661) 6.982 14.024 ( -2.870 -3.987 -0.176) 4.915 14.171 ( -6.429 -1.329 -1.308) 6.694 14.215 ( 0.331 1.879 -1.766) 2.600 14.580 ( -0.511 -12.458 5.051) 13.453 14.716 ( 3.859 3.227 4.800) 6.953 14.959 ( 5.637 -2.813 -2.459) 6.762 15.149 ( -12.286 4.111 -7.016) 14.734 15.780 ( 9.392 6.796 3.664) 12.158 15.984 ( -7.962 1.256 -5.477) 9.745 16.294 ( -5.191 -0.503 7.896) 9.463 16.363 ( -0.332 2.064 2.511) 3.268 16.469 ( 2.176 2.918 -3.288) 4.906 16.622 ( -0.398 4.350 -6.825) 8.104 17.137 ( 0.198 -0.275 4.714) 4.726 17.203 ( 2.603 -0.081 1.174) 2.856 24.830 ( -2.544 1.101 3.032) 4.108 24.881 ( 3.246 2.057 1.350) 4.074 25.030 ( -0.228 -1.487 6.208) 6.388 25.259 ( -1.316 -1.255 -5.122) 5.435 25.576 ( 1.248 -0.353 4.016) 4.220 25.649 ( -1.061 -1.491 1.224) 2.202 25.966 ( -3.478 -3.507 5.291) 7.238 26.057 ( 7.116 -10.568 4.921) 13.658 27.137 ( -0.271 0.153 4.063) 4.075 27.382 ( -7.310 1.850 -9.861) 12.414 27.643 ( 0.299 1.303 4.933) 5.111 27.870 ( -1.075 -7.435 -6.513) 9.943 29.583 ( 0.709 -1.328 3.494) 3.805 29.801 ( 1.058 -2.819 -7.727) 8.293 30.565 ( -0.184 9.213 3.828) 9.978 30.780 ( 1.970 12.110 -7.043) 14.147 ======================= Grid point 143 (75/104) ======================= q-point: (-0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -13.179 2.143 23.566) 27.086 2.347 ( -19.102 13.462 19.967) 30.738 2.713 ( 6.019 -3.313 5.532) 8.821 3.026 ( 1.116 -2.007 -0.440) 2.338 3.209 ( 9.381 6.908 5.917) 13.066 3.364 ( 3.381 16.613 6.019) 17.990 3.412 ( 9.259 -1.140 1.258) 9.414 3.494 ( 1.087 -6.942 -7.431) 10.227 3.760 ( 4.098 5.679 -0.467) 7.019 3.839 ( 4.813 13.525 0.650) 14.371 3.938 ( 3.156 -0.118 -1.889) 3.680 3.993 ( 2.599 -2.169 -0.574) 3.433 4.235 ( -4.060 3.781 7.162) 9.060 4.257 ( -3.229 4.733 11.848) 13.161 4.421 ( -7.487 7.878 11.805) 16.046 4.642 ( 0.093 -0.679 -0.825) 1.072 4.761 ( -5.624 10.566 8.820) 14.868 4.900 ( -6.180 -3.118 -0.269) 6.927 5.071 ( -0.469 -0.816 7.864) 7.920 5.225 ( 6.041 -7.446 -7.125) 11.946 5.270 ( 2.835 6.745 -1.630) 7.496 5.456 ( -2.736 5.710 -0.047) 6.332 5.662 ( 9.855 2.959 -9.695) 14.137 5.822 ( 7.094 4.528 -10.797) 13.690 6.093 ( -1.698 -6.449 4.372) 7.974 6.208 ( -0.105 -9.188 0.128) 9.189 6.451 ( 3.979 -0.122 -0.193) 3.985 6.584 ( -3.939 6.218 -3.452) 8.130 6.709 ( -2.415 2.335 -1.561) 3.704 6.997 ( -3.491 -1.702 -3.383) 5.151 7.121 ( 1.365 -1.158 -6.140) 6.395 7.168 ( 0.811 0.752 -5.277) 5.392 7.424 ( 0.138 -7.127 5.171) 8.806 7.568 ( -5.873 -1.534 4.851) 7.771 7.757 ( -1.494 6.975 3.777) 8.071 7.789 ( -5.136 -4.110 -2.739) 7.126 7.935 ( 1.159 1.308 5.589) 5.856 8.030 ( -6.761 1.045 -0.970) 6.910 8.178 ( -13.448 -5.792 -3.100) 14.967 8.405 ( 8.901 2.121 0.189) 9.152 8.482 ( 4.661 -2.626 12.699) 13.779 8.625 ( 4.746 0.247 0.916) 4.840 8.726 ( -2.347 -4.146 -2.370) 5.322 8.828 ( 5.755 -0.045 2.268) 6.185 8.887 ( 1.867 0.605 -10.880) 11.056 8.980 ( 0.755 2.485 -13.413) 13.662 9.377 ( -2.969 5.210 6.070) 8.533 9.687 ( 3.645 0.214 -11.211) 11.791 10.186 ( 2.422 -0.598 8.051) 8.429 10.523 ( -3.637 3.127 -4.088) 6.302 10.663 ( 0.937 -1.497 2.031) 2.692 10.840 ( -1.033 -2.046 0.782) 2.422 11.085 ( -9.160 -2.375 -7.139) 11.854 11.232 ( 5.175 -1.309 7.443) 9.159 11.404 ( -4.586 -15.243 5.137) 16.726 11.635 ( -3.436 1.624 1.414) 4.055 11.972 ( 0.329 -3.133 0.469) 3.185 12.105 ( 10.688 -10.257 -9.490) 17.593 12.322 ( -0.950 0.417 -1.119) 1.526 12.520 ( -2.633 8.303 -5.163) 10.126 12.633 ( 5.252 3.873 -4.624) 7.998 12.752 ( 10.686 6.882 -1.160) 12.763 13.423 ( -5.679 -2.056 -7.299) 9.474 13.564 ( 3.905 5.022 -0.721) 6.403 13.864 ( -7.699 -1.159 -2.913) 8.313 13.993 ( 5.773 -10.094 6.008) 13.089 14.143 ( 1.973 -2.938 3.070) 4.685 14.184 ( -3.235 -4.303 -1.799) 5.676 14.622 ( 0.750 -7.425 8.691) 11.455 14.815 ( 4.302 -4.626 -2.603) 6.833 14.908 ( -8.955 4.925 -6.672) 12.205 15.089 ( 8.734 5.317 6.387) 12.057 15.799 ( -8.488 0.827 -6.205) 10.547 15.965 ( 8.162 4.492 4.174) 10.209 16.250 ( -2.509 0.403 6.850) 7.306 16.418 ( 2.546 0.579 5.513) 6.100 16.479 ( 0.147 5.866 -3.922) 7.058 16.587 ( 0.861 2.628 -5.077) 5.782 17.105 ( -5.529 -0.578 2.782) 6.216 17.211 ( -1.833 -0.244 -1.006) 2.105 24.728 ( -7.454 1.287 2.373) 7.928 24.910 ( -1.584 1.717 -0.493) 2.388 25.094 ( 2.133 -0.284 5.797) 6.183 25.224 ( 0.069 -3.241 -2.103) 3.864 25.614 ( -0.061 -1.199 1.351) 1.807 25.632 ( -0.073 -0.094 1.259) 1.265 25.914 ( -4.337 -3.490 4.058) 6.889 26.204 ( 5.367 -16.478 -1.221) 17.373 27.193 ( 2.651 -0.068 6.042) 6.599 27.259 ( -0.041 3.893 -1.447) 4.153 27.663 ( -1.296 0.163 5.177) 5.339 27.824 ( -0.240 -3.901 -5.479) 6.731 29.608 ( 0.530 1.186 1.836) 2.249 29.775 ( 0.300 -2.964 -6.946) 7.558 30.583 ( 0.141 9.397 2.907) 9.837 30.767 ( 0.662 11.700 -7.182) 13.744 ======================= Grid point 144 (76/104) ======================= q-point: (-0.17 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -6.492 5.571 28.503) 29.759 2.153 ( -14.068 11.646 23.227) 29.547 2.875 ( 6.461 1.129 -4.423) 7.910 2.974 ( -1.499 -7.366 3.161) 8.155 3.332 ( 3.659 9.455 4.526) 11.103 3.446 ( 0.581 10.669 3.813) 11.344 3.562 ( 7.904 -4.157 1.873) 9.124 3.635 ( 9.280 -4.707 0.074) 10.406 3.837 ( 1.685 6.755 0.991) 7.033 3.926 ( 2.535 -2.578 -3.998) 5.391 4.024 ( 5.641 0.786 -0.675) 5.735 4.063 ( 2.305 5.544 5.398) 8.074 4.214 ( -0.142 3.326 6.273) 7.102 4.338 ( -3.552 8.654 7.231) 11.823 4.353 ( 2.477 6.933 17.125) 18.641 4.534 ( -6.922 3.757 4.097) 8.878 4.767 ( -0.617 1.265 5.282) 5.466 4.815 ( -1.806 -3.696 -0.408) 4.134 5.100 ( -0.399 2.190 6.201) 6.589 5.181 ( -3.589 4.965 0.063) 6.127 5.380 ( -5.279 7.052 2.471) 9.149 5.484 ( 15.834 -4.779 -5.825) 17.536 5.758 ( 5.033 1.607 -10.935) 12.144 5.875 ( 2.285 5.640 -4.482) 7.557 6.117 ( -6.125 1.059 -6.617) 9.078 6.138 ( 3.910 -9.562 -1.802) 10.486 6.439 ( -3.472 2.728 -4.959) 6.640 6.552 ( 2.019 2.023 -0.077) 2.859 6.623 ( -2.869 -5.695 -4.676) 7.907 6.911 ( -4.408 0.492 -0.531) 4.467 7.038 ( -2.402 0.757 -10.824) 11.113 7.240 ( 3.849 0.254 -3.741) 5.373 7.454 ( -3.917 -1.538 -0.648) 4.257 7.478 ( -1.162 0.907 4.452) 4.690 7.640 ( -9.210 0.627 5.495) 10.743 7.657 ( -8.258 7.957 -1.849) 11.615 7.838 ( -8.261 6.239 5.650) 11.793 8.000 ( 0.720 -1.824 0.942) 2.175 8.112 ( 4.589 -6.734 3.088) 8.715 8.496 ( -4.270 1.978 -0.246) 4.712 8.518 ( 1.825 -0.952 -5.575) 5.943 8.668 ( -2.771 0.260 -3.815) 4.723 8.742 ( 3.772 -5.305 2.691) 7.043 8.871 ( 1.798 -2.406 -2.046) 3.634 8.928 ( 8.174 -1.953 -0.463) 8.417 9.051 ( 8.321 -0.626 -3.329) 8.984 9.325 ( -5.329 2.579 5.566) 8.126 9.678 ( 2.185 -0.001 -16.510) 16.654 10.278 ( 1.496 -2.126 9.380) 9.733 10.483 ( 0.165 6.158 4.998) 7.933 10.689 ( 2.699 -1.631 -4.953) 5.872 10.807 ( -2.748 -2.374 -0.505) 3.666 10.904 ( -4.848 -0.998 -7.962) 9.375 11.228 ( -12.782 -5.425 -0.170) 13.887 11.367 ( 0.323 -11.076 12.598) 16.778 11.643 ( 5.416 0.682 -0.046) 5.459 12.034 ( 4.029 3.114 5.955) 7.835 12.203 ( 4.875 -8.419 -7.778) 12.455 12.293 ( -0.868 0.185 -2.653) 2.797 12.501 ( 1.371 7.499 -1.066) 7.697 12.682 ( 3.508 1.191 -8.304) 9.093 12.962 ( 11.158 -0.117 -2.697) 11.480 13.203 ( -9.180 0.552 -11.863) 15.011 13.542 ( -4.785 -0.151 -8.196) 9.492 13.858 ( 3.319 2.588 10.022) 10.870 14.017 ( -3.440 -5.585 -0.152) 6.562 14.132 ( -1.902 -5.264 3.001) 6.351 14.270 ( 5.989 -1.314 6.765) 9.130 14.621 ( -3.789 -6.828 2.907) 8.332 14.808 ( 0.615 0.094 -1.042) 1.214 14.826 ( 0.741 -2.310 -8.063) 8.420 15.354 ( 9.625 11.540 9.250) 17.646 15.635 ( -1.363 -5.504 -3.745) 6.795 16.127 ( 5.939 0.397 4.290) 7.338 16.256 ( -0.895 5.393 3.383) 6.429 16.446 ( 0.248 3.925 -2.599) 4.714 16.497 ( 2.698 2.046 4.091) 5.310 16.601 ( 1.586 0.210 -0.976) 1.874 16.980 ( -8.449 -0.334 1.687) 8.622 17.132 ( -4.998 -1.061 -3.380) 6.126 24.624 ( -4.525 1.301 2.361) 5.267 24.820 ( -5.816 0.510 -3.569) 6.843 25.149 ( 0.433 0.358 5.667) 5.694 25.245 ( 1.545 -2.467 3.538) 4.581 25.591 ( -1.084 -0.475 -1.939) 2.272 25.644 ( -1.130 -0.306 2.514) 2.773 25.870 ( -2.110 -2.973 3.946) 5.372 26.187 ( -4.171 -11.612 -6.061) 13.747 27.327 ( 7.732 -4.780 2.797) 9.511 27.348 ( 5.540 -2.308 10.046) 11.702 27.647 ( -1.539 -4.878 1.287) 5.275 27.812 ( 1.749 0.296 -4.317) 4.668 29.624 ( 0.427 3.484 -0.085) 3.511 29.741 ( 0.234 -0.672 -6.343) 6.382 30.594 ( -0.550 11.083 1.720) 11.229 30.737 ( 0.210 11.170 -5.674) 12.530 ======================= Grid point 145 (77/104) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -13.495 12.302 17.022) 24.964 2.403 ( 5.929 15.461 21.293) 26.974 2.808 ( 0.394 -0.806 -10.140) 10.180 3.049 ( 4.544 2.749 -5.818) 7.877 3.341 ( -14.303 -8.400 7.684) 18.280 3.502 ( 6.279 -5.019 -2.192) 8.332 3.593 ( 5.082 -11.395 0.092) 12.477 3.616 ( 1.182 -3.988 -1.838) 4.547 3.767 ( -9.691 1.508 -0.724) 9.834 3.950 ( -1.346 1.592 -10.921) 11.118 4.030 ( -2.743 1.183 0.140) 2.991 4.104 ( -5.247 5.952 0.403) 7.944 4.357 ( -2.455 1.297 1.990) 3.416 4.394 ( 0.960 3.951 -5.089) 6.514 4.588 ( -6.030 8.051 13.585) 16.904 4.769 ( 7.903 -0.236 3.715) 8.735 4.875 ( 4.962 7.969 12.128) 15.337 4.977 ( 0.488 14.077 19.785) 24.287 5.224 ( 2.765 4.103 4.409) 6.627 5.302 ( -0.338 4.692 4.170) 6.286 5.456 ( -6.996 5.335 7.473) 11.544 5.593 ( 4.610 3.497 2.500) 6.303 5.807 ( -4.015 2.894 -5.934) 7.727 5.997 ( 11.280 7.526 1.590) 13.653 6.076 ( 2.038 4.198 -10.490) 11.481 6.215 ( -2.756 6.092 -1.909) 6.954 6.383 ( 4.047 -4.027 -1.400) 5.878 6.532 ( 5.060 -1.378 -2.520) 5.818 6.584 ( -2.214 2.061 -6.862) 7.499 6.866 ( -3.108 -0.930 -12.222) 12.646 6.998 ( 5.256 2.732 -0.786) 5.975 7.036 ( -5.629 -8.153 5.461) 11.313 7.282 ( -10.909 3.633 -0.786) 11.525 7.545 ( 1.380 1.982 -2.683) 3.610 7.674 ( -6.703 2.126 8.727) 11.208 7.765 ( -2.367 3.457 2.953) 5.126 7.929 ( 3.520 -1.006 9.657) 10.328 8.051 ( 7.706 0.888 2.867) 8.270 8.225 ( 7.632 3.705 2.673) 8.895 8.337 ( -6.797 -4.664 -7.186) 10.936 8.411 ( 1.687 -4.338 -6.893) 8.317 8.537 ( -5.639 2.427 -0.608) 6.169 8.700 ( 3.749 -4.305 -3.022) 6.460 8.861 ( -2.277 -5.606 -5.752) 8.348 9.048 ( 3.202 5.903 1.702) 6.928 9.094 ( 3.653 -4.854 0.840) 6.133 9.256 ( -1.706 -0.275 -6.733) 6.951 9.573 ( 0.111 -5.046 -12.657) 13.626 10.314 ( -2.269 0.371 12.078) 12.295 10.600 ( 2.211 1.475 3.310) 4.245 10.619 ( -2.654 -5.886 2.487) 6.919 10.797 ( 4.527 0.313 -5.272) 6.957 10.870 ( -1.264 3.119 -4.185) 5.370 10.998 ( -1.407 4.847 -4.667) 6.875 11.187 ( -3.204 -10.160 12.838) 16.682 11.704 ( 2.985 -5.517 -8.750) 10.767 12.025 ( 3.654 -6.001 -1.132) 7.117 12.166 ( -6.375 3.080 -2.824) 7.623 12.290 ( 9.915 -5.599 1.981) 11.558 12.544 ( -10.072 -2.635 -7.708) 12.954 12.735 ( 4.747 3.320 2.626) 6.361 12.961 ( -2.262 -2.030 -3.677) 4.771 13.078 ( -0.645 1.514 -4.558) 4.846 13.341 ( -3.972 -2.607 -11.475) 12.419 13.913 ( -3.110 0.673 7.997) 8.607 14.052 ( 4.299 -0.555 6.627) 7.918 14.099 ( 2.469 -0.649 6.220) 6.723 14.395 ( 3.617 0.590 4.556) 5.847 14.459 ( 0.140 -4.687 -4.106) 6.233 14.622 ( -4.329 -5.332 -7.788) 10.383 14.968 ( 5.906 4.086 9.893) 12.225 15.350 ( -9.687 0.431 -7.392) 12.193 15.894 ( 13.311 4.004 10.517) 17.430 16.146 ( -0.188 -0.528 -1.367) 1.478 16.419 ( 0.477 3.812 -0.005) 3.841 16.454 ( -2.934 0.290 -3.056) 4.246 16.584 ( -2.955 1.089 1.956) 3.707 16.667 ( 6.846 3.464 -0.768) 7.711 16.863 ( -2.448 -0.940 -0.055) 2.623 16.962 ( -3.671 -3.485 -2.920) 5.844 24.638 ( 0.250 2.302 2.319) 3.277 24.719 ( -2.805 0.304 -1.466) 3.180 25.178 ( -1.596 0.725 5.564) 5.833 25.270 ( 2.820 -1.669 4.592) 5.641 25.557 ( -1.838 -0.128 1.056) 2.124 25.623 ( -0.992 -0.075 0.826) 1.293 25.786 ( -1.202 -4.338 4.102) 6.091 25.940 ( -0.238 -6.190 -1.801) 6.451 27.272 ( -1.386 -5.818 4.838) 7.692 27.380 ( 0.915 -7.050 -1.266) 7.221 27.522 ( 1.999 -0.450 4.719) 5.145 27.767 ( -0.265 -4.332 -6.292) 7.643 29.645 ( -2.526 2.373 1.442) 3.754 29.769 ( 2.665 -0.415 -3.918) 4.757 30.879 ( 0.054 13.323 -3.657) 13.816 30.956 ( 2.598 9.485 -5.414) 11.227 ======================= Grid point 146 (78/104) ======================= q-point: ( 0.17 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -3.600 3.475 21.971) 22.533 2.598 ( 3.371 10.906 13.978) 18.047 2.821 ( -1.574 -4.330 -1.523) 4.853 2.961 ( -3.910 1.468 -8.808) 9.748 3.156 ( -5.614 3.373 1.151) 6.649 3.467 ( -13.019 0.347 3.221) 13.416 3.520 ( -3.863 -3.135 -1.116) 5.099 3.633 ( -1.572 -9.469 2.296) 9.870 3.734 ( 3.122 3.061 2.618) 5.096 3.893 ( -1.403 -5.182 -7.228) 9.004 3.995 ( 1.182 6.951 -1.348) 7.178 4.084 ( 1.645 -3.242 7.666) 8.484 4.269 ( -5.667 6.022 -2.465) 8.629 4.419 ( 1.181 -6.867 4.434) 8.259 4.565 ( -0.620 6.682 2.553) 7.180 4.825 ( -4.363 3.725 1.893) 6.041 4.968 ( -2.864 2.082 15.999) 16.386 5.122 ( 2.247 11.711 8.326) 14.544 5.204 ( -6.905 4.969 -2.209) 8.789 5.296 ( 3.693 7.295 2.572) 8.571 5.422 ( -1.320 2.434 8.210) 8.665 5.632 ( -2.429 6.822 -0.035) 7.242 5.785 ( 4.324 7.513 1.371) 8.776 5.964 ( -5.137 8.305 -10.706) 14.491 6.043 ( -8.796 7.185 -5.315) 12.540 6.211 ( 5.944 9.180 -2.721) 11.270 6.504 ( 3.787 -5.955 0.770) 7.098 6.537 ( 2.589 3.990 -7.372) 8.773 6.698 ( 8.610 -2.118 1.453) 8.985 6.784 ( 3.943 -0.292 -12.580) 13.186 6.999 ( 1.529 -1.791 4.436) 5.022 7.056 ( -5.820 6.847 0.158) 8.988 7.188 ( 6.928 -5.151 3.806) 9.435 7.516 ( -3.942 2.078 2.452) 5.086 7.596 ( -4.358 1.084 3.919) 5.960 7.755 ( -1.150 -0.904 8.950) 9.069 8.033 ( 1.409 -5.113 6.808) 8.630 8.149 ( -2.810 7.373 -0.270) 7.895 8.191 ( -3.239 0.606 -1.484) 3.614 8.282 ( 5.516 -10.729 -7.790) 14.360 8.442 ( 0.078 11.784 -5.364) 12.947 8.580 ( 9.348 -1.867 1.888) 9.718 8.699 ( -2.390 -2.075 -2.687) 4.151 8.755 ( -3.572 -8.314 -5.903) 10.804 9.061 ( -4.855 -5.839 -0.562) 7.615 9.135 ( 3.641 2.682 -3.371) 5.641 9.248 ( 3.444 2.284 -3.815) 5.624 9.552 ( 3.821 -6.947 -6.899) 10.510 10.353 ( 0.773 1.924 9.504) 9.727 10.501 ( -7.884 4.552 4.034) 9.958 10.746 ( 3.085 -5.558 4.051) 7.538 10.828 ( 2.311 -0.192 -5.659) 6.116 10.888 ( 8.762 -0.033 -4.260) 9.743 10.992 ( 1.703 6.519 -0.290) 6.744 11.205 ( -0.455 -12.409 7.511) 14.512 11.711 ( 2.870 -11.100 -7.101) 13.486 11.913 ( -11.611 0.704 -7.152) 13.654 12.074 ( -6.786 -4.308 1.116) 8.115 12.322 ( -3.425 -2.226 -4.391) 5.997 12.501 ( 6.572 0.671 4.618) 8.060 12.833 ( 1.652 -2.527 1.240) 3.264 12.882 ( -0.894 5.138 -4.538) 6.913 13.112 ( 4.147 -1.255 3.957) 5.867 13.251 ( 0.349 -2.950 -10.525) 10.936 13.864 ( -5.088 0.672 5.936) 7.847 14.141 ( -0.603 -5.015 9.393) 10.665 14.184 ( 4.650 1.878 -0.288) 5.024 14.344 ( -4.060 3.169 -2.401) 5.683 14.493 ( -4.853 -4.441 -7.728) 10.148 14.566 ( 7.152 -6.584 2.527) 10.044 14.969 ( -9.288 4.421 0.228) 10.289 15.310 ( 5.131 -2.316 3.662) 6.716 15.927 ( -6.052 8.640 -4.444) 11.447 16.242 ( 4.611 0.200 -0.499) 4.642 16.328 ( -3.966 2.452 1.242) 4.825 16.438 ( -0.516 -0.166 -1.195) 1.312 16.564 ( -2.369 -0.977 1.848) 3.160 16.714 ( 1.413 1.871 -4.457) 5.036 16.929 ( 6.947 0.724 4.171) 8.135 16.963 ( 4.886 -1.295 -1.365) 5.235 24.689 ( 3.232 1.288 2.386) 4.219 24.718 ( 3.114 1.091 0.717) 3.377 25.153 ( -3.945 1.222 4.302) 5.963 25.327 ( 1.077 -1.385 1.417) 2.255 25.526 ( -2.297 0.084 3.320) 4.038 25.616 ( -0.332 0.027 1.219) 1.263 25.787 ( -1.042 -5.027 4.445) 6.791 25.928 ( -0.124 -4.239 -1.640) 4.546 27.205 ( -5.207 -3.342 2.474) 6.663 27.461 ( 5.276 -8.092 1.161) 9.730 27.586 ( 1.499 -3.180 5.774) 6.760 27.708 ( -1.580 -5.132 -9.287) 10.728 29.597 ( -3.172 3.384 2.225) 5.144 29.782 ( 0.924 -1.737 -3.979) 4.439 30.849 ( -0.995 13.506 -2.410) 13.755 30.983 ( 3.130 9.217 -6.274) 11.581 ======================= Grid point 147 (79/104) ======================= q-point: ( 0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 3.960 -2.678 21.473) 21.998 2.537 ( -18.659 1.565 7.480) 20.163 2.704 ( 2.022 -0.534 7.468) 7.755 3.046 ( 2.354 8.725 7.268) 11.597 3.106 ( -0.580 3.767 -4.953) 6.249 3.297 ( -5.199 10.840 5.333) 13.152 3.449 ( -2.137 -7.618 -4.081) 8.902 3.621 ( 1.474 0.641 -0.919) 1.852 3.667 ( -8.091 1.306 2.088) 8.458 3.889 ( 3.446 0.560 -4.424) 5.636 4.081 ( 4.026 2.106 9.401) 10.442 4.175 ( 0.910 2.002 3.576) 4.198 4.190 ( 2.051 -0.072 -0.855) 2.223 4.501 ( 4.535 -4.510 3.042) 7.083 4.535 ( -7.679 3.447 4.888) 9.733 4.676 ( -5.678 6.249 -9.686) 12.849 4.943 ( -5.880 -6.348 5.623) 10.319 4.991 ( -7.220 12.077 0.915) 14.100 5.180 ( -5.980 -0.105 -0.383) 5.993 5.382 ( 3.277 8.864 9.050) 13.085 5.483 ( 2.590 4.552 3.580) 6.344 5.608 ( 2.178 7.307 -4.397) 8.802 5.715 ( -14.360 14.587 -0.193) 20.470 5.879 ( 2.039 8.570 -0.550) 8.826 5.939 ( 0.960 3.097 -6.796) 7.530 6.168 ( -5.890 6.378 -0.306) 8.687 6.486 ( -4.672 -1.562 2.065) 5.341 6.608 ( 6.773 0.949 -5.563) 8.816 6.797 ( 1.851 -2.265 -0.903) 3.061 6.880 ( 9.057 0.377 -5.668) 10.691 7.010 ( 1.100 -2.398 -0.357) 2.663 7.108 ( 6.142 -3.769 0.258) 7.211 7.287 ( -1.516 3.613 2.362) 4.575 7.482 ( -3.811 -7.812 3.673) 9.436 7.614 ( 9.095 0.734 4.057) 9.986 7.821 ( 1.492 -4.374 12.210) 13.056 8.020 ( -5.405 -2.666 -0.260) 6.033 8.096 ( 3.097 0.921 -2.561) 4.123 8.151 ( -0.717 8.985 -1.423) 9.125 8.359 ( 3.539 -5.620 -4.617) 8.089 8.414 ( -4.763 -0.306 -0.464) 4.795 8.599 ( -3.806 -1.952 2.418) 4.914 8.678 ( 1.328 5.573 -2.201) 6.138 8.754 ( 5.691 -5.119 -4.005) 8.639 8.911 ( -8.247 -6.239 -4.658) 11.342 9.189 ( 5.515 4.867 -8.925) 11.565 9.335 ( 5.277 0.681 1.793) 5.615 9.608 ( 4.014 -5.177 -3.424) 7.392 10.338 ( -9.203 6.534 8.890) 14.367 10.458 ( 2.951 1.114 2.391) 3.958 10.771 ( -0.067 -1.515 -0.377) 1.562 10.818 ( -1.628 0.446 -0.375) 1.729 11.010 ( 5.607 8.357 -4.408) 10.987 11.104 ( 3.508 -10.882 10.118) 15.268 11.286 ( 9.641 -11.911 -5.112) 16.154 11.652 ( -10.694 -0.545 -10.264) 14.833 11.720 ( -0.291 -10.672 -1.922) 10.847 11.906 ( -6.179 -3.489 1.520) 7.257 12.330 ( 1.863 0.732 2.568) 3.256 12.596 ( 1.942 3.741 0.662) 4.267 12.770 ( -1.839 3.903 -3.656) 5.655 12.906 ( -0.793 2.257 -1.900) 3.055 13.214 ( 4.479 -2.634 0.300) 5.205 13.289 ( 7.279 -7.052 2.055) 10.341 13.815 ( -3.209 -1.132 4.479) 5.625 14.098 ( -5.467 -3.167 -0.398) 6.330 14.217 ( -0.149 0.077 -6.020) 6.023 14.318 ( -1.042 2.205 6.714) 7.143 14.362 ( -4.343 -5.505 -7.539) 10.295 14.675 ( 2.674 -8.026 0.365) 8.468 14.857 ( -0.089 6.201 0.904) 6.267 15.325 ( -6.450 -6.676 2.843) 9.709 15.872 ( 3.987 13.730 -5.589) 15.351 16.153 ( -7.371 0.040 -1.564) 7.536 16.319 ( -2.710 0.669 5.208) 5.909 16.472 ( 2.068 3.020 -0.186) 3.664 16.497 ( -2.265 1.346 -1.660) 3.115 16.721 ( 1.833 1.030 -7.240) 7.539 17.060 ( 4.978 0.522 3.544) 6.133 17.098 ( 7.067 -0.568 1.312) 7.210 24.774 ( 4.885 0.747 2.018) 5.338 24.822 ( 5.780 0.775 3.770) 6.944 25.077 ( -6.093 1.436 2.618) 6.785 25.308 ( -2.468 -1.313 -3.482) 4.465 25.525 ( -0.458 -0.542 5.889) 5.932 25.619 ( -0.411 -1.027 2.098) 2.372 25.800 ( 0.094 -5.866 4.206) 7.219 25.914 ( -0.866 -4.269 -0.705) 4.413 27.151 ( -1.888 0.603 3.162) 3.732 27.526 ( -0.844 -1.236 -0.145) 1.504 27.620 ( -0.191 -1.185 0.973) 1.546 27.647 ( 1.542 -12.275 -4.481) 13.158 29.567 ( -1.274 2.655 2.924) 4.150 29.765 ( -0.291 -2.693 -4.280) 5.065 30.826 ( -0.464 13.193 -1.054) 13.243 30.999 ( 2.390 8.436 -7.350) 11.441 ======================= Grid point 148 (80/104) ======================= q-point: (-0.50 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( -12.508 6.404 15.826) 21.164 2.523 ( 5.237 -1.589 15.997) 16.907 2.811 ( -2.899 4.247 12.959) 13.942 2.914 ( -3.642 2.846 8.640) 9.799 3.221 ( -4.684 12.737 0.513) 13.581 3.258 ( 6.759 0.967 1.575) 7.008 3.400 ( 2.762 -8.093 -6.631) 10.821 3.655 ( 6.803 8.512 -1.197) 10.962 3.711 ( 6.267 4.344 0.434) 7.638 3.904 ( -1.207 2.016 -4.218) 4.828 4.123 ( -5.267 11.554 -4.712) 13.544 4.203 ( 3.165 -1.896 2.713) 4.580 4.235 ( -0.276 9.092 -1.599) 9.236 4.388 ( 0.049 0.593 2.725) 2.789 4.542 ( -1.853 0.849 1.802) 2.720 4.633 ( -2.378 4.109 3.895) 6.141 4.857 ( -0.612 -7.041 -5.452) 8.927 4.951 ( -1.238 3.350 14.097) 14.543 5.040 ( -4.933 -3.221 -5.136) 7.816 5.358 ( -18.204 13.740 12.888) 26.197 5.464 ( -0.546 3.972 -0.025) 4.009 5.547 ( 2.427 9.812 -2.177) 10.339 5.724 ( 6.139 1.211 -1.029) 6.342 5.888 ( 1.172 14.797 -8.446) 17.078 5.957 ( 0.827 -4.080 5.672) 7.036 6.075 ( -3.619 4.084 1.190) 5.585 6.425 ( -1.997 -1.464 3.001) 3.890 6.676 ( 2.721 -2.561 -5.452) 6.610 6.768 ( -3.224 -4.609 -1.108) 5.733 6.994 ( 4.861 -1.838 -4.175) 6.666 7.082 ( 6.441 0.512 -0.178) 6.464 7.168 ( 1.827 -5.213 -4.757) 7.290 7.239 ( -2.051 1.194 0.091) 2.375 7.421 ( -2.337 -7.295 -1.604) 7.827 7.794 ( 1.605 2.163 9.707) 10.073 7.947 ( -2.886 3.850 3.504) 5.952 7.970 ( 6.361 -3.720 9.799) 12.260 8.067 ( -7.735 1.125 -1.170) 7.904 8.163 ( 4.108 -6.565 -1.941) 7.984 8.294 ( -7.739 -7.914 -6.768) 12.974 8.353 ( 1.411 2.094 4.812) 5.434 8.593 ( 4.864 1.864 -5.075) 7.273 8.719 ( 3.149 1.809 -0.011) 3.632 8.754 ( -5.791 -4.668 -3.951) 8.422 8.869 ( 6.399 4.217 -0.350) 7.672 9.189 ( -0.114 5.052 -12.008) 13.028 9.437 ( 3.805 1.442 2.473) 4.762 9.642 ( 1.985 -4.216 -4.757) 6.659 10.233 ( -6.235 5.987 9.039) 12.507 10.528 ( 3.427 -0.372 0.073) 3.448 10.718 ( -5.073 0.845 2.775) 5.844 10.809 ( -0.124 -0.502 0.753) 0.913 11.083 ( 1.234 1.008 1.226) 2.010 11.143 ( 0.077 -9.651 2.999) 10.106 11.321 ( -7.267 -0.958 -7.269) 10.323 11.528 ( 6.494 -12.696 -10.921) 17.962 11.763 ( 5.877 -3.003 4.944) 8.246 11.879 ( -0.063 -3.349 0.177) 3.355 12.371 ( 0.385 2.347 3.491) 4.224 12.612 ( 2.646 1.913 -7.368) 8.059 12.764 ( 1.257 5.475 0.009) 5.618 12.837 ( -1.852 6.549 -4.910) 8.392 13.329 ( 5.235 -5.076 4.551) 8.596 13.426 ( 4.612 -11.738 2.009) 12.771 13.788 ( -0.732 0.389 3.280) 3.383 14.015 ( -2.294 0.070 -1.356) 2.666 14.107 ( -7.121 -2.263 -6.865) 10.147 14.220 ( -4.251 -1.709 -7.594) 8.869 14.391 ( 1.873 -4.321 9.502) 10.605 14.680 ( 0.168 -6.710 -2.625) 7.207 14.963 ( 7.767 3.583 5.250) 10.036 15.176 ( -8.488 -0.983 -2.341) 8.859 15.941 ( 2.736 6.595 -0.245) 7.144 16.012 ( -5.780 1.528 -1.869) 6.263 16.314 ( -1.443 2.598 7.634) 8.192 16.418 ( -2.213 2.769 -0.091) 3.545 16.542 ( 3.342 4.324 -2.755) 6.120 16.700 ( 0.731 1.946 -8.971) 9.208 17.128 ( -0.084 -0.447 3.303) 3.334 17.195 ( 2.711 -0.876 -0.092) 2.851 24.858 ( -0.387 1.452 3.978) 4.253 24.936 ( 2.914 2.500 2.293) 4.472 24.995 ( -0.553 -1.164 3.607) 3.830 25.215 ( -4.607 -3.141 -5.343) 7.722 25.558 ( 0.483 -1.135 5.350) 5.491 25.620 ( -0.598 -1.313 1.946) 2.423 25.831 ( 0.395 -7.698 4.064) 8.713 25.889 ( -0.964 -4.751 -0.188) 4.851 27.169 ( 1.050 3.132 5.269) 6.219 27.432 ( -4.534 2.787 -6.684) 8.544 27.623 ( -2.238 -4.701 3.730) 6.405 27.690 ( 4.023 -7.692 -1.699) 8.845 29.582 ( 1.020 1.299 2.963) 3.392 29.736 ( -0.029 -2.687 -4.611) 5.336 30.822 ( 0.408 12.676 -0.292) 12.686 30.997 ( 1.896 7.910 -8.165) 11.525 ======================= Grid point 149 (81/104) ======================= q-point: (-0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -8.109 10.398 19.704) 23.709 2.654 ( -4.501 10.775 16.102) 19.891 2.742 ( -1.806 8.588 11.399) 14.386 2.969 ( -0.227 -2.006 -0.954) 2.233 3.287 ( 12.670 0.393 2.312) 12.885 3.315 ( 2.399 -4.793 -8.232) 9.823 3.447 ( 0.249 0.194 -0.918) 0.970 3.780 ( 0.402 14.268 -1.014) 14.310 3.810 ( -3.540 -5.182 -2.226) 6.659 3.852 ( 13.235 6.985 -0.886) 14.991 4.018 ( 1.671 4.390 -5.322) 7.099 4.206 ( -3.905 4.602 2.758) 6.636 4.262 ( 3.794 13.287 -0.528) 13.828 4.470 ( 1.949 3.763 0.705) 4.296 4.546 ( -3.552 -1.053 0.606) 3.754 4.572 ( 0.516 5.768 7.274) 9.298 4.864 ( -0.732 0.128 0.052) 0.745 4.964 ( 1.345 -5.227 6.472) 8.427 5.052 ( -4.939 2.827 8.118) 9.914 5.148 ( -4.121 12.107 12.668) 18.001 5.461 ( 0.840 -3.922 0.996) 4.133 5.545 ( -1.357 7.467 -1.565) 7.749 5.794 ( 0.858 6.703 -0.940) 6.823 5.853 ( 0.980 -0.283 -4.837) 4.944 6.004 ( 0.842 3.962 2.611) 4.819 6.072 ( 2.758 -0.355 0.598) 2.844 6.454 ( 3.140 -0.143 1.246) 3.382 6.626 ( -3.534 -5.926 -5.886) 9.069 6.712 ( -3.272 0.378 0.830) 3.396 7.022 ( 0.108 0.002 -4.136) 4.137 7.076 ( -1.992 -1.856 -13.048) 13.330 7.222 ( 3.156 1.741 4.485) 5.753 7.309 ( 8.681 0.491 0.108) 8.695 7.385 ( -1.346 -12.138 1.810) 12.346 7.755 ( -9.977 0.015 4.263) 10.849 7.902 ( -6.691 -4.775 1.274) 8.318 7.919 ( -2.298 1.712 4.045) 4.957 7.982 ( -6.502 1.720 4.316) 7.992 8.158 ( -1.755 2.584 -2.317) 3.889 8.348 ( 10.631 -6.523 3.269) 12.894 8.445 ( 4.755 -4.709 0.628) 6.722 8.609 ( -5.825 -6.198 -4.698) 9.717 8.654 ( 3.104 5.000 -4.376) 7.334 8.812 ( 4.375 -0.754 1.534) 4.697 8.957 ( 3.186 5.573 -0.081) 6.420 9.088 ( -2.005 6.416 -14.171) 15.685 9.459 ( -2.837 2.148 0.236) 3.567 9.648 ( 2.358 -4.446 -7.595) 9.111 10.213 ( -1.438 3.597 10.179) 10.891 10.573 ( 1.044 0.499 -0.380) 1.218 10.658 ( -2.538 1.384 4.822) 5.622 10.801 ( -0.880 -1.299 -0.842) 1.780 11.017 ( -6.587 -3.535 -1.051) 7.549 11.156 ( -3.859 -5.881 -2.070) 7.333 11.204 ( 0.458 -1.809 4.188) 4.585 11.623 ( 6.808 -6.298 -6.265) 11.192 11.839 ( 2.313 -6.616 -4.475) 8.315 11.942 ( 6.494 -2.967 0.276) 7.146 12.377 ( -1.428 4.053 1.481) 4.546 12.602 ( 1.683 -0.370 -9.047) 9.210 12.777 ( 0.625 9.057 -0.829) 9.116 12.881 ( 6.696 5.248 -1.956) 8.729 13.304 ( -6.244 -9.044 -4.398) 11.838 13.568 ( 7.265 -8.265 0.206) 11.006 13.838 ( 1.604 -0.321 5.162) 5.415 13.915 ( -3.516 4.878 -3.369) 6.893 14.010 ( -3.855 -7.609 3.108) 9.078 14.145 ( 0.904 0.466 -0.811) 1.301 14.473 ( 0.811 -6.208 7.532) 9.794 14.692 ( 3.450 -7.542 -4.621) 9.494 15.001 ( -7.409 4.203 -4.065) 9.438 15.169 ( 10.424 2.000 8.041) 13.316 15.838 ( -8.980 3.032 -0.974) 9.528 16.041 ( 3.722 1.299 3.416) 5.216 16.315 ( -1.263 5.028 4.583) 6.920 16.442 ( 3.517 2.626 2.560) 5.081 16.567 ( 1.096 3.211 -4.242) 5.433 16.666 ( 0.620 3.399 -7.510) 8.267 17.087 ( -5.620 -1.036 1.814) 5.996 17.190 ( -2.755 -2.030 -1.654) 3.801 24.769 ( -7.352 2.647 2.104) 8.092 24.951 ( -3.438 1.639 -0.799) 3.892 25.082 ( 3.397 -1.126 6.222) 7.178 25.134 ( 0.131 -4.582 -1.204) 4.740 25.583 ( -0.358 -1.485 2.553) 2.975 25.625 ( 0.066 -0.806 2.399) 2.531 25.821 ( -2.405 -4.971 1.717) 5.783 25.911 ( 1.998 -9.438 1.768) 9.808 27.213 ( -0.326 2.098 5.040) 5.469 27.354 ( 0.365 4.918 -3.326) 5.948 27.576 ( -4.144 -6.758 2.003) 8.177 27.752 ( 3.121 -4.037 -1.420) 5.297 29.626 ( 1.938 0.799 2.183) 3.026 29.722 ( 1.229 -1.659 -4.509) 4.959 30.837 ( 1.546 12.327 -0.755) 12.446 30.985 ( 1.317 8.236 -8.045) 11.588 ======================= Grid point 150 (82/104) ======================= q-point: (-0.17 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -0.712 13.970 21.600) 25.734 2.483 ( -17.590 18.972 13.810) 29.327 2.850 ( 2.957 -1.734 1.416) 3.709 2.959 ( 3.139 4.053 -6.217) 8.058 3.368 ( 8.300 -6.556 -6.317) 12.320 3.422 ( -0.385 -7.000 2.993) 7.623 3.532 ( 9.670 -4.343 -0.636) 10.620 3.658 ( -9.385 -0.056 -0.844) 9.423 3.814 ( 2.000 0.140 -2.276) 3.033 4.030 ( 2.923 10.050 -0.977) 10.512 4.055 ( 1.836 1.970 -4.161) 4.956 4.165 ( -2.251 3.773 2.802) 5.211 4.372 ( 0.797 4.572 -6.262) 7.794 4.453 ( -1.061 6.340 6.628) 9.233 4.545 ( 6.756 0.612 4.673) 8.238 4.585 ( -1.139 9.251 6.051) 11.113 4.815 ( -3.790 4.486 4.382) 7.328 4.936 ( -7.561 12.711 18.409) 23.614 5.117 ( 3.595 4.075 13.918) 14.941 5.245 ( 6.049 -3.184 -2.228) 7.190 5.495 ( -0.202 5.031 8.370) 9.768 5.530 ( 0.427 4.360 -2.235) 4.918 5.823 ( 4.970 6.591 2.018) 8.498 5.874 ( 1.410 -7.783 -3.837) 8.791 6.032 ( 4.026 7.276 -4.498) 9.454 6.136 ( 3.920 -1.440 0.721) 4.238 6.463 ( -3.159 -1.551 -4.406) 5.639 6.554 ( -2.555 -0.618 -3.769) 4.595 6.651 ( -1.830 6.430 -1.592) 6.872 6.939 ( -3.196 1.672 -3.914) 5.322 7.001 ( -0.140 -3.679 -12.171) 12.716 7.184 ( -11.036 -9.135 4.107) 14.903 7.378 ( 0.701 -4.411 3.550) 5.705 7.491 ( 6.536 4.197 -2.478) 8.153 7.670 ( 1.671 0.865 5.987) 6.276 7.799 ( -5.832 -1.098 1.332) 6.082 7.915 ( 1.344 1.455 6.598) 6.889 7.928 ( -2.621 0.470 1.790) 3.209 8.118 ( -0.464 7.303 -0.113) 7.319 8.470 ( -1.714 -4.705 -3.350) 6.025 8.477 ( -1.837 -7.809 -2.052) 8.281 8.546 ( 2.865 -7.149 1.385) 7.825 8.666 ( 1.137 3.740 -3.933) 5.546 8.877 ( 0.722 -1.776 4.041) 4.473 9.002 ( 4.686 -1.577 -9.125) 10.378 9.021 ( 1.861 8.344 -5.016) 9.912 9.361 ( -5.796 1.144 -2.774) 6.527 9.633 ( 0.921 -4.630 -11.112) 12.073 10.268 ( 0.449 0.986 11.481) 11.532 10.563 ( -2.284 -0.518 5.141) 5.649 10.675 ( 0.232 0.510 1.421) 1.527 10.765 ( -0.493 -1.079 -3.851) 4.029 10.909 ( -1.663 3.134 -5.587) 6.619 11.087 ( -3.854 -4.318 -2.505) 6.307 11.199 ( -4.895 -6.581 11.232) 13.908 11.675 ( 3.963 0.970 -6.961) 8.068 11.942 ( 8.771 -13.032 -6.609) 17.042 12.051 ( 7.191 -1.659 2.138) 7.684 12.323 ( -4.080 2.542 -2.748) 5.537 12.630 ( 4.280 -0.693 -2.748) 5.134 12.736 ( -4.818 7.524 -2.508) 9.280 12.976 ( 3.414 1.144 -3.520) 5.035 13.162 ( -4.405 -4.323 -7.841) 9.979 13.509 ( -6.549 -3.797 -11.533) 13.796 13.907 ( -0.388 0.770 4.636) 4.716 13.946 ( 2.909 -3.116 8.055) 9.114 14.005 ( 3.252 -1.046 7.254) 8.018 14.253 ( 7.510 -0.412 5.294) 9.198 14.482 ( -1.310 -5.753 1.591) 6.111 14.708 ( -0.236 -7.150 -6.550) 9.699 14.893 ( -1.947 6.386 0.081) 6.676 15.447 ( 11.670 -6.666 6.820) 15.071 15.663 ( -6.083 11.344 1.040) 12.914 16.124 ( 2.239 -1.370 4.682) 5.367 16.351 ( 2.592 3.304 4.313) 6.019 16.530 ( 1.741 5.349 -4.649) 7.297 16.545 ( 2.619 0.908 -0.806) 2.887 16.639 ( -1.299 3.303 -2.690) 4.453 16.962 ( -7.259 -1.430 -0.106) 7.399 17.087 ( -6.529 -3.379 -2.638) 7.811 24.666 ( -4.368 2.644 1.861) 5.435 24.825 ( -6.774 -0.368 -2.833) 7.352 25.155 ( 0.848 0.005 6.152) 6.210 25.189 ( 3.224 -2.400 4.103) 5.743 25.578 ( -0.882 -0.737 0.638) 1.315 25.634 ( -0.670 -0.868 1.952) 2.239 25.792 ( -1.618 -3.842 2.617) 4.922 25.944 ( 0.719 -9.533 -0.030) 9.560 27.228 ( 1.115 -1.745 2.927) 3.585 27.390 ( 1.294 1.491 2.462) 3.156 27.507 ( -3.154 -5.343 1.064) 6.295 27.782 ( 1.391 -3.680 -3.350) 5.167 29.661 ( 0.296 0.987 1.377) 1.720 29.736 ( 2.709 -0.171 -4.133) 4.945 30.868 ( 2.399 12.490 -2.445) 12.951 30.962 ( 0.604 9.195 -6.690) 11.388 ======================= Grid point 151 (83/104) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( -16.599 14.216 3.287) 22.100 2.758 ( -1.774 7.673 2.099) 8.150 2.790 ( 3.824 4.922 -0.101) 6.234 3.060 ( -1.234 -7.168 1.047) 7.348 3.195 ( -0.865 0.132 5.681) 5.748 3.299 ( -1.900 -11.120 3.163) 11.716 3.410 ( 9.062 -2.805 -3.894) 10.255 3.479 ( 4.003 -7.365 -6.045) 10.335 3.821 ( -13.142 2.382 1.517) 13.442 3.884 ( -5.691 -3.808 0.660) 6.879 4.153 ( -4.987 6.330 -1.875) 8.273 4.218 ( -1.557 1.941 -1.557) 2.935 4.373 ( -3.156 2.400 -3.326) 5.175 4.440 ( -5.036 -1.247 -3.037) 6.012 4.709 ( 0.734 3.370 1.534) 3.775 4.751 ( 7.683 -1.205 0.153) 7.778 5.012 ( -1.684 7.570 15.296) 17.149 5.164 ( -2.835 -5.622 9.692) 11.557 5.287 ( 7.452 6.766 5.658) 11.547 5.397 ( -0.533 -0.862 1.309) 1.655 5.570 ( 2.248 12.220 15.296) 19.706 5.726 ( -0.361 2.664 12.383) 12.672 5.932 ( -2.688 8.487 -6.313) 10.914 6.080 ( -2.422 -3.904 -2.834) 5.398 6.129 ( 12.905 4.155 4.067) 14.155 6.216 ( 10.979 -4.137 3.805) 12.334 6.428 ( -2.691 7.392 -0.969) 7.926 6.547 ( 2.809 1.240 -7.042) 7.682 6.651 ( -3.587 2.088 -7.775) 8.814 6.748 ( -0.369 -11.420 7.179) 13.494 6.911 ( -1.903 3.251 -8.273) 9.090 7.021 ( 1.126 -2.382 -1.149) 2.874 7.422 ( -0.232 5.392 -2.000) 5.756 7.512 ( 7.368 -4.740 -5.709) 10.457 7.646 ( -4.799 1.467 6.870) 8.507 7.747 ( -10.684 -4.066 4.320) 12.220 7.960 ( -0.115 4.515 7.274) 8.562 8.102 ( -2.251 -2.001 2.805) 4.116 8.177 ( 6.875 -3.356 1.588) 7.813 8.268 ( 1.560 -5.796 -0.632) 6.035 8.386 ( -1.146 9.852 -1.230) 9.995 8.586 ( -0.533 -7.618 -4.012) 8.627 8.689 ( 4.797 6.918 -1.388) 8.532 8.811 ( 1.955 -2.705 0.858) 3.446 8.984 ( -0.849 2.912 -11.111) 11.517 9.148 ( -0.505 -6.227 -5.252) 8.162 9.274 ( -1.703 7.016 -6.132) 9.472 9.433 ( -1.695 -7.387 -7.557) 10.702 10.341 ( -0.167 2.655 7.937) 8.371 10.440 ( 1.384 -6.910 4.357) 8.285 10.726 ( -1.214 6.420 2.574) 7.022 10.797 ( 4.272 -0.086 -3.894) 5.782 10.878 ( -3.574 -0.393 1.020) 3.738 10.955 ( -7.393 -7.786 10.807) 15.233 11.263 ( 4.193 13.456 -9.915) 17.232 11.533 ( 1.601 -11.146 -14.509) 18.366 11.978 ( 6.763 2.460 2.293) 7.553 12.111 ( 5.850 -8.879 -0.615) 10.651 12.261 ( -5.793 5.197 -2.527) 8.183 12.403 ( -9.159 -8.012 -6.335) 13.719 12.845 ( -0.916 5.729 2.802) 6.443 12.935 ( -1.129 -2.149 1.052) 2.646 13.134 ( 0.369 4.857 -5.165) 7.100 13.263 ( -2.055 -5.873 -7.780) 9.962 13.936 ( -2.327 2.384 8.774) 9.385 14.006 ( -0.305 -3.604 9.182) 9.869 14.151 ( 5.195 5.684 0.300) 7.706 14.295 ( 4.899 -7.311 -0.322) 8.807 14.464 ( 0.130 2.460 -1.847) 3.078 14.527 ( -1.637 -3.681 -4.283) 5.880 15.111 ( 1.974 8.442 6.573) 10.880 15.278 ( -3.781 -6.637 0.077) 7.639 16.011 ( 7.854 5.937 6.301) 11.689 16.108 ( 2.653 -3.156 2.462) 4.802 16.447 ( 0.581 0.973 -0.796) 1.385 16.470 ( -2.710 -0.514 -3.320) 4.317 16.638 ( -5.469 4.228 0.631) 6.942 16.718 ( 1.207 -1.090 -3.407) 3.775 16.833 ( -0.191 0.587 -0.804) 1.014 16.892 ( 0.378 -3.367 -2.600) 4.270 24.686 ( -0.619 2.076 1.451) 2.607 24.717 ( -1.880 -0.725 0.105) 2.018 25.200 ( 0.063 1.406 4.919) 5.117 25.234 ( 2.238 -1.749 4.479) 5.304 25.561 ( -1.735 0.726 2.901) 3.457 25.594 ( -1.522 -2.265 3.571) 4.494 25.753 ( 0.184 1.456 -0.592) 1.582 25.823 ( 1.214 -4.785 -1.885) 5.284 27.209 ( -1.668 -0.341 2.098) 2.702 27.251 ( -1.601 -4.287 -0.288) 4.585 27.570 ( 0.795 3.821 1.156) 4.070 27.665 ( -0.391 -5.053 -3.140) 5.962 29.699 ( -1.063 2.567 1.881) 3.355 29.745 ( 0.474 -1.761 0.047) 1.825 31.075 ( 1.454 5.117 -5.815) 7.881 31.093 ( 2.400 3.174 -5.841) 7.067 ======================= Grid point 152 (84/104) ======================= q-point: ( 0.17 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -9.279 9.268 12.444) 18.079 2.569 ( -10.534 -12.173 3.462) 16.467 2.929 ( -2.358 14.733 7.316) 16.617 3.076 ( 5.598 6.261 -2.300) 8.708 3.198 ( 1.015 -0.579 -2.458) 2.722 3.288 ( -3.489 -12.862 3.495) 13.778 3.523 ( 3.842 -0.849 -2.125) 4.472 3.587 ( 3.109 -1.820 -0.743) 3.679 3.646 ( 1.981 2.984 0.138) 3.585 3.851 ( 1.032 -8.494 6.333) 10.645 4.013 ( -10.434 7.722 4.909) 13.878 4.198 ( -0.078 -1.017 1.435) 1.761 4.243 ( -8.446 -1.711 1.056) 8.682 4.321 ( -3.403 -1.456 -2.560) 4.500 4.708 ( -2.403 6.345 1.336) 6.915 4.810 ( -2.489 -3.163 -0.048) 4.025 5.067 ( -1.158 4.946 10.475) 11.642 5.171 ( -3.140 -4.651 8.787) 10.426 5.320 ( -3.372 6.634 -6.731) 10.034 5.401 ( 2.344 0.118 2.422) 3.372 5.642 ( -1.434 13.912 9.797) 17.076 5.761 ( -2.095 5.347 9.746) 11.313 5.900 ( 0.755 1.453 -2.359) 2.872 5.997 ( -2.014 -5.174 -4.426) 7.101 6.265 ( -4.906 11.475 -2.178) 12.668 6.371 ( 5.861 2.975 -1.379) 6.715 6.444 ( 3.440 2.481 -3.705) 5.632 6.587 ( 10.007 -4.297 -8.870) 14.046 6.678 ( 3.900 5.856 2.799) 7.572 6.815 ( 3.078 4.802 -10.752) 12.171 6.870 ( 2.938 -9.052 8.817) 12.974 7.007 ( -1.469 -9.531 -3.092) 10.127 7.314 ( -3.801 12.623 -2.290) 13.380 7.525 ( -12.467 -4.252 4.433) 13.898 7.618 ( 4.528 1.561 -4.050) 6.272 7.690 ( 0.491 -3.574 10.551) 11.150 7.922 ( -6.593 -1.946 3.092) 7.538 8.020 ( -1.865 -9.624 -2.109) 10.027 8.289 ( 4.433 6.539 2.652) 8.333 8.356 ( 3.389 9.607 -0.078) 10.188 8.437 ( 6.684 -5.523 4.597) 9.814 8.563 ( 0.915 -8.228 -2.290) 8.589 8.678 ( -8.708 3.642 -10.785) 14.332 8.775 ( -2.822 -0.232 -0.046) 2.832 8.940 ( 2.479 5.728 -7.767) 9.964 9.183 ( 4.796 -8.854 -1.432) 10.171 9.266 ( 2.855 6.159 -2.672) 7.296 9.397 ( 3.023 -6.489 -5.548) 9.057 10.415 ( 3.675 4.250 6.348) 8.477 10.522 ( 1.682 -4.566 5.442) 7.300 10.712 ( -1.702 5.572 5.583) 8.069 10.842 ( -0.466 0.289 0.697) 0.887 10.869 ( 3.058 -0.761 -1.652) 3.558 10.907 ( 0.621 -9.864 3.029) 10.337 11.265 ( 2.142 11.288 -8.928) 14.550 11.487 ( 1.547 -10.239 -9.450) 14.019 11.935 ( -11.906 1.639 -6.921) 13.869 11.988 ( -9.741 -3.478 -2.451) 10.629 12.292 ( 3.152 0.812 0.990) 3.402 12.394 ( 8.678 -8.196 4.623) 12.800 12.856 ( -0.592 5.264 5.240) 7.451 12.947 ( 0.922 -0.791 3.012) 3.247 13.119 ( 0.680 2.262 -3.088) 3.888 13.198 ( -0.609 -3.451 -8.107) 8.832 13.901 ( -4.953 3.468 6.552) 8.916 14.008 ( -3.713 -6.406 8.201) 11.049 14.245 ( 4.279 4.071 -3.468) 6.849 14.351 ( 1.675 -5.157 -7.512) 9.265 14.441 ( -2.178 1.930 0.025) 2.910 14.484 ( 0.775 -1.971 -0.617) 2.206 15.085 ( -7.186 6.315 2.221) 9.820 15.218 ( -2.754 -5.957 3.188) 7.296 16.103 ( 1.912 7.352 -2.452) 7.982 16.212 ( 3.401 -3.102 -0.976) 4.705 16.391 ( -4.080 2.909 2.019) 5.402 16.438 ( -0.276 -0.977 0.587) 1.173 16.568 ( -1.990 2.904 0.284) 3.532 16.671 ( -0.374 -5.148 -2.100) 5.573 16.942 ( 8.682 1.159 -0.675) 8.785 16.960 ( 6.557 -0.273 -1.827) 6.813 24.715 ( 2.475 1.138 1.903) 3.322 24.730 ( 2.766 -0.084 1.653) 3.224 25.202 ( -2.177 3.304 2.634) 4.753 25.276 ( 0.116 -3.345 1.932) 3.864 25.540 ( -2.191 1.291 3.818) 4.588 25.583 ( -1.713 -2.642 3.931) 5.037 25.752 ( 0.160 1.824 -0.701) 1.961 25.828 ( 0.566 -4.751 -2.357) 5.334 27.188 ( -0.937 1.808 2.481) 3.210 27.280 ( 3.294 -6.982 2.423) 8.091 27.581 ( -0.293 1.364 1.450) 2.012 27.628 ( -1.580 -3.008 -3.673) 5.004 29.673 ( -2.533 3.527 1.975) 4.771 29.737 ( -1.217 -2.576 -0.055) 2.850 31.061 ( 0.496 6.264 -5.488) 8.343 31.105 ( 2.038 2.040 -6.379) 7.000 ======================= Grid point 153 (85/104) ======================= q-point: ( 0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 1.064 3.595 17.795) 18.186 2.460 ( -6.127 -6.818 12.197) 15.257 2.859 ( -5.046 13.155 7.760) 16.085 3.126 ( -5.910 -6.651 9.116) 12.739 3.186 ( 3.099 3.885 -4.567) 6.749 3.237 ( -4.312 -5.084 -0.132) 6.668 3.561 ( 0.190 5.356 -4.796) 7.192 3.612 ( 3.520 3.572 5.653) 7.557 3.743 ( 2.161 3.909 2.065) 4.921 3.918 ( 0.295 0.768 3.591) 3.684 3.976 ( 7.616 -3.479 4.372) 9.446 4.151 ( 0.465 -6.851 1.565) 7.043 4.271 ( 5.807 3.723 3.343) 7.666 4.346 ( 6.533 -4.958 1.334) 8.309 4.611 ( -9.350 3.509 3.755) 10.669 4.699 ( -7.967 -4.289 -0.082) 9.048 4.986 ( -8.962 9.233 -2.955) 13.202 5.116 ( -3.079 -1.331 -1.488) 3.670 5.248 ( -4.672 6.183 -4.620) 9.022 5.386 ( -3.878 -7.011 -6.206) 10.134 5.663 ( -0.925 10.729 6.953) 12.818 5.765 ( -1.947 7.941 10.028) 12.939 5.859 ( -4.008 -1.288 -2.034) 4.675 6.000 ( 2.934 -5.039 0.681) 5.871 6.146 ( -6.374 18.332 1.485) 19.465 6.383 ( -2.100 7.846 -1.300) 8.225 6.435 ( -1.638 0.133 -1.168) 2.016 6.612 ( -1.362 -1.009 -11.754) 11.876 6.677 ( -2.337 -3.147 -2.811) 4.824 6.873 ( -1.882 -10.936 -9.849) 14.838 6.960 ( 11.880 4.708 0.870) 12.809 7.052 ( 2.905 -2.486 3.517) 5.195 7.336 ( 0.799 -2.472 2.549) 3.639 7.352 ( -2.522 0.085 2.640) 3.652 7.669 ( 3.994 2.263 0.489) 4.616 7.774 ( 2.825 -1.809 7.167) 7.913 7.864 ( -0.441 -1.399 4.496) 4.730 8.024 ( 3.153 -8.989 -2.591) 9.872 8.334 ( -6.121 3.586 0.100) 7.095 8.367 ( -8.032 4.560 -8.633) 12.642 8.428 ( -0.375 5.329 2.031) 5.715 8.542 ( 0.370 -1.048 0.491) 1.215 8.626 ( 5.610 -4.380 -3.253) 7.825 8.688 ( -0.718 -10.267 -2.875) 10.686 8.985 ( 3.120 14.293 0.313) 14.633 9.233 ( 1.716 -6.290 -0.427) 6.534 9.345 ( 6.311 4.322 -2.588) 8.075 9.472 ( 5.663 -6.831 -3.479) 9.530 10.471 ( -6.802 5.587 10.378) 13.609 10.506 ( -0.392 2.304 3.014) 3.814 10.735 ( -0.063 -0.824 2.766) 2.887 10.797 ( -5.179 -4.976 10.349) 12.598 10.946 ( 6.797 -0.098 -5.604) 8.810 11.044 ( 12.674 -7.130 -9.400) 17.316 11.258 ( 1.188 10.309 -7.136) 12.594 11.482 ( 0.051 -10.659 -7.992) 13.322 11.704 ( -7.408 3.774 -1.328) 8.420 11.806 ( -5.515 -5.483 0.832) 7.821 12.381 ( 3.391 4.758 4.160) 7.173 12.531 ( 3.472 -8.349 2.707) 9.438 12.880 ( 0.358 7.873 4.996) 9.331 12.974 ( 1.342 2.504 -2.156) 3.567 13.122 ( -0.053 -4.085 -1.042) 4.217 13.168 ( 1.132 -5.825 -1.675) 6.166 13.852 ( -3.038 4.331 5.204) 7.421 13.972 ( -3.561 -6.819 5.657) 9.549 14.240 ( -1.348 2.219 -8.590) 8.974 14.296 ( -2.247 -2.526 -9.718) 10.290 14.396 ( -2.019 4.883 0.922) 5.363 14.517 ( 1.049 -6.643 -0.079) 6.726 15.002 ( -1.606 7.497 2.821) 8.170 15.167 ( -3.901 -8.062 3.437) 9.593 16.094 ( -1.275 6.347 -4.383) 7.818 16.152 ( -6.262 -0.526 -1.144) 6.387 16.361 ( -0.663 4.089 4.380) 6.029 16.457 ( -0.237 -3.523 1.963) 4.040 16.581 ( 3.772 5.158 -2.565) 6.885 16.683 ( 2.578 -4.052 -5.171) 7.058 17.073 ( 5.285 0.794 0.212) 5.348 17.088 ( 6.698 -0.517 -0.377) 6.728 24.794 ( 4.504 1.126 2.850) 5.448 24.818 ( 4.715 -0.943 3.732) 6.087 25.143 ( -4.808 4.568 -0.118) 6.633 25.245 ( -3.676 -4.513 -1.872) 6.114 25.531 ( -1.230 1.274 5.495) 5.774 25.576 ( -1.356 -2.770 4.401) 5.374 25.752 ( 0.261 1.333 -0.671) 1.515 25.819 ( -0.159 -4.362 -2.355) 4.959 27.213 ( 1.577 5.352 4.048) 6.893 27.373 ( 4.237 -9.758 3.885) 11.325 27.559 ( -2.399 0.727 -2.352) 3.438 27.588 ( -0.707 -1.727 -0.786) 2.025 29.638 ( -2.025 3.643 2.083) 4.659 29.708 ( -1.605 -2.921 -0.270) 3.344 31.042 ( 0.532 6.839 -5.073) 8.531 31.102 ( 1.473 1.146 -6.906) 7.153 ======================= Grid point 154 (86/104) ======================= q-point: (-0.50 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -4.465 4.833 15.176) 16.541 2.501 ( 4.635 -1.568 16.615) 17.320 2.914 ( 6.174 8.115 6.602) 12.147 3.035 ( -8.586 5.734 13.530) 17.019 3.138 ( -1.733 -6.966 -5.099) 8.805 3.221 ( 0.479 -7.976 5.342) 9.611 3.579 ( 2.921 14.375 3.452) 15.069 3.737 ( 4.428 0.244 1.666) 4.737 3.806 ( 5.618 4.275 -2.174) 7.387 3.909 ( -3.377 -3.177 -5.416) 7.130 4.127 ( 2.644 -0.568 3.212) 4.199 4.198 ( 3.382 -5.637 1.339) 6.709 4.418 ( 5.583 7.795 0.969) 9.637 4.502 ( 1.362 6.635 5.347) 8.630 4.540 ( 8.579 -5.470 2.961) 10.597 4.623 ( 4.026 -0.831 1.334) 4.322 4.801 ( -6.449 8.806 -7.942) 13.498 5.019 ( -6.978 -0.617 -5.029) 8.623 5.084 ( -6.717 3.500 -4.779) 8.956 5.197 ( -9.224 -14.412 -11.303) 20.507 5.649 ( -9.834 2.857 10.271) 14.503 5.693 ( -5.922 1.209 9.661) 11.396 5.864 ( 1.175 13.743 3.787) 14.304 6.065 ( 2.470 -1.446 -0.328) 2.881 6.080 ( -3.158 12.970 8.163) 15.647 6.288 ( -5.497 12.255 -1.941) 13.571 6.425 ( 0.128 -2.809 1.455) 3.166 6.534 ( -0.483 -0.523 -6.758) 6.795 6.595 ( -4.216 -9.770 -0.780) 10.669 6.822 ( 1.990 -13.429 -8.003) 15.759 7.080 ( 1.990 -0.140 -4.762) 5.163 7.124 ( 5.397 -3.032 -4.565) 7.691 7.303 ( 1.187 8.656 5.373) 10.257 7.436 ( 1.396 1.974 1.478) 2.833 7.766 ( 2.249 -4.837 5.947) 7.989 7.887 ( 8.154 -5.786 -0.458) 10.008 7.912 ( -2.037 2.272 6.447) 7.133 8.073 ( -11.239 1.978 -3.089) 11.823 8.098 ( -0.802 -8.330 -0.892) 8.416 8.145 ( -3.612 -1.358 -4.730) 6.104 8.461 ( -0.869 7.849 1.439) 8.027 8.620 ( -3.378 -5.786 1.840) 6.949 8.653 ( 6.341 2.113 -6.401) 9.255 8.712 ( 5.368 -2.251 -2.065) 6.176 9.061 ( 3.377 11.052 2.295) 11.782 9.236 ( -0.302 -3.159 -4.490) 5.499 9.444 ( 4.871 1.560 -1.239) 5.263 9.531 ( 2.367 -5.457 -3.364) 6.834 10.379 ( -6.977 7.634 10.046) 14.418 10.510 ( -2.142 -3.278 6.416) 7.517 10.721 ( -2.464 0.832 3.992) 4.764 10.780 ( -1.769 -3.720 4.107) 5.817 11.022 ( 5.271 3.966 -8.717) 10.931 11.187 ( 3.696 -2.173 -6.053) 7.417 11.231 ( 3.652 -2.478 -7.545) 8.741 11.327 ( -8.378 -4.938 -8.192) 12.716 11.743 ( 6.464 1.478 4.761) 8.163 11.808 ( 2.489 -3.801 1.968) 4.951 12.448 ( 2.052 4.961 2.196) 5.801 12.565 ( 0.992 -5.305 -3.281) 6.316 12.918 ( 1.911 9.073 2.470) 9.595 12.972 ( 0.321 6.703 -2.821) 7.279 13.152 ( 1.760 -9.724 3.013) 10.331 13.184 ( 1.989 -10.495 -0.350) 10.687 13.855 ( -0.105 4.165 5.729) 7.084 13.943 ( -3.043 -4.593 4.901) 7.374 14.128 ( -4.723 2.844 -8.639) 10.248 14.190 ( -2.576 -2.105 -8.782) 9.391 14.384 ( -0.188 3.615 1.808) 4.046 14.515 ( 0.142 -7.923 -2.671) 8.362 15.052 ( 3.739 4.221 4.863) 7.446 15.130 ( -1.949 -3.139 1.982) 4.193 16.019 ( -6.119 1.763 0.949) 6.438 16.037 ( -4.060 0.160 0.312) 4.075 16.402 ( 1.883 4.720 3.687) 6.278 16.455 ( -0.152 0.089 0.749) 0.769 16.632 ( 3.020 3.778 -4.674) 6.726 16.694 ( 2.219 -2.070 -7.388) 7.987 17.130 ( 0.044 0.905 0.922) 1.292 17.164 ( 1.436 -1.942 -0.761) 2.533 24.890 ( 2.152 1.685 4.930) 5.637 24.929 ( 4.163 -1.922 5.679) 7.299 25.039 ( -4.460 4.115 -2.017) 6.395 25.131 ( -6.216 -4.498 -3.862) 8.590 25.548 ( -0.390 0.511 5.632) 5.669 25.580 ( -0.751 -2.262 4.463) 5.060 25.755 ( 0.398 0.166 -0.580) 0.723 25.801 ( -0.407 -3.566 -2.093) 4.155 27.270 ( 1.280 6.553 5.097) 8.400 27.435 ( -0.624 -8.192 1.192) 8.302 27.510 ( -0.745 2.523 -0.931) 2.791 27.588 ( 1.833 -4.062 -1.249) 4.628 29.629 ( -0.095 2.804 2.133) 3.524 29.685 ( -0.399 -2.458 -0.391) 2.521 31.031 ( 1.173 6.713 -4.685) 8.269 31.092 ( 1.609 0.933 -7.187) 7.423 ======================= Grid point 155 (87/104) ======================= q-point: (-0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( -1.268 11.563 13.083) 17.506 2.654 ( 5.098 -6.597 8.440) 11.864 2.999 ( 0.617 6.754 6.353) 9.293 3.052 ( -2.807 10.061 19.578) 22.190 3.191 ( 7.663 -3.518 -5.610) 10.128 3.274 ( 4.068 -3.766 -2.054) 5.912 3.481 ( -12.288 4.026 -6.145) 14.316 3.638 ( -11.390 -9.436 -3.200) 15.133 3.926 ( 8.130 4.413 3.269) 9.811 3.971 ( 9.594 0.587 -2.752) 9.998 4.143 ( 1.104 4.535 1.375) 4.866 4.285 ( 2.615 -8.325 0.740) 8.757 4.418 ( -4.713 16.278 -11.079) 20.247 4.574 ( -1.150 3.558 -1.132) 3.906 4.635 ( 8.442 3.979 -4.572) 10.393 4.693 ( -2.499 9.131 -0.155) 9.468 4.868 ( 10.892 1.238 1.716) 11.096 4.906 ( -4.094 1.343 0.004) 4.309 4.966 ( 4.385 -12.260 3.898) 13.592 5.147 ( 6.033 -13.918 2.914) 15.447 5.522 ( -7.017 7.504 13.463) 16.935 5.605 ( -11.281 2.338 14.145) 18.244 5.878 ( -1.509 10.910 7.754) 13.470 6.065 ( -1.846 3.955 -0.382) 4.381 6.085 ( -1.492 5.911 3.919) 7.247 6.201 ( -1.515 7.084 -5.921) 9.356 6.424 ( -1.629 -6.551 1.853) 7.000 6.534 ( -0.407 -7.914 4.291) 9.012 6.582 ( 5.210 3.012 -1.603) 6.228 6.852 ( 4.881 -13.303 -8.436) 16.491 7.095 ( -0.031 0.092 -2.487) 2.489 7.138 ( 1.503 -4.014 -2.697) 5.064 7.323 ( -6.854 7.294 -2.853) 10.408 7.451 ( 3.221 2.149 -1.973) 4.346 7.739 ( -4.027 1.361 -4.517) 6.203 7.827 ( -5.677 3.822 7.430) 10.102 7.879 ( -3.209 -4.554 6.582) 8.623 8.019 ( 5.814 -14.154 -1.717) 15.398 8.129 ( 0.097 6.293 1.832) 6.555 8.242 ( 6.206 -2.765 3.497) 7.641 8.424 ( -1.605 2.415 -1.325) 3.187 8.505 ( -4.982 -3.808 -1.641) 6.482 8.737 ( 3.287 2.675 -6.515) 7.771 8.784 ( 2.483 -1.853 -1.868) 3.618 9.108 ( 0.808 7.417 0.243) 7.465 9.186 ( -1.212 1.328 -6.335) 6.585 9.476 ( -0.817 0.484 -4.434) 4.534 9.533 ( 0.947 -5.089 -5.382) 7.468 10.330 ( -4.322 7.374 10.634) 13.644 10.499 ( -3.863 -7.448 8.867) 12.207 10.704 ( -0.553 2.888 1.823) 3.460 10.763 ( -1.065 -2.550 0.207) 2.771 11.064 ( 1.687 7.959 -4.907) 9.502 11.129 ( -2.183 2.767 -4.256) 5.526 11.160 ( -5.885 -2.504 1.250) 6.517 11.358 ( 11.244 -14.896 -9.963) 21.156 11.830 ( 1.545 2.525 -2.458) 3.847 11.888 ( 5.208 -2.673 -0.399) 5.867 12.473 ( -0.658 4.657 -0.109) 4.704 12.557 ( 1.216 -3.303 -4.544) 5.748 12.961 ( 0.801 3.558 -2.954) 4.694 12.973 ( 0.312 6.811 -1.033) 6.896 13.135 ( 0.393 -3.111 -1.875) 3.654 13.310 ( 6.824 -13.532 1.199) 15.202 13.861 ( -2.240 0.885 4.640) 5.228 13.892 ( -4.471 -2.985 5.431) 7.642 14.054 ( 0.984 6.995 -1.590) 7.240 14.158 ( 2.419 -1.518 -2.912) 4.079 14.401 ( 0.558 1.100 2.464) 2.755 14.518 ( 2.255 -8.249 -2.933) 9.040 15.090 ( -2.130 4.193 -0.143) 4.705 15.163 ( 4.664 -2.333 3.804) 6.455 15.920 ( -5.166 4.504 4.250) 8.065 16.009 ( -0.871 -3.563 5.582) 6.679 16.428 ( -0.416 4.912 1.360) 5.114 16.487 ( 2.846 -0.112 0.443) 2.882 16.639 ( 1.353 3.897 -6.281) 7.515 16.697 ( 2.268 -0.761 -7.207) 7.594 17.079 ( -5.820 0.903 0.557) 5.916 17.129 ( -4.551 -3.326 -1.084) 5.740 24.840 ( -7.003 4.163 1.407) 8.267 24.933 ( -7.193 -3.936 -0.286) 8.204 25.056 ( 4.180 0.311 3.804) 5.660 25.079 ( 2.793 -1.396 2.837) 4.219 25.566 ( -0.566 0.205 4.233) 4.276 25.592 ( -0.564 -1.977 4.318) 4.782 25.757 ( 0.054 -0.367 -0.755) 0.841 25.791 ( 0.603 -3.335 -1.366) 3.654 27.282 ( -2.559 4.501 3.164) 6.067 27.390 ( -3.159 -4.658 -0.538) 5.654 27.511 ( 0.979 4.274 -0.028) 4.385 27.638 ( 3.236 -6.430 -1.342) 7.322 29.654 ( 1.397 1.841 2.045) 3.086 29.692 ( 1.259 -1.589 -0.273) 2.046 31.038 ( 2.150 6.227 -4.663) 8.071 31.088 ( 1.972 1.401 -6.944) 7.353 ======================= Grid point 156 (88/104) ======================= q-point: (-0.17 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 5.326 15.123 11.030) 19.461 2.791 ( 6.921 -5.702 -2.018) 9.192 2.901 ( -18.553 18.088 1.838) 25.977 3.073 ( 1.730 7.310 5.126) 9.094 3.203 ( -5.202 -11.272 2.991) 12.769 3.273 ( 0.527 -3.551 -3.450) 4.979 3.398 ( 3.042 -6.707 0.312) 7.371 3.472 ( -4.268 -10.393 -3.547) 11.782 3.950 ( -4.581 7.145 -2.340) 8.804 4.057 ( -3.944 -2.505 -2.035) 5.096 4.189 ( 2.737 4.825 -1.211) 5.678 4.258 ( -2.347 -0.131 -2.404) 3.362 4.362 ( 5.181 5.294 -12.643) 14.654 4.506 ( 0.454 -4.410 -4.834) 6.559 4.640 ( -1.396 5.583 2.959) 6.471 4.708 ( 0.127 1.182 2.131) 2.441 4.955 ( 4.295 10.154 6.755) 12.930 5.074 ( 4.589 0.725 10.893) 11.842 5.143 ( 8.110 -0.854 4.810) 9.468 5.303 ( 6.959 -13.072 5.386) 15.758 5.487 ( -6.058 16.004 17.726) 24.638 5.609 ( 5.113 2.796 13.297) 14.518 5.928 ( 3.139 4.460 8.987) 10.512 6.022 ( -1.677 11.065 -5.874) 12.639 6.061 ( -1.468 -4.209 8.388) 9.499 6.153 ( 0.068 1.135 -8.974) 9.045 6.418 ( -0.252 0.029 4.763) 4.770 6.557 ( 0.110 -6.008 2.956) 6.697 6.678 ( 3.729 1.654 -3.502) 5.376 6.849 ( -1.449 -10.246 -11.583) 15.532 7.013 ( -4.212 4.539 -3.705) 7.216 7.063 ( -11.904 0.811 2.640) 12.220 7.279 ( 9.627 -0.360 0.106) 9.634 7.464 ( 3.319 -12.892 -9.089) 16.119 7.742 ( -1.697 12.846 -2.416) 13.181 7.818 ( -0.597 3.150 11.428) 11.869 7.907 ( 1.973 -0.525 5.583) 5.945 8.074 ( -2.419 8.698 3.593) 9.716 8.091 ( 1.657 -12.498 -2.812) 12.917 8.288 ( -2.336 -10.179 4.162) 11.242 8.418 ( 0.880 6.614 -1.073) 6.758 8.521 ( 5.027 -0.856 0.861) 5.172 8.719 ( 0.103 0.507 -5.985) 6.007 8.764 ( -1.785 -5.620 -3.979) 7.114 9.079 ( -1.843 6.938 -7.982) 10.735 9.160 ( 0.682 2.076 -1.985) 2.952 9.385 ( -4.400 2.563 -8.288) 9.727 9.501 ( -0.838 -7.129 -7.789) 10.592 10.322 ( -2.513 4.438 9.836) 11.079 10.453 ( -4.974 -7.469 7.292) 11.563 10.723 ( 0.754 2.863 1.740) 3.435 10.754 ( 1.380 -0.399 -2.513) 2.895 10.967 ( -6.318 1.990 0.712) 6.662 11.055 ( -7.674 -5.877 5.749) 11.247 11.195 ( 7.575 12.732 -7.204) 16.474 11.511 ( 9.446 -15.344 -12.092) 21.699 11.858 ( 4.421 4.091 -2.422) 6.492 11.971 ( 5.854 -5.489 -1.684) 8.200 12.411 ( -5.273 5.794 -2.659) 8.273 12.545 ( -2.379 -6.155 -2.338) 7.000 12.891 ( -4.330 5.411 -2.178) 7.265 12.963 ( -0.249 -2.105 -4.109) 4.624 13.150 ( 1.132 5.251 -4.386) 6.935 13.344 ( -1.637 -10.885 -5.709) 12.400 13.890 ( 0.586 0.226 9.418) 9.439 13.913 ( 3.832 -1.011 7.798) 8.747 14.089 ( 1.617 6.320 1.687) 6.739 14.217 ( 3.661 -4.539 0.788) 5.885 14.434 ( 2.374 2.498 0.834) 3.546 14.550 ( 1.576 -7.344 -2.961) 8.074 15.062 ( -0.182 9.371 1.151) 9.443 15.266 ( 3.805 -9.697 2.926) 10.820 15.892 ( -0.075 9.463 6.603) 11.539 16.050 ( 1.155 -5.640 7.078) 9.124 16.431 ( 0.577 4.512 0.379) 4.565 16.516 ( -0.096 -3.059 -2.273) 3.812 16.652 ( 4.197 4.912 -5.328) 8.374 16.699 ( 1.089 1.078 -5.136) 5.360 16.939 ( -8.297 0.348 -0.459) 8.317 16.999 ( -8.138 -4.482 -0.961) 9.340 24.730 ( -4.754 3.374 0.889) 5.897 24.795 ( -6.161 -2.479 -0.901) 6.702 25.149 ( 2.600 -0.091 5.692) 6.259 25.158 ( 2.923 -0.800 4.963) 5.815 25.571 ( -1.009 0.391 3.065) 3.251 25.599 ( -1.036 -2.116 3.824) 4.492 25.753 ( 0.060 0.571 -0.685) 0.893 25.805 ( 1.385 -4.286 -1.207) 4.663 27.237 ( -2.694 2.300 1.156) 3.726 27.317 ( -4.277 -5.205 -0.241) 6.741 27.541 ( 1.727 5.618 0.444) 5.894 27.672 ( 1.349 -6.301 -2.273) 6.833 29.689 ( 0.917 1.703 1.895) 2.707 29.722 ( 1.767 -1.221 -0.045) 2.149 31.060 ( 2.847 5.421 -5.167) 8.012 31.089 ( 1.820 2.533 -6.335) 7.061 ======================= Grid point 175 (89/104) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 6.254 0.000 -19.360) 20.345 2.425 ( -6.254 0.000 19.360) 20.345 2.845 ( -4.351 0.000 -28.013) 28.349 2.845 ( 4.351 0.000 28.013) 28.349 3.490 ( -1.614 0.000 -7.780) 7.946 3.490 ( 1.614 0.000 7.780) 7.946 3.743 ( -8.544 0.000 -7.289) 11.231 3.743 ( 8.544 0.000 7.289) 11.231 3.753 ( 1.309 0.000 -3.785) 4.005 3.753 ( -1.309 0.000 3.785) 4.005 4.078 ( -4.625 0.000 -1.260) 4.794 4.078 ( 4.625 0.000 1.260) 4.794 4.295 ( 1.324 0.000 -3.780) 4.006 4.295 ( -1.324 0.000 3.780) 4.006 4.574 ( 1.939 0.000 -8.988) 9.195 4.574 ( -1.939 0.000 8.988) 9.195 5.016 ( -4.736 0.000 -6.079) 7.706 5.016 ( 4.736 0.000 6.079) 7.706 5.174 ( -13.382 0.000 -14.990) 20.094 5.174 ( 13.382 0.000 14.990) 20.094 5.328 ( -4.153 0.000 -10.175) 10.989 5.328 ( 4.153 0.000 10.175) 10.989 5.688 ( 7.558 0.000 -17.485) 19.049 5.688 ( -7.558 0.000 17.485) 19.049 5.842 ( -9.013 0.000 -1.693) 9.171 5.842 ( 9.013 0.000 1.693) 9.171 6.472 ( -5.024 0.000 1.276) 5.184 6.472 ( 5.024 0.000 -1.276) 5.184 6.734 ( -0.795 0.000 -4.386) 4.457 6.734 ( 0.795 0.000 4.386) 4.457 7.042 ( -5.057 0.000 -8.567) 9.948 7.042 ( 5.057 0.000 8.567) 9.948 7.388 ( -12.721 0.000 0.601) 12.736 7.388 ( 12.721 0.000 -0.601) 12.736 7.544 ( 2.359 0.000 -1.493) 2.792 7.544 ( -2.359 0.000 1.493) 2.792 8.016 ( -7.223 0.000 -11.521) 13.598 8.016 ( 7.223 0.000 11.521) 13.598 8.224 ( -2.186 0.000 -8.969) 9.231 8.224 ( 2.186 0.000 8.969) 9.231 8.482 ( -5.176 0.000 -5.562) 7.598 8.482 ( 5.176 0.000 5.562) 7.598 8.949 ( -1.173 0.000 -11.882) 11.940 8.949 ( 1.173 0.000 11.882) 11.940 9.126 ( -2.909 0.000 -5.262) 6.012 9.126 ( 2.909 0.000 5.262) 6.012 9.377 ( 13.217 0.000 -9.103) 16.049 9.377 ( -13.217 0.000 9.103) 16.049 10.548 ( -9.257 0.000 2.613) 9.619 10.548 ( 9.257 0.000 -2.613) 9.619 10.611 ( 8.222 0.000 -7.955) 11.441 10.611 ( -8.222 0.000 7.955) 11.441 10.952 ( -6.691 0.000 -5.063) 8.391 10.952 ( 6.691 0.000 5.063) 8.391 11.791 ( -2.713 0.000 -2.004) 3.373 11.791 ( 2.713 0.000 2.004) 3.373 12.191 ( -5.346 0.000 -2.314) 5.825 12.191 ( 5.346 0.000 2.314) 5.825 12.385 ( -2.041 0.000 -2.267) 3.050 12.385 ( 2.041 0.000 2.267) 3.050 12.573 ( -7.696 0.000 -3.064) 8.283 12.573 ( 7.696 0.000 3.064) 8.283 13.343 ( -7.001 0.000 -3.470) 7.814 13.343 ( 7.001 0.000 3.470) 7.814 13.970 ( 5.572 0.000 -4.734) 7.312 13.970 ( -5.572 0.000 4.734) 7.312 14.342 ( -5.876 0.000 -13.537) 14.757 14.342 ( 5.876 0.000 13.537) 14.757 14.622 ( -6.734 0.000 -1.341) 6.866 14.622 ( 6.734 0.000 1.341) 6.866 15.106 ( -10.214 0.000 -6.196) 11.946 15.106 ( 10.214 0.000 6.196) 11.946 15.960 ( -15.364 0.000 -1.139) 15.406 15.960 ( 15.364 0.000 1.139) 15.406 16.389 ( -6.054 0.000 -2.590) 6.585 16.389 ( 6.054 0.000 2.590) 6.585 16.628 ( -1.869 0.000 -1.985) 2.727 16.628 ( 1.869 0.000 1.985) 2.727 16.939 ( 0.967 0.000 -5.698) 5.780 16.939 ( -0.967 0.000 5.698) 5.780 24.646 ( -1.441 0.000 -3.189) 3.500 24.646 ( 1.441 0.000 3.189) 3.500 25.282 ( 1.129 0.000 -5.529) 5.643 25.282 ( -1.129 0.000 5.529) 5.643 25.605 ( -2.621 0.000 -2.418) 3.566 25.605 ( 2.621 0.000 2.418) 3.566 26.015 ( -2.747 0.000 -5.130) 5.819 26.015 ( 2.747 0.000 5.130) 5.819 27.601 ( -1.974 0.000 -8.511) 8.737 27.601 ( 1.974 0.000 8.511) 8.737 27.737 ( 12.504 0.000 -12.224) 17.487 27.737 ( -12.504 0.000 12.224) 17.487 29.612 ( 0.480 0.000 -4.034) 4.063 29.612 ( -0.480 0.000 4.034) 4.063 30.519 ( 0.507 0.000 -3.067) 3.108 30.519 ( -0.507 0.000 3.067) 3.108 ======================= Grid point 177 (90/104) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 1.574 0.000 1.219) 1.991 2.466 ( 8.379 0.000 -21.815) 23.369 2.701 ( 1.861 0.000 -9.516) 9.697 3.066 ( 1.842 0.000 24.540) 24.609 3.266 ( -11.045 0.000 -3.195) 11.498 3.360 ( -15.076 0.000 5.723) 16.126 3.555 ( -10.556 0.000 -1.537) 10.667 3.687 ( -4.208 0.000 -1.034) 4.333 3.776 ( -0.061 0.000 1.030) 1.032 3.930 ( -7.794 0.000 -5.753) 9.688 4.025 ( 6.892 0.000 7.390) 10.105 4.092 ( -4.050 0.000 -1.130) 4.205 4.288 ( 1.450 0.000 -7.835) 7.968 4.313 ( 3.213 0.000 -1.816) 3.691 4.518 ( -4.206 0.000 -11.156) 11.923 4.570 ( -3.695 0.000 7.258) 8.145 4.835 ( -4.914 0.000 -8.749) 10.035 4.947 ( 0.116 0.000 -2.986) 2.989 5.160 ( 6.167 0.000 1.138) 6.271 5.242 ( 0.226 0.000 -10.532) 10.534 5.256 ( -2.664 0.000 1.934) 3.293 5.451 ( -2.417 0.000 -6.716) 7.138 5.573 ( -5.504 0.000 8.220) 9.893 5.609 ( -8.885 0.000 12.736) 15.529 5.984 ( 14.443 0.000 2.427) 14.646 6.063 ( 7.883 0.000 10.624) 13.229 6.388 ( -3.872 0.000 0.044) 3.873 6.550 ( 2.757 0.000 -2.251) 3.559 6.750 ( 3.529 0.000 -4.652) 5.839 6.788 ( 0.087 0.000 8.862) 8.862 6.940 ( 1.924 0.000 -4.620) 5.004 7.179 ( 6.114 0.000 9.555) 11.343 7.249 ( -2.431 0.000 3.702) 4.428 7.554 ( 4.118 0.000 -1.604) 4.420 7.628 ( 6.429 0.000 -4.246) 7.705 7.693 ( 15.606 0.000 5.361) 16.501 7.817 ( -6.341 0.000 -9.109) 11.098 8.112 ( -0.025 0.000 -3.970) 3.970 8.163 ( -3.490 0.000 5.138) 6.212 8.332 ( 2.677 0.000 11.635) 11.939 8.455 ( 5.267 0.000 -1.241) 5.411 8.600 ( 3.818 0.000 -0.833) 3.908 8.858 ( -0.675 0.000 -5.157) 5.201 8.935 ( -8.044 0.000 6.362) 10.255 9.034 ( -3.994 0.000 -8.833) 9.694 9.076 ( -11.147 0.000 -3.323) 11.632 9.306 ( 1.142 0.000 15.474) 15.516 9.518 ( 7.210 0.000 -11.410) 13.497 10.384 ( -8.849 0.000 3.539) 9.530 10.466 ( -6.022 0.000 -3.341) 6.887 10.701 ( 5.369 0.000 -5.693) 7.826 10.726 ( 7.142 0.000 7.357) 10.253 10.887 ( 0.383 0.000 -2.064) 2.099 11.202 ( 15.527 0.000 7.689) 17.327 11.664 ( -8.290 0.000 -7.285) 11.036 11.814 ( 1.546 0.000 -4.925) 5.162 12.078 ( -4.158 0.000 -5.547) 6.933 12.208 ( -7.225 0.000 3.376) 7.975 12.331 ( -5.585 0.000 0.737) 5.633 12.355 ( 3.733 0.000 -3.787) 5.318 12.528 ( -0.589 0.000 5.936) 5.965 12.738 ( 2.191 0.000 9.801) 10.043 13.176 ( -5.353 0.000 -6.073) 8.095 13.468 ( 5.855 0.000 1.968) 6.177 13.987 ( 3.184 0.000 8.615) 9.184 14.048 ( -0.356 0.000 -7.811) 7.819 14.183 ( -0.233 0.000 -5.887) 5.891 14.420 ( -2.717 0.000 -0.476) 2.758 14.581 ( 0.396 0.000 11.043) 11.050 14.762 ( 6.990 0.000 -0.662) 7.021 14.890 ( -8.000 0.000 -6.258) 10.157 15.284 ( 4.664 0.000 -0.442) 4.684 15.661 ( -12.959 0.000 0.423) 12.966 16.186 ( 6.039 0.000 0.145) 6.041 16.236 ( -5.035 0.000 -5.267) 7.286 16.453 ( -0.095 0.000 -3.076) 3.078 16.538 ( -3.548 0.000 -2.188) 4.169 16.597 ( -4.618 0.000 0.865) 4.698 17.015 ( 7.296 0.000 -1.054) 7.372 17.038 ( 5.792 0.000 7.116) 9.175 24.656 ( 3.852 0.000 -2.062) 4.369 24.733 ( 5.217 0.000 4.253) 6.731 25.254 ( -0.697 0.000 -5.557) 5.600 25.262 ( -3.846 0.000 4.393) 5.839 25.573 ( -0.118 0.000 -0.018) 0.120 25.673 ( 2.614 0.000 1.534) 3.030 25.972 ( 0.832 0.000 -2.463) 2.599 26.111 ( 3.174 0.000 8.919) 9.467 27.495 ( -4.394 0.000 -10.031) 10.951 27.501 ( -16.478 0.000 5.308) 17.312 27.669 ( 0.785 0.000 7.538) 7.579 27.827 ( 5.072 0.000 -13.399) 14.326 29.630 ( 3.559 0.000 -4.404) 5.662 29.650 ( 1.491 0.000 4.994) 5.211 30.517 ( 0.801 0.000 -2.249) 2.387 30.527 ( -0.348 0.000 2.932) 2.953 ======================= Grid point 178 (91/104) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 5.299 0.000 -14.743) 15.667 2.509 ( 10.222 0.000 -11.726) 15.556 2.758 ( -0.837 0.000 2.577) 2.710 3.001 ( -9.246 0.000 -5.294) 10.655 3.137 ( -8.767 0.000 9.573) 12.981 3.262 ( -4.748 0.000 11.685) 12.613 3.345 ( -6.686 0.000 12.930) 14.556 3.573 ( -5.804 0.000 -3.157) 6.608 3.693 ( -9.536 0.000 -9.278) 13.305 3.813 ( 5.529 0.000 -4.639) 7.217 3.920 ( -12.360 0.000 -3.894) 12.959 4.022 ( -5.719 0.000 0.879) 5.786 4.304 ( 3.592 0.000 -3.395) 4.943 4.363 ( 2.294 0.000 -2.264) 3.223 4.495 ( 4.204 0.000 -2.154) 4.723 4.534 ( -2.196 0.000 3.445) 4.085 4.846 ( 6.247 0.000 -8.917) 10.887 4.953 ( -3.322 0.000 11.261) 11.741 5.162 ( 2.313 0.000 -10.373) 10.628 5.183 ( -0.102 0.000 -11.066) 11.066 5.299 ( 3.079 0.000 -3.178) 4.425 5.345 ( -6.635 0.000 4.811) 8.196 5.488 ( -10.300 0.000 16.450) 19.408 5.515 ( -3.411 0.000 -1.349) 3.668 6.208 ( 6.896 0.000 5.816) 9.021 6.232 ( 4.777 0.000 7.978) 9.299 6.362 ( 1.327 0.000 -0.741) 1.520 6.514 ( -4.434 0.000 -1.789) 4.781 6.804 ( 7.719 0.000 -12.424) 14.627 6.833 ( -1.216 0.000 13.248) 13.303 7.047 ( 6.186 0.000 1.081) 6.279 7.198 ( -1.524 0.000 -5.737) 5.936 7.471 ( 13.973 0.000 12.572) 18.796 7.627 ( 4.454 0.000 -1.768) 4.792 7.692 ( 1.572 0.000 -2.099) 2.622 7.768 ( 5.516 0.000 0.240) 5.521 7.898 ( -2.432 0.000 8.337) 8.685 8.078 ( 0.193 0.000 -10.263) 10.265 8.177 ( 5.315 0.000 7.494) 9.187 8.401 ( -0.195 0.000 4.539) 4.544 8.588 ( 7.060 0.000 3.889) 8.060 8.620 ( 1.565 0.000 -5.160) 5.392 8.762 ( -10.463 0.000 5.271) 11.716 8.817 ( -7.135 0.000 2.699) 7.628 8.879 ( -6.708 0.000 -8.227) 10.615 8.920 ( -0.590 0.000 -11.202) 11.218 9.396 ( -0.174 0.000 13.482) 13.483 9.528 ( 1.025 0.000 -11.868) 11.912 10.295 ( -4.287 0.000 9.932) 10.818 10.368 ( -1.205 0.000 -9.214) 9.292 10.770 ( 5.375 0.000 -5.272) 7.529 10.849 ( -0.229 0.000 6.574) 6.578 10.957 ( 8.655 0.000 3.498) 9.335 11.421 ( -8.857 0.000 -8.098) 12.001 11.556 ( 11.938 0.000 8.839) 14.854 11.808 ( 1.060 0.000 -8.358) 8.425 11.995 ( -0.259 0.000 -6.445) 6.450 12.078 ( -6.499 0.000 3.586) 7.423 12.271 ( -2.196 0.000 4.658) 5.150 12.408 ( 2.149 0.000 -0.796) 2.292 12.532 ( -1.908 0.000 3.307) 3.818 12.634 ( -12.452 0.000 -1.402) 12.530 13.222 ( 8.407 0.000 5.630) 10.118 13.561 ( 1.201 0.000 -1.552) 1.963 13.925 ( -0.962 0.000 -6.716) 6.784 14.109 ( 4.289 0.000 5.661) 7.103 14.222 ( 0.848 0.000 0.478) 0.973 14.289 ( -9.758 0.000 -6.401) 11.671 14.662 ( 4.121 0.000 10.060) 10.871 14.820 ( 0.334 0.000 4.034) 4.048 14.842 ( 3.168 0.000 -5.357) 6.224 15.151 ( -11.307 0.000 -10.583) 15.487 15.654 ( 6.246 0.000 7.212) 9.541 16.033 ( -8.797 0.000 -6.464) 10.916 16.327 ( 4.908 0.000 0.333) 4.919 16.390 ( -2.355 0.000 -1.586) 2.839 16.500 ( -0.574 0.000 -4.395) 4.432 16.506 ( -5.372 0.000 2.367) 5.870 17.142 ( 5.806 0.000 -0.133) 5.807 17.165 ( 3.769 0.000 4.328) 5.739 24.752 ( 6.878 0.000 -1.316) 7.003 24.847 ( 3.625 0.000 3.502) 5.040 25.200 ( -4.744 0.000 4.517) 6.551 25.207 ( -1.106 0.000 -5.492) 5.602 25.593 ( 1.535 0.000 2.028) 2.543 25.688 ( -0.961 0.000 -1.621) 1.884 26.036 ( 6.745 0.000 -1.674) 6.950 26.195 ( -1.110 0.000 11.594) 11.647 27.255 ( -9.314 0.000 -0.215) 9.317 27.340 ( -6.292 0.000 -9.288) 11.219 27.719 ( 0.488 0.000 7.566) 7.581 27.814 ( 1.059 0.000 -10.981) 11.032 29.678 ( 3.994 0.000 -5.378) 6.699 29.697 ( 0.191 0.000 5.736) 5.739 30.524 ( 0.921 0.000 -1.213) 1.522 30.534 ( -0.359 0.000 2.016) 2.047 ======================= Grid point 179 (92/104) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -8.056 0.000 -3.489) 8.779 2.582 ( 8.056 0.000 3.489) 8.779 2.746 ( -11.772 0.000 -7.059) 13.726 2.746 ( 11.772 0.000 7.059) 13.726 3.153 ( -3.552 0.000 -0.744) 3.629 3.153 ( 3.552 0.000 0.744) 3.629 3.466 ( -3.528 0.000 -15.910) 16.296 3.466 ( 3.528 0.000 15.910) 16.296 3.655 ( -9.302 0.000 -6.114) 11.132 3.655 ( 9.302 0.000 6.114) 11.132 3.917 ( 6.826 0.000 -3.242) 7.557 3.917 ( -6.826 0.000 3.242) 7.557 4.355 ( -2.097 0.000 -0.369) 2.129 4.355 ( 2.097 0.000 0.369) 2.129 4.530 ( 0.835 0.000 -2.734) 2.859 4.530 ( -0.835 0.000 2.734) 2.859 4.915 ( 7.572 0.000 -14.713) 16.547 4.915 ( -7.572 0.000 14.713) 16.547 5.188 ( 1.548 0.000 -4.910) 5.148 5.188 ( -1.548 0.000 4.910) 5.148 5.255 ( 1.887 0.000 -6.280) 6.557 5.255 ( -1.887 0.000 6.280) 6.557 5.471 ( 0.525 0.000 -7.250) 7.269 5.471 ( -0.525 0.000 7.250) 7.269 6.296 ( -0.388 0.000 -0.946) 1.023 6.296 ( 0.388 0.000 0.946) 1.023 6.418 ( -4.783 0.000 0.723) 4.837 6.418 ( 4.783 0.000 -0.723) 4.837 6.860 ( 4.747 0.000 -14.372) 15.136 6.860 ( -4.747 0.000 14.372) 15.136 7.128 ( -2.515 0.000 -3.480) 4.294 7.128 ( 2.515 0.000 3.480) 4.294 7.660 ( -0.319 0.000 -3.807) 3.820 7.660 ( 0.319 0.000 3.807) 3.820 7.791 ( 10.416 0.000 -4.070) 11.183 7.791 ( -10.416 0.000 4.070) 11.183 7.942 ( -7.533 0.000 -11.496) 13.744 7.942 ( 7.533 0.000 11.496) 13.744 8.348 ( -5.568 0.000 -7.401) 9.262 8.348 ( 5.568 0.000 7.401) 9.262 8.636 ( 5.508 0.000 -5.912) 8.081 8.636 ( -5.508 0.000 5.912) 8.081 8.723 ( 4.346 0.000 -3.579) 5.630 8.723 ( -4.346 0.000 3.579) 5.630 8.824 ( -4.783 0.000 -2.711) 5.498 8.824 ( 4.783 0.000 2.711) 5.498 9.463 ( -0.491 0.000 -12.170) 12.179 9.463 ( 0.491 0.000 12.170) 12.179 10.311 ( 1.160 0.000 -12.600) 12.653 10.311 ( -1.160 0.000 12.600) 12.653 10.834 ( 3.965 0.000 -5.054) 6.424 10.834 ( -3.965 0.000 5.054) 6.424 11.179 ( -11.001 0.000 -7.861) 13.521 11.179 ( 11.001 0.000 7.861) 13.521 11.749 ( -3.767 0.000 -5.718) 6.847 11.749 ( 3.767 0.000 5.718) 6.847 12.019 ( -2.576 0.000 0.084) 2.577 12.019 ( 2.576 0.000 -0.084) 2.577 12.334 ( -7.634 0.000 -3.345) 8.334 12.334 ( 7.634 0.000 3.345) 8.334 12.505 ( 1.279 0.000 -1.742) 2.161 12.505 ( -1.279 0.000 1.742) 2.161 13.436 ( -8.805 0.000 -9.575) 13.008 13.436 ( 8.805 0.000 9.575) 13.008 14.044 ( -11.207 0.000 -5.295) 12.395 14.044 ( 11.207 0.000 5.295) 12.395 14.193 ( -2.959 0.000 -1.677) 3.401 14.193 ( 2.959 0.000 1.677) 3.401 14.825 ( -2.428 0.000 -8.436) 8.778 14.825 ( 2.428 0.000 8.436) 8.778 14.899 ( -7.740 0.000 -9.647) 12.368 14.899 ( 7.740 0.000 9.647) 12.368 15.836 ( -8.698 0.000 -6.629) 10.936 15.836 ( 8.698 0.000 6.629) 10.936 16.375 ( 0.640 0.000 -2.253) 2.342 16.375 ( -0.640 0.000 2.253) 2.342 16.464 ( 0.863 0.000 -6.641) 6.697 16.464 ( -0.863 0.000 6.641) 6.697 17.205 ( 1.164 0.000 -1.585) 1.966 17.205 ( -1.164 0.000 1.585) 1.966 24.859 ( -4.009 0.000 1.329) 4.224 24.859 ( 4.009 0.000 -1.329) 4.224 25.169 ( 0.922 0.000 -5.799) 5.872 25.169 ( -0.922 0.000 5.799) 5.872 25.642 ( -2.195 0.000 -2.617) 3.416 25.642 ( 2.195 0.000 2.617) 3.416 26.160 ( 7.561 0.000 -6.732) 10.123 26.160 ( -7.561 0.000 6.732) 10.123 27.207 ( -2.768 0.000 -3.885) 4.771 27.207 ( 2.768 0.000 3.885) 4.771 27.768 ( -0.174 0.000 -8.745) 8.747 27.768 ( 0.174 0.000 8.745) 8.747 29.709 ( 2.245 0.000 -5.805) 6.224 29.709 ( -2.245 0.000 5.805) 6.224 30.534 ( 0.632 0.000 -1.121) 1.287 30.534 ( -0.632 0.000 1.121) 1.287 ======================= Grid point 183 (93/104) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 6.031 4.042 -17.657) 19.091 2.467 ( -6.031 4.042 17.657) 19.091 2.805 ( -2.529 -2.907 -24.219) 24.524 2.805 ( 2.529 -2.907 24.219) 24.524 3.518 ( -13.791 1.640 -2.806) 14.169 3.518 ( 13.791 1.640 2.806) 14.169 3.659 ( -0.920 -3.231 -1.032) 3.515 3.659 ( 0.920 -3.231 1.032) 3.515 3.820 ( -7.464 0.383 -5.703) 9.401 3.820 ( 7.464 0.383 5.703) 9.401 4.050 ( 4.443 -2.164 -6.029) 7.795 4.050 ( -4.443 -2.164 6.029) 7.795 4.285 ( -2.503 1.829 -1.221) 3.332 4.285 ( 2.503 1.829 1.221) 3.332 4.665 ( 1.536 5.450 -4.351) 7.141 4.665 ( -1.536 5.450 4.351) 7.141 5.060 ( -5.577 5.332 -10.485) 13.019 5.060 ( 5.577 5.332 10.485) 13.019 5.147 ( -8.054 0.337 -10.043) 12.878 5.147 ( 8.054 0.337 10.043) 12.878 5.498 ( 6.206 11.637 -10.171) 16.655 5.498 ( -6.206 11.637 10.171) 16.655 5.688 ( -4.467 -0.117 -13.170) 13.907 5.688 ( 4.467 -0.117 13.170) 13.907 5.900 ( -3.931 6.538 -6.272) 9.876 5.900 ( 3.931 6.538 6.272) 9.876 6.480 ( -3.571 -0.650 -0.828) 3.723 6.480 ( 3.571 -0.650 0.828) 3.723 6.695 ( -3.742 -2.984 -6.687) 8.223 6.695 ( 3.742 -2.984 6.687) 8.223 7.011 ( -6.349 -1.172 -6.584) 9.221 7.011 ( 6.349 -1.172 6.584) 9.221 7.393 ( 3.252 0.779 -3.847) 5.097 7.393 ( -3.252 0.779 3.847) 5.097 7.655 ( -4.510 8.083 -0.613) 9.276 7.655 ( 4.510 8.083 0.613) 9.276 8.068 ( -7.479 4.579 -11.023) 14.086 8.068 ( 7.479 4.579 11.023) 14.086 8.213 ( 0.259 -1.550 -6.787) 6.967 8.213 ( -0.259 -1.550 6.787) 6.967 8.438 ( -4.635 -3.334 -6.293) 8.497 8.438 ( 4.635 -3.334 6.293) 8.497 8.923 ( 1.176 -5.587 -6.532) 8.675 8.923 ( -1.176 -5.587 6.532) 8.675 9.072 ( -6.768 -0.562 -5.907) 9.001 9.072 ( 6.768 -0.562 5.907) 9.001 9.368 ( 6.616 -1.936 -9.865) 12.034 9.368 ( -6.616 -1.936 9.865) 12.034 10.558 ( 1.327 0.245 -10.628) 10.713 10.558 ( -1.327 0.245 10.628) 10.713 10.638 ( 2.762 2.761 -6.725) 7.777 10.638 ( -2.762 2.761 6.725) 7.777 10.906 ( -5.900 -3.408 -5.432) 8.713 10.906 ( 5.900 -3.408 5.432) 8.713 11.688 ( 3.366 -8.933 -9.982) 13.812 11.688 ( -3.366 -8.933 9.982) 13.812 12.122 ( -8.093 -3.804 0.651) 8.966 12.122 ( 8.093 -3.804 -0.651) 8.966 12.414 ( -7.978 1.187 -4.981) 9.480 12.414 ( 7.978 1.187 4.981) 9.480 12.698 ( -7.277 9.015 -7.718) 13.921 12.698 ( 7.277 9.015 7.718) 13.921 13.243 ( -5.078 -7.626 -7.381) 11.766 13.243 ( 5.078 -7.626 7.381) 11.766 14.003 ( -1.066 2.340 -4.722) 5.377 14.003 ( 1.066 2.340 4.722) 5.377 14.332 ( -5.628 -0.789 -11.351) 12.694 14.332 ( 5.628 -0.789 11.351) 12.694 14.585 ( -5.941 -3.594 -3.622) 7.832 14.585 ( 5.941 -3.594 3.622) 7.832 15.117 ( -12.289 1.443 -8.263) 14.879 15.117 ( 12.289 1.443 8.263) 14.879 16.000 ( -12.954 3.229 -5.449) 14.420 16.000 ( 12.954 3.229 5.449) 14.420 16.394 ( -4.490 0.653 -2.989) 5.433 16.394 ( 4.490 0.653 2.989) 5.433 16.628 ( -0.490 0.086 -1.960) 2.023 16.628 ( 0.490 0.086 1.960) 2.023 16.932 ( -0.243 -0.864 -4.790) 4.873 16.932 ( 0.243 -0.864 4.790) 4.873 24.656 ( -1.452 0.927 -2.947) 3.414 24.656 ( 1.452 0.927 2.947) 3.414 25.280 ( 1.772 -0.233 -4.954) 5.267 25.280 ( -1.772 -0.233 4.954) 5.267 25.602 ( -1.687 -0.174 -2.515) 3.033 25.602 ( 1.687 -0.174 2.515) 3.033 25.976 ( -2.061 -3.653 -4.873) 6.429 25.976 ( 2.061 -3.653 4.873) 6.429 27.523 ( -6.182 -7.731 -1.827) 10.066 27.523 ( 6.182 -7.731 1.827) 10.066 27.684 ( -3.019 -2.969 -6.737) 7.957 27.684 ( 3.019 -2.969 6.737) 7.957 29.641 ( 2.835 2.373 -3.872) 5.354 29.641 ( -2.835 2.373 3.872) 5.354 30.642 ( 1.790 10.355 -4.115) 11.285 30.642 ( -1.790 10.355 4.115) 11.285 ======================= Grid point 185 (94/104) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 0.778 2.644 -1.815) 3.300 2.528 ( 10.100 5.688 -18.604) 21.920 2.711 ( 2.075 1.282 -3.773) 4.493 2.978 ( 0.505 -9.374 16.701) 19.159 3.172 ( -14.734 0.995 3.803) 15.249 3.478 ( -10.541 3.497 -0.712) 11.129 3.598 ( -8.403 0.604 5.978) 10.331 3.662 ( -4.851 -1.208 -4.304) 6.597 3.759 ( -0.292 0.592 2.336) 2.428 3.928 ( -7.914 -1.179 -0.505) 8.017 4.044 ( 1.611 0.093 -3.886) 4.208 4.070 ( 5.826 2.653 5.511) 8.447 4.288 ( 6.037 -2.826 -1.126) 6.760 4.408 ( 6.279 6.131 0.210) 8.779 4.517 ( -6.683 1.927 3.948) 7.997 4.680 ( -15.412 7.712 -16.328) 23.741 4.822 ( 2.551 0.438 -0.447) 2.627 5.042 ( 3.278 9.237 -12.115) 15.583 5.206 ( 6.035 5.115 -0.680) 7.940 5.266 ( 2.293 0.025 -2.569) 3.443 5.388 ( -10.025 10.124 5.619) 15.315 5.444 ( -8.892 -0.211 -2.764) 9.314 5.502 ( -1.963 3.652 -0.377) 4.163 5.771 ( -6.079 7.851 8.172) 12.860 5.983 ( 7.872 -4.466 3.819) 9.823 6.076 ( 7.389 5.745 6.664) 11.490 6.388 ( -1.571 -0.010 -1.332) 2.059 6.554 ( 3.446 -0.408 -2.022) 4.016 6.672 ( 4.470 -3.588 -6.085) 8.360 6.830 ( 2.912 1.201 9.664) 10.164 6.928 ( 2.717 -0.467 -3.447) 4.414 7.148 ( 4.630 -1.477 7.156) 8.651 7.332 ( -4.808 4.779 6.479) 9.377 7.528 ( 9.405 -4.540 -0.030) 10.443 7.626 ( 3.497 5.616 1.753) 6.844 7.819 ( 8.672 6.907 -2.498) 11.364 7.853 ( -6.050 3.448 -5.472) 8.856 8.086 ( -2.447 -2.219 -7.216) 7.936 8.165 ( -4.000 -1.567 -0.520) 4.327 8.328 ( 2.930 2.420 11.352) 11.971 8.436 ( 6.495 -2.515 3.251) 7.686 8.616 ( 8.122 -0.846 2.121) 8.437 8.822 ( -7.188 -7.405 -1.464) 10.424 8.877 ( -4.608 1.268 -6.029) 7.693 8.927 ( -6.140 -6.973 -0.677) 9.316 9.106 ( -6.248 0.906 -5.438) 8.332 9.308 ( 1.540 -0.317 13.308) 13.400 9.508 ( 7.238 -1.512 -7.350) 10.426 10.425 ( -5.533 2.159 -1.728) 6.185 10.489 ( -8.395 3.355 2.420) 9.359 10.693 ( 6.444 -0.406 -4.569) 7.910 10.755 ( 5.797 2.515 3.348) 7.152 10.840 ( 0.508 -3.728 -1.767) 4.157 11.141 ( 14.377 -5.454 7.016) 16.902 11.629 ( -5.432 -7.935 2.786) 10.011 11.647 ( -1.803 -6.695 -14.503) 16.076 12.010 ( -4.674 -8.211 5.751) 11.061 12.188 ( -11.762 -2.909 -0.018) 12.117 12.257 ( 4.451 -0.040 -2.714) 5.214 12.532 ( 2.483 8.050 0.028) 8.425 12.558 ( -4.610 5.154 -0.063) 6.915 12.854 ( 1.664 7.239 7.743) 10.730 13.134 ( -0.433 -2.802 -5.058) 5.798 13.390 ( 6.697 -6.853 6.441) 11.546 13.945 ( -0.448 -1.533 2.807) 3.230 14.098 ( -0.455 2.201 -5.994) 6.401 14.170 ( -1.774 -0.939 -4.662) 5.076 14.393 ( -3.718 -1.588 -2.400) 4.701 14.550 ( 2.901 -4.803 7.988) 9.762 14.722 ( 6.224 -3.767 0.910) 7.332 14.850 ( -10.210 -0.245 -4.240) 11.058 15.398 ( 12.086 7.247 4.070) 14.669 15.654 ( -17.608 0.578 -5.555) 18.472 16.202 ( 1.273 0.889 -2.096) 2.608 16.277 ( -0.605 4.170 -0.592) 4.255 16.440 ( -1.132 -0.989 -1.224) 1.939 16.571 ( -2.256 2.733 -2.649) 4.425 16.594 ( -3.725 -0.383 -0.504) 3.779 16.997 ( 7.097 -1.592 -0.035) 7.274 17.039 ( 6.099 -0.251 5.938) 8.516 24.666 ( 3.773 0.954 -1.835) 4.303 24.743 ( 5.407 0.872 4.034) 6.802 25.243 ( -4.197 -1.342 2.879) 5.264 25.264 ( -0.612 0.503 -4.957) 5.020 25.575 ( -0.155 0.278 0.190) 0.371 25.659 ( 2.112 -1.201 1.610) 2.915 25.933 ( 0.098 -3.496 -2.313) 4.193 26.055 ( 2.372 -5.316 6.675) 8.857 27.357 ( -9.928 -7.688 0.284) 12.559 27.537 ( -6.147 0.354 -8.323) 10.353 27.626 ( 3.430 -4.705 2.890) 6.500 27.780 ( 3.525 -4.000 -2.423) 5.856 29.612 ( -1.294 0.698 3.417) 3.720 29.684 ( 2.552 1.349 -2.809) 4.028 30.636 ( -1.187 9.476 4.137) 10.407 30.656 ( 1.749 11.040 -3.732) 11.784 ======================= Grid point 186 (95/104) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 4.371 1.450 -13.481) 14.246 2.627 ( 3.043 4.907 -7.973) 9.844 2.718 ( 1.586 2.458 0.937) 3.072 2.975 ( 1.381 -3.820 5.232) 6.624 3.172 ( -0.752 0.352 14.382) 14.406 3.319 ( -6.096 5.743 2.653) 8.785 3.403 ( -13.867 6.894 7.759) 17.321 3.520 ( -6.433 -5.423 -9.267) 12.517 3.684 ( -6.248 4.450 -3.609) 8.477 3.811 ( -1.591 -2.197 6.960) 7.470 3.977 ( -4.434 5.377 -7.378) 10.149 4.081 ( -6.376 4.642 -5.869) 9.831 4.362 ( 1.651 1.208 -6.784) 7.086 4.396 ( -4.493 3.600 -0.455) 5.776 4.506 ( 4.589 -2.962 9.554) 11.005 4.577 ( 5.846 6.225 -1.342) 8.645 4.871 ( 2.909 0.818 -1.865) 3.551 5.054 ( -3.412 8.818 0.203) 9.457 5.162 ( 0.008 -0.164 -13.581) 13.582 5.275 ( -0.193 0.075 -4.879) 4.883 5.295 ( 1.076 9.601 -3.657) 10.330 5.395 ( -0.369 7.362 5.360) 9.114 5.456 ( -2.859 0.229 2.770) 3.987 5.625 ( -11.924 7.168 8.723) 16.421 6.109 ( 4.068 -8.931 4.352) 10.736 6.187 ( 2.322 -1.732 2.914) 4.109 6.436 ( 4.487 5.046 1.496) 6.916 6.547 ( -1.786 1.831 -0.873) 2.703 6.782 ( 8.546 -1.943 -7.863) 11.775 6.871 ( -1.326 2.039 7.658) 8.035 7.027 ( 5.014 -1.473 0.125) 5.227 7.190 ( -1.995 0.221 -4.359) 4.799 7.404 ( 7.075 -6.637 11.562) 15.093 7.573 ( -1.000 -4.416 0.412) 4.546 7.739 ( 2.968 3.489 0.181) 4.584 7.809 ( 3.194 6.522 -2.563) 7.700 7.970 ( 3.033 3.996 4.973) 7.064 8.090 ( 8.611 -2.096 -3.252) 9.440 8.108 ( -0.556 -3.953 -2.042) 4.484 8.372 ( -0.982 -0.733 5.640) 5.772 8.601 ( 5.756 1.032 4.704) 7.505 8.633 ( -6.130 -5.618 2.434) 8.664 8.743 ( -1.435 -2.698 1.170) 3.272 8.752 ( -6.086 -2.824 -7.879) 10.349 8.831 ( -2.479 1.579 0.642) 3.008 8.944 ( -4.787 1.126 -9.167) 10.403 9.416 ( 2.349 1.285 10.365) 10.706 9.550 ( 1.443 0.963 -7.188) 7.394 10.345 ( -3.178 4.145 2.340) 5.723 10.379 ( -3.011 1.630 -3.142) 4.647 10.763 ( 4.622 -0.508 -5.068) 6.878 10.821 ( -0.647 -2.361 4.163) 4.829 10.951 ( 9.456 0.013 4.305) 10.390 11.384 ( -2.063 -4.705 -4.177) 6.621 11.496 ( 4.718 -5.993 -1.104) 7.706 11.609 ( 0.600 -11.091 -1.688) 11.235 11.963 ( -7.924 -10.482 3.993) 13.734 11.989 ( -3.801 -2.013 0.582) 4.340 12.324 ( 3.552 3.817 -1.385) 5.395 12.466 ( -3.652 4.034 -0.479) 5.463 12.574 ( 0.393 6.690 1.861) 6.955 12.764 ( -8.986 7.170 -2.006) 11.670 13.250 ( 9.553 1.883 6.257) 11.574 13.540 ( 4.576 -2.807 3.614) 6.472 13.896 ( -4.446 -1.484 -5.386) 7.140 14.044 ( 1.104 -5.683 0.932) 5.864 14.188 ( 0.590 -2.459 -1.379) 2.881 14.243 ( -7.689 -3.142 -7.065) 10.905 14.665 ( 2.435 -7.710 9.422) 12.415 14.744 ( -1.403 0.890 0.759) 1.827 14.814 ( 5.621 -0.695 -0.985) 5.749 15.273 ( -14.025 6.579 -10.294) 18.600 15.670 ( 10.012 2.872 6.754) 12.414 16.059 ( -8.135 2.261 -5.149) 9.889 16.362 ( 3.877 2.492 -3.041) 5.522 16.403 ( -0.298 1.330 2.415) 2.774 16.495 ( -5.958 0.122 3.556) 6.940 16.538 ( -0.908 2.471 -5.845) 6.411 17.131 ( 6.128 -1.047 0.277) 6.223 17.163 ( 3.724 -0.338 3.879) 5.388 24.763 ( 6.983 1.002 -1.079) 7.137 24.864 ( 4.218 1.521 3.562) 5.726 25.170 ( -4.776 -2.432 3.478) 6.390 25.211 ( -1.922 0.122 -5.478) 5.807 25.594 ( 1.375 0.059 1.772) 2.244 25.674 ( -0.761 -1.213 -0.869) 1.676 25.968 ( 4.519 -5.574 -1.031) 7.249 26.106 ( -1.531 -7.976 6.851) 10.626 27.215 ( -4.355 -1.706 1.119) 4.809 27.373 ( -6.353 1.894 -9.185) 11.327 27.694 ( 2.145 -2.813 4.240) 5.522 27.792 ( 0.128 -2.526 -4.570) 5.223 29.629 ( 1.063 -1.760 3.165) 3.774 29.696 ( 0.267 -0.877 -2.630) 2.785 30.642 ( -0.552 9.247 4.264) 10.197 30.663 ( 1.067 10.761 -3.808) 11.465 ======================= Grid point 187 (96/104) ======================= q-point: (-0.50 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 4.461 -0.883 -12.528) 13.328 2.527 ( -4.461 -0.883 12.528) 13.328 2.906 ( -0.923 9.180 -9.167) 13.006 2.906 ( 0.923 9.180 9.167) 13.006 3.203 ( -2.398 3.374 -9.644) 10.495 3.203 ( 2.398 3.374 9.644) 10.495 3.372 ( -2.969 -3.316 -10.427) 11.337 3.372 ( 2.969 -3.316 10.427) 11.337 3.732 ( -9.085 5.242 -2.831) 10.865 3.732 ( 9.085 5.242 2.831) 10.865 3.936 ( -4.678 2.254 -2.341) 5.696 3.936 ( 4.678 2.254 2.341) 5.696 4.364 ( 1.204 0.769 -3.317) 3.611 4.364 ( -1.204 0.769 3.317) 3.611 4.612 ( -0.830 4.143 -5.670) 7.071 4.612 ( 0.830 4.143 5.670) 7.071 4.936 ( 3.483 -0.613 -7.734) 8.505 4.936 ( -3.483 -0.613 7.734) 8.505 5.205 ( 6.297 4.558 -8.147) 11.261 5.205 ( -6.297 4.558 8.147) 11.261 5.342 ( 5.941 7.956 -12.064) 15.625 5.342 ( -5.941 7.956 12.064) 15.625 5.496 ( 3.345 3.813 -6.884) 8.551 5.496 ( -3.345 3.813 6.884) 8.551 6.188 ( -0.686 -7.398 -3.300) 8.129 6.188 ( 0.686 -7.398 3.300) 8.129 6.509 ( 1.578 4.888 -6.059) 7.943 6.509 ( -1.578 4.888 6.059) 7.943 6.862 ( 4.146 -0.029 -10.413) 11.208 6.862 ( -4.146 -0.029 10.413) 11.208 7.105 ( -3.602 -1.475 -3.075) 4.960 7.105 ( 3.602 -1.475 3.075) 4.960 7.550 ( 0.949 -12.113 -7.584) 14.323 7.550 ( -0.949 -12.113 7.584) 14.323 7.795 ( -1.041 7.716 -2.657) 8.227 7.795 ( 1.041 7.716 2.657) 8.227 8.039 ( -0.910 3.178 -9.523) 10.081 8.039 ( 0.910 3.178 9.523) 10.081 8.312 ( -8.477 -3.081 -5.261) 10.442 8.312 ( 8.477 -3.081 5.261) 10.442 8.585 ( -3.659 -7.511 -7.172) 11.012 8.585 ( 3.659 -7.511 7.172) 11.012 8.720 ( -1.982 1.904 -4.613) 5.370 8.720 ( 1.982 1.904 4.613) 5.370 8.841 ( -0.746 2.910 -9.309) 9.782 8.841 ( 0.746 2.910 9.309) 9.782 9.502 ( -0.788 2.461 -9.738) 10.075 9.502 ( 0.788 2.461 9.738) 10.075 10.334 ( 2.591 2.355 -11.776) 12.286 10.334 ( -2.591 2.355 11.776) 12.286 10.811 ( 2.888 -1.793 -4.483) 5.626 10.811 ( -2.888 -1.793 4.483) 5.626 11.172 ( -10.495 -0.446 -7.675) 13.010 11.172 ( 10.495 -0.446 7.675) 13.010 11.608 ( 4.415 -12.556 -9.407) 16.298 11.608 ( -4.415 -12.556 9.407) 16.298 11.929 ( -1.957 -4.683 -4.214) 6.597 11.929 ( 1.957 -4.683 4.214) 6.597 12.392 ( 2.324 3.488 -3.748) 5.623 12.392 ( -2.324 3.488 3.748) 5.623 12.617 ( -4.722 8.257 -1.161) 9.582 12.617 ( 4.722 8.257 1.161) 9.582 13.471 ( -8.130 1.998 -8.814) 12.157 13.471 ( 8.130 1.998 8.814) 12.157 13.947 ( -7.930 -6.616 -6.136) 12.012 13.947 ( 7.930 -6.616 6.136) 12.012 14.175 ( -0.396 -2.471 -1.792) 3.078 14.175 ( 0.396 -2.471 1.792) 3.078 14.719 ( -0.100 -6.598 -6.154) 9.023 14.719 ( 0.100 -6.598 6.154) 9.023 14.995 ( -11.130 5.248 -7.208) 14.261 14.995 ( 11.130 5.248 7.208) 14.261 15.876 ( -8.831 3.682 -5.520) 11.046 15.876 ( 8.831 3.682 5.520) 11.046 16.397 ( 3.176 1.330 -3.519) 4.923 16.397 ( -3.176 1.330 3.519) 4.923 16.480 ( -1.056 1.984 -7.480) 7.810 16.480 ( 1.056 1.984 7.480) 7.810 17.200 ( 1.226 -0.570 -1.644) 2.129 17.200 ( -1.226 -0.570 1.644) 2.129 24.878 ( -1.475 1.686 -0.681) 2.342 24.878 ( 1.475 1.686 0.681) 2.342 25.150 ( -0.444 -1.768 -5.973) 6.245 25.150 ( 0.444 -1.768 5.973) 6.245 25.637 ( -1.866 -0.485 -2.123) 2.867 25.637 ( 1.866 -0.485 2.123) 2.867 26.061 ( 3.923 -8.227 -3.360) 9.715 26.061 ( -3.923 -8.227 3.360) 9.715 27.231 ( -3.521 2.125 -5.891) 7.185 27.231 ( 3.521 2.125 5.891) 7.185 27.752 ( -0.819 -2.015 -5.806) 6.200 27.752 ( 0.819 -2.015 5.806) 6.200 29.670 ( 0.326 -2.322 -5.533) 6.009 29.670 ( -0.326 -2.322 5.533) 6.009 30.656 ( 1.033 9.851 -5.539) 11.348 30.656 ( -1.033 9.851 5.539) 11.348 ======================= Grid point 191 (97/104) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 6.156 3.868 -13.867) 15.658 2.564 ( -6.156 3.868 13.867) 15.658 2.803 ( -1.719 4.839 -17.839) 18.564 2.803 ( 1.719 4.839 17.839) 18.564 3.474 ( -10.388 -7.463 -0.915) 12.824 3.474 ( 10.388 -7.463 0.915) 12.824 3.559 ( -0.246 -6.853 -2.961) 7.470 3.559 ( 0.246 -6.853 2.961) 7.470 3.809 ( -8.535 1.160 -4.037) 9.512 3.809 ( 8.535 1.160 4.037) 9.512 4.076 ( 1.742 4.685 -4.334) 6.615 4.076 ( -1.742 4.685 4.334) 6.615 4.345 ( -8.216 2.419 -2.354) 8.883 4.345 ( 8.216 2.419 2.354) 8.883 4.746 ( 1.233 1.770 -2.673) 3.435 4.746 ( -1.233 1.770 2.673) 3.435 5.133 ( -5.867 2.811 -10.917) 12.709 5.133 ( 5.867 2.811 10.917) 12.709 5.297 ( -4.396 10.266 -7.628) 13.524 5.297 ( 4.396 10.266 7.628) 13.524 5.637 ( -3.257 3.610 -7.033) 8.550 5.637 ( 3.257 3.610 7.033) 8.550 5.811 ( 2.016 10.024 -12.335) 16.022 5.811 ( -2.016 10.024 12.335) 16.022 6.091 ( -9.046 10.537 -7.877) 15.965 6.091 ( 9.046 10.537 7.877) 15.965 6.414 ( -4.830 -4.311 -4.744) 8.026 6.414 ( 4.830 -4.311 4.744) 8.026 6.645 ( -5.056 -1.482 -8.615) 10.099 6.645 ( 5.056 -1.482 8.615) 10.099 7.031 ( -6.823 1.860 -3.115) 7.727 7.031 ( 6.823 1.860 3.115) 7.727 7.398 ( 6.013 -0.603 -9.499) 11.258 7.398 ( -6.013 -0.603 9.499) 11.258 7.786 ( -4.581 2.541 -1.663) 5.496 7.786 ( 4.581 2.541 1.663) 5.496 8.142 ( -4.457 -4.154 -7.769) 9.873 8.142 ( 4.457 -4.154 7.769) 9.873 8.183 ( -6.961 4.886 -10.934) 13.852 8.183 ( 6.961 4.886 10.934) 13.852 8.414 ( -8.342 2.811 -8.574) 12.288 8.414 ( 8.342 2.811 8.574) 12.288 8.733 ( -2.625 -9.184 -5.212) 10.881 8.733 ( 2.625 -9.184 5.212) 10.881 9.125 ( -3.261 1.715 -4.265) 5.636 9.125 ( 3.261 1.715 4.265) 5.636 9.284 ( 0.762 -4.581 -14.228) 14.967 9.284 ( -0.762 -4.581 14.228) 14.967 10.528 ( 2.673 -3.418 -8.563) 9.599 10.528 ( -2.673 -3.418 8.563) 9.599 10.699 ( 5.317 2.275 -4.980) 7.632 10.699 ( -5.317 2.275 4.980) 7.632 10.891 ( -1.590 3.674 -4.912) 6.336 10.891 ( 1.590 3.674 4.912) 6.336 11.467 ( 3.213 -11.364 -14.301) 18.547 11.467 ( -3.213 -11.364 14.301) 18.547 12.065 ( -9.830 -1.727 -4.595) 10.988 12.065 ( 9.830 -1.727 4.595) 10.988 12.398 ( -11.733 -3.577 -6.899) 14.074 12.398 ( 11.733 -3.577 6.899) 14.074 12.840 ( -3.926 4.188 -7.115) 9.143 12.840 ( 3.926 4.188 7.115) 9.143 13.136 ( -2.817 -1.350 -8.484) 9.041 13.136 ( 2.817 -1.350 8.484) 9.041 14.040 ( 1.636 1.298 -4.098) 4.599 14.040 ( -1.636 1.298 4.098) 4.599 14.300 ( -3.069 -3.107 -10.614) 11.477 14.300 ( 3.069 -3.107 10.614) 11.477 14.498 ( -5.559 -3.331 -5.090) 8.241 14.498 ( 5.559 -3.331 5.090) 8.241 15.170 ( -11.893 3.238 -10.027) 15.889 15.170 ( 11.893 3.238 10.027) 15.889 16.066 ( -11.385 2.627 -6.412) 13.328 16.066 ( 11.385 2.627 6.412) 13.328 16.417 ( -1.530 1.347 -0.988) 2.266 16.417 ( 1.530 1.347 0.988) 2.266 16.636 ( 2.707 0.868 -2.518) 3.798 16.636 ( -2.707 0.868 2.518) 3.798 16.898 ( -1.992 -2.382 -3.188) 4.450 16.898 ( 1.992 -2.382 3.188) 4.450 24.683 ( -1.282 1.476 -2.162) 2.915 24.683 ( 1.282 1.476 2.162) 2.915 25.273 ( 2.549 -0.414 -3.443) 4.304 25.273 ( -2.549 -0.414 3.443) 4.304 25.603 ( -0.001 0.307 -2.577) 2.595 25.603 ( 0.001 0.307 2.577) 2.595 25.873 ( 0.144 -5.722 -4.430) 7.238 25.873 ( -0.144 -5.722 4.430) 7.238 27.345 ( -4.276 -7.493 -1.785) 8.810 27.345 ( 4.276 -7.493 1.785) 8.810 27.636 ( -2.425 -1.859 -6.696) 7.361 27.636 ( 2.425 -1.859 6.696) 7.361 29.694 ( 2.649 2.452 -3.443) 4.989 29.694 ( -2.649 2.452 3.443) 4.989 30.873 ( 1.473 10.146 -2.524) 10.559 30.873 ( -1.473 10.146 2.524) 10.559 ======================= Grid point 193 (98/104) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -1.636 1.793 4.581) 5.184 2.690 ( 6.332 9.101 -14.379) 18.157 2.747 ( 7.570 0.572 3.314) 8.284 2.878 ( -3.671 3.834 5.470) 7.622 3.218 ( -8.841 1.225 6.152) 10.841 3.471 ( -6.216 -3.006 -2.297) 7.276 3.520 ( -5.482 -6.358 0.777) 8.431 3.674 ( -3.951 1.916 7.025) 8.285 3.710 ( 9.448 -8.059 -4.525) 13.217 3.949 ( -11.219 6.755 5.459) 14.188 4.097 ( 12.444 -1.541 8.214) 14.990 4.131 ( 1.422 3.471 -2.725) 4.636 4.227 ( -1.446 1.158 1.815) 2.593 4.500 ( 4.439 -2.540 4.619) 6.892 4.569 ( -5.982 6.108 -1.438) 8.670 4.765 ( -12.641 2.335 -9.961) 16.263 4.942 ( -0.446 7.796 -9.247) 12.103 5.183 ( -3.853 -2.564 3.993) 6.113 5.244 ( 2.616 6.230 -6.819) 9.600 5.403 ( 2.785 7.820 -2.840) 8.774 5.455 ( -6.571 7.525 -0.194) 9.991 5.679 ( -5.583 14.859 -2.690) 16.100 5.757 ( -2.100 16.230 -0.605) 16.377 5.814 ( 0.563 -4.954 1.732) 5.279 5.942 ( -4.192 4.501 -2.429) 6.613 6.229 ( 0.957 6.697 0.170) 6.767 6.399 ( 5.146 1.149 -1.884) 5.600 6.512 ( 3.281 -3.642 0.505) 4.928 6.636 ( 7.270 1.399 -2.091) 7.693 6.802 ( 4.347 -3.867 7.756) 9.696 6.937 ( -0.747 1.151 -2.702) 3.031 7.169 ( 3.861 1.406 3.843) 5.626 7.349 ( -1.695 -4.714 10.664) 11.782 7.464 ( 3.984 1.005 -4.131) 5.826 7.670 ( -7.769 -4.144 1.865) 9.001 7.904 ( 4.130 1.358 3.789) 5.767 8.004 ( -0.855 8.650 -10.160) 13.371 8.034 ( -1.208 -2.362 -6.699) 7.205 8.151 ( -5.474 3.094 -3.883) 7.390 8.305 ( 2.878 -5.189 8.799) 10.613 8.439 ( 6.386 -0.236 3.351) 7.216 8.601 ( 3.659 -1.410 1.525) 4.208 8.636 ( -0.387 -2.289 -3.964) 4.594 8.759 ( -2.730 -4.000 6.408) 8.032 9.013 ( -5.644 -7.344 -2.768) 9.667 9.063 ( -5.139 7.198 -6.407) 10.921 9.298 ( 5.226 -0.784 6.195) 8.143 9.445 ( 6.853 -4.422 1.261) 8.253 10.437 ( -2.092 -0.130 -2.904) 3.581 10.603 ( -7.195 5.191 4.329) 9.872 10.672 ( 7.613 -1.918 -4.385) 8.993 10.779 ( 3.687 -0.745 -3.122) 4.889 10.832 ( 1.668 4.329 0.987) 4.743 11.026 ( 7.833 -3.009 3.237) 8.994 11.396 ( -2.645 -10.643 2.084) 11.163 11.528 ( 0.536 -8.968 -2.699) 9.380 11.850 ( -10.022 -4.313 0.966) 10.954 12.099 ( -11.570 -5.875 -0.441) 12.983 12.278 ( 5.997 1.886 0.625) 6.317 12.589 ( 3.107 -0.240 3.496) 4.683 12.745 ( -1.301 8.393 -4.496) 9.610 12.925 ( 0.442 -0.226 3.645) 3.679 13.092 ( 2.524 -1.652 -3.107) 4.330 13.277 ( 6.606 -2.273 11.182) 13.185 13.940 ( -4.991 0.909 1.397) 5.262 14.099 ( 2.180 -1.943 -6.514) 7.139 14.158 ( -5.983 0.231 -7.888) 9.903 14.363 ( -5.491 -5.409 -4.754) 9.056 14.414 ( 2.102 -2.541 7.157) 7.880 14.617 ( 4.244 -5.723 2.630) 7.595 14.922 ( -7.037 6.242 -2.912) 9.847 15.425 ( 5.103 -4.614 6.187) 9.253 15.784 ( -8.441 11.002 -8.847) 16.449 16.209 ( -0.102 -0.437 -3.503) 3.532 16.388 ( 1.320 5.482 3.027) 6.400 16.424 ( -2.041 -0.165 1.218) 2.382 16.580 ( -3.257 -0.736 -0.540) 3.383 16.628 ( -1.079 2.005 -3.072) 3.824 16.956 ( 7.614 -2.037 0.297) 7.888 17.018 ( 6.749 -1.782 4.364) 8.232 24.695 ( 3.542 1.800 -1.047) 4.109 24.763 ( 5.487 0.806 3.229) 6.418 25.215 ( -4.892 -0.916 1.421) 5.176 25.271 ( -0.335 -0.136 -5.319) 5.331 25.586 ( -0.283 0.818 0.661) 1.089 25.634 ( 1.077 -0.926 1.300) 1.925 25.841 ( -0.747 -4.833 -1.074) 5.007 25.909 ( 0.838 -7.693 1.876) 7.962 27.239 ( -4.193 -3.019 0.957) 5.255 27.472 ( 6.440 -8.559 -1.829) 10.866 27.543 ( -3.626 0.414 -5.696) 6.765 27.698 ( 0.703 -3.698 5.276) 6.481 29.657 ( -3.033 2.894 3.692) 5.586 29.708 ( 0.621 1.067 -3.307) 3.530 30.853 ( -1.268 9.944 1.790) 10.183 30.891 ( 1.025 9.763 -2.010) 10.021 ======================= Grid point 194 (99/104) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 3.013 3.237 -8.189) 9.307 2.679 ( -8.168 2.523 6.167) 10.541 2.829 ( 4.652 3.241 8.995) 10.633 2.994 ( 12.532 6.669 -4.029) 14.757 3.201 ( 0.920 5.576 1.088) 5.755 3.357 ( -10.585 -5.591 -3.646) 12.514 3.386 ( -2.933 -1.072 6.127) 6.877 3.647 ( -6.272 8.263 5.243) 11.624 3.768 ( -4.449 0.855 8.066) 9.251 3.816 ( 2.658 6.859 -2.674) 7.827 4.084 ( -2.252 2.163 -7.490) 8.114 4.233 ( -0.930 7.834 0.035) 7.889 4.312 ( -0.451 -5.678 4.095) 7.015 4.397 ( -7.441 3.651 -2.961) 8.801 4.553 ( 4.740 3.304 0.294) 5.786 4.624 ( 2.738 -1.086 0.659) 3.018 4.901 ( -2.626 0.707 -0.702) 2.809 5.006 ( -11.205 -3.829 -5.558) 13.081 5.280 ( 1.266 -4.881 -3.062) 5.900 5.360 ( -7.313 2.421 0.760) 7.741 5.425 ( 8.416 15.555 -9.780) 20.210 5.656 ( 1.584 16.803 3.323) 17.201 5.698 ( 0.589 11.945 -5.022) 12.971 5.761 ( -9.038 8.931 3.320) 13.133 5.945 ( 4.291 -2.203 2.032) 5.234 6.196 ( -3.930 3.614 -1.734) 5.614 6.488 ( 4.638 -1.825 -1.275) 5.145 6.539 ( 0.219 -3.198 0.383) 3.228 6.769 ( 6.667 1.551 -4.809) 8.366 6.856 ( -1.847 -4.364 6.599) 8.124 6.976 ( 4.885 -2.052 1.156) 5.423 7.221 ( -0.080 -8.311 6.754) 10.709 7.283 ( -6.317 7.467 -1.404) 9.881 7.468 ( -7.551 -6.245 -4.720) 10.876 7.734 ( 16.891 -5.888 6.377) 18.990 7.926 ( 0.461 -0.032 1.014) 1.115 8.029 ( 4.331 5.680 -8.422) 11.043 8.047 ( 3.985 -2.078 -2.307) 5.051 8.099 ( -1.974 2.919 4.202) 5.484 8.376 ( 2.018 1.108 4.083) 4.688 8.402 ( -8.425 -9.676 -0.823) 12.857 8.615 ( -7.882 -4.684 -0.423) 9.179 8.629 ( 4.288 -4.569 -4.419) 7.667 8.801 ( 3.037 8.832 9.377) 13.235 8.865 ( -4.762 -3.591 0.111) 5.965 9.033 ( 1.137 8.532 -6.513) 10.794 9.426 ( 4.577 -0.791 6.569) 8.045 9.533 ( 2.498 -2.930 -1.536) 4.145 10.405 ( 1.500 2.924 -7.941) 8.594 10.486 ( -7.516 6.780 6.239) 11.891 10.752 ( 3.786 -0.893 -3.816) 5.449 10.783 ( -0.343 0.023 1.235) 1.282 10.978 ( 9.870 2.238 1.149) 10.186 11.176 ( 7.450 -11.672 -2.936) 14.155 11.360 ( -4.569 -8.328 -2.656) 9.864 11.431 ( -8.561 -7.427 3.898) 11.985 11.765 ( 0.167 -5.322 3.370) 6.301 11.941 ( -4.958 -3.187 1.255) 6.027 12.384 ( 4.178 2.520 1.910) 5.240 12.543 ( -4.366 2.699 -3.034) 5.962 12.756 ( 0.813 9.450 1.119) 9.550 12.867 ( -5.511 2.953 -1.092) 6.347 13.215 ( 9.287 -6.276 3.081) 11.624 13.455 ( 4.155 -5.379 9.837) 11.957 13.862 ( -4.181 -0.545 0.206) 4.222 14.016 ( -4.464 3.061 -7.126) 8.949 14.080 ( 0.577 -5.269 -5.441) 7.595 14.205 ( -6.143 -2.145 -6.525) 9.215 14.495 ( 1.989 -6.685 7.532) 10.265 14.649 ( -1.505 -7.335 -2.471) 7.885 14.913 ( 4.755 6.737 4.385) 9.339 15.308 ( -11.334 -2.837 -4.881) 12.663 15.817 ( 8.441 9.953 0.092) 13.051 16.109 ( -6.334 1.834 -3.070) 7.274 16.391 ( 0.289 1.157 -1.812) 2.169 16.467 ( 3.073 4.050 4.053) 6.502 16.506 ( -4.600 0.671 0.208) 4.653 16.590 ( -1.378 1.801 -3.319) 4.020 17.103 ( 6.735 -1.426 0.289) 6.890 17.144 ( 3.961 -1.535 3.077) 5.246 24.793 ( 6.933 1.804 -0.206) 7.167 24.897 ( 6.073 1.118 3.802) 7.252 25.116 ( -5.997 -1.937 1.257) 6.426 25.206 ( -3.242 -0.838 -6.201) 7.048 25.598 ( 0.928 0.459 1.207) 1.590 25.645 ( -0.430 -1.250 0.422) 1.388 25.842 ( 1.262 -5.809 -0.210) 5.948 25.913 ( -1.247 -9.023 0.883) 9.152 27.216 ( 0.669 1.839 3.357) 3.885 27.413 ( -4.699 1.950 -7.905) 9.401 27.591 ( 5.142 -6.496 0.305) 8.290 27.712 ( -1.581 -4.687 3.090) 5.832 29.634 ( -1.265 1.796 3.795) 4.385 29.685 ( -0.901 0.090 -3.424) 3.541 30.850 ( -0.115 9.380 1.968) 9.585 30.887 ( -0.177 9.190 -2.183) 9.448 ======================= Grid point 195 (100/104) ======================= q-point: (-0.50 0.29 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 5.630 4.300 -9.517) 11.864 2.572 ( -5.630 4.300 9.517) 11.864 3.016 ( -7.550 0.668 -8.936) 11.718 3.016 ( 7.550 0.668 8.936) 11.718 3.213 ( -0.556 1.147 -6.966) 7.082 3.213 ( 0.556 1.147 6.966) 7.082 3.482 ( -2.338 10.214 -12.388) 16.225 3.482 ( 2.338 10.214 12.388) 16.225 3.811 ( -2.946 1.315 -5.827) 6.660 3.811 ( 2.946 1.315 5.827) 6.660 4.079 ( -3.011 11.641 -0.684) 12.044 4.079 ( 3.011 11.641 0.684) 12.044 4.350 ( 2.987 -1.796 -5.465) 6.482 4.350 ( -2.987 -1.796 5.465) 6.482 4.645 ( -0.040 -1.558 -4.938) 5.178 4.645 ( 0.040 -1.558 4.938) 5.178 4.868 ( 0.684 -2.228 -7.744) 8.087 4.868 ( -0.684 -2.228 7.744) 8.087 5.271 ( 3.220 -3.815 -14.014) 14.877 5.271 ( -3.220 -3.815 14.014) 14.877 5.582 ( 7.919 12.687 -7.166) 16.583 5.582 ( -7.919 12.687 7.166) 16.583 5.698 ( 1.576 15.195 -7.184) 16.882 5.698 ( -1.576 15.195 7.184) 16.882 6.070 ( -7.023 -0.602 -3.188) 7.736 6.070 ( 7.023 -0.602 3.188) 7.736 6.539 ( 1.867 -2.831 -7.690) 8.404 6.539 ( -1.867 -2.831 7.690) 8.404 6.831 ( 4.313 -4.081 -7.564) 9.616 6.831 ( -4.313 -4.081 7.564) 9.616 7.105 ( -7.327 1.004 -2.109) 7.690 7.105 ( 7.327 1.004 2.109) 7.690 7.324 ( -2.525 -6.455 -6.575) 9.554 7.324 ( 2.525 -6.455 6.575) 9.554 7.966 ( -0.702 5.393 -6.105) 8.176 7.966 ( 0.702 5.393 6.105) 8.176 8.067 ( 1.508 1.336 -7.051) 7.333 8.067 ( -1.508 1.336 7.051) 7.333 8.170 ( -11.543 -11.941 -3.271) 16.927 8.170 ( 11.543 -11.941 3.271) 16.927 8.461 ( -0.275 -1.001 -4.950) 5.057 8.461 ( 0.275 -1.001 4.950) 5.057 8.726 ( -5.641 -1.584 -0.985) 5.942 8.726 ( 5.641 -1.584 0.985) 5.942 8.967 ( -3.542 8.096 -9.864) 13.243 8.967 ( 3.542 8.096 9.864) 13.243 9.520 ( -0.995 -1.181 -6.075) 6.268 9.520 ( 0.995 -1.181 6.075) 6.268 10.413 ( 4.366 5.138 -9.134) 11.353 10.413 ( -4.366 5.138 9.134) 11.353 10.781 ( 1.303 -0.546 -3.251) 3.545 10.781 ( -1.303 -0.546 3.251) 3.545 11.171 ( -8.470 0.338 -5.741) 10.238 11.171 ( 8.470 0.338 5.741) 10.238 11.306 ( 8.491 -14.596 -10.386) 19.825 11.306 ( -8.491 -14.596 10.386) 19.825 11.856 ( -4.175 -2.621 -3.167) 5.859 11.856 ( 4.175 -2.621 3.167) 5.859 12.459 ( -0.349 2.610 -6.268) 6.799 12.459 ( 0.349 2.610 6.268) 6.799 12.780 ( -1.598 7.261 -1.259) 7.540 12.780 ( 1.598 7.261 1.259) 7.540 13.416 ( -7.917 -8.421 -3.055) 11.956 13.416 ( 7.917 -8.421 3.055) 11.956 13.890 ( -4.522 2.315 -7.697) 9.222 13.890 ( 4.522 2.315 7.697) 9.222 14.102 ( -1.344 -3.684 -4.125) 5.691 14.102 ( 1.344 -3.684 4.125) 5.691 14.573 ( -1.544 -7.125 -8.069) 10.875 14.573 ( 1.544 -7.125 8.069) 10.875 15.084 ( -9.416 3.147 -6.308) 11.763 15.084 ( 9.416 3.147 6.308) 11.763 15.970 ( -6.843 4.551 -2.264) 8.524 15.970 ( 6.843 4.551 2.264) 8.524 16.425 ( -0.904 1.854 -1.171) 2.372 16.425 ( 0.904 1.854 1.171) 2.372 16.538 ( -0.846 2.689 -5.479) 6.161 16.538 ( 0.846 2.689 5.479) 6.161 17.180 ( 1.123 -1.363 -1.672) 2.432 17.180 ( -1.123 -1.363 1.672) 2.432 24.923 ( -3.467 2.545 -1.942) 4.719 24.923 ( 3.467 2.545 1.942) 4.719 25.100 ( -3.602 -2.872 -6.088) 7.634 25.100 ( 3.602 -2.872 6.088) 7.634 25.626 ( -0.618 -0.389 -1.498) 1.667 25.626 ( 0.618 -0.389 1.498) 1.667 25.878 ( -1.269 -7.996 -0.933) 8.150 25.878 ( 1.269 -7.996 0.933) 8.150 27.290 ( -3.332 3.437 -7.024) 8.500 27.290 ( 3.332 3.437 7.024) 8.500 27.673 ( -0.808 -5.366 -0.437) 5.444 27.673 ( 0.808 -5.366 0.437) 5.444 29.650 ( -0.408 0.384 -4.028) 4.067 29.650 ( 0.408 0.384 4.028) 4.067 30.867 ( 0.712 9.008 -4.771) 10.218 30.867 ( -0.712 9.008 4.771) 10.218 ======================= Grid point 199 (101/104) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 3.931 2.151 -5.478) 7.078 2.625 ( -3.931 2.151 5.478) 7.078 2.979 ( -4.940 8.586 -8.232) 12.880 2.979 ( 4.940 8.586 8.232) 12.880 3.297 ( 0.099 -5.763 -3.733) 6.867 3.297 ( -0.099 -5.763 3.733) 6.867 3.384 ( 2.346 -8.555 -3.943) 9.708 3.384 ( -2.346 -8.555 3.943) 9.708 3.862 ( 4.424 2.298 -1.822) 5.308 3.862 ( -4.424 2.298 1.822) 5.308 4.185 ( 0.427 4.110 -2.946) 5.075 4.185 ( -0.427 4.110 2.946) 5.075 4.357 ( -3.399 -0.915 -3.137) 4.715 4.357 ( 3.399 -0.915 3.137) 4.715 4.741 ( -2.465 -1.083 -0.030) 2.692 4.741 ( 2.465 -1.083 0.030) 2.692 5.240 ( 0.204 6.612 -6.449) 9.238 5.240 ( -0.204 6.612 6.449) 9.238 5.378 ( -2.706 -2.497 -4.270) 5.638 5.378 ( 2.706 -2.497 4.270) 5.638 5.788 ( -0.416 8.144 -6.955) 10.718 5.788 ( 0.416 8.144 6.955) 10.718 5.939 ( 0.972 1.491 -8.589) 8.772 5.939 ( -0.972 1.491 8.589) 8.772 6.267 ( -6.437 4.066 -6.072) 9.739 6.267 ( 6.437 4.066 6.072) 9.739 6.362 ( -3.345 -0.361 -6.390) 7.222 6.362 ( 3.345 -0.361 6.390) 7.222 6.692 ( -2.236 7.660 -6.412) 10.237 6.692 ( 2.236 7.660 6.412) 10.237 6.959 ( -2.665 -9.778 -5.407) 11.486 6.959 ( 2.665 -9.778 5.407) 11.486 7.421 ( 0.498 3.001 -1.222) 3.279 7.421 ( -0.498 3.001 1.222) 3.279 7.753 ( -6.112 -3.370 -3.590) 7.849 7.753 ( 6.112 -3.370 3.590) 7.849 8.089 ( -4.992 -0.824 -4.504) 6.773 8.089 ( 4.992 -0.824 4.504) 6.773 8.234 ( -2.840 0.323 -3.218) 4.304 8.234 ( 2.840 0.323 3.218) 4.304 8.469 ( -3.307 -0.998 -7.154) 7.944 8.469 ( 3.307 -0.998 7.154) 7.944 8.717 ( -8.927 9.985 -5.835) 14.610 8.717 ( 8.927 9.985 5.835) 14.610 8.992 ( -8.596 -11.910 -7.734) 16.600 8.992 ( 8.596 -11.910 7.734) 16.600 9.283 ( -1.062 1.783 -5.718) 6.083 9.283 ( 1.062 1.783 5.718) 6.083 10.452 ( 0.706 -2.556 -2.950) 3.966 10.452 ( -0.706 -2.556 2.950) 3.966 10.739 ( 1.401 1.389 -1.678) 2.590 10.739 ( -1.401 1.389 1.678) 2.590 11.030 ( 5.132 8.222 -10.659) 14.406 11.030 ( -5.132 8.222 10.659) 14.406 11.237 ( 4.554 -10.115 -14.511) 18.265 11.237 ( -4.554 -10.115 14.511) 18.265 12.047 ( -6.077 -0.155 -4.371) 7.487 12.047 ( 6.077 -0.155 4.371) 7.487 12.292 ( -7.325 -4.345 -4.493) 9.629 12.292 ( 7.325 -4.345 4.493) 9.629 12.931 ( -0.328 4.362 -4.170) 6.044 12.931 ( 0.328 4.362 4.170) 6.044 13.116 ( -1.530 -1.814 -5.491) 5.982 13.116 ( 1.530 -1.814 5.491) 5.982 14.084 ( 4.835 3.397 -5.563) 8.116 14.084 ( -4.835 3.397 5.563) 8.116 14.196 ( 2.153 -5.681 -8.228) 10.228 14.196 ( -2.153 -5.681 8.228) 10.228 14.469 ( -1.530 -0.173 -1.857) 2.413 14.469 ( 1.530 -0.173 1.857) 2.413 15.228 ( -5.223 1.672 -4.674) 7.205 15.228 ( 5.223 1.672 4.674) 7.205 16.104 ( -4.875 0.997 -2.684) 5.654 16.104 ( 4.875 0.997 2.684) 5.654 16.437 ( -0.272 0.420 -0.335) 0.602 16.437 ( 0.272 0.420 0.335) 0.602 16.666 ( 3.120 1.479 -2.024) 4.003 16.666 ( -3.120 1.479 2.024) 4.003 16.844 ( -1.118 -2.137 -1.761) 2.986 16.844 ( 1.118 -2.137 1.761) 2.986 24.709 ( -0.554 0.798 -0.815) 1.268 24.709 ( 0.554 0.798 0.815) 1.268 25.265 ( 1.339 -0.250 -1.263) 1.857 25.265 ( -1.339 -0.250 1.263) 1.857 25.616 ( 0.533 0.799 -1.857) 2.090 25.616 ( -0.533 0.799 1.857) 2.090 25.768 ( 0.873 -3.384 -2.722) 4.430 25.768 ( -0.873 -3.384 2.722) 4.430 27.240 ( -1.500 -2.443 -0.767) 2.968 27.240 ( 1.500 -2.443 0.767) 2.968 27.607 ( -0.827 -0.784 -2.619) 2.856 27.607 ( 0.827 -0.784 2.619) 2.856 29.733 ( 0.868 1.024 -1.347) 1.902 29.733 ( -0.868 1.024 1.347) 1.902 31.025 ( 0.483 3.832 -0.689) 3.923 31.025 ( -0.483 3.832 0.689) 3.923 ======================= Grid point 201 (102/104) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -3.611 3.888 10.753) 11.991 2.678 ( -2.239 -4.585 6.189) 8.022 2.945 ( 8.170 12.818 -6.402) 16.493 3.075 ( -2.375 10.761 3.888) 11.685 3.187 ( 1.506 -4.739 0.897) 5.053 3.335 ( -4.795 -10.278 1.339) 11.421 3.399 ( 2.776 -1.176 -7.399) 7.990 3.508 ( 11.233 -9.426 -3.310) 15.032 3.804 ( -1.655 9.527 10.207) 14.060 3.990 ( 6.114 -7.186 6.856) 11.663 4.132 ( -10.579 9.418 5.908) 15.347 4.208 ( -1.717 3.561 -0.228) 3.960 4.260 ( 0.969 -0.419 -2.025) 2.284 4.349 ( -3.542 -9.533 8.839) 13.474 4.696 ( -0.243 4.885 -2.093) 5.320 4.774 ( -1.703 -2.177 -3.274) 4.285 5.127 ( -9.507 10.699 -9.930) 17.420 5.198 ( -6.518 2.814 0.400) 7.111 5.267 ( -3.226 -1.152 -3.835) 5.142 5.388 ( -3.564 -9.814 -2.742) 10.795 5.704 ( -2.573 11.591 -2.273) 12.089 5.801 ( 0.149 2.706 -7.256) 7.746 5.946 ( -1.826 6.231 6.263) 9.021 5.967 ( 2.911 4.322 2.020) 5.588 6.117 ( -2.130 9.474 -9.015) 13.250 6.261 ( 2.754 -4.535 -10.033) 11.350 6.454 ( 3.407 4.330 4.079) 6.855 6.479 ( 1.472 3.260 -1.249) 3.789 6.685 ( 2.904 -2.347 1.063) 3.882 6.770 ( 1.619 1.766 -0.950) 2.578 6.895 ( 0.873 -0.863 2.858) 3.111 7.107 ( 10.867 -10.994 4.483) 16.095 7.257 ( -9.309 3.972 -0.118) 10.122 7.433 ( -3.783 -9.641 -6.920) 12.456 7.669 ( -2.431 10.329 4.349) 11.468 7.879 ( 3.504 -5.456 6.604) 9.255 7.960 ( -4.462 -0.606 0.460) 4.526 8.040 ( -5.570 -9.022 1.918) 10.775 8.237 ( 1.784 9.590 -10.247) 14.147 8.382 ( 7.317 -3.119 -2.901) 8.466 8.404 ( 0.768 9.931 -0.286) 9.965 8.526 ( -2.919 0.680 -1.828) 3.511 8.621 ( 0.189 -4.065 5.247) 6.640 8.735 ( -8.294 -13.896 -2.554) 16.383 8.921 ( 6.721 13.731 5.646) 16.296 9.183 ( 4.002 -7.565 -1.532) 8.695 9.253 ( 3.182 4.603 2.734) 6.228 9.355 ( 3.199 -3.864 4.626) 6.824 10.456 ( 3.026 2.654 -2.456) 4.715 10.552 ( 6.652 -5.850 -2.592) 9.230 10.720 ( -0.253 3.218 -0.180) 3.233 10.768 ( 2.932 -1.389 -3.725) 4.940 10.960 ( -5.936 8.703 9.037) 13.879 11.081 ( 3.774 5.905 -5.290) 8.781 11.186 ( -4.495 -8.757 8.944) 13.301 11.299 ( 3.224 -11.248 -4.661) 12.595 11.847 ( -9.467 3.199 -1.729) 10.142 11.958 ( -9.342 -6.778 -0.506) 11.553 12.346 ( 6.797 5.053 3.831) 9.296 12.489 ( 7.121 -7.780 4.309) 11.393 12.903 ( 0.744 5.774 -3.225) 6.656 12.941 ( -0.891 2.021 0.644) 2.301 13.086 ( -0.334 1.829 -0.419) 1.906 13.200 ( 3.102 -6.388 7.963) 10.669 13.993 ( -6.101 4.263 1.734) 7.642 14.071 ( -2.809 -1.552 -6.871) 7.584 14.150 ( -0.840 -0.322 -4.089) 4.187 14.209 ( -0.388 -6.054 -1.540) 6.259 14.439 ( -1.655 2.507 -0.047) 3.004 14.509 ( 0.866 -4.283 1.493) 4.617 15.086 ( -5.264 8.986 -1.133) 10.476 15.276 ( -2.733 -8.722 1.780) 9.312 16.016 ( -0.503 9.803 -5.739) 11.370 16.165 ( 0.602 -4.353 -4.207) 6.083 16.437 ( -0.371 1.686 0.540) 1.809 16.465 ( 1.885 0.392 3.051) 3.608 16.584 ( -4.367 1.959 1.661) 5.066 16.634 ( -3.076 -1.565 0.087) 3.452 16.934 ( 8.743 0.442 -0.014) 8.754 16.970 ( 7.973 -2.498 1.799) 8.547 24.736 ( 3.624 1.940 0.302) 4.122 24.766 ( 4.615 -0.690 1.876) 5.029 25.217 ( -3.763 1.117 -1.217) 4.110 25.251 ( -1.504 -1.654 -3.802) 4.410 25.610 ( -0.386 1.291 1.012) 1.685 25.625 ( 0.188 -0.120 0.598) 0.638 25.756 ( -0.707 -2.421 0.452) 2.562 25.776 ( 0.350 -4.261 -1.037) 4.399 27.230 ( 0.942 1.925 1.589) 2.668 27.313 ( 4.785 -5.997 0.662) 7.701 27.567 ( -2.072 1.960 -2.204) 3.605 27.623 ( -0.610 -3.295 2.482) 4.171 29.708 ( -2.280 1.717 1.398) 3.178 29.723 ( -0.984 0.202 -1.379) 1.706 31.010 ( -0.949 4.487 0.250) 4.593 31.027 ( -0.084 2.944 -0.830) 3.060 ======================= Grid point 202 (103/104) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 1.369 3.493 2.843) 4.707 2.667 ( -1.186 -3.006 7.511) 8.176 2.977 ( -6.245 9.932 4.489) 12.562 3.116 ( 3.936 3.250 -1.486) 5.316 3.216 ( -5.258 -4.830 2.698) 7.632 3.309 ( 3.058 -6.440 3.684) 8.025 3.423 ( 9.989 12.703 -7.507) 17.818 3.648 ( 6.596 -7.111 -0.887) 9.740 3.851 ( -6.110 6.630 7.295) 11.598 3.972 ( -6.277 0.202 0.576) 6.307 4.077 ( 3.029 3.986 6.621) 8.301 4.202 ( 1.712 -4.367 3.882) 6.089 4.328 ( 5.064 3.972 1.488) 6.605 4.448 ( 6.918 -6.795 8.528) 12.913 4.624 ( -7.750 5.713 -2.393) 9.921 4.675 ( -3.059 3.069 0.607) 4.376 4.880 ( -11.454 5.326 -5.128) 13.633 5.032 ( -6.526 3.126 -6.860) 9.971 5.165 ( -5.404 -6.371 -9.418) 12.589 5.218 ( -11.553 -12.542 -5.690) 17.976 5.699 ( 4.195 10.423 -3.475) 11.761 5.825 ( 4.316 -0.563 -4.930) 6.577 5.932 ( -2.412 10.577 5.207) 12.034 5.991 ( 0.097 11.115 -1.000) 11.161 6.122 ( 3.866 8.351 0.022) 9.203 6.276 ( 3.002 -3.613 -10.963) 11.927 6.454 ( -0.376 4.923 -1.700) 5.222 6.479 ( -3.441 3.887 4.624) 6.952 6.680 ( -1.920 -10.850 -3.238) 11.484 6.713 ( -3.222 -9.774 0.036) 10.291 7.029 ( 4.362 6.017 4.528) 8.702 7.105 ( -5.754 -2.013 1.838) 6.367 7.328 ( 1.912 -3.815 -3.776) 5.698 7.391 ( 8.020 -4.338 4.173) 10.028 7.663 ( 2.679 7.594 1.673) 8.224 7.928 ( -0.310 -9.810 3.189) 10.320 7.942 ( 1.993 0.208 0.961) 2.222 8.007 ( 0.431 -5.589 -0.221) 5.610 8.175 ( -4.255 5.904 -6.879) 10.014 8.295 ( -9.758 -3.102 -2.497) 10.539 8.463 ( 2.779 3.491 -5.083) 6.764 8.545 ( 4.640 -3.730 -3.712) 7.016 8.579 ( -0.689 4.712 8.660) 9.883 8.726 ( -1.235 -7.363 4.013) 8.476 9.045 ( 3.972 11.373 4.946) 13.022 9.174 ( -0.328 2.167 -4.170) 4.710 9.382 ( 5.057 -1.793 5.226) 7.490 9.438 ( 3.156 -5.212 1.701) 6.326 10.496 ( 3.004 5.566 -4.884) 7.991 10.580 ( -2.675 -0.038 0.769) 2.784 10.753 ( 4.032 1.984 -3.225) 5.531 10.812 ( 2.673 -0.402 -2.828) 3.912 10.934 ( 0.306 -0.321 3.386) 3.415 11.106 ( -5.100 -8.965 9.104) 13.758 11.147 ( 0.500 2.534 -0.135) 2.586 11.288 ( -0.443 -6.974 -9.024) 11.413 11.756 ( -0.542 3.233 4.392) 5.480 11.852 ( -2.940 -5.054 2.916) 6.534 12.451 ( 2.405 4.178 2.474) 5.418 12.541 ( -1.405 -3.194 -1.309) 3.727 12.921 ( -0.416 3.371 0.206) 3.403 12.949 ( 2.828 6.174 1.203) 6.897 13.090 ( 1.299 -1.239 1.458) 2.313 13.266 ( -1.397 -11.692 5.389) 12.950 13.919 ( -1.315 4.527 0.604) 4.752 13.998 ( -0.132 -3.027 -4.032) 5.044 14.091 ( -3.256 2.963 -5.524) 7.064 14.148 ( -4.645 -2.879 -3.259) 6.363 14.419 ( -0.133 0.066 1.441) 1.449 14.496 ( -2.054 -6.419 -1.467) 6.897 15.059 ( 1.378 7.121 2.691) 7.736 15.203 ( -4.231 -6.413 -0.015) 7.683 16.009 ( 1.943 7.353 -4.519) 8.847 16.109 ( -3.183 -2.238 -3.812) 5.448 16.440 ( 0.539 3.399 1.796) 3.882 16.500 ( -0.721 -1.557 1.282) 2.142 16.548 ( 0.293 3.271 0.981) 3.428 16.597 ( -1.260 -1.178 -0.205) 1.737 17.084 ( 6.416 -0.020 0.199) 6.419 17.105 ( 4.969 -1.817 1.496) 5.499 24.838 ( 6.565 2.480 1.412) 7.158 24.888 ( 6.787 -1.935 3.367) 7.820 25.117 ( -5.942 1.934 -2.428) 6.704 25.170 ( -4.580 -2.527 -5.086) 7.296 25.614 ( 0.251 0.958 0.943) 1.367 25.629 ( -0.234 -0.442 0.823) 0.963 25.750 ( -0.167 -2.330 0.526) 2.395 25.770 ( -0.262 -4.222 -1.337) 4.436 27.285 ( 3.416 4.584 2.865) 6.395 27.397 ( 3.050 -5.188 -1.306) 6.158 27.520 ( -1.106 2.235 -0.646) 2.576 27.607 ( -2.377 -5.057 1.630) 5.820 29.675 ( -1.772 1.575 1.485) 2.797 29.691 ( -1.421 0.034 -1.484) 2.055 30.998 ( -0.423 4.245 0.328) 4.278 31.015 ( -0.636 2.716 -0.923) 2.938 ======================= Grid point 203 (104/104) ======================= q-point: (-0.50 0.43 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 2.008 2.816 -4.081) 5.349 2.658 ( -2.008 2.816 4.081) 5.349 2.984 ( -4.087 -1.809 -7.335) 8.590 2.984 ( 4.087 -1.809 7.335) 8.590 3.274 ( -2.001 2.705 -5.555) 6.494 3.274 ( 2.001 2.705 5.555) 6.494 3.692 ( -5.447 8.603 -7.076) 12.399 3.692 ( 5.447 8.603 7.076) 12.399 3.801 ( -6.132 -2.147 -5.065) 8.239 3.801 ( 6.132 -2.147 5.065) 8.239 4.181 ( -1.851 -2.867 -2.367) 4.153 4.181 ( 1.851 -2.867 2.367) 4.153 4.458 ( -3.877 8.181 -2.394) 9.365 4.458 ( 3.877 8.181 2.394) 9.365 4.625 ( -7.625 6.305 -3.308) 10.433 4.625 ( 7.625 6.305 3.308) 10.433 4.847 ( -10.415 -3.610 -13.695) 17.581 4.847 ( 10.415 -3.610 13.695) 17.581 5.053 ( 1.070 -12.267 -4.623) 13.153 5.053 ( -1.070 -12.267 4.623) 13.153 5.791 ( 2.457 5.477 -2.026) 6.336 5.791 ( -2.457 5.477 2.026) 6.336 5.970 ( 1.605 10.502 -7.468) 12.986 5.970 ( -1.605 10.502 7.468) 12.986 6.214 ( -3.933 5.713 -5.826) 9.058 6.214 ( 3.933 5.713 5.826) 9.058 6.450 ( 1.008 0.928 -2.157) 2.555 6.450 ( -1.008 0.928 2.157) 2.555 6.664 ( 2.285 -11.608 -6.723) 13.608 6.664 ( -2.285 -11.608 6.723) 13.608 7.059 ( 0.288 -2.798 -1.979) 3.440 7.059 ( -0.288 -2.798 1.979) 3.440 7.397 ( -2.869 9.317 -4.434) 10.710 7.397 ( 2.869 9.317 4.434) 10.710 7.849 ( -7.332 -13.496 -4.174) 15.916 7.849 ( 7.332 -13.496 4.174) 15.916 8.036 ( 1.606 1.883 -4.603) 5.226 8.036 ( -1.606 1.883 4.603) 5.226 8.084 ( -3.797 -1.498 0.192) 4.086 8.084 ( 3.797 -1.498 -0.192) 4.086 8.531 ( 5.355 5.275 -5.183) 9.131 8.531 ( -5.355 5.275 5.183) 9.131 8.670 ( 5.959 -3.350 -2.311) 7.216 8.670 ( -5.959 -3.350 2.311) 7.216 9.129 ( -1.983 5.942 -5.016) 8.025 9.129 ( 1.983 5.942 5.016) 8.025 9.461 ( -0.610 -3.371 -2.739) 4.386 9.461 ( 0.610 -3.371 2.739) 4.386 10.528 ( 3.031 4.453 -4.189) 6.824 10.528 ( -3.031 4.453 4.189) 6.824 10.803 ( 2.622 2.973 -4.588) 6.063 10.803 ( -2.622 2.973 4.588) 6.063 11.007 ( 7.727 -11.043 -8.823) 16.109 11.007 ( -7.727 -11.043 8.823) 16.109 11.211 ( -3.474 1.083 -3.150) 4.813 11.211 ( 3.474 1.083 3.150) 4.813 11.816 ( -2.525 -1.119 -1.814) 3.304 11.816 ( 2.525 -1.119 1.814) 3.304 12.490 ( -1.246 0.482 -3.043) 3.324 12.490 ( 1.246 0.482 3.043) 3.324 12.944 ( -1.939 8.758 -0.757) 9.002 12.944 ( 1.939 8.758 0.757) 9.002 13.188 ( -6.801 -11.328 -0.782) 13.236 13.188 ( 6.801 -11.328 0.782) 13.236 13.972 ( -2.697 3.427 -6.300) 7.662 13.972 ( 2.697 3.427 6.300) 7.662 14.045 ( -0.196 -1.539 -5.451) 5.668 14.045 ( 0.196 -1.539 5.451) 5.668 14.446 ( -0.648 -4.015 -3.966) 5.681 14.446 ( 0.648 -4.015 3.966) 5.681 15.127 ( -3.563 0.976 -2.296) 4.350 15.127 ( 3.563 0.976 2.296) 4.350 16.039 ( -2.261 1.709 -0.210) 2.842 16.039 ( 2.261 1.709 0.210) 2.842 16.472 ( -1.461 1.889 -1.105) 2.631 16.472 ( 1.461 1.889 1.105) 2.631 16.573 ( -0.152 0.663 -1.783) 1.908 16.573 ( 0.152 0.663 1.783) 1.908 17.152 ( 0.503 -0.945 -0.849) 1.366 17.152 ( -0.503 -0.945 0.849) 1.366 24.979 ( -5.601 2.688 -3.706) 7.234 24.979 ( 5.601 2.688 3.706) 7.234 25.038 ( -5.975 -2.904 -5.330) 8.517 25.038 ( 5.975 -2.904 5.330) 8.517 25.624 ( 0.289 0.162 -1.176) 1.222 25.624 ( -0.289 0.162 1.176) 1.222 25.756 ( -0.021 -3.275 -1.610) 3.650 25.756 ( 0.021 -3.275 1.610) 3.650 27.369 ( -2.038 3.585 -4.873) 6.384 27.369 ( 2.038 3.585 4.873) 6.384 27.554 ( -0.848 -4.824 -2.293) 5.408 27.554 ( 0.848 -4.824 2.293) 5.408 29.667 ( -0.062 0.714 -1.557) 1.714 29.667 ( 0.062 0.714 1.557) 1.714 31.000 ( 0.212 3.362 -1.710) 3.778 31.000 ( -0.212 3.362 1.710) 3.778 =================== 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 3/32256 10.0 1378.178 1447.811 1692.978 0.000 -430.538 0.000 3/32256 20.0 147.684 184.192 190.906 0.000 -53.417 0.000 3/32256 30.0 49.240 63.483 67.719 0.000 -17.718 0.000 3/32256 40.0 25.803 33.337 35.914 0.000 -8.687 0.000 3/32256 50.0 16.499 21.342 23.007 0.000 -5.190 0.000 3/32256 60.0 11.809 15.322 16.480 0.000 -3.508 0.000 3/32256 70.0 9.090 11.835 12.693 0.000 -2.576 0.000 3/32256 80.0 7.356 9.606 10.276 0.000 -2.004 0.000 3/32256 90.0 6.171 8.076 8.621 0.000 -1.626 0.000 3/32256 100.0 5.317 6.968 7.427 0.000 -1.361 0.000 3/32256 110.0 4.675 6.133 6.528 0.000 -1.167 0.000 3/32256 120.0 4.177 5.482 5.830 0.000 -1.018 0.000 3/32256 130.0 3.780 4.961 5.272 0.000 -0.902 0.000 3/32256 140.0 3.456 4.536 4.816 0.000 -0.809 0.000 3/32256 150.0 3.187 4.181 4.438 0.000 -0.732 0.000 3/32256 160.0 2.960 3.882 4.118 0.000 -0.668 0.000 3/32256 170.0 2.766 3.625 3.844 0.000 -0.614 0.000 3/32256 180.0 2.598 3.403 3.607 0.000 -0.567 0.000 3/32256 190.0 2.451 3.209 3.400 0.000 -0.527 0.000 3/32256 200.0 2.322 3.038 3.217 0.000 -0.492 0.000 3/32256 210.0 2.206 2.886 3.054 0.000 -0.461 0.000 3/32256 220.0 2.103 2.749 2.908 0.000 -0.434 0.000 3/32256 230.0 2.010 2.627 2.777 0.000 -0.409 0.000 3/32256 240.0 1.925 2.516 2.658 0.000 -0.387 0.000 3/32256 250.0 1.848 2.415 2.550 0.000 -0.367 0.000 3/32256 260.0 1.778 2.322 2.451 0.000 -0.349 0.000 3/32256 270.0 1.713 2.238 2.360 0.000 -0.333 0.000 3/32256 280.0 1.653 2.159 2.276 0.000 -0.318 0.000 3/32256 290.0 1.597 2.087 2.198 0.000 -0.304 0.000 3/32256 300.0 1.546 2.020 2.126 0.000 -0.292 0.000 3/32256 310.0 1.497 1.958 2.059 0.000 -0.280 0.000 3/32256 320.0 1.452 1.899 1.996 0.000 -0.269 0.000 3/32256 330.0 1.410 1.845 1.937 0.000 -0.259 0.000 3/32256 340.0 1.370 1.793 1.882 0.000 -0.250 0.000 3/32256 350.0 1.333 1.745 1.830 0.000 -0.241 0.000 3/32256 360.0 1.298 1.700 1.781 0.000 -0.233 0.000 3/32256 370.0 1.264 1.657 1.735 0.000 -0.226 0.000 3/32256 380.0 1.233 1.616 1.691 0.000 -0.219 0.000 3/32256 390.0 1.203 1.578 1.650 0.000 -0.212 0.000 3/32256 400.0 1.174 1.541 1.610 0.000 -0.206 0.000 3/32256 410.0 1.147 1.506 1.573 0.000 -0.200 0.000 3/32256 420.0 1.121 1.473 1.537 0.000 -0.194 0.000 3/32256 430.0 1.097 1.441 1.503 0.000 -0.189 0.000 3/32256 440.0 1.073 1.411 1.470 0.000 -0.184 0.000 3/32256 450.0 1.051 1.382 1.439 0.000 -0.179 0.000 3/32256 460.0 1.029 1.354 1.409 0.000 -0.175 0.000 3/32256 470.0 1.008 1.327 1.381 0.000 -0.170 0.000 3/32256 480.0 0.988 1.302 1.353 0.000 -0.166 0.000 3/32256 490.0 0.969 1.277 1.327 0.000 -0.162 0.000 3/32256 500.0 0.951 1.254 1.302 0.000 -0.159 0.000 3/32256 510.0 0.933 1.231 1.277 0.000 -0.155 0.000 3/32256 520.0 0.916 1.209 1.254 0.000 -0.152 0.000 3/32256 530.0 0.900 1.188 1.231 0.000 -0.149 0.000 3/32256 540.0 0.884 1.168 1.210 0.000 -0.145 0.000 3/32256 550.0 0.869 1.148 1.189 0.000 -0.143 0.000 3/32256 560.0 0.854 1.129 1.168 0.000 -0.140 0.000 3/32256 570.0 0.840 1.110 1.149 0.000 -0.137 0.000 3/32256 580.0 0.826 1.093 1.130 0.000 -0.134 0.000 3/32256 590.0 0.812 1.075 1.111 0.000 -0.132 0.000 3/32256 600.0 0.799 1.059 1.094 0.000 -0.129 0.000 3/32256 610.0 0.787 1.043 1.077 0.000 -0.127 0.000 3/32256 620.0 0.775 1.027 1.060 0.000 -0.125 0.000 3/32256 630.0 0.763 1.012 1.044 0.000 -0.123 0.000 3/32256 640.0 0.752 0.997 1.028 0.000 -0.120 0.000 3/32256 650.0 0.741 0.983 1.013 0.000 -0.118 0.000 3/32256 660.0 0.730 0.969 0.998 0.000 -0.116 0.000 3/32256 670.0 0.719 0.955 0.984 0.000 -0.115 0.000 3/32256 680.0 0.709 0.942 0.970 0.000 -0.113 0.000 3/32256 690.0 0.699 0.929 0.957 0.000 -0.111 0.000 3/32256 700.0 0.690 0.917 0.943 0.000 -0.109 0.000 3/32256 710.0 0.680 0.905 0.931 0.000 -0.108 0.000 3/32256 720.0 0.671 0.893 0.918 0.000 -0.106 0.000 3/32256 730.0 0.663 0.881 0.906 0.000 -0.104 0.000 3/32256 740.0 0.654 0.870 0.894 0.000 -0.103 0.000 3/32256 750.0 0.646 0.859 0.883 0.000 -0.101 0.000 3/32256 760.0 0.637 0.848 0.872 0.000 -0.100 0.000 3/32256 770.0 0.629 0.838 0.861 0.000 -0.099 0.000 3/32256 780.0 0.622 0.828 0.850 0.000 -0.097 0.000 3/32256 790.0 0.614 0.818 0.840 0.000 -0.096 0.000 3/32256 800.0 0.607 0.808 0.829 0.000 -0.095 0.000 3/32256 810.0 0.599 0.799 0.820 0.000 -0.093 0.000 3/32256 820.0 0.592 0.790 0.810 0.000 -0.092 0.000 3/32256 830.0 0.585 0.780 0.800 0.000 -0.091 0.000 3/32256 840.0 0.579 0.772 0.791 0.000 -0.090 0.000 3/32256 850.0 0.572 0.763 0.782 0.000 -0.089 0.000 3/32256 860.0 0.566 0.755 0.773 0.000 -0.088 0.000 3/32256 870.0 0.559 0.746 0.765 0.000 -0.086 0.000 3/32256 880.0 0.553 0.738 0.756 0.000 -0.085 0.000 3/32256 890.0 0.547 0.730 0.748 0.000 -0.084 0.000 3/32256 900.0 0.541 0.723 0.740 0.000 -0.083 0.000 3/32256 910.0 0.535 0.715 0.732 0.000 -0.082 0.000 3/32256 920.0 0.530 0.708 0.724 0.000 -0.082 0.000 3/32256 930.0 0.524 0.700 0.717 0.000 -0.081 0.000 3/32256 940.0 0.519 0.693 0.709 0.000 -0.080 0.000 3/32256 950.0 0.513 0.686 0.702 0.000 -0.079 0.000 3/32256 960.0 0.508 0.679 0.695 0.000 -0.078 0.000 3/32256 970.0 0.503 0.673 0.688 0.000 -0.077 0.000 3/32256 980.0 0.498 0.666 0.681 0.000 -0.076 0.000 3/32256 990.0 0.493 0.660 0.674 0.000 -0.075 0.000 3/32256 1000.0 0.488 0.653 0.668 0.000 -0.075 0.000 3/32256 Thermal conductivity related properties were written into "kappa-m678.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:20:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|