----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:27:04]------------------------- 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: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.991807660001036 -5.599805465000000 0.000000000000000 b 2.991807660001036 5.599805465000000 0.000000000000000 c -0.533584674361631 0.000000000000000 12.501143885916347 Atomic positions (fractional): *1 N 0.49753368498643 0.50246631501357 0.25000000000000 14.007 2 N 0.50246631501357 0.49753368498643 0.75000000000000 14.007 *3 N 0.08734172502505 0.91265827497495 0.25000000000000 14.007 4 N 0.91265827497495 0.08734172502505 0.75000000000000 14.007 *5 N 0.67168691290448 0.99799060128570 0.12424754743076 14.007 6 N 0.00200939871430 0.32831308709552 0.37575245256924 14.007 7 N 0.32831308709552 0.00200939871430 0.87575245256924 14.007 8 N 0.99799060128570 0.67168691290448 0.62424754743076 14.007 *9 N 0.38539208301295 0.19831753165858 0.45971819767676 14.007 10 N 0.19831753165858 0.38539208301295 0.95971819767676 14.007 11 N 0.61460791698705 0.80168246834142 0.54028180232324 14.007 12 N 0.80168246834142 0.61460791698705 0.04028180232324 14.007 *13 Sr 0.45944430841743 0.05564263003901 0.64077729531560 87.620 *14 Sr 0.61351812194465 0.84491450714327 0.92324780081380 87.620 15 Sr 0.84491450714327 0.61351812194465 0.42324780081380 87.620 16 Sr 0.38648187805535 0.15508549285673 0.07675219918620 87.620 17 Sr 0.54055569158257 0.94435736996099 0.35922270468440 87.620 18 Sr 0.05564263003901 0.45944430841743 0.14077729531560 87.620 19 Sr 0.94435736996099 0.54055569158257 0.85922270468440 87.620 20 Sr 0.15508549285673 0.38648187805535 0.57675219918620 87.620 *21 Ta 0.23445470945054 0.23111360575653 0.83608710016582 180.948 22 Ta 0.76888639424347 0.76554529054946 0.66391289983418 180.948 23 Ta 0.76554529054946 0.76888639424348 0.16391289983418 180.948 24 Ta 0.23111360575652 0.23445470945054 0.33608710016582 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.983615320002071 0.000000000000000 0.000000000000000 b 0.000000000000000 11.199610930000000 0.000000000000000 c -0.533584674361631 0.000000000000000 12.501143885916347 Atomic positions (fractional): *1 N 0.50000000000000 0.00246631501357 0.25000000000000 14.007 > 1 2 N 0.00000000000000 0.49753368498643 0.75000000000000 14.007 > 2 *3 N 0.50000000000000 0.41265827497495 0.25000000000000 14.007 > 3 4 N 0.00000000000000 0.08734172502505 0.75000000000000 14.007 > 4 *5 N 0.83483875709509 0.16315184419061 0.12424754743076 14.007 > 5 6 N 0.16516124290491 0.16315184419061 0.37575245256924 14.007 > 6 7 N 0.66516124290491 0.33684815580939 0.87575245256924 14.007 > 7 8 N 0.33483875709509 0.33684815580939 0.62424754743076 14.007 > 8 *9 N 0.79185480733576 0.40646272432282 0.45971819767676 14.007 > 9 10 N 0.29185480733576 0.09353727567718 0.95971819767676 14.007 > 10 11 N 0.70814519266424 0.09353727567718 0.54028180232324 14.007 > 11 12 N 0.20814519266424 0.40646272432282 0.04028180232324 14.007 > 12 13 N 0.00000000000000 0.50246631501357 0.25000000000000 14.007 > 1 14 N 0.50000000000000 0.99753368498643 0.75000000000000 14.007 > 2 15 N 0.00000000000000 0.91265827497495 0.25000000000000 14.007 > 3 16 N 0.50000000000000 0.58734172502505 0.75000000000000 14.007 > 4 17 N 0.33483875709509 0.66315184419061 0.12424754743076 14.007 > 5 18 N 0.66516124290491 0.66315184419061 0.37575245256924 14.007 > 6 19 N 0.16516124290491 0.83684815580939 0.87575245256924 14.007 > 7 20 N 0.83483875709509 0.83684815580939 0.62424754743076 14.007 > 8 21 N 0.29185480733576 0.90646272432282 0.45971819767676 14.007 > 9 22 N 0.79185480733576 0.59353727567718 0.95971819767676 14.007 > 10 23 N 0.20814519266424 0.59353727567718 0.54028180232324 14.007 > 11 24 N 0.70814519266424 0.90646272432282 0.04028180232324 14.007 > 12 *25 Sr 0.75754346922822 0.29809916081079 0.64077729531560 87.620 > 13 *26 Sr 0.72921631454396 0.11569819259931 0.92324780081380 87.620 > 14 27 Sr 0.22921631454396 0.38430180740069 0.42324780081380 87.620 > 15 28 Sr 0.77078368545604 0.38430180740069 0.07675219918620 87.620 > 16 29 Sr 0.74245653077178 0.20190083918921 0.35922270468440 87.620 > 17 30 Sr 0.25754346922822 0.20190083918921 0.14077729531560 87.620 > 18 31 Sr 0.24245653077178 0.29809916081079 0.85922270468440 87.620 > 19 32 Sr 0.27078368545604 0.11569819259931 0.57675219918620 87.620 > 20 33 Sr 0.25754346922822 0.79809916081079 0.64077729531560 87.620 > 13 34 Sr 0.22921631454396 0.61569819259931 0.92324780081380 87.620 > 14 35 Sr 0.72921631454396 0.88430180740069 0.42324780081380 87.620 > 15 36 Sr 0.27078368545604 0.88430180740069 0.07675219918620 87.620 > 16 37 Sr 0.24245653077178 0.70190083918921 0.35922270468440 87.620 > 17 38 Sr 0.75754346922822 0.70190083918921 0.14077729531560 87.620 > 18 39 Sr 0.74245653077178 0.79809916081079 0.85922270468440 87.620 > 19 40 Sr 0.77078368545604 0.61569819259931 0.57675219918620 87.620 > 20 *41 Ta 0.73278415760353 0.49832944815299 0.83608710016582 180.948 > 21 42 Ta 0.26721584239647 0.49832944815299 0.66391289983418 180.948 > 22 43 Ta 0.76721584239647 0.00167055184701 0.16391289983418 180.948 > 23 44 Ta 0.23278415760353 0.00167055184701 0.33608710016582 180.948 > 24 45 Ta 0.23278415760353 0.99832944815299 0.83608710016582 180.948 > 21 46 Ta 0.76721584239647 0.99832944815299 0.66391289983418 180.948 > 22 47 Ta 0.26721584239647 0.50167055184701 0.16391289983418 180.948 > 23 48 Ta 0.73278415760353 0.50167055184701 0.33608710016582 180.948 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.967230640004143 0.000000000000000 0.000000000000000 b 0.000000000000000 11.199610930000000 0.000000000000000 c -0.533584674361631 0.000000000000000 12.501143885916347 Atomic positions (fractional): *1 N 0.25000000000000 0.00246631501357 0.25000000000000 14.007 > 1 2 N 0.75000000000000 0.00246631501357 0.25000000000000 14.007 > 1 3 N 0.00000000000000 0.49753368498643 0.75000000000000 14.007 > 2 4 N 0.50000000000000 0.49753368498643 0.75000000000000 14.007 > 2 *5 N 0.25000000000000 0.41265827497495 0.25000000000000 14.007 > 3 6 N 0.75000000000000 0.41265827497495 0.25000000000000 14.007 > 3 7 N 0.00000000000000 0.08734172502505 0.75000000000000 14.007 > 4 8 N 0.50000000000000 0.08734172502505 0.75000000000000 14.007 > 4 *9 N 0.41741937854754 0.16315184419061 0.12424754743076 14.007 > 5 10 N 0.91741937854754 0.16315184419061 0.12424754743076 14.007 > 5 11 N 0.08258062145246 0.16315184419061 0.37575245256924 14.007 > 6 12 N 0.58258062145246 0.16315184419061 0.37575245256924 14.007 > 6 13 N 0.33258062145246 0.33684815580939 0.87575245256924 14.007 > 7 14 N 0.83258062145246 0.33684815580939 0.87575245256924 14.007 > 7 15 N 0.16741937854754 0.33684815580939 0.62424754743076 14.007 > 8 16 N 0.66741937854754 0.33684815580939 0.62424754743076 14.007 > 8 *17 N 0.39592740366788 0.40646272432282 0.45971819767676 14.007 > 9 18 N 0.89592740366788 0.40646272432282 0.45971819767676 14.007 > 9 19 N 0.14592740366788 0.09353727567718 0.95971819767676 14.007 > 10 20 N 0.64592740366788 0.09353727567718 0.95971819767676 14.007 > 10 21 N 0.35407259633212 0.09353727567718 0.54028180232324 14.007 > 11 22 N 0.85407259633212 0.09353727567718 0.54028180232324 14.007 > 11 23 N 0.10407259633212 0.40646272432282 0.04028180232324 14.007 > 12 24 N 0.60407259633212 0.40646272432282 0.04028180232324 14.007 > 12 25 N 0.00000000000000 0.50246631501357 0.25000000000000 14.007 > 1 26 N 0.50000000000000 0.50246631501357 0.25000000000000 14.007 > 1 27 N 0.25000000000000 0.99753368498643 0.75000000000000 14.007 > 2 28 N 0.75000000000000 0.99753368498643 0.75000000000000 14.007 > 2 29 N 0.00000000000000 0.91265827497495 0.25000000000000 14.007 > 3 30 N 0.50000000000000 0.91265827497495 0.25000000000000 14.007 > 3 31 N 0.25000000000000 0.58734172502505 0.75000000000000 14.007 > 4 32 N 0.75000000000000 0.58734172502505 0.75000000000000 14.007 > 4 33 N 0.16741937854754 0.66315184419061 0.12424754743076 14.007 > 5 34 N 0.66741937854754 0.66315184419061 0.12424754743076 14.007 > 5 35 N 0.33258062145246 0.66315184419061 0.37575245256924 14.007 > 6 36 N 0.83258062145246 0.66315184419061 0.37575245256924 14.007 > 6 37 N 0.08258062145246 0.83684815580939 0.87575245256924 14.007 > 7 38 N 0.58258062145246 0.83684815580939 0.87575245256924 14.007 > 7 39 N 0.41741937854754 0.83684815580939 0.62424754743076 14.007 > 8 40 N 0.91741937854754 0.83684815580939 0.62424754743076 14.007 > 8 41 N 0.14592740366788 0.90646272432282 0.45971819767676 14.007 > 9 42 N 0.64592740366788 0.90646272432282 0.45971819767676 14.007 > 9 43 N 0.39592740366788 0.59353727567718 0.95971819767676 14.007 > 10 44 N 0.89592740366788 0.59353727567718 0.95971819767676 14.007 > 10 45 N 0.10407259633212 0.59353727567718 0.54028180232324 14.007 > 11 46 N 0.60407259633212 0.59353727567718 0.54028180232324 14.007 > 11 47 N 0.35407259633212 0.90646272432282 0.04028180232324 14.007 > 12 48 N 0.85407259633212 0.90646272432282 0.04028180232324 14.007 > 12 *49 Sr 0.37877173461411 0.29809916081079 0.64077729531560 87.620 > 13 50 Sr 0.87877173461411 0.29809916081079 0.64077729531560 87.620 > 13 *51 Sr 0.36460815727198 0.11569819259931 0.92324780081380 87.620 > 14 52 Sr 0.86460815727198 0.11569819259931 0.92324780081380 87.620 > 14 53 Sr 0.11460815727198 0.38430180740069 0.42324780081380 87.620 > 15 54 Sr 0.61460815727198 0.38430180740069 0.42324780081380 87.620 > 15 55 Sr 0.38539184272802 0.38430180740069 0.07675219918620 87.620 > 16 56 Sr 0.88539184272802 0.38430180740069 0.07675219918620 87.620 > 16 57 Sr 0.37122826538589 0.20190083918921 0.35922270468440 87.620 > 17 58 Sr 0.87122826538589 0.20190083918921 0.35922270468440 87.620 > 17 59 Sr 0.12877173461411 0.20190083918921 0.14077729531560 87.620 > 18 60 Sr 0.62877173461411 0.20190083918921 0.14077729531560 87.620 > 18 61 Sr 0.12122826538589 0.29809916081079 0.85922270468440 87.620 > 19 62 Sr 0.62122826538589 0.29809916081079 0.85922270468440 87.620 > 19 63 Sr 0.13539184272802 0.11569819259931 0.57675219918620 87.620 > 20 64 Sr 0.63539184272802 0.11569819259931 0.57675219918620 87.620 > 20 65 Sr 0.12877173461411 0.79809916081079 0.64077729531560 87.620 > 13 66 Sr 0.62877173461411 0.79809916081079 0.64077729531560 87.620 > 13 67 Sr 0.11460815727198 0.61569819259931 0.92324780081380 87.620 > 14 68 Sr 0.61460815727198 0.61569819259931 0.92324780081380 87.620 > 14 69 Sr 0.36460815727198 0.88430180740069 0.42324780081380 87.620 > 15 70 Sr 0.86460815727198 0.88430180740069 0.42324780081380 87.620 > 15 71 Sr 0.13539184272802 0.88430180740069 0.07675219918620 87.620 > 16 72 Sr 0.63539184272802 0.88430180740069 0.07675219918620 87.620 > 16 73 Sr 0.12122826538589 0.70190083918921 0.35922270468440 87.620 > 17 74 Sr 0.62122826538589 0.70190083918921 0.35922270468440 87.620 > 17 75 Sr 0.37877173461411 0.70190083918921 0.14077729531560 87.620 > 18 76 Sr 0.87877173461411 0.70190083918921 0.14077729531560 87.620 > 18 77 Sr 0.37122826538589 0.79809916081079 0.85922270468440 87.620 > 19 78 Sr 0.87122826538589 0.79809916081079 0.85922270468440 87.620 > 19 79 Sr 0.38539184272802 0.61569819259931 0.57675219918620 87.620 > 20 80 Sr 0.88539184272802 0.61569819259931 0.57675219918620 87.620 > 20 *81 Ta 0.36639207880177 0.49832944815299 0.83608710016582 180.948 > 21 82 Ta 0.86639207880177 0.49832944815299 0.83608710016582 180.948 > 21 83 Ta 0.13360792119823 0.49832944815299 0.66391289983418 180.948 > 22 84 Ta 0.63360792119823 0.49832944815299 0.66391289983418 180.948 > 22 85 Ta 0.38360792119823 0.00167055184701 0.16391289983418 180.948 > 23 86 Ta 0.88360792119823 0.00167055184701 0.16391289983418 180.948 > 23 87 Ta 0.11639207880177 0.00167055184701 0.33608710016582 180.948 > 24 88 Ta 0.61639207880177 0.00167055184701 0.33608710016582 180.948 > 24 89 Ta 0.11639207880177 0.99832944815299 0.83608710016582 180.948 > 21 90 Ta 0.61639207880177 0.99832944815299 0.83608710016582 180.948 > 21 91 Ta 0.38360792119823 0.99832944815299 0.66391289983418 180.948 > 22 92 Ta 0.88360792119823 0.99832944815299 0.66391289983418 180.948 > 22 93 Ta 0.13360792119823 0.50167055184701 0.16391289983418 180.948 > 23 94 Ta 0.63360792119823 0.50167055184701 0.16391289983418 180.948 > 23 95 Ta 0.36639207880177 0.50167055184701 0.33608710016582 180.948 > 24 96 Ta 0.86639207880177 0.50167055184701 0.33608710016582 180.948 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0962600 0.0000000 -0.0371419 0.0000000 5.6931326 0.0000000 -0.0371439 0.0000000 5.9791982 -------------------------- Born effective charges -------------------------- 1 N -4.6828713 0.0000000 1.9490938 0.0000000 -0.9593208 0.0000000 2.0475778 0.0000000 -2.7124990 2 N -4.6828713 0.0000000 1.9490938 0.0000000 -0.9593208 0.0000000 2.0475778 0.0000000 -2.7124990 3 N -3.4056002 0.0000000 -1.7671041 0.0000000 -1.8296487 0.0000000 -1.2422068 0.0000000 -2.5016930 4 N -3.4056002 0.0000000 -1.7671041 0.0000000 -1.8296487 0.0000000 -1.2422068 0.0000000 -2.5016930 5 N -2.1572996 -0.5748318 0.0438075 -0.3909611 -3.7532440 0.6463106 -0.0369939 0.7248361 -2.1141262 6 N -2.1572996 0.5748318 0.0438075 0.3909611 -3.7532440 -0.6463106 -0.0369939 -0.7248361 -2.1141262 7 N -2.1572996 -0.5748318 0.0438075 -0.3909611 -3.7532440 0.6463106 -0.0369939 0.7248361 -2.1141262 8 N -2.1572996 0.5748318 0.0438075 0.3909611 -3.7532440 -0.6463106 -0.0369939 -0.7248361 -2.1141262 9 N -2.0774780 0.0861284 -0.0873339 0.2670804 -2.7072386 1.0397383 -0.2901132 1.0664519 -3.4615033 10 N -2.0774780 -0.0861284 -0.0873339 -0.2670804 -2.7072386 -1.0397383 -0.2901132 -1.0664519 -3.4615033 11 N -2.0774780 0.0861284 -0.0873339 0.2670804 -2.7072386 1.0397383 -0.2901132 1.0664519 -3.4615033 12 N -2.0774780 -0.0861284 -0.0873339 -0.2670804 -2.7072386 -1.0397383 -0.2901132 -1.0664519 -3.4615033 13 Sr 2.4542905 -0.0698048 0.0839327 -0.1284277 2.8283715 0.0874555 -0.0551943 -0.1129464 2.5032734 14 Sr 2.1969918 -0.0070587 -0.0665574 -0.0049967 2.3362756 -0.2973372 0.1296112 -0.2131718 2.4269057 15 Sr 2.1969918 0.0070587 -0.0665574 0.0049967 2.3362756 0.2973372 0.1296112 0.2131718 2.4269057 16 Sr 2.1969918 -0.0070587 -0.0665574 -0.0049967 2.3362756 -0.2973372 0.1296112 -0.2131718 2.4269057 17 Sr 2.4542905 -0.0698048 0.0839327 -0.1284277 2.8283715 0.0874555 -0.0551943 -0.1129464 2.5032734 18 Sr 2.4542905 0.0698048 0.0839327 0.1284277 2.8283715 -0.0874555 -0.0551943 0.1129464 2.5032734 19 Sr 2.4542905 0.0698048 0.0839327 0.1284277 2.8283715 -0.0874555 -0.0551943 0.1129464 2.5032734 20 Sr 2.1969918 0.0070587 -0.0665574 0.0049967 2.3362756 0.2973372 0.1296112 0.2131718 2.4269057 21 Ta 3.6277311 -0.2150854 -0.0648437 0.2518939 2.6903202 0.3245067 -0.1499953 -0.0993182 3.2525465 22 Ta 3.6277311 0.2150854 -0.0648437 -0.2518939 2.6903202 -0.3245067 -0.1499953 0.0993182 3.2525465 23 Ta 3.6277311 -0.2150854 -0.0648437 0.2518939 2.6903202 0.3245067 -0.1499953 -0.0993182 3.2525465 24 Ta 3.6277311 0.2150854 -0.0648437 -0.2518939 2.6903202 -0.3245067 -0.1499953 0.0993182 3.2525465 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 12456/12456 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 241 eigenvectors found. (2) Block: 584 / 584 (2) 79 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 60 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 60 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 18), data: (568, 28) @ (28, 18) |-- (68, 60), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 18), data: (568, 28) @ (28, 18) |-- (68, 60), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 14), data: (584, 27) @ (27, 14) |-- (84, 79), data: True |-- (250, 241), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.768 Solver_block: 200 / 720 - Time: 0.644 Solver_block: 300 / 720 - Time: 0.642 Solver_block: 400 / 720 - Time: 0.644 Solver_block: 500 / 720 - Time: 0.631 Solver_block: 600 / 720 - Time: 0.647 Solver_block: 700 / 720 - Time: 0.644 Solver_block: 720 / 720 - Time: 0.230 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.957 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zx) 0.00000000 (zx) Permutation basis: 288/288 Permutation basis: 12456/12456 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 241 eigenvectors found. (2) Block: 584 / 584 (2) 79 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 60 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 240 eigenvectors found. (2) Block: 568 / 568 (2) 60 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 18), data: (568, 28) @ (28, 18) |-- (68, 60), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 18), data: (568, 28) @ (28, 18) |-- (68, 60), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 14), data: (584, 27) @ (27, 14) |-- (84, 79), data: True |-- (250, 241), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zx) 0.00000000 (zx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:27:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:27:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.991807660001036 -5.599805465000000 0.000000000000000 b 2.991807660001036 5.599805465000000 0.000000000000000 c -0.533584674361631 0.000000000000000 12.501143885916347 Atomic positions (fractional): 1 N 0.49753368498643 0.50246631501357 0.25000000000000 14.007 2 N 0.50246631501357 0.49753368498643 0.75000000000000 14.007 3 N 0.08734172502505 0.91265827497495 0.25000000000000 14.007 4 N 0.91265827497495 0.08734172502505 0.75000000000000 14.007 5 N 0.67168691290448 0.99799060128570 0.12424754743076 14.007 6 N 0.00200939871430 0.32831308709552 0.37575245256924 14.007 7 N 0.32831308709552 0.00200939871430 0.87575245256924 14.007 8 N 0.99799060128570 0.67168691290448 0.62424754743076 14.007 9 N 0.38539208301295 0.19831753165858 0.45971819767676 14.007 10 N 0.19831753165858 0.38539208301295 0.95971819767676 14.007 11 N 0.61460791698705 0.80168246834142 0.54028180232324 14.007 12 N 0.80168246834142 0.61460791698705 0.04028180232324 14.007 13 Sr 0.45944430841743 0.05564263003901 0.64077729531560 87.620 14 Sr 0.61351812194465 0.84491450714327 0.92324780081380 87.620 15 Sr 0.84491450714327 0.61351812194465 0.42324780081380 87.620 16 Sr 0.38648187805535 0.15508549285673 0.07675219918620 87.620 17 Sr 0.54055569158257 0.94435736996099 0.35922270468440 87.620 18 Sr 0.05564263003901 0.45944430841743 0.14077729531560 87.620 19 Sr 0.94435736996099 0.54055569158257 0.85922270468440 87.620 20 Sr 0.15508549285673 0.38648187805535 0.57675219918620 87.620 21 Ta 0.23445470945054 0.23111360575653 0.83608710016582 180.948 22 Ta 0.76888639424347 0.76554529054946 0.66391289983418 180.948 23 Ta 0.76554529054946 0.76888639424348 0.16391289983418 180.948 24 Ta 0.23111360575652 0.23445470945054 0.33608710016582 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.967230640004143 0.000000000000000 0.000000000000000 b 0.000000000000000 11.199610930000000 0.000000000000000 c -0.533584674361631 0.000000000000000 12.501143885916347 Atomic positions (fractional): 1 N 0.25000000000000 0.00246631501357 0.25000000000000 14.007 > 1 2 N 0.75000000000000 0.00246631501357 0.25000000000000 14.007 > 1 3 N 0.00000000000000 0.49753368498643 0.75000000000000 14.007 > 3 4 N 0.50000000000000 0.49753368498643 0.75000000000000 14.007 > 3 5 N 0.25000000000000 0.41265827497495 0.25000000000000 14.007 > 5 6 N 0.75000000000000 0.41265827497495 0.25000000000000 14.007 > 5 7 N 0.00000000000000 0.08734172502505 0.75000000000000 14.007 > 7 8 N 0.50000000000000 0.08734172502505 0.75000000000000 14.007 > 7 9 N 0.41741937854754 0.16315184419061 0.12424754743076 14.007 > 9 10 N 0.91741937854754 0.16315184419061 0.12424754743076 14.007 > 9 11 N 0.08258062145246 0.16315184419061 0.37575245256924 14.007 > 11 12 N 0.58258062145246 0.16315184419061 0.37575245256924 14.007 > 11 13 N 0.33258062145246 0.33684815580939 0.87575245256924 14.007 > 13 14 N 0.83258062145246 0.33684815580939 0.87575245256924 14.007 > 13 15 N 0.16741937854754 0.33684815580939 0.62424754743076 14.007 > 15 16 N 0.66741937854754 0.33684815580939 0.62424754743076 14.007 > 15 17 N 0.39592740366788 0.40646272432282 0.45971819767676 14.007 > 17 18 N 0.89592740366788 0.40646272432282 0.45971819767676 14.007 > 17 19 N 0.14592740366788 0.09353727567718 0.95971819767676 14.007 > 19 20 N 0.64592740366788 0.09353727567718 0.95971819767676 14.007 > 19 21 N 0.35407259633212 0.09353727567718 0.54028180232324 14.007 > 21 22 N 0.85407259633212 0.09353727567718 0.54028180232324 14.007 > 21 23 N 0.10407259633212 0.40646272432282 0.04028180232324 14.007 > 23 24 N 0.60407259633212 0.40646272432282 0.04028180232324 14.007 > 23 25 N 0.00000000000000 0.50246631501357 0.25000000000000 14.007 > 1 26 N 0.50000000000000 0.50246631501357 0.25000000000000 14.007 > 1 27 N 0.25000000000000 0.99753368498643 0.75000000000000 14.007 > 3 28 N 0.75000000000000 0.99753368498643 0.75000000000000 14.007 > 3 29 N 0.00000000000000 0.91265827497495 0.25000000000000 14.007 > 5 30 N 0.50000000000000 0.91265827497495 0.25000000000000 14.007 > 5 31 N 0.25000000000000 0.58734172502505 0.75000000000000 14.007 > 7 32 N 0.75000000000000 0.58734172502505 0.75000000000000 14.007 > 7 33 N 0.16741937854754 0.66315184419061 0.12424754743076 14.007 > 9 34 N 0.66741937854754 0.66315184419061 0.12424754743076 14.007 > 9 35 N 0.33258062145246 0.66315184419061 0.37575245256924 14.007 > 11 36 N 0.83258062145246 0.66315184419061 0.37575245256924 14.007 > 11 37 N 0.08258062145246 0.83684815580939 0.87575245256924 14.007 > 13 38 N 0.58258062145246 0.83684815580939 0.87575245256924 14.007 > 13 39 N 0.41741937854754 0.83684815580939 0.62424754743076 14.007 > 15 40 N 0.91741937854754 0.83684815580939 0.62424754743076 14.007 > 15 41 N 0.14592740366788 0.90646272432282 0.45971819767676 14.007 > 17 42 N 0.64592740366788 0.90646272432282 0.45971819767676 14.007 > 17 43 N 0.39592740366788 0.59353727567718 0.95971819767676 14.007 > 19 44 N 0.89592740366788 0.59353727567718 0.95971819767676 14.007 > 19 45 N 0.10407259633212 0.59353727567718 0.54028180232324 14.007 > 21 46 N 0.60407259633212 0.59353727567718 0.54028180232324 14.007 > 21 47 N 0.35407259633212 0.90646272432282 0.04028180232324 14.007 > 23 48 N 0.85407259633212 0.90646272432282 0.04028180232324 14.007 > 23 49 Sr 0.37877173461411 0.29809916081079 0.64077729531560 87.620 > 49 50 Sr 0.87877173461411 0.29809916081079 0.64077729531560 87.620 > 49 51 Sr 0.36460815727198 0.11569819259931 0.92324780081380 87.620 > 51 52 Sr 0.86460815727198 0.11569819259931 0.92324780081380 87.620 > 51 53 Sr 0.11460815727198 0.38430180740069 0.42324780081380 87.620 > 53 54 Sr 0.61460815727198 0.38430180740069 0.42324780081380 87.620 > 53 55 Sr 0.38539184272802 0.38430180740069 0.07675219918620 87.620 > 55 56 Sr 0.88539184272802 0.38430180740069 0.07675219918620 87.620 > 55 57 Sr 0.37122826538589 0.20190083918921 0.35922270468440 87.620 > 57 58 Sr 0.87122826538589 0.20190083918921 0.35922270468440 87.620 > 57 59 Sr 0.12877173461411 0.20190083918921 0.14077729531560 87.620 > 59 60 Sr 0.62877173461411 0.20190083918921 0.14077729531560 87.620 > 59 61 Sr 0.12122826538589 0.29809916081079 0.85922270468440 87.620 > 61 62 Sr 0.62122826538589 0.29809916081079 0.85922270468440 87.620 > 61 63 Sr 0.13539184272802 0.11569819259931 0.57675219918620 87.620 > 63 64 Sr 0.63539184272802 0.11569819259931 0.57675219918620 87.620 > 63 65 Sr 0.12877173461411 0.79809916081079 0.64077729531560 87.620 > 49 66 Sr 0.62877173461411 0.79809916081079 0.64077729531560 87.620 > 49 67 Sr 0.11460815727198 0.61569819259931 0.92324780081380 87.620 > 51 68 Sr 0.61460815727198 0.61569819259931 0.92324780081380 87.620 > 51 69 Sr 0.36460815727198 0.88430180740069 0.42324780081380 87.620 > 53 70 Sr 0.86460815727198 0.88430180740069 0.42324780081380 87.620 > 53 71 Sr 0.13539184272802 0.88430180740069 0.07675219918620 87.620 > 55 72 Sr 0.63539184272802 0.88430180740069 0.07675219918620 87.620 > 55 73 Sr 0.12122826538589 0.70190083918921 0.35922270468440 87.620 > 57 74 Sr 0.62122826538589 0.70190083918921 0.35922270468440 87.620 > 57 75 Sr 0.37877173461411 0.70190083918921 0.14077729531560 87.620 > 59 76 Sr 0.87877173461411 0.70190083918921 0.14077729531560 87.620 > 59 77 Sr 0.37122826538589 0.79809916081079 0.85922270468440 87.620 > 61 78 Sr 0.87122826538589 0.79809916081079 0.85922270468440 87.620 > 61 79 Sr 0.38539184272802 0.61569819259931 0.57675219918620 87.620 > 63 80 Sr 0.88539184272802 0.61569819259931 0.57675219918620 87.620 > 63 81 Ta 0.36639207880177 0.49832944815299 0.83608710016582 180.948 > 81 82 Ta 0.86639207880177 0.49832944815299 0.83608710016582 180.948 > 81 83 Ta 0.13360792119823 0.49832944815299 0.66391289983418 180.948 > 83 84 Ta 0.63360792119823 0.49832944815299 0.66391289983418 180.948 > 83 85 Ta 0.38360792119823 0.00167055184701 0.16391289983418 180.948 > 85 86 Ta 0.88360792119823 0.00167055184701 0.16391289983418 180.948 > 85 87 Ta 0.11639207880177 0.00167055184701 0.33608710016582 180.948 > 87 88 Ta 0.61639207880177 0.00167055184701 0.33608710016582 180.948 > 87 89 Ta 0.11639207880177 0.99832944815299 0.83608710016582 180.948 > 81 90 Ta 0.61639207880177 0.99832944815299 0.83608710016582 180.948 > 81 91 Ta 0.38360792119823 0.99832944815299 0.66391289983418 180.948 > 83 92 Ta 0.88360792119823 0.99832944815299 0.66391289983418 180.948 > 83 93 Ta 0.13360792119823 0.50167055184701 0.16391289983418 180.948 > 85 94 Ta 0.63360792119823 0.50167055184701 0.16391289983418 180.948 > 85 95 Ta 0.36639207880177 0.50167055184701 0.33608710016582 180.948 > 87 96 Ta 0.86639207880177 0.50167055184701 0.33608710016582 180.948 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0962600 0.0000000 -0.0371419 0.0000000 5.6931326 0.0000000 -0.0371439 0.0000000 5.9791982 -------------------------- Born effective charges -------------------------- 1 N -4.6828713 0.0000000 1.9490938 0.0000000 -0.9593208 0.0000000 2.0475778 0.0000000 -2.7124990 2 N -4.6828713 0.0000000 1.9490938 0.0000000 -0.9593208 0.0000000 2.0475778 0.0000000 -2.7124990 3 N -3.4056002 0.0000000 -1.7671041 0.0000000 -1.8296487 0.0000000 -1.2422068 0.0000000 -2.5016930 4 N -3.4056002 0.0000000 -1.7671041 0.0000000 -1.8296487 0.0000000 -1.2422068 0.0000000 -2.5016930 5 N -2.1572996 -0.5748318 0.0438075 -0.3909611 -3.7532440 0.6463106 -0.0369939 0.7248361 -2.1141262 6 N -2.1572996 0.5748318 0.0438075 0.3909611 -3.7532440 -0.6463106 -0.0369939 -0.7248361 -2.1141262 7 N -2.1572996 -0.5748318 0.0438075 -0.3909611 -3.7532440 0.6463106 -0.0369939 0.7248361 -2.1141262 8 N -2.1572996 0.5748318 0.0438075 0.3909611 -3.7532440 -0.6463106 -0.0369939 -0.7248361 -2.1141262 9 N -2.0774780 0.0861284 -0.0873339 0.2670804 -2.7072386 1.0397383 -0.2901132 1.0664519 -3.4615033 10 N -2.0774780 -0.0861284 -0.0873339 -0.2670804 -2.7072386 -1.0397383 -0.2901132 -1.0664519 -3.4615033 11 N -2.0774780 0.0861284 -0.0873339 0.2670804 -2.7072386 1.0397383 -0.2901132 1.0664519 -3.4615033 12 N -2.0774780 -0.0861284 -0.0873339 -0.2670804 -2.7072386 -1.0397383 -0.2901132 -1.0664519 -3.4615033 13 Sr 2.4542905 -0.0698048 0.0839327 -0.1284277 2.8283715 0.0874555 -0.0551943 -0.1129464 2.5032734 14 Sr 2.1969918 -0.0070587 -0.0665574 -0.0049967 2.3362756 -0.2973372 0.1296112 -0.2131718 2.4269057 15 Sr 2.1969918 0.0070587 -0.0665574 0.0049967 2.3362756 0.2973372 0.1296112 0.2131718 2.4269057 16 Sr 2.1969918 -0.0070587 -0.0665574 -0.0049967 2.3362756 -0.2973372 0.1296112 -0.2131718 2.4269057 17 Sr 2.4542905 -0.0698048 0.0839327 -0.1284277 2.8283715 0.0874555 -0.0551943 -0.1129464 2.5032734 18 Sr 2.4542905 0.0698048 0.0839327 0.1284277 2.8283715 -0.0874555 -0.0551943 0.1129464 2.5032734 19 Sr 2.4542905 0.0698048 0.0839327 0.1284277 2.8283715 -0.0874555 -0.0551943 0.1129464 2.5032734 20 Sr 2.1969918 0.0070587 -0.0665574 0.0049967 2.3362756 0.2973372 0.1296112 0.2131718 2.4269057 21 Ta 3.6277311 -0.2150854 -0.0648437 0.2518939 2.6903202 0.3245067 -0.1499953 -0.0993182 3.2525465 22 Ta 3.6277311 0.2150854 -0.0648437 -0.2518939 2.6903202 -0.3245067 -0.1499953 0.0993182 3.2525465 23 Ta 3.6277311 -0.2150854 -0.0648437 0.2518939 2.6903202 0.3245067 -0.1499953 -0.0993182 3.2525465 24 Ta 3.6277311 0.2150854 -0.0648437 -0.2518939 2.6903202 -0.3245067 -0.1499953 0.0993182 3.2525465 ---------------------------------------------------------------------------- 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 5, 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 51, 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:27:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:27:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.991807660001036 -5.599805465000000 0.000000000000000 b 2.991807660001036 5.599805465000000 0.000000000000000 c -0.533584674361631 0.000000000000000 12.501143885916347 Atomic positions (fractional): 1 N 0.49753368498643 0.50246631501357 0.25000000000000 14.007 2 N 0.50246631501357 0.49753368498643 0.75000000000000 14.007 3 N 0.08734172502505 0.91265827497495 0.25000000000000 14.007 4 N 0.91265827497495 0.08734172502505 0.75000000000000 14.007 5 N 0.67168691290448 0.99799060128570 0.12424754743076 14.007 6 N 0.00200939871430 0.32831308709552 0.37575245256924 14.007 7 N 0.32831308709552 0.00200939871430 0.87575245256924 14.007 8 N 0.99799060128570 0.67168691290448 0.62424754743076 14.007 9 N 0.38539208301295 0.19831753165858 0.45971819767676 14.007 10 N 0.19831753165858 0.38539208301295 0.95971819767676 14.007 11 N 0.61460791698705 0.80168246834142 0.54028180232324 14.007 12 N 0.80168246834142 0.61460791698705 0.04028180232324 14.007 13 Sr 0.45944430841743 0.05564263003901 0.64077729531560 87.620 14 Sr 0.61351812194465 0.84491450714327 0.92324780081380 87.620 15 Sr 0.84491450714327 0.61351812194465 0.42324780081380 87.620 16 Sr 0.38648187805535 0.15508549285673 0.07675219918620 87.620 17 Sr 0.54055569158257 0.94435736996099 0.35922270468440 87.620 18 Sr 0.05564263003901 0.45944430841743 0.14077729531560 87.620 19 Sr 0.94435736996099 0.54055569158257 0.85922270468440 87.620 20 Sr 0.15508549285673 0.38648187805535 0.57675219918620 87.620 21 Ta 0.23445470945054 0.23111360575653 0.83608710016582 180.948 22 Ta 0.76888639424347 0.76554529054946 0.66391289983418 180.948 23 Ta 0.76554529054946 0.76888639424348 0.16391289983418 180.948 24 Ta 0.23111360575652 0.23445470945054 0.33608710016582 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.967230640004143 0.000000000000000 0.000000000000000 b 0.000000000000000 11.199610930000000 0.000000000000000 c -0.533584674361631 0.000000000000000 12.501143885916347 Atomic positions (fractional): 1 N 0.25000000000000 0.00246631501357 0.25000000000000 14.007 > 1 2 N 0.75000000000000 0.00246631501357 0.25000000000000 14.007 > 1 3 N 0.00000000000000 0.49753368498643 0.75000000000000 14.007 > 3 4 N 0.50000000000000 0.49753368498643 0.75000000000000 14.007 > 3 5 N 0.25000000000000 0.41265827497495 0.25000000000000 14.007 > 5 6 N 0.75000000000000 0.41265827497495 0.25000000000000 14.007 > 5 7 N 0.00000000000000 0.08734172502505 0.75000000000000 14.007 > 7 8 N 0.50000000000000 0.08734172502505 0.75000000000000 14.007 > 7 9 N 0.41741937854754 0.16315184419061 0.12424754743076 14.007 > 9 10 N 0.91741937854754 0.16315184419061 0.12424754743076 14.007 > 9 11 N 0.08258062145246 0.16315184419061 0.37575245256924 14.007 > 11 12 N 0.58258062145246 0.16315184419061 0.37575245256924 14.007 > 11 13 N 0.33258062145246 0.33684815580939 0.87575245256924 14.007 > 13 14 N 0.83258062145246 0.33684815580939 0.87575245256924 14.007 > 13 15 N 0.16741937854754 0.33684815580939 0.62424754743076 14.007 > 15 16 N 0.66741937854754 0.33684815580939 0.62424754743076 14.007 > 15 17 N 0.39592740366788 0.40646272432282 0.45971819767676 14.007 > 17 18 N 0.89592740366788 0.40646272432282 0.45971819767676 14.007 > 17 19 N 0.14592740366788 0.09353727567718 0.95971819767676 14.007 > 19 20 N 0.64592740366788 0.09353727567718 0.95971819767676 14.007 > 19 21 N 0.35407259633212 0.09353727567718 0.54028180232324 14.007 > 21 22 N 0.85407259633212 0.09353727567718 0.54028180232324 14.007 > 21 23 N 0.10407259633212 0.40646272432282 0.04028180232324 14.007 > 23 24 N 0.60407259633212 0.40646272432282 0.04028180232324 14.007 > 23 25 N 0.00000000000000 0.50246631501357 0.25000000000000 14.007 > 1 26 N 0.50000000000000 0.50246631501357 0.25000000000000 14.007 > 1 27 N 0.25000000000000 0.99753368498643 0.75000000000000 14.007 > 3 28 N 0.75000000000000 0.99753368498643 0.75000000000000 14.007 > 3 29 N 0.00000000000000 0.91265827497495 0.25000000000000 14.007 > 5 30 N 0.50000000000000 0.91265827497495 0.25000000000000 14.007 > 5 31 N 0.25000000000000 0.58734172502505 0.75000000000000 14.007 > 7 32 N 0.75000000000000 0.58734172502505 0.75000000000000 14.007 > 7 33 N 0.16741937854754 0.66315184419061 0.12424754743076 14.007 > 9 34 N 0.66741937854754 0.66315184419061 0.12424754743076 14.007 > 9 35 N 0.33258062145246 0.66315184419061 0.37575245256924 14.007 > 11 36 N 0.83258062145246 0.66315184419061 0.37575245256924 14.007 > 11 37 N 0.08258062145246 0.83684815580939 0.87575245256924 14.007 > 13 38 N 0.58258062145246 0.83684815580939 0.87575245256924 14.007 > 13 39 N 0.41741937854754 0.83684815580939 0.62424754743076 14.007 > 15 40 N 0.91741937854754 0.83684815580939 0.62424754743076 14.007 > 15 41 N 0.14592740366788 0.90646272432282 0.45971819767676 14.007 > 17 42 N 0.64592740366788 0.90646272432282 0.45971819767676 14.007 > 17 43 N 0.39592740366788 0.59353727567718 0.95971819767676 14.007 > 19 44 N 0.89592740366788 0.59353727567718 0.95971819767676 14.007 > 19 45 N 0.10407259633212 0.59353727567718 0.54028180232324 14.007 > 21 46 N 0.60407259633212 0.59353727567718 0.54028180232324 14.007 > 21 47 N 0.35407259633212 0.90646272432282 0.04028180232324 14.007 > 23 48 N 0.85407259633212 0.90646272432282 0.04028180232324 14.007 > 23 49 Sr 0.37877173461411 0.29809916081079 0.64077729531560 87.620 > 49 50 Sr 0.87877173461411 0.29809916081079 0.64077729531560 87.620 > 49 51 Sr 0.36460815727198 0.11569819259931 0.92324780081380 87.620 > 51 52 Sr 0.86460815727198 0.11569819259931 0.92324780081380 87.620 > 51 53 Sr 0.11460815727198 0.38430180740069 0.42324780081380 87.620 > 53 54 Sr 0.61460815727198 0.38430180740069 0.42324780081380 87.620 > 53 55 Sr 0.38539184272802 0.38430180740069 0.07675219918620 87.620 > 55 56 Sr 0.88539184272802 0.38430180740069 0.07675219918620 87.620 > 55 57 Sr 0.37122826538589 0.20190083918921 0.35922270468440 87.620 > 57 58 Sr 0.87122826538589 0.20190083918921 0.35922270468440 87.620 > 57 59 Sr 0.12877173461411 0.20190083918921 0.14077729531560 87.620 > 59 60 Sr 0.62877173461411 0.20190083918921 0.14077729531560 87.620 > 59 61 Sr 0.12122826538589 0.29809916081079 0.85922270468440 87.620 > 61 62 Sr 0.62122826538589 0.29809916081079 0.85922270468440 87.620 > 61 63 Sr 0.13539184272802 0.11569819259931 0.57675219918620 87.620 > 63 64 Sr 0.63539184272802 0.11569819259931 0.57675219918620 87.620 > 63 65 Sr 0.12877173461411 0.79809916081079 0.64077729531560 87.620 > 49 66 Sr 0.62877173461411 0.79809916081079 0.64077729531560 87.620 > 49 67 Sr 0.11460815727198 0.61569819259931 0.92324780081380 87.620 > 51 68 Sr 0.61460815727198 0.61569819259931 0.92324780081380 87.620 > 51 69 Sr 0.36460815727198 0.88430180740069 0.42324780081380 87.620 > 53 70 Sr 0.86460815727198 0.88430180740069 0.42324780081380 87.620 > 53 71 Sr 0.13539184272802 0.88430180740069 0.07675219918620 87.620 > 55 72 Sr 0.63539184272802 0.88430180740069 0.07675219918620 87.620 > 55 73 Sr 0.12122826538589 0.70190083918921 0.35922270468440 87.620 > 57 74 Sr 0.62122826538589 0.70190083918921 0.35922270468440 87.620 > 57 75 Sr 0.37877173461411 0.70190083918921 0.14077729531560 87.620 > 59 76 Sr 0.87877173461411 0.70190083918921 0.14077729531560 87.620 > 59 77 Sr 0.37122826538589 0.79809916081079 0.85922270468440 87.620 > 61 78 Sr 0.87122826538589 0.79809916081079 0.85922270468440 87.620 > 61 79 Sr 0.38539184272802 0.61569819259931 0.57675219918620 87.620 > 63 80 Sr 0.88539184272802 0.61569819259931 0.57675219918620 87.620 > 63 81 Ta 0.36639207880177 0.49832944815299 0.83608710016582 180.948 > 81 82 Ta 0.86639207880177 0.49832944815299 0.83608710016582 180.948 > 81 83 Ta 0.13360792119823 0.49832944815299 0.66391289983418 180.948 > 83 84 Ta 0.63360792119823 0.49832944815299 0.66391289983418 180.948 > 83 85 Ta 0.38360792119823 0.00167055184701 0.16391289983418 180.948 > 85 86 Ta 0.88360792119823 0.00167055184701 0.16391289983418 180.948 > 85 87 Ta 0.11639207880177 0.00167055184701 0.33608710016582 180.948 > 87 88 Ta 0.61639207880177 0.00167055184701 0.33608710016582 180.948 > 87 89 Ta 0.11639207880177 0.99832944815299 0.83608710016582 180.948 > 81 90 Ta 0.61639207880177 0.99832944815299 0.83608710016582 180.948 > 81 91 Ta 0.38360792119823 0.99832944815299 0.66391289983418 180.948 > 83 92 Ta 0.88360792119823 0.99832944815299 0.66391289983418 180.948 > 83 93 Ta 0.13360792119823 0.50167055184701 0.16391289983418 180.948 > 85 94 Ta 0.63360792119823 0.50167055184701 0.16391289983418 180.948 > 85 95 Ta 0.36639207880177 0.50167055184701 0.33608710016582 180.948 > 87 96 Ta 0.86639207880177 0.50167055184701 0.33608710016582 180.948 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.0962600 0.0000000 -0.0371419 0.0000000 5.6931326 0.0000000 -0.0371439 0.0000000 5.9791982 -------------------------- Born effective charges -------------------------- 1 N -4.6828713 0.0000000 1.9490938 0.0000000 -0.9593208 0.0000000 2.0475778 0.0000000 -2.7124990 2 N -4.6828713 0.0000000 1.9490938 0.0000000 -0.9593208 0.0000000 2.0475778 0.0000000 -2.7124990 3 N -3.4056002 0.0000000 -1.7671041 0.0000000 -1.8296487 0.0000000 -1.2422068 0.0000000 -2.5016930 4 N -3.4056002 0.0000000 -1.7671041 0.0000000 -1.8296487 0.0000000 -1.2422068 0.0000000 -2.5016930 5 N -2.1572996 -0.5748318 0.0438075 -0.3909611 -3.7532440 0.6463106 -0.0369939 0.7248361 -2.1141262 6 N -2.1572996 0.5748318 0.0438075 0.3909611 -3.7532440 -0.6463106 -0.0369939 -0.7248361 -2.1141262 7 N -2.1572996 -0.5748318 0.0438075 -0.3909611 -3.7532440 0.6463106 -0.0369939 0.7248361 -2.1141262 8 N -2.1572996 0.5748318 0.0438075 0.3909611 -3.7532440 -0.6463106 -0.0369939 -0.7248361 -2.1141262 9 N -2.0774780 0.0861284 -0.0873339 0.2670804 -2.7072386 1.0397383 -0.2901132 1.0664519 -3.4615033 10 N -2.0774780 -0.0861284 -0.0873339 -0.2670804 -2.7072386 -1.0397383 -0.2901132 -1.0664519 -3.4615033 11 N -2.0774780 0.0861284 -0.0873339 0.2670804 -2.7072386 1.0397383 -0.2901132 1.0664519 -3.4615033 12 N -2.0774780 -0.0861284 -0.0873339 -0.2670804 -2.7072386 -1.0397383 -0.2901132 -1.0664519 -3.4615033 13 Sr 2.4542905 -0.0698048 0.0839327 -0.1284277 2.8283715 0.0874555 -0.0551943 -0.1129464 2.5032734 14 Sr 2.1969918 -0.0070587 -0.0665574 -0.0049967 2.3362756 -0.2973372 0.1296112 -0.2131718 2.4269057 15 Sr 2.1969918 0.0070587 -0.0665574 0.0049967 2.3362756 0.2973372 0.1296112 0.2131718 2.4269057 16 Sr 2.1969918 -0.0070587 -0.0665574 -0.0049967 2.3362756 -0.2973372 0.1296112 -0.2131718 2.4269057 17 Sr 2.4542905 -0.0698048 0.0839327 -0.1284277 2.8283715 0.0874555 -0.0551943 -0.1129464 2.5032734 18 Sr 2.4542905 0.0698048 0.0839327 0.1284277 2.8283715 -0.0874555 -0.0551943 0.1129464 2.5032734 19 Sr 2.4542905 0.0698048 0.0839327 0.1284277 2.8283715 -0.0874555 -0.0551943 0.1129464 2.5032734 20 Sr 2.1969918 0.0070587 -0.0665574 0.0049967 2.3362756 0.2973372 0.1296112 0.2131718 2.4269057 21 Ta 3.6277311 -0.2150854 -0.0648437 0.2518939 2.6903202 0.3245067 -0.1499953 -0.0993182 3.2525465 22 Ta 3.6277311 0.2150854 -0.0648437 -0.2518939 2.6903202 -0.3245067 -0.1499953 0.0993182 3.2525465 23 Ta 3.6277311 -0.2150854 -0.0648437 0.2518939 2.6903202 0.3245067 -0.1499953 -0.0993182 3.2525465 24 Ta 3.6277311 0.2150854 -0.0648437 -0.2518939 2.6903202 -0.3245067 -0.1499953 0.0993182 3.2525465 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 305, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/95) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.308 ( 0.000 0.000 0.000) 0.000 1.999 ( 0.000 0.000 0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 2.116 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.927 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 0.000 0.000) 0.000 3.109 ( 0.000 0.000 0.000) 0.000 3.168 ( 0.000 0.000 0.000) 0.000 3.263 ( 0.000 0.000 0.000) 0.000 3.712 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 4.000 ( 0.000 0.000 0.000) 0.000 4.029 ( 0.000 0.000 0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 4.147 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 0.000 0.000) 0.000 4.329 ( 0.000 0.000 0.000) 0.000 4.400 ( 0.000 0.000 0.000) 0.000 4.526 ( 0.000 0.000 0.000) 0.000 4.721 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.908 ( 0.000 0.000 0.000) 0.000 4.973 ( 0.000 0.000 0.000) 0.000 5.010 ( 0.000 0.000 0.000) 0.000 5.111 ( 0.000 0.000 0.000) 0.000 5.184 ( 0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.439 ( 0.000 0.000 0.000) 0.000 5.643 ( 0.000 0.000 0.000) 0.000 5.881 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.505 ( 0.000 0.000 0.000) 0.000 6.851 ( 0.000 0.000 0.000) 0.000 7.776 ( 0.000 0.000 0.000) 0.000 7.785 ( 0.000 0.000 0.000) 0.000 7.920 ( 0.000 0.000 0.000) 0.000 8.464 ( 0.000 0.000 0.000) 0.000 8.858 ( 0.000 0.000 0.000) 0.000 9.118 ( 0.000 0.000 0.000) 0.000 9.161 ( 0.000 0.000 0.000) 0.000 9.166 ( 0.000 0.000 0.000) 0.000 9.429 ( 0.000 0.000 0.000) 0.000 9.920 ( 0.000 0.000 0.000) 0.000 10.016 ( 0.000 0.000 0.000) 0.000 10.339 ( 0.000 0.000 0.000) 0.000 10.447 ( 0.000 0.000 0.000) 0.000 10.575 ( 0.000 0.000 0.000) 0.000 11.290 ( 0.000 0.000 0.000) 0.000 11.445 ( 0.000 0.000 0.000) 0.000 11.642 ( 0.000 0.000 0.000) 0.000 11.749 ( 0.000 0.000 0.000) 0.000 14.904 ( 0.000 0.000 0.000) 0.000 14.961 ( 0.000 0.000 0.000) 0.000 20.347 ( 0.000 0.000 0.000) 0.000 20.413 ( 0.000 0.000 0.000) 0.000 20.673 ( 0.000 0.000 0.000) 0.000 21.186 ( 0.000 0.000 0.000) 0.000 21.261 ( 0.000 0.000 0.000) 0.000 21.755 ( 0.000 0.000 0.000) 0.000 22.392 ( 0.000 0.000 0.000) 0.000 23.538 ( 0.000 0.000 0.000) 0.000 24.402 ( 0.000 0.000 0.000) 0.000 24.769 ( 0.000 0.000 0.000) 0.000 28.115 ( 0.000 0.000 0.000) 0.000 28.309 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/95) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 17.644 -14.483 7.728) 24.099 0.552 ( 20.745 -15.614 3.247) 26.166 0.927 ( 36.438 -18.906 -6.294) 41.531 1.596 ( 24.703 -1.825 4.533) 25.182 2.033 ( -8.015 -2.822 -9.333) 12.621 2.051 ( 1.977 -4.791 19.695) 20.366 2.132 ( 6.803 -2.515 -17.728) 19.154 2.438 ( -7.006 -2.874 2.985) 8.139 2.850 ( -5.193 0.491 5.825) 7.819 2.941 ( 0.300 3.645 -1.789) 4.071 3.000 ( 2.839 0.701 -0.383) 2.950 3.054 ( 0.325 -0.656 -3.453) 3.530 3.125 ( -4.066 -0.541 -0.321) 4.114 3.233 ( -1.542 3.587 -0.060) 3.905 3.303 ( 3.113 -5.978 1.598) 6.926 3.694 ( -2.154 1.252 -1.887) 3.125 3.884 ( -5.534 1.507 -0.627) 5.770 3.935 ( -9.116 0.965 0.766) 9.199 3.964 ( -6.324 0.725 5.573) 8.460 3.993 ( -4.915 -1.423 0.730) 5.169 4.135 ( -0.916 4.940 -4.910) 7.025 4.223 ( -9.053 7.454 -0.862) 11.759 4.252 ( -1.027 1.771 1.779) 2.712 4.397 ( -2.864 8.063 -3.542) 9.261 4.580 ( 4.184 3.403 -0.124) 5.395 4.822 ( -5.638 -9.294 1.030) 10.920 4.830 ( -0.188 -0.070 -1.601) 1.614 4.898 ( -2.215 2.097 2.285) 3.811 4.957 ( -0.180 3.988 1.473) 4.255 5.062 ( 2.889 -1.884 -3.099) 4.637 5.121 ( -2.205 -6.056 1.909) 6.722 5.239 ( -2.218 -4.051 -14.780) 15.485 5.343 ( -1.947 -0.251 3.858) 4.329 5.545 ( 10.104 1.041 -7.984) 12.920 5.674 ( 9.039 0.878 -8.021) 12.117 5.865 ( 11.335 6.602 17.961) 22.241 5.920 ( 4.529 -0.456 0.427) 4.572 6.240 ( 5.422 1.604 12.915) 14.099 6.575 ( 7.879 0.930 -0.945) 7.990 6.814 ( -6.547 -2.303 6.818) 9.729 7.776 ( 0.736 1.073 -0.279) 1.330 7.809 ( 0.305 -5.446 -5.272) 7.586 8.096 ( 13.585 4.825 -4.136) 14.998 8.518 ( 4.380 0.390 -10.007) 10.930 8.950 ( -12.056 8.436 7.028) 16.306 8.977 ( -9.237 -3.453 -0.361) 9.868 9.092 ( -13.119 -3.505 10.075) 16.908 9.352 ( 7.114 -4.389 5.759) 10.151 10.002 ( 4.537 3.576 -1.477) 5.962 10.128 ( 0.451 -1.931 4.179) 4.626 10.208 ( 20.378 30.172 -7.164) 37.108 10.423 ( 1.716 -0.549 0.055) 1.802 10.454 ( 9.102 7.199 -6.626) 13.363 10.625 ( 5.908 -0.199 5.383) 7.994 11.263 ( -2.474 0.351 -4.475) 5.125 11.493 ( 4.797 1.032 3.748) 6.175 11.679 ( -5.647 -4.668 -4.003) 8.350 11.795 ( 5.051 0.759 2.638) 5.749 14.904 ( -0.175 -0.610 -0.763) 0.992 15.057 ( -5.592 -12.220 0.129) 13.439 20.352 ( 0.074 2.459 5.203) 5.755 20.445 ( 1.282 -2.417 -0.778) 2.844 20.709 ( 2.917 -2.163 -2.499) 4.408 21.214 ( 0.163 1.988 3.255) 3.817 21.594 ( -15.960 -17.500 30.257) 38.425 21.764 ( -6.190 -13.601 4.684) 15.660 23.383 ( -12.335 4.896 3.506) 13.727 23.832 ( -15.447 11.397 -30.739) 36.241 24.701 ( 20.707 1.540 -8.068) 22.277 24.925 ( 13.792 -0.487 0.806) 13.824 28.300 ( -0.916 0.157 3.092) 3.229 28.408 ( 6.583 12.294 -19.559) 24.022 ======================= Grid point 2 (3/95) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 12.522 -15.087 3.272) 19.878 1.078 ( 20.259 -12.153 8.854) 25.229 1.521 ( 6.883 -5.073 -10.041) 13.188 1.992 ( 4.734 -17.253 -4.679) 18.492 2.037 ( 8.029 0.038 2.341) 8.364 2.214 ( 10.969 -9.431 0.286) 14.469 2.262 ( 9.323 1.256 3.187) 9.932 2.473 ( 3.780 -4.279 -3.181) 6.536 2.752 ( -3.489 3.761 2.090) 5.540 2.891 ( -0.491 2.870 -0.602) 2.974 3.004 ( 0.160 -3.029 -3.464) 4.604 3.033 ( -2.574 4.997 -0.309) 5.629 3.112 ( 0.758 -1.159 2.572) 2.921 3.139 ( -1.208 0.115 0.790) 1.449 3.420 ( -0.186 -6.038 4.066) 7.282 3.571 ( -12.611 -0.057 -1.068) 12.657 3.709 ( -4.508 1.610 -1.675) 5.072 3.764 ( -9.181 -1.307 0.379) 9.281 3.839 ( -9.987 0.062 2.833) 10.381 3.918 ( -4.406 0.617 1.185) 4.604 3.970 ( -3.459 8.572 2.150) 9.490 4.059 ( -4.105 2.849 -3.007) 5.832 4.204 ( 0.058 6.014 -0.131) 6.016 4.290 ( -2.966 0.267 -2.912) 4.165 4.577 ( 0.285 6.439 -1.601) 6.641 4.721 ( -4.406 4.455 -0.430) 6.280 4.826 ( -0.755 -1.087 -1.264) 1.830 4.880 ( 1.990 1.234 3.633) 4.322 4.961 ( 0.646 -0.493 0.869) 1.190 5.107 ( 0.781 -1.109 -1.750) 2.214 5.174 ( 1.254 -2.081 -1.712) 2.972 5.240 ( -1.512 -5.825 -5.076) 7.873 5.306 ( -1.837 -0.383 3.166) 3.681 5.632 ( 2.023 2.804 -2.702) 4.388 5.881 ( 11.496 0.301 -8.973) 14.586 5.995 ( 8.550 5.181 5.241) 11.288 6.076 ( 7.883 -2.888 1.929) 8.614 6.342 ( 3.959 1.926 13.239) 13.952 6.718 ( 7.388 5.460 -2.970) 9.655 6.828 ( 13.042 -0.723 -0.262) 13.065 7.793 ( 3.252 2.655 2.665) 4.973 7.917 ( 4.409 -3.454 1.107) 5.709 8.241 ( 7.609 5.796 -4.133) 10.420 8.478 ( -2.406 6.288 -7.534) 10.104 8.625 ( -14.221 4.850 8.748) 17.387 8.862 ( -10.306 -3.112 -3.166) 11.221 9.077 ( 6.906 -6.794 -1.275) 9.771 9.455 ( -4.535 -5.856 1.032) 7.479 9.972 ( -3.315 0.222 1.816) 3.786 10.060 ( -5.962 -1.783 3.070) 6.939 10.272 ( 14.341 18.100 -6.355) 23.951 10.458 ( -0.181 0.020 3.587) 3.591 10.617 ( 10.879 2.772 1.331) 11.305 10.863 ( 14.582 -3.780 3.111) 15.382 11.196 ( -3.758 -0.802 -5.878) 7.023 11.573 ( 3.920 1.277 5.019) 6.496 11.614 ( -1.869 1.804 -6.156) 6.681 11.909 ( 7.829 1.938 2.324) 8.394 14.910 ( -0.111 -1.192 -0.846) 1.466 15.078 ( -1.286 -4.646 0.311) 4.831 20.340 ( 0.229 1.045 4.663) 4.784 20.485 ( 0.868 -1.386 -3.618) 3.970 20.818 ( 5.324 -4.200 -3.394) 7.583 21.195 ( -1.590 -0.601 1.963) 2.597 21.482 ( -9.357 -5.574 8.001) 13.514 21.813 ( -3.383 -13.768 6.155) 15.456 23.061 ( -15.359 6.177 5.619) 17.482 23.405 ( -16.784 9.662 -16.419) 25.390 25.040 ( 16.744 0.406 -2.604) 16.951 25.199 ( 14.503 1.369 0.701) 14.585 28.282 ( -0.887 0.323 3.437) 3.564 28.385 ( 1.861 5.878 -7.196) 9.476 ======================= Grid point 3 (4/95) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -0.283 -13.348 -2.238) 13.537 1.472 ( 11.409 0.447 4.314) 12.206 1.646 ( 12.068 -12.993 -5.465) 18.556 2.020 ( -2.533 -1.001 1.059) 2.923 2.188 ( -6.808 0.399 0.477) 6.836 2.355 ( 4.624 -2.547 4.166) 6.725 2.457 ( 0.925 -0.803 -2.587) 2.862 2.627 ( 7.593 -8.413 0.534) 11.346 2.702 ( -2.794 1.085 -3.179) 4.369 2.857 ( -4.078 4.917 -1.134) 6.488 2.959 ( 7.614 -2.348 -1.313) 8.075 3.105 ( 4.934 -1.797 -0.920) 5.331 3.164 ( 0.756 0.191 2.875) 2.979 3.171 ( 0.171 -5.048 0.942) 5.138 3.329 ( -7.401 -0.785 -1.218) 7.541 3.480 ( 3.640 1.772 0.678) 4.105 3.556 ( -8.556 -2.744 3.915) 9.801 3.636 ( -5.947 0.793 0.380) 6.012 3.739 ( -5.642 0.595 -1.411) 5.846 3.815 ( -1.295 5.351 3.161) 6.348 3.865 ( -1.730 0.590 -0.457) 1.884 4.024 ( -0.441 -3.511 0.494) 3.573 4.144 ( -0.835 4.601 -1.167) 4.820 4.266 ( 0.248 -1.449 1.350) 1.996 4.481 ( -2.774 5.525 -0.870) 6.243 4.627 ( 0.093 9.055 -3.289) 9.635 4.814 ( -0.273 -0.361 -2.595) 2.634 4.926 ( 1.807 1.163 1.701) 2.741 4.972 ( 1.549 -0.684 -1.419) 2.209 5.144 ( 1.955 -1.506 0.779) 2.588 5.192 ( -1.029 -3.600 1.138) 3.914 5.277 ( 0.348 0.506 -1.151) 1.304 5.299 ( 0.544 -3.653 0.240) 3.701 5.602 ( -1.223 2.856 -0.742) 3.194 6.021 ( 6.333 3.258 -7.055) 10.024 6.089 ( 3.684 1.927 -1.835) 4.545 6.157 ( -1.338 -1.668 6.001) 6.371 6.344 ( -0.993 3.423 7.398) 8.212 6.913 ( 18.980 3.037 -5.381) 19.961 7.172 ( 19.313 -0.636 0.298) 19.325 7.847 ( 3.981 3.520 3.313) 6.263 7.946 ( -2.972 0.521 5.196) 6.008 8.251 ( -2.029 4.159 -0.681) 4.677 8.354 ( -4.176 -1.768 -6.192) 7.675 8.491 ( 2.751 2.699 1.694) 4.210 8.701 ( -5.931 2.295 -1.733) 6.591 9.197 ( -14.074 -4.591 0.264) 14.806 9.350 ( 1.685 -3.851 1.637) 4.511 9.893 ( -3.774 2.458 -1.594) 4.778 10.065 ( 1.657 -5.942 1.545) 6.359 10.373 ( 7.213 12.036 -5.816) 15.189 10.437 ( 2.112 -2.732 0.883) 3.565 10.761 ( 7.407 5.282 5.226) 10.491 11.064 ( 0.952 -1.500 -0.707) 1.912 11.227 ( 6.536 -5.462 2.532) 8.886 11.575 ( 0.866 3.189 -7.973) 8.631 11.611 ( 1.188 1.160 3.949) 4.284 12.027 ( 6.458 2.378 1.128) 6.974 14.922 ( 0.023 -1.363 -0.483) 1.446 15.098 ( -0.015 -1.677 0.169) 1.686 20.352 ( 1.040 -0.271 5.520) 5.623 20.493 ( -0.345 0.079 -5.804) 5.814 20.965 ( 5.742 -4.138 -4.109) 8.184 21.173 ( -1.757 -0.908 2.498) 3.186 21.385 ( -6.107 -3.366 1.985) 7.250 21.923 ( 0.745 -11.881 6.354) 13.494 22.743 ( -12.432 4.641 5.555) 14.386 23.009 ( -13.820 9.641 -11.417) 20.354 25.295 ( 10.918 0.087 -0.975) 10.962 25.409 ( 9.609 2.005 0.452) 9.827 28.268 ( -0.473 0.390 2.005) 2.097 28.353 ( 0.116 3.278 -2.692) 4.244 ======================= Grid point 4 (5/95) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -0.590 -4.739 -2.827) 5.550 1.673 ( 7.827 -2.253 -0.899) 8.194 1.902 ( -2.489 -3.507 -3.383) 5.471 1.971 ( -5.448 3.628 5.804) 8.748 2.115 ( 11.624 -6.410 2.744) 13.555 2.393 ( -5.678 4.428 -1.345) 7.325 2.461 ( 2.894 -1.109 -0.791) 3.198 2.520 ( -6.077 5.346 -0.818) 8.135 2.757 ( -1.396 -5.315 -1.787) 5.778 2.825 ( 0.223 -5.656 0.245) 5.666 2.966 ( -3.542 9.015 4.561) 10.706 3.171 ( 2.158 -1.397 -0.629) 2.647 3.207 ( -0.039 -2.845 2.659) 3.895 3.299 ( 5.349 -6.763 -6.892) 11.038 3.354 ( 3.572 -3.704 -3.115) 6.015 3.413 ( -1.634 0.221 1.173) 2.023 3.504 ( -5.522 4.170 2.590) 7.389 3.591 ( -0.315 1.072 -0.465) 1.210 3.639 ( 1.243 -0.342 1.002) 1.632 3.760 ( -1.873 4.763 2.611) 5.745 3.808 ( -2.156 2.115 -0.906) 3.153 4.083 ( 0.349 0.244 1.822) 1.871 4.187 ( 5.481 -11.389 -2.128) 12.817 4.308 ( 0.962 -1.750 1.179) 2.319 4.385 ( -3.269 3.157 2.811) 5.344 4.487 ( -2.406 11.837 -2.685) 12.374 4.824 ( 0.076 0.104 -0.384) 0.405 4.931 ( 0.111 -0.676 -1.514) 1.662 5.026 ( 3.577 0.754 -1.718) 4.039 5.174 ( -0.483 -0.354 1.987) 2.075 5.233 ( -0.730 -4.986 2.469) 5.611 5.261 ( 0.616 1.801 -3.003) 3.556 5.389 ( 4.843 -2.943 1.322) 5.819 5.531 ( -3.369 3.168 -1.618) 4.900 6.026 ( -1.818 2.055 -1.018) 2.926 6.102 ( 2.358 -1.219 -3.906) 4.723 6.176 ( 0.790 1.705 2.513) 3.138 6.268 ( -2.997 1.746 3.602) 5.000 7.283 ( 20.703 0.247 -3.542) 21.005 7.433 ( 5.691 -1.256 2.441) 6.318 7.680 ( -15.793 0.432 3.050) 16.091 8.025 ( 9.946 6.336 1.380) 11.873 8.166 ( -2.481 -2.039 -2.536) 4.092 8.420 ( 6.403 -1.953 -5.283) 8.527 8.498 ( 2.302 3.073 -1.278) 4.047 8.625 ( -3.162 0.198 2.563) 4.075 8.849 ( -18.801 -2.136 3.669) 19.275 9.471 ( 3.595 -1.500 1.071) 4.040 9.822 ( -1.067 1.539 -2.150) 2.851 10.163 ( -0.171 -8.244 10.399) 13.272 10.284 ( 0.128 9.555 -12.575) 15.794 10.573 ( 4.346 -2.674 -1.507) 5.321 10.791 ( 1.669 4.205 3.218) 5.551 11.072 ( -0.407 -1.214 0.706) 1.462 11.386 ( 3.395 -3.200 3.820) 6.030 11.562 ( 0.979 2.257 -5.565) 6.085 11.611 ( -0.082 0.503 1.700) 1.775 12.092 ( 2.318 1.129 0.178) 2.584 14.933 ( 0.052 -0.640 -0.118) 0.653 15.109 ( 0.107 -0.347 0.031) 0.364 20.386 ( 1.248 -0.728 4.660) 4.879 20.468 ( -0.978 0.633 -4.920) 5.056 21.085 ( 3.884 -1.863 -4.326) 6.105 21.148 ( -1.938 -0.091 3.565) 4.059 21.331 ( -2.329 -1.469 0.235) 2.764 22.056 ( 1.976 -5.958 3.875) 7.377 22.559 ( -4.277 0.257 3.330) 5.427 22.712 ( -7.027 6.842 -6.347) 11.682 25.433 ( 3.807 0.009 -0.287) 3.818 25.515 ( 3.299 0.904 0.175) 3.426 28.261 ( -0.141 0.184 0.583) 0.627 28.328 ( -0.170 1.111 -0.652) 1.299 ======================= Grid point 10 (6/95) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 16.586 0.000 -7.312) 18.127 0.917 ( 23.505 0.000 8.456) 24.980 1.515 ( 29.216 0.000 -2.187) 29.297 1.756 ( -7.403 -0.000 -4.790) 8.818 2.036 ( -1.559 -0.000 -0.081) 1.561 2.152 ( 20.239 0.000 -0.008) 20.239 2.276 ( 9.027 0.000 13.403) 16.160 2.423 ( 8.726 0.000 -10.919) 13.978 2.790 ( -1.721 -0.000 4.933) 5.224 2.924 ( -8.885 -0.000 0.865) 8.927 2.968 ( 0.806 0.000 -2.746) 2.862 3.076 ( 3.380 0.000 -2.506) 4.208 3.096 ( 1.310 0.000 -1.039) 1.672 3.160 ( -6.912 -0.000 1.739) 7.127 3.339 ( 3.656 0.000 2.747) 4.573 3.567 ( -13.757 -0.000 -1.606) 13.850 3.732 ( -8.770 -0.000 1.837) 8.960 3.768 ( -7.423 -0.000 -0.052) 7.423 3.869 ( -6.318 -0.000 2.739) 6.886 3.881 ( -6.966 -0.000 0.401) 6.977 4.051 ( -4.169 -0.000 3.056) 5.169 4.159 ( -12.121 -0.000 -2.229) 12.325 4.222 ( -0.097 -0.000 -4.938) 4.939 4.307 ( -1.796 -0.000 -1.001) 2.056 4.669 ( 3.844 0.000 -3.698) 5.334 4.748 ( -1.792 -0.000 2.239) 2.868 4.802 ( -2.568 -0.000 -1.005) 2.758 4.952 ( 2.252 0.000 3.421) 4.096 5.012 ( 0.453 0.000 -1.418) 1.489 5.021 ( 0.593 0.000 1.558) 1.667 5.092 ( 1.517 0.000 -0.653) 1.652 5.186 ( -1.144 -0.000 -8.625) 8.700 5.302 ( -2.008 -0.000 3.088) 3.684 5.662 ( 1.737 0.000 -2.924) 3.401 5.882 ( 11.113 0.000 -9.221) 14.441 6.027 ( 7.261 0.000 2.895) 7.817 6.077 ( 8.371 0.000 6.896) 10.846 6.354 ( 2.936 0.000 13.272) 13.593 6.780 ( 4.679 0.000 -2.842) 5.475 6.809 ( 16.587 0.000 -1.252) 16.634 7.825 ( 3.808 0.000 2.358) 4.479 7.872 ( 5.453 0.000 3.424) 6.439 8.297 ( 3.727 0.000 -7.775) 8.623 8.605 ( 3.241 0.000 -10.250) 10.750 8.689 ( -19.747 -0.000 10.627) 22.425 8.777 ( -10.196 -0.000 1.011) 10.246 8.997 ( 9.464 0.000 -2.167) 9.709 9.383 ( -3.814 -0.000 0.468) 3.843 9.975 ( -6.211 -0.000 2.943) 6.873 10.045 ( -4.919 -0.000 3.780) 6.204 10.413 ( 0.750 0.000 4.422) 4.485 10.521 ( 8.608 0.000 -0.744) 8.641 10.723 ( 9.857 0.000 -12.566) 15.971 10.814 ( 12.889 0.000 10.611) 16.695 11.171 ( -5.569 -0.000 -8.752) 10.374 11.586 ( 3.315 0.000 5.045) 6.037 11.608 ( -0.454 -0.000 -5.827) 5.844 11.926 ( 7.701 0.000 2.282) 8.031 14.898 ( 0.009 0.000 -0.989) 0.990 15.013 ( 2.220 0.000 1.008) 2.438 20.359 ( -0.758 -0.000 5.910) 5.958 20.469 ( 2.231 0.000 -2.815) 3.592 20.776 ( 5.709 0.000 -5.405) 7.861 21.170 ( -4.009 -0.000 4.205) 5.810 21.453 ( -1.261 -0.000 27.676) 27.705 21.636 ( -2.121 -0.000 -11.942) 12.129 23.126 ( -16.912 -0.000 6.306) 18.050 23.509 ( -19.075 -0.000 -19.435) 27.232 25.044 ( 16.227 0.000 -4.915) 16.955 25.214 ( 15.063 0.000 2.047) 15.201 28.286 ( -0.894 -0.000 3.650) 3.758 28.459 ( -1.496 -0.000 -9.170) 9.292 ======================= Grid point 11 (7/95) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 6.316 -5.828 -11.023) 13.977 1.370 ( 19.489 -7.468 4.459) 21.342 1.635 ( 6.383 9.617 -6.511) 13.252 1.952 ( 5.922 -10.109 3.088) 12.116 2.061 ( 3.468 -4.844 -6.486) 8.806 2.311 ( -3.233 -0.232 11.041) 11.507 2.493 ( 11.550 1.007 13.421) 17.735 2.587 ( 6.914 3.724 -10.780) 13.337 2.707 ( -4.749 -1.362 -3.034) 5.797 2.892 ( -0.856 -1.004 -6.129) 6.269 2.987 ( 0.207 -2.997 -4.368) 5.301 3.022 ( -1.429 5.011 4.202) 6.694 3.136 ( 2.721 -0.324 -1.902) 3.335 3.163 ( 1.260 -3.193 5.668) 6.626 3.319 ( -3.772 0.472 3.551) 5.202 3.437 ( 0.138 -3.049 3.027) 4.298 3.574 ( -6.354 3.047 2.111) 7.356 3.653 ( -3.392 -4.256 1.262) 5.587 3.678 ( -9.776 1.990 -3.381) 10.534 3.852 ( -0.007 -0.818 -0.912) 1.225 3.922 ( -8.788 1.588 -0.235) 8.933 4.017 ( -0.913 1.540 4.537) 4.877 4.195 ( -3.348 -0.032 -1.346) 3.609 4.301 ( 2.653 3.387 -2.067) 4.774 4.645 ( -1.757 9.471 -1.830) 9.805 4.731 ( 2.200 1.609 -3.458) 4.403 4.798 ( -0.710 -3.910 -3.022) 4.992 4.942 ( 2.902 1.270 -0.578) 3.219 5.006 ( 0.141 4.613 2.856) 5.427 5.083 ( 1.435 -3.005 0.589) 3.382 5.146 ( -3.255 -1.296 0.798) 3.593 5.178 ( 2.819 -6.785 -0.478) 7.363 5.282 ( -0.569 -0.414 0.064) 0.707 5.635 ( -2.893 0.631 0.069) 2.962 6.024 ( 4.851 -0.469 -7.382) 8.845 6.121 ( -0.442 -1.295 3.872) 4.107 6.187 ( 5.316 4.456 -0.625) 6.965 6.371 ( -1.486 -0.385 6.365) 6.548 6.965 ( 15.877 1.633 -5.201) 16.787 7.154 ( 17.899 -0.754 1.707) 17.996 7.887 ( -3.954 0.796 4.129) 5.772 7.957 ( 9.472 0.354 3.421) 10.077 8.308 ( 0.923 0.674 -7.220) 7.310 8.348 ( -14.721 1.192 0.564) 14.780 8.576 ( -2.297 5.205 3.002) 6.433 8.701 ( -0.647 -2.452 0.787) 2.655 9.143 ( -15.828 -0.190 -1.235) 15.877 9.256 ( 7.590 -4.630 -1.981) 9.109 9.925 ( -1.114 0.165 1.597) 1.954 9.971 ( -2.576 -1.923 0.907) 3.340 10.405 ( -0.703 -0.659 2.148) 2.354 10.625 ( 7.450 9.683 -3.173) 12.623 10.867 ( 9.033 5.222 -1.344) 10.520 11.002 ( -2.082 -4.892 -2.291) 5.789 11.139 ( 6.353 -2.622 5.510) 8.809 11.606 ( 0.467 0.383 -6.198) 6.227 11.619 ( 0.133 -0.154 3.367) 3.373 12.053 ( 5.405 0.494 -0.026) 5.427 14.906 ( 0.726 -0.302 -0.068) 0.789 15.060 ( 1.443 -1.500 0.188) 2.090 20.354 ( 0.287 0.309 6.007) 6.022 20.496 ( 0.713 0.120 -5.434) 5.482 20.907 ( 7.807 -1.518 -6.712) 10.407 21.120 ( -3.062 -2.667 3.829) 5.581 21.420 ( -0.691 5.043 12.887) 13.856 21.694 ( 2.936 -9.577 -3.579) 10.637 22.813 ( -15.212 1.994 7.859) 17.238 23.148 ( -15.781 3.783 -13.953) 21.402 25.294 ( 10.736 -0.109 -3.119) 11.181 25.439 ( 8.944 0.838 2.259) 9.263 28.273 ( -0.608 0.135 1.895) 1.995 28.407 ( -2.208 1.680 -2.894) 4.009 ======================= Grid point 12 (8/95) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 7.814 -4.658 -8.282) 12.302 1.714 ( 9.162 3.159 3.236) 10.217 1.751 ( 9.796 -6.110 -7.933) 14.008 2.032 ( -1.083 3.283 7.664) 8.407 2.101 ( 0.756 0.961 -2.934) 3.178 2.321 ( 2.115 -8.960 3.559) 9.870 2.489 ( -3.338 2.566 -1.627) 4.514 2.642 ( -1.138 2.507 4.375) 5.170 2.672 ( -1.037 1.176 -2.527) 2.974 2.796 ( -5.887 1.204 -4.781) 7.679 3.036 ( 1.167 -0.843 0.864) 1.679 3.081 ( 3.674 -5.875 4.140) 8.072 3.173 ( 0.816 0.114 5.879) 5.936 3.201 ( 4.297 -2.147 -7.284) 8.726 3.306 ( 1.012 -2.977 0.134) 3.147 3.400 ( -3.195 0.823 0.068) 3.300 3.523 ( -2.213 -0.744 0.478) 2.383 3.618 ( 3.703 0.294 2.098) 4.266 3.672 ( -2.288 0.445 -1.824) 2.960 3.800 ( -3.153 -1.230 1.182) 3.585 3.867 ( 1.771 0.706 -1.097) 2.200 3.982 ( -1.600 -1.000 5.861) 6.157 4.114 ( -3.833 0.264 1.740) 4.217 4.344 ( 5.791 4.091 -3.165) 7.765 4.516 ( -1.298 9.239 -1.470) 9.445 4.702 ( -2.180 7.176 -1.092) 7.579 4.832 ( 2.352 -1.684 -2.921) 4.111 4.941 ( -1.581 3.801 1.829) 4.505 5.043 ( 2.881 0.287 -2.115) 3.586 5.088 ( -1.937 -5.779 1.710) 6.330 5.140 ( 1.076 -3.505 0.869) 3.768 5.277 ( -0.392 -0.384 -2.018) 2.091 5.315 ( 4.917 -4.537 1.816) 6.932 5.563 ( -4.665 0.134 -1.249) 4.832 6.043 ( -6.093 -0.214 1.710) 6.332 6.078 ( 1.159 -1.043 -5.691) 5.901 6.224 ( 2.398 2.914 -0.409) 3.796 6.298 ( -6.125 0.928 3.971) 7.359 7.296 ( 19.979 0.807 -4.042) 20.400 7.404 ( 6.286 -1.369 4.337) 7.759 7.697 ( -14.041 1.081 2.382) 14.283 8.109 ( -9.553 -0.586 -5.477) 11.027 8.171 ( 11.127 5.068 2.460) 12.472 8.373 ( 4.432 -2.756 -2.837) 5.940 8.528 ( 2.622 0.347 2.469) 3.619 8.661 ( -7.975 3.035 0.552) 8.551 8.794 ( -13.959 -3.244 1.281) 14.388 9.453 ( 8.014 -0.480 1.861) 8.242 9.859 ( -3.227 1.863 -1.556) 4.038 10.006 ( -0.713 -6.737 7.133) 9.837 10.406 ( -0.192 1.301 -12.428) 12.498 10.611 ( 2.751 8.336 -1.696) 8.940 10.919 ( 1.908 7.076 2.000) 7.597 10.999 ( -0.974 -6.484 -0.066) 6.557 11.307 ( 4.691 -3.750 9.834) 11.522 11.599 ( -0.395 0.485 -0.842) 1.049 11.610 ( -1.157 0.157 -2.461) 2.724 12.100 ( -0.150 -0.141 -2.637) 2.645 14.929 ( 1.551 0.157 1.322) 2.044 15.089 ( 0.238 -1.340 -0.949) 1.659 20.378 ( 1.657 -0.166 6.173) 6.394 20.482 ( -1.025 0.627 -6.808) 6.913 21.060 ( 7.105 -0.624 -6.567) 9.695 21.111 ( -1.275 -2.728 3.548) 4.654 21.382 ( 2.038 5.627 6.159) 8.588 21.888 ( 7.037 -9.628 0.008) 11.926 22.571 ( -8.909 0.931 7.219) 11.504 22.842 ( -10.901 5.175 -9.720) 15.495 25.430 ( 3.703 -0.249 -2.514) 4.483 25.530 ( 1.592 0.596 2.257) 2.826 28.263 ( -0.499 0.051 -0.047) 0.504 28.349 ( -2.313 0.912 0.079) 2.488 ======================= Grid point 13 (9/95) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 8.518 2.680 1.109) 8.998 1.775 ( -1.615 6.615 -0.208) 6.812 1.877 ( 4.055 -5.084 -0.905) 6.565 1.969 ( 5.910 4.854 -2.197) 7.957 2.239 ( 1.609 -0.029 -0.589) 1.714 2.317 ( -4.139 1.120 -5.202) 6.741 2.468 ( -2.977 2.243 3.276) 4.963 2.505 ( 2.364 0.956 1.686) 3.056 2.745 ( 4.899 -9.315 -0.965) 10.569 2.769 ( 0.387 -2.235 0.023) 2.268 2.995 ( -0.712 5.361 1.698) 5.669 3.151 ( -0.044 -1.551 0.974) 1.832 3.202 ( -0.737 -1.959 0.798) 2.240 3.342 ( 6.269 -4.686 1.406) 7.952 3.373 ( -0.666 -3.886 -4.505) 5.986 3.425 ( 2.620 1.442 -5.449) 6.216 3.467 ( -1.098 4.545 4.044) 6.182 3.628 ( 2.703 1.436 1.340) 3.341 3.636 ( -1.213 -0.262 1.708) 2.111 3.749 ( -4.062 3.908 5.316) 7.748 3.797 ( -1.050 1.843 -0.351) 2.150 4.027 ( -2.537 -4.271 -1.312) 5.138 4.175 ( 5.630 -11.181 0.220) 12.520 4.368 ( -0.955 6.362 -1.313) 6.566 4.424 ( 2.571 8.702 -0.369) 9.082 4.546 ( -2.808 10.446 -1.183) 10.881 4.854 ( 0.952 3.254 0.932) 3.516 4.909 ( -0.703 -2.472 -0.216) 2.579 5.031 ( -3.512 -0.503 1.774) 3.967 5.105 ( -2.219 -5.874 1.885) 6.556 5.220 ( 1.357 -0.444 -0.555) 1.532 5.288 ( 2.060 -0.583 -4.258) 4.766 5.429 ( -0.982 -0.539 1.667) 2.009 5.451 ( -3.299 -3.125 -0.044) 4.544 5.978 ( -2.658 -2.390 2.412) 4.313 6.102 ( -1.302 -2.417 -1.218) 3.003 6.152 ( -3.036 0.144 -0.719) 3.124 6.246 ( -0.747 -0.320 -2.615) 2.738 7.298 ( -19.787 1.946 2.610) 20.053 7.448 ( -6.023 0.146 -0.842) 6.083 7.681 ( 16.968 0.365 -3.398) 17.309 7.909 ( -15.359 -5.061 -2.530) 16.368 8.211 ( 0.143 2.516 1.866) 3.136 8.411 ( -3.474 -4.130 3.171) 6.259 8.453 ( -2.254 0.124 7.806) 8.126 8.639 ( -3.223 1.103 -3.598) 4.955 8.879 ( 22.640 1.019 -5.439) 23.306 9.518 ( -0.336 3.277 1.271) 3.531 9.806 ( -0.800 -0.108 1.506) 1.708 10.085 ( -0.956 -9.749 8.903) 13.237 10.318 ( -1.910 6.602 -11.959) 13.793 10.605 ( 0.104 0.771 -3.985) 4.060 10.819 ( -4.902 6.304 2.633) 8.409 11.053 ( 0.247 -3.616 0.477) 3.655 11.385 ( -0.597 -2.749 6.437) 7.025 11.556 ( -3.740 1.429 1.011) 4.129 11.589 ( -1.015 -1.329 -1.804) 2.460 12.054 ( -5.453 -2.445 -3.621) 6.988 14.954 ( 1.610 1.425 1.660) 2.716 15.099 ( -0.209 -1.246 -1.122) 1.689 20.405 ( 0.051 1.073 -1.530) 1.869 20.460 ( 0.542 -0.253 1.396) 1.519 21.115 ( -0.284 -0.125 3.815) 3.827 21.147 ( 2.699 1.659 -4.173) 5.239 21.414 ( 7.161 5.724 1.907) 9.364 22.091 ( 6.228 -2.458 -2.770) 7.246 22.517 ( 1.742 -4.124 4.430) 6.298 22.655 ( -3.277 1.756 -3.247) 4.936 25.429 ( -3.953 -0.360 -2.098) 4.490 25.497 ( -5.221 -0.805 2.050) 5.666 28.256 ( -0.236 -0.257 -1.297) 1.343 28.309 ( -1.946 -0.752 1.513) 2.577 ======================= Grid point 14 (10/95) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 5.672 6.716 0.222) 8.794 1.589 ( -5.583 12.816 -0.649) 13.994 1.898 ( -12.189 10.483 -3.531) 16.460 2.054 ( 6.557 3.416 -4.186) 8.497 2.142 ( 12.814 -2.271 2.434) 13.239 2.342 ( -5.169 -1.775 6.667) 8.621 2.499 ( 1.856 2.523 0.305) 3.147 2.591 ( 6.906 -6.193 2.720) 9.667 2.762 ( -3.716 -2.922 -2.461) 5.329 2.920 ( 2.708 9.429 -3.589) 10.446 2.963 ( 0.660 -3.427 0.475) 3.522 3.099 ( -5.501 2.255 -0.678) 5.984 3.184 ( -1.136 -2.140 -2.272) 3.321 3.303 ( -4.536 5.711 4.672) 8.661 3.316 ( -6.520 2.830 0.343) 7.116 3.475 ( 6.680 -3.566 -0.184) 7.575 3.544 ( 3.034 -0.848 1.638) 3.550 3.602 ( 4.181 -2.002 -1.169) 4.781 3.670 ( 5.064 0.955 0.635) 5.192 3.781 ( 5.858 -1.595 -1.570) 6.271 3.850 ( 3.936 -1.087 0.582) 4.125 4.022 ( -1.931 -4.240 -3.440) 5.792 4.199 ( -4.152 9.314 3.299) 10.718 4.342 ( -0.966 0.490 -4.248) 4.384 4.426 ( 4.789 -1.489 -0.690) 5.063 4.474 ( 2.860 2.119 3.019) 4.667 4.835 ( -0.726 1.448 2.432) 2.922 4.931 ( -1.690 1.046 -0.024) 1.987 4.953 ( -0.571 -2.127 1.216) 2.516 5.131 ( -2.638 -3.510 -0.694) 4.446 5.224 ( -0.288 -2.788 1.641) 3.248 5.266 ( -3.671 2.648 -1.917) 4.916 5.347 ( -0.770 0.772 0.121) 1.097 5.522 ( 0.670 -5.080 0.737) 5.177 5.915 ( -8.311 -5.183 6.637) 11.831 6.094 ( -1.447 -0.289 0.275) 1.501 6.166 ( -0.270 -1.161 -4.539) 4.693 6.250 ( 0.511 -4.948 -8.802) 10.111 6.872 ( -23.240 -0.398 5.970) 23.998 7.169 ( -21.904 -1.137 0.352) 21.936 7.756 ( -5.484 -4.897 -6.524) 9.830 7.939 ( 8.722 -0.360 -2.233) 9.010 8.186 ( -2.511 -1.930 0.130) 3.169 8.395 ( 0.909 1.706 4.168) 4.594 8.467 ( -2.438 -0.023 0.984) 2.629 8.628 ( 6.068 -4.574 4.778) 8.976 9.289 ( 19.547 4.042 -3.274) 20.227 9.412 ( -4.113 3.082 -1.944) 5.495 9.849 ( 4.439 -1.616 1.634) 4.998 10.061 ( -11.222 -7.170 7.174) 15.126 10.297 ( 3.476 4.418 -4.574) 7.247 10.519 ( -4.910 4.939 -0.919) 7.025 10.681 ( -6.309 -1.655 -4.786) 8.090 11.067 ( -1.810 -1.763 0.423) 2.562 11.324 ( -6.232 3.473 -0.233) 7.138 11.485 ( -4.377 -4.527 10.415) 12.171 11.582 ( -1.301 -1.479 -4.980) 5.356 11.954 ( -8.630 -4.842 -3.097) 10.369 14.957 ( 0.450 2.037 0.276) 2.104 15.114 ( 1.194 -0.115 0.329) 1.244 20.367 ( -1.406 1.226 -5.586) 5.889 20.497 ( 2.073 0.512 6.578) 6.916 21.063 ( -2.632 5.408 1.413) 6.178 21.174 ( 1.917 0.359 -1.101) 2.240 21.514 ( 10.240 7.812 1.508) 12.968 22.127 ( 2.467 7.950 -8.924) 12.203 22.649 ( 7.395 -4.398 -2.120) 8.861 22.791 ( 10.780 -11.584 7.829) 17.655 25.289 ( -11.282 -0.532 -1.543) 11.400 25.366 ( -10.420 -2.222 1.739) 10.795 28.259 ( 0.261 -0.549 -2.217) 2.298 28.292 ( -2.039 -2.640 2.710) 4.298 ======================= Grid point 15 (11/95) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -12.357 12.473 -15.395) 23.351 1.296 ( -9.918 16.117 -0.749) 18.939 1.747 ( 7.229 15.059 10.842) 19.915 2.017 ( -8.198 1.762 -0.095) 8.386 2.222 ( -6.270 0.665 0.986) 6.381 2.352 ( 3.298 9.795 7.557) 12.803 2.533 ( -7.672 17.533 -0.074) 19.138 2.537 ( 0.019 2.634 -2.734) 3.796 2.677 ( -1.247 -2.466 2.089) 3.465 2.839 ( -2.381 -3.612 -6.493) 7.802 2.911 ( 2.667 -0.511 7.292) 7.781 3.041 ( -0.484 -1.346 -2.130) 2.566 3.110 ( -2.716 -0.113 -4.082) 4.904 3.202 ( -1.845 5.410 1.986) 6.051 3.462 ( 9.559 -7.451 -1.540) 12.217 3.601 ( 10.519 4.473 0.543) 11.444 3.688 ( 2.721 -1.823 2.031) 3.854 3.715 ( 5.695 -7.593 -1.587) 9.623 3.807 ( 6.020 -2.571 -4.140) 7.745 3.885 ( 6.807 2.784 0.891) 7.408 3.901 ( 2.615 1.510 -0.943) 3.164 4.039 ( 0.811 -2.378 -3.104) 3.994 4.122 ( 1.413 1.134 5.810) 6.086 4.285 ( -0.807 1.044 -1.601) 2.075 4.494 ( 1.668 -1.552 -0.754) 2.400 4.596 ( 4.734 -6.128 3.070) 8.330 4.846 ( 1.959 -0.088 1.170) 2.284 4.867 ( -2.380 -0.595 -3.082) 3.939 4.985 ( 1.085 0.959 0.860) 1.684 5.089 ( -3.027 -2.009 1.537) 3.945 5.192 ( -2.364 0.046 0.655) 2.453 5.270 ( 1.295 -2.545 0.859) 2.982 5.335 ( 0.316 1.334 0.450) 1.443 5.562 ( -1.866 -4.028 0.895) 4.528 5.814 ( -9.103 -6.044 4.375) 11.770 5.950 ( -12.460 0.679 1.367) 12.553 6.117 ( -7.518 -0.502 -2.691) 8.001 6.289 ( -3.882 -1.977 -12.048) 12.811 6.573 ( -9.678 -8.531 4.577) 13.689 6.822 ( -13.259 -1.450 -1.675) 13.443 7.728 ( -2.419 -3.609 -3.827) 5.789 7.952 ( -7.780 -2.219 9.917) 12.798 8.129 ( -6.915 -2.226 -9.235) 11.750 8.403 ( 3.502 -2.328 5.545) 6.960 8.551 ( 8.727 -2.128 -4.383) 9.995 8.859 ( 11.798 -2.830 8.348) 14.727 9.209 ( -5.938 5.799 -0.991) 8.359 9.571 ( 7.930 5.678 -3.393) 10.327 9.918 ( -13.647 -10.618 6.897) 18.615 9.981 ( 5.717 -1.903 1.404) 6.187 10.169 ( -4.824 7.498 -2.020) 9.142 10.486 ( 2.776 2.011 -6.036) 6.941 10.572 ( -7.136 -2.243 -5.890) 9.521 10.957 ( -10.981 4.529 1.905) 12.031 11.200 ( -1.515 0.169 2.814) 3.201 11.495 ( -2.945 -7.845 6.339) 10.507 11.554 ( -2.475 -1.984 -4.071) 5.161 11.838 ( -8.534 -5.214 -2.366) 10.277 14.939 ( -0.274 1.476 -0.425) 1.560 15.148 ( 3.593 2.232 1.190) 4.394 20.334 ( -0.791 0.444 -4.018) 4.119 20.522 ( 1.437 2.301 5.557) 6.184 20.934 ( -4.009 7.168 -0.176) 8.214 21.201 ( 1.448 0.870 -0.147) 1.696 21.640 ( 12.114 8.832 1.885) 15.110 22.082 ( 5.650 12.079 -11.347) 17.509 22.903 ( 11.842 -9.214 -3.587) 15.427 23.165 ( 13.719 -13.681 10.505) 22.040 25.028 ( -16.929 -0.658 -0.662) 16.955 25.165 ( -13.296 -1.980 1.454) 13.521 28.270 ( -0.760 -1.947 -0.958) 2.300 28.281 ( -2.286 -3.036 2.636) 4.625 ======================= Grid point 16 (12/95) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -15.069 16.996 -10.752) 25.131 0.893 ( -13.264 20.181 -1.981) 24.231 1.509 ( -10.337 29.658 3.266) 31.577 1.682 ( -22.191 9.210 2.406) 24.147 2.108 ( -4.298 1.957 -2.669) 5.424 2.181 ( 6.747 11.869 4.757) 14.457 2.333 ( -0.427 15.352 5.319) 16.253 2.537 ( 5.374 6.205 -2.461) 8.570 2.820 ( 3.969 -2.155 -3.951) 6.001 2.842 ( 2.033 -6.167 0.682) 6.529 3.000 ( 0.837 -1.409 -1.298) 2.090 3.050 ( -0.151 -1.602 6.054) 6.264 3.100 ( -1.498 0.196 -2.563) 2.976 3.166 ( 1.638 -1.212 0.380) 2.073 3.509 ( -1.532 12.932 -2.457) 13.252 3.685 ( 3.936 -0.067 0.811) 4.019 3.831 ( 6.475 -3.487 1.250) 7.459 3.906 ( 1.307 -12.957 0.637) 13.038 3.928 ( 3.364 -4.886 -4.652) 7.538 3.957 ( 5.065 -4.459 1.615) 6.939 3.996 ( 8.225 2.489 -0.798) 8.630 4.112 ( 3.515 -1.599 1.036) 3.998 4.215 ( 6.213 -1.232 0.073) 6.334 4.279 ( -1.052 -2.919 0.825) 3.211 4.509 ( -2.762 -2.279 -0.737) 3.656 4.754 ( 4.493 -6.977 0.483) 8.312 4.849 ( 1.471 -1.808 -2.322) 3.290 4.911 ( 2.266 0.645 -1.649) 2.876 4.994 ( 3.376 2.025 4.781) 6.193 5.063 ( -1.796 -0.942 -0.013) 2.028 5.175 ( 0.703 0.200 1.242) 1.441 5.306 ( 0.487 0.257 4.845) 4.877 5.344 ( 1.749 -0.150 -2.852) 3.349 5.502 ( -9.129 -3.104 3.824) 10.373 5.669 ( -11.276 0.600 5.452) 12.539 5.734 ( -9.983 -5.526 -4.697) 12.339 5.937 ( -8.100 0.994 0.217) 8.164 6.180 ( -6.057 -4.139 -9.635) 12.110 6.535 ( -5.219 -3.371 0.165) 6.215 6.794 ( 5.390 -3.894 -8.584) 10.858 7.732 ( -0.694 -3.248 0.004) 3.321 7.811 ( -11.472 -7.628 19.307) 23.718 8.027 ( -0.784 0.683 -10.633) 10.684 8.508 ( 1.396 -1.181 7.866) 8.076 8.750 ( 6.048 -9.513 -9.157) 14.524 9.057 ( 6.066 2.642 8.679) 10.913 9.144 ( 6.797 2.405 -6.520) 9.721 9.487 ( -6.158 8.239 -1.532) 10.399 9.677 ( -25.665 -11.651 2.931) 28.338 9.983 ( -2.758 2.094 1.085) 3.629 10.206 ( 7.284 0.493 -2.700) 7.784 10.451 ( -7.567 2.282 0.516) 7.920 10.505 ( 3.203 3.796 -3.709) 6.199 10.671 ( -9.540 5.965 -0.674) 11.272 11.224 ( 0.563 -3.135 3.016) 4.387 11.457 ( -4.902 -2.704 -3.500) 6.602 11.617 ( 2.199 -8.538 3.494) 9.484 11.751 ( -5.270 -3.892 -1.778) 6.788 14.922 ( -0.083 0.974 -0.023) 0.978 15.213 ( 6.802 3.572 0.945) 7.741 20.322 ( -0.330 -0.503 -2.331) 2.408 20.511 ( 0.431 4.043 2.899) 4.994 20.796 ( -2.911 6.453 -0.112) 7.080 21.206 ( 0.085 0.952 -0.466) 1.063 21.776 ( 9.630 7.250 3.203) 12.472 22.133 ( 17.225 13.839 -18.092) 28.558 23.221 ( 11.085 -10.531 -4.036) 15.813 23.539 ( 7.645 -15.911 15.437) 23.450 24.692 ( -18.295 0.622 1.065) 18.336 24.934 ( -11.582 0.188 0.915) 11.619 28.223 ( -8.122 -5.280 7.000) 11.952 28.294 ( 0.868 -0.430 -2.477) 2.660 ======================= Grid point 17 (13/95) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( 0.000 21.284 0.000) 21.284 0.511 ( 0.000 25.465 0.000) 25.465 0.974 ( 0.000 47.430 0.000) 47.430 1.353 ( 0.000 4.767 0.000) 4.767 2.062 ( 0.000 1.944 0.000) 1.944 2.160 ( 0.000 14.483 0.000) 14.483 2.189 ( 0.000 6.745 0.000) 6.745 2.575 ( 0.000 4.369 0.000) 4.369 2.861 ( -0.000 -5.817 -0.000) 5.817 2.983 ( 0.000 3.632 0.000) 3.632 2.994 ( -0.000 -3.632 -0.000) 3.632 2.995 ( 0.000 1.189 0.000) 1.189 3.072 ( -0.000 -2.790 -0.000) 2.790 3.208 ( -0.000 -1.508 -0.000) 1.508 3.353 ( 0.000 11.751 0.000) 11.751 3.721 ( -0.000 -0.930 -0.000) 0.930 3.924 ( -0.000 -2.093 -0.000) 2.093 3.978 ( -0.000 -2.261 -0.000) 2.261 4.048 ( -0.000 -0.396 -0.000) 0.396 4.094 ( -0.000 -9.407 -0.000) 9.407 4.105 ( -0.000 -3.253 -0.000) 3.253 4.182 ( -0.000 -6.558 -0.000) 6.558 4.208 ( 0.000 0.531 0.000) 0.531 4.364 ( -0.000 -3.615 -0.000) 3.615 4.475 ( -0.000 -3.225 -0.000) 3.225 4.827 ( -0.000 -0.622 -0.000) 0.622 4.921 ( -0.000 -4.425 -0.000) 4.425 4.940 ( 0.000 0.634 0.000) 0.634 4.993 ( -0.000 -1.817 -0.000) 1.817 5.154 ( 0.000 5.413 0.000) 5.413 5.217 ( 0.000 0.507 0.000) 0.507 5.291 ( -0.000 -4.074 -0.000) 4.074 5.350 ( -0.000 -0.163 -0.000) 0.163 5.396 ( -0.000 -3.971 -0.000) 3.971 5.479 ( 0.000 3.633 0.000) 3.633 5.650 ( 0.000 0.424 0.000) 0.424 5.866 ( -0.000 -1.170 -0.000) 1.170 6.166 ( -0.000 -3.231 -0.000) 3.231 6.499 ( -0.000 -0.761 -0.000) 0.761 6.908 ( -0.000 -4.335 -0.000) 4.335 7.737 ( -0.000 -3.925 -0.000) 3.925 7.805 ( -0.000 -9.747 -0.000) 9.747 8.154 ( -0.000 -4.868 -0.000) 4.868 8.489 ( 0.000 1.935 0.000) 1.935 8.802 ( -0.000 -6.094 -0.000) 6.094 9.146 ( 0.000 0.958 0.000) 0.958 9.222 ( 0.000 5.219 0.000) 5.219 9.254 ( 0.000 6.383 0.000) 6.383 9.387 ( -0.000 -1.077 -0.000) 1.077 9.928 ( 0.000 1.189 0.000) 1.189 10.186 ( 0.000 13.100 0.000) 13.100 10.347 ( -0.000 -1.968 -0.000) 1.968 10.506 ( 0.000 4.266 0.000) 4.266 10.569 ( 0.000 0.050 0.000) 0.050 11.262 ( -0.000 -2.773 -0.000) 2.773 11.427 ( -0.000 -1.817 -0.000) 1.817 11.727 ( -0.000 -2.337 -0.000) 2.337 11.747 ( -0.000 -8.614 -0.000) 8.614 14.914 ( 0.000 0.836 0.000) 0.836 15.308 ( -0.000 -0.653 -0.000) 0.653 20.325 ( -0.000 -1.066 -0.000) 1.066 20.469 ( 0.000 4.465 0.000) 4.465 20.714 ( 0.000 4.241 0.000) 4.241 21.192 ( 0.000 0.844 0.000) 0.844 21.808 ( 0.000 4.971 0.000) 4.971 22.393 ( 0.000 0.187 0.000) 0.187 23.457 ( -0.000 -8.021 -0.000) 8.021 23.683 ( -0.000 -11.243 -0.000) 11.243 24.449 ( 0.000 3.717 0.000) 3.717 24.798 ( 0.000 1.817 0.000) 1.817 28.115 ( 0.000 0.042 0.000) 0.042 28.306 ( -0.000 -0.292 -0.000) 0.292 ======================= Grid point 20 (14/95) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 10.963 0.000 -12.931) 16.953 1.629 ( 11.851 0.000 -1.177) 11.910 1.863 ( 7.726 0.000 -1.337) 7.841 2.009 ( 2.880 0.000 0.401) 2.908 2.118 ( 8.963 0.000 -0.760) 8.995 2.226 ( -2.290 -0.000 6.755) 7.133 2.504 ( -9.242 -0.000 -3.144) 9.762 2.646 ( 0.400 0.000 0.484) 0.628 2.712 ( -0.093 -0.000 3.734) 3.736 2.825 ( -3.291 -0.000 -5.375) 6.303 2.989 ( 1.270 0.000 -1.845) 2.239 3.075 ( 3.375 0.000 10.447) 10.978 3.131 ( 0.338 0.000 3.377) 3.394 3.209 ( 6.627 0.000 -7.660) 10.129 3.249 ( -6.241 -0.000 4.178) 7.510 3.467 ( 3.554 0.000 4.989) 6.125 3.472 ( -6.789 -0.000 -5.251) 8.583 3.630 ( 1.278 0.000 2.506) 2.812 3.637 ( 5.754 0.000 -5.877) 8.225 3.775 ( -6.538 -0.000 1.617) 6.735 3.871 ( 1.072 0.000 0.458) 1.166 4.007 ( -2.163 -0.000 6.732) 7.071 4.120 ( -4.948 -0.000 2.338) 5.473 4.402 ( 6.652 0.000 -5.128) 8.399 4.680 ( -2.908 -0.000 -2.860) 4.079 4.733 ( 0.597 0.000 -3.242) 3.296 4.779 ( 1.065 0.000 -0.797) 1.330 4.984 ( -3.132 -0.000 4.225) 5.259 5.045 ( -5.838 -0.000 4.658) 7.469 5.052 ( 8.006 0.000 -6.157) 10.100 5.113 ( -1.276 -0.000 1.656) 2.091 5.234 ( 7.709 0.000 -0.037) 7.709 5.275 ( -0.057 -0.000 -1.161) 1.163 5.557 ( -5.354 -0.000 -0.934) 5.434 6.039 ( -6.661 -0.000 1.947) 6.940 6.065 ( 0.447 0.000 -6.123) 6.139 6.262 ( 0.341 0.000 -1.403) 1.444 6.303 ( -5.639 -0.000 4.471) 7.197 7.306 ( 19.401 0.000 -4.305) 19.873 7.389 ( 7.035 0.000 5.212) 8.755 7.711 ( -13.374 -0.000 2.124) 13.542 8.094 ( -9.706 -0.000 -6.441) 11.649 8.253 ( 12.707 0.000 5.149) 13.711 8.324 ( -0.199 -0.000 -4.313) 4.318 8.530 ( 0.104 0.000 4.111) 4.112 8.726 ( -0.442 -0.000 1.174) 1.255 8.728 ( -19.392 -0.000 -1.266) 19.433 9.448 ( 10.994 0.000 1.918) 11.160 9.884 ( -4.974 -0.000 0.326) 4.985 9.929 ( -0.608 -0.000 3.788) 3.837 10.408 ( 1.419 0.000 -9.698) 9.802 10.816 ( 6.221 0.000 0.920) 6.289 10.822 ( -8.123 -0.000 -2.667) 8.549 11.010 ( 2.298 0.000 -3.908) 4.534 11.260 ( 4.803 0.000 14.723) 15.487 11.595 ( -2.135 -0.000 2.078) 2.979 11.617 ( 0.321 0.000 -4.693) 4.704 12.096 ( -1.086 -0.000 -3.782) 3.935 14.933 ( 2.224 0.000 2.081) 3.046 15.072 ( 0.345 0.000 -1.501) 1.540 20.377 ( 1.688 0.000 6.709) 6.918 20.489 ( -1.058 -0.000 -7.637) 7.710 21.056 ( 8.908 0.000 -7.837) 11.865 21.078 ( -0.331 -0.000 3.972) 3.985 21.472 ( 1.255 0.000 14.742) 14.796 21.758 ( 9.933 0.000 -8.054) 12.788 22.583 ( -10.597 -0.000 8.910) 13.845 22.895 ( -11.917 -0.000 -10.793) 16.078 25.427 ( 3.687 0.000 -3.423) 5.031 25.536 ( 0.903 0.000 3.094) 3.223 28.263 ( -0.643 -0.000 -0.283) 0.703 28.359 ( -3.268 -0.000 0.344) 3.286 ======================= Grid point 21 (15/95) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 12.904 -0.725 -1.889) 13.061 1.789 ( 3.819 -2.561 2.130) 5.067 1.890 ( 2.014 3.782 0.914) 4.381 2.069 ( 7.065 2.081 -7.034) 10.184 2.245 ( 7.555 4.994 -1.035) 9.115 2.340 ( 4.112 -0.108 -1.332) 4.323 2.466 ( 2.966 -3.701 -0.018) 4.743 2.532 ( -10.682 -1.070 -1.229) 10.806 2.627 ( -3.659 -0.973 1.226) 3.980 2.761 ( -0.755 1.772 -3.205) 3.739 3.000 ( 0.254 -2.085 2.550) 3.304 3.144 ( -1.044 -0.862 2.092) 2.492 3.175 ( 0.588 0.137 1.935) 2.027 3.239 ( 8.028 -4.150 8.556) 12.445 3.334 ( 1.279 0.388 -4.186) 4.394 3.443 ( 5.595 0.645 -7.126) 9.083 3.523 ( 0.618 0.549 2.698) 2.821 3.634 ( -1.184 0.479 -1.338) 1.850 3.656 ( -1.139 0.115 2.510) 2.759 3.732 ( 0.452 -1.708 3.461) 3.886 3.910 ( -1.753 3.237 -1.731) 4.068 3.948 ( -0.175 -1.346 2.626) 2.956 4.047 ( -1.285 -2.170 4.873) 5.487 4.493 ( 2.681 5.154 -6.114) 8.434 4.602 ( 2.294 6.547 -2.537) 7.387 4.701 ( -3.083 5.137 -1.408) 6.154 4.827 ( 1.603 -4.205 -0.258) 4.508 4.923 ( -4.353 -5.787 5.326) 8.989 4.959 ( -2.248 4.179 3.271) 5.763 5.072 ( -1.988 0.476 1.618) 2.607 5.204 ( 5.263 -3.346 -5.478) 8.301 5.258 ( -1.586 0.326 -0.992) 1.899 5.365 ( 3.107 -2.111 1.909) 4.213 5.443 ( -6.789 -0.266 -1.797) 7.027 5.946 ( -2.678 -0.581 -0.142) 2.744 6.026 ( -5.016 -3.538 -2.228) 6.530 6.174 ( -7.274 1.086 2.522) 7.775 6.247 ( -0.896 0.107 -2.584) 2.737 7.351 ( -18.403 2.685 2.723) 18.796 7.435 ( -5.787 -1.279 -1.431) 6.097 7.689 ( 16.841 0.369 -2.746) 17.068 7.835 ( -17.696 -2.177 -3.751) 18.220 8.262 ( -3.528 2.210 0.937) 4.267 8.338 ( -1.667 -2.608 7.338) 7.964 8.445 ( -1.723 -0.622 6.120) 6.388 8.656 ( -6.197 0.446 -4.143) 7.468 8.893 ( 24.573 0.345 -5.841) 25.260 9.590 ( 2.683 3.097 4.871) 6.365 9.812 ( -0.978 0.501 -0.740) 1.325 9.920 ( -3.132 -5.764 5.478) 8.547 10.403 ( -0.343 1.802 -13.490) 13.615 10.670 ( -2.493 5.346 -1.338) 6.049 10.927 ( -1.282 -5.863 5.067) 7.855 10.952 ( -4.566 3.548 -3.021) 6.524 11.331 ( 0.511 -2.038 12.200) 12.379 11.563 ( -1.509 -0.399 -2.597) 3.030 11.589 ( -3.090 0.696 1.187) 3.382 12.011 ( -7.872 -1.393 -6.438) 10.264 14.984 ( 3.294 1.296 3.549) 5.013 15.069 ( -0.903 -1.391 -2.742) 3.204 20.426 ( 2.405 0.881 4.245) 4.958 20.454 ( -1.076 -0.381 -4.903) 5.034 21.105 ( 2.390 -0.330 3.766) 4.473 21.185 ( 4.992 1.273 -5.885) 7.821 21.523 ( 6.925 4.161 6.638) 10.456 22.002 ( 12.710 -4.350 -5.299) 14.441 22.460 ( -3.137 -1.295 8.036) 8.723 22.701 ( -7.056 1.627 -6.816) 9.944 25.422 ( -3.985 -0.224 -3.594) 5.371 25.485 ( -6.521 -0.326 3.418) 7.370 28.252 ( -0.440 -0.118 -1.707) 1.767 28.299 ( -3.236 -0.256 2.028) 3.828 ======================= Grid point 22 (16/95) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 5.945 3.024 3.831) 7.691 1.815 ( 4.474 7.000 0.729) 8.339 2.021 ( 4.714 2.057 -4.423) 6.784 2.115 ( -5.314 4.071 -3.427) 7.521 2.217 ( 11.268 6.416 -4.708) 13.795 2.297 ( -3.303 0.668 6.618) 7.426 2.475 ( 1.941 -3.355 -0.015) 3.876 2.580 ( 3.538 3.613 3.168) 5.967 2.685 ( 0.548 -5.679 -3.401) 6.642 2.803 ( 4.825 -6.984 -1.215) 8.575 3.036 ( 0.238 -0.782 1.856) 2.028 3.104 ( -3.862 -2.234 -1.762) 4.797 3.167 ( -2.061 2.428 -1.740) 3.629 3.341 ( 2.631 -4.795 -3.524) 6.506 3.381 ( -9.474 3.824 -1.134) 10.280 3.448 ( 6.345 -0.810 5.800) 8.635 3.485 ( 1.595 2.448 -4.167) 5.090 3.653 ( 1.019 -0.226 7.195) 7.270 3.725 ( 4.779 2.805 2.938) 6.272 3.787 ( 4.228 4.582 2.219) 6.618 3.822 ( 5.471 -1.174 -0.343) 5.606 3.949 ( -1.568 -2.601 -1.455) 3.368 4.181 ( 5.446 -8.112 -0.507) 9.784 4.376 ( -5.001 7.206 -0.017) 8.771 4.576 ( 2.152 9.961 -2.173) 10.420 4.615 ( 0.786 7.786 -1.143) 7.909 4.852 ( -2.659 -0.352 1.889) 3.281 4.905 ( 0.099 -2.923 1.651) 3.359 4.953 ( -0.772 0.519 -0.259) 0.966 5.033 ( -0.840 -2.713 2.008) 3.478 5.205 ( -3.006 0.061 1.371) 3.304 5.258 ( -4.513 -3.921 -4.951) 7.763 5.350 ( -1.765 0.225 0.337) 1.811 5.418 ( 0.542 -4.432 1.647) 4.759 5.839 ( -9.890 -2.309 5.224) 11.421 6.056 ( -5.830 -2.772 -1.876) 6.723 6.073 ( 3.008 -6.627 -6.346) 9.656 6.215 ( -2.357 0.490 -4.069) 4.728 6.905 ( -24.870 3.300 6.316) 25.871 7.127 ( -24.953 -2.819 -0.413) 25.115 7.676 ( -2.665 -2.849 -9.274) 10.061 7.927 ( 5.007 -0.705 2.113) 5.480 8.173 ( -2.470 0.265 -1.826) 3.083 8.404 ( 3.147 -0.662 3.754) 4.943 8.478 ( -2.761 0.837 1.095) 3.086 8.545 ( 3.238 -3.115 6.560) 7.951 9.341 ( 23.209 1.250 -6.422) 24.114 9.495 ( -6.426 5.183 1.710) 8.431 9.824 ( 0.874 -1.611 4.098) 4.490 9.918 ( -4.956 -5.721 0.439) 7.582 10.396 ( 4.880 4.424 -4.718) 8.102 10.588 ( -3.277 2.641 -5.765) 7.137 10.731 ( -10.764 5.194 2.516) 12.213 10.966 ( -3.901 -8.025 0.386) 8.931 11.336 ( -2.693 -1.268 7.676) 8.233 11.464 ( -7.852 1.824 6.551) 10.388 11.558 ( -0.937 -0.920 -5.578) 5.730 11.851 ( -11.272 -4.843 -5.889) 13.609 14.997 ( -0.366 1.909 -1.602) 2.519 15.099 ( 2.877 -1.195 2.301) 3.873 20.393 ( -1.733 1.175 -6.242) 6.584 20.509 ( 3.924 0.592 7.302) 8.310 21.155 ( 2.261 2.992 2.335) 4.418 21.204 ( 1.596 2.675 -3.009) 4.331 21.657 ( 11.453 5.982 1.881) 13.058 22.220 ( 7.657 1.490 -6.624) 10.233 22.552 ( 7.654 -7.057 4.303) 11.265 22.619 ( 0.207 -2.791 -0.268) 2.812 25.280 ( -11.241 -0.231 -2.878) 11.606 25.325 ( -11.360 -1.751 2.805) 11.831 28.247 ( -1.471 -0.749 -0.135) 1.656 28.254 ( -1.362 -0.999 0.605) 1.794 ======================= Grid point 23 (17/95) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -4.676 10.510 -5.448) 12.728 1.661 ( -8.890 16.742 -5.673) 19.787 1.990 ( 12.972 7.244 8.279) 17.009 2.120 ( -8.574 5.841 5.091) 11.556 2.274 ( -2.219 8.066 -0.355) 8.374 2.379 ( 8.498 -5.190 1.330) 10.046 2.486 ( 2.248 -9.806 -0.998) 10.109 2.643 ( 1.888 1.209 4.960) 5.443 2.660 ( -2.690 1.693 -3.052) 4.406 2.906 ( -3.022 -0.827 -1.392) 3.428 3.026 ( 3.126 2.648 0.431) 4.119 3.065 ( -1.559 5.544 -3.425) 6.701 3.126 ( -7.970 6.427 -2.959) 10.657 3.224 ( 7.872 -8.124 -2.691) 11.628 3.343 ( -2.925 8.475 6.129) 10.860 3.524 ( 5.998 -8.300 -3.716) 10.894 3.594 ( 4.375 -4.614 -0.052) 6.359 3.715 ( 7.096 -1.450 4.880) 8.733 3.812 ( 5.429 3.691 -0.090) 6.565 3.907 ( 3.437 -0.765 0.086) 3.523 3.957 ( 6.257 -1.051 -3.625) 7.307 3.979 ( 6.775 1.467 -1.248) 7.043 4.232 ( -1.577 5.653 5.102) 7.777 4.301 ( 0.302 -0.905 -2.103) 2.310 4.519 ( 0.453 6.039 -1.050) 6.146 4.577 ( 3.726 4.576 0.680) 5.940 4.816 ( -1.261 -1.792 2.663) 3.449 4.857 ( -4.328 -0.562 -2.252) 4.911 4.994 ( 3.197 0.030 1.697) 3.619 5.038 ( -3.599 -2.952 1.449) 4.875 5.163 ( -3.704 -2.932 -1.201) 4.874 5.222 ( 0.860 -1.425 -1.737) 2.406 5.321 ( -2.513 -2.160 3.585) 4.882 5.475 ( -0.495 -4.648 -1.812) 5.014 5.699 ( -8.733 -5.065 4.065) 10.884 5.948 ( -11.671 -2.572 -0.564) 11.965 6.048 ( -10.604 -3.721 -0.878) 11.272 6.257 ( 4.311 -4.368 -13.710) 15.021 6.449 ( -20.453 -1.238 9.888) 22.752 6.775 ( -12.909 -2.980 -3.974) 13.832 7.666 ( -1.708 -2.365 -5.173) 5.939 7.849 ( -13.907 -5.878 13.227) 20.072 8.152 ( -2.473 2.274 -14.026) 14.422 8.365 ( 0.008 -1.374 0.932) 1.661 8.533 ( 6.264 -0.283 1.371) 6.419 8.783 ( 12.748 -3.971 12.782) 18.484 9.316 ( -5.637 5.456 -2.148) 8.134 9.657 ( 9.077 -0.168 -8.543) 12.466 9.760 ( -9.005 -2.068 11.087) 14.432 9.975 ( 8.205 0.196 -2.753) 8.657 10.346 ( -6.870 9.196 1.883) 11.632 10.523 ( 2.183 1.166 -9.839) 10.146 10.542 ( -5.676 0.062 -2.391) 6.160 10.958 ( -4.977 -5.858 1.409) 7.815 11.238 ( -6.747 3.807 3.100) 8.344 11.340 ( -5.921 -5.722 10.482) 13.329 11.521 ( -4.144 -1.441 -6.264) 7.648 11.712 ( -9.004 -6.990 -3.149) 11.825 14.961 ( -1.412 0.742 -2.775) 3.201 15.176 ( 4.648 0.857 3.315) 5.773 20.351 ( -1.110 1.043 -4.203) 4.470 20.571 ( 3.557 2.464 6.709) 7.983 21.087 ( -2.047 7.726 -2.618) 8.411 21.238 ( 3.234 2.604 0.875) 4.243 21.806 ( 11.465 7.658 2.981) 14.107 22.272 ( 5.095 6.984 -9.087) 12.542 22.717 ( 6.948 -8.826 -0.862) 11.265 22.892 ( 12.184 -12.996 5.557) 18.661 25.020 ( -15.928 0.025 -1.585) 16.006 25.121 ( -12.715 -2.437 1.802) 13.071 28.211 ( -3.540 -2.264 3.146) 5.249 28.264 ( 0.814 -0.514 -2.325) 2.517 ======================= Grid point 24 (18/95) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -11.606 15.858 -5.700) 20.461 1.317 ( -7.940 20.769 -2.847) 22.416 1.783 ( -16.877 8.894 -0.378) 19.081 2.083 ( 1.697 13.244 4.997) 14.257 2.133 ( 0.975 6.662 3.831) 7.747 2.499 ( 2.390 13.427 5.913) 14.865 2.606 ( 1.338 7.783 0.759) 7.934 2.671 ( 5.112 4.256 3.861) 7.691 2.682 ( 5.190 -7.870 -3.464) 10.044 2.763 ( -1.981 1.975 -9.497) 9.900 2.963 ( 0.857 0.976 3.885) 4.096 3.030 ( 0.341 0.337 -1.659) 1.727 3.125 ( 3.529 0.952 -3.199) 4.857 3.237 ( -1.736 6.793 3.010) 7.630 3.492 ( 5.065 -16.203 1.383) 17.033 3.708 ( 1.693 -1.079 -1.550) 2.536 3.722 ( 5.533 -5.871 -1.679) 8.240 3.776 ( 1.461 2.870 1.302) 3.474 3.844 ( 0.280 -0.367 2.256) 2.303 3.931 ( 0.871 -0.566 -2.884) 3.065 4.055 ( 5.701 1.277 -3.989) 7.074 4.110 ( 7.527 4.177 1.119) 8.681 4.231 ( 4.565 1.929 3.858) 6.280 4.276 ( 0.118 2.568 -0.686) 2.661 4.499 ( -0.539 0.046 -1.345) 1.449 4.635 ( 3.173 -2.384 0.507) 4.001 4.796 ( -2.731 -3.438 -1.452) 4.625 4.858 ( -0.227 -5.864 0.344) 5.879 4.976 ( -3.474 -1.721 3.951) 5.535 5.058 ( 3.176 -0.039 -1.539) 3.529 5.149 ( 0.344 -2.693 -0.206) 2.723 5.284 ( 1.833 -1.354 0.715) 2.389 5.303 ( -2.196 -3.743 2.109) 4.825 5.450 ( -6.733 -2.234 -0.876) 7.148 5.636 ( -3.865 -4.784 2.101) 6.499 5.676 ( -13.496 -0.556 2.669) 13.769 5.929 ( -7.516 -3.158 -4.772) 9.447 6.101 ( -10.464 -2.598 1.271) 10.856 6.433 ( 0.807 -6.605 -4.053) 7.791 6.713 ( 2.067 -3.344 -8.683) 9.531 7.603 ( -13.509 -8.906 15.501) 22.407 7.692 ( -3.947 -2.942 -0.340) 4.934 8.061 ( -1.275 1.887 -9.055) 9.337 8.431 ( 0.696 -5.927 1.323) 6.113 8.646 ( 3.913 -1.503 -1.641) 4.501 9.053 ( 11.054 -1.890 13.237) 17.349 9.215 ( 1.016 4.597 -5.143) 6.972 9.547 ( -13.722 -4.008 2.157) 14.457 9.683 ( -2.605 10.475 -4.931) 11.867 10.076 ( -0.778 5.903 2.569) 6.485 10.204 ( 4.426 0.365 -2.035) 4.885 10.453 ( -4.712 -1.105 -3.235) 5.821 10.568 ( 4.039 2.216 -6.169) 7.699 10.830 ( -8.001 6.922 3.383) 11.107 11.158 ( -1.096 -2.604 2.104) 3.522 11.346 ( -3.264 -9.698 3.531) 10.825 11.454 ( -4.070 -4.908 -2.099) 6.712 11.649 ( -4.903 -6.108 -1.396) 7.956 14.935 ( -0.716 0.168 -1.432) 1.610 15.253 ( 4.422 1.263 1.911) 4.980 20.326 ( -0.438 0.674 -2.028) 2.181 20.596 ( 2.108 4.283 4.358) 6.464 20.955 ( -2.286 9.137 -2.410) 9.722 21.252 ( 1.426 3.561 0.613) 3.884 21.922 ( 7.875 7.252 3.464) 11.252 22.315 ( 8.129 5.922 -8.502) 13.169 22.985 ( 9.039 -12.958 -3.325) 16.145 23.228 ( 6.985 -15.011 6.637) 17.837 24.716 ( -14.513 1.750 -0.710) 14.635 24.925 ( -9.778 -1.292 1.362) 9.956 28.161 ( -4.263 -1.762 3.236) 5.635 28.284 ( 0.842 -0.548 -1.900) 2.149 ======================= Grid point 25 (19/95) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 0.000 19.507 0.000) 19.507 1.003 ( 0.000 23.851 0.000) 23.851 1.497 ( 0.000 9.470 0.000) 9.470 1.835 ( 0.000 37.476 0.000) 37.476 2.083 ( -0.000 -0.221 -0.000) 0.221 2.395 ( 0.000 14.727 0.000) 14.727 2.477 ( 0.000 15.078 0.000) 15.078 2.679 ( 0.000 5.660 0.000) 5.660 2.751 ( -0.000 -6.664 -0.000) 6.664 2.883 ( -0.000 -7.234 -0.000) 7.234 3.007 ( -0.000 -3.114 -0.000) 3.114 3.019 ( 0.000 1.389 0.000) 1.389 3.116 ( 0.000 9.067 0.000) 9.067 3.167 ( -0.000 -1.130 -0.000) 1.130 3.629 ( 0.000 13.411 0.000) 13.411 3.719 ( 0.000 0.588 0.000) 0.588 3.727 ( -0.000 -18.991 -0.000) 18.991 3.846 ( -0.000 -6.132 -0.000) 6.132 3.926 ( -0.000 -7.094 -0.000) 7.094 3.956 ( -0.000 -2.052 -0.000) 2.052 4.124 ( -0.000 -1.123 -0.000) 1.123 4.139 ( 0.000 3.897 0.000) 3.897 4.249 ( 0.000 2.390 0.000) 2.390 4.310 ( -0.000 -1.904 -0.000) 1.904 4.453 ( 0.000 1.509 0.000) 1.509 4.773 ( -0.000 -8.999 -0.000) 8.999 4.778 ( -0.000 -3.814 -0.000) 3.814 4.919 ( -0.000 -6.273 -0.000) 6.273 4.951 ( -0.000 -0.334 -0.000) 0.334 5.181 ( -0.000 -6.053 -0.000) 6.053 5.190 ( -0.000 -1.414 -0.000) 1.414 5.272 ( 0.000 4.349 0.000) 4.349 5.291 ( -0.000 -4.638 -0.000) 4.638 5.357 ( -0.000 -0.609 -0.000) 0.609 5.539 ( 0.000 1.385 0.000) 1.385 5.643 ( -0.000 -1.643 -0.000) 1.643 5.848 ( -0.000 -0.422 -0.000) 0.422 6.074 ( -0.000 -6.112 -0.000) 6.112 6.469 ( -0.000 -2.419 -0.000) 2.419 6.801 ( -0.000 -5.561 -0.000) 5.561 7.547 ( -0.000 -12.106 -0.000) 12.106 7.695 ( -0.000 -2.719 -0.000) 2.719 8.075 ( -0.000 -2.471 -0.000) 2.471 8.479 ( -0.000 -4.542 -0.000) 4.542 8.691 ( -0.000 -2.700 -0.000) 2.700 9.184 ( 0.000 2.863 0.000) 2.863 9.255 ( -0.000 -1.617 -0.000) 1.617 9.353 ( 0.000 2.864 0.000) 2.864 9.509 ( 0.000 11.810 0.000) 11.810 9.988 ( 0.000 5.039 0.000) 5.039 10.318 ( -0.000 -0.991 -0.000) 0.991 10.363 ( 0.000 2.206 0.000) 2.206 10.588 ( 0.000 3.486 0.000) 3.486 10.650 ( 0.000 9.239 0.000) 9.239 11.189 ( -0.000 -4.145 -0.000) 4.145 11.372 ( -0.000 -3.990 -0.000) 3.990 11.522 ( -0.000 -12.683 -0.000) 12.683 11.654 ( -0.000 -4.945 -0.000) 4.945 14.927 ( 0.000 0.279 0.000) 0.279 15.299 ( -0.000 -0.078 -0.000) 0.078 20.317 ( 0.000 0.190 0.000) 0.190 20.569 ( 0.000 5.263 0.000) 5.263 20.841 ( 0.000 8.341 0.000) 8.341 21.229 ( 0.000 3.066 0.000) 3.066 21.930 ( 0.000 6.800 0.000) 6.800 22.400 ( 0.000 0.532 0.000) 0.532 23.235 ( -0.000 -13.755 -0.000) 13.755 23.422 ( -0.000 -14.114 -0.000) 14.114 24.526 ( 0.000 3.875 0.000) 3.875 24.826 ( 0.000 0.631 0.000) 0.631 28.116 ( 0.000 0.005 0.000) 0.005 28.298 ( -0.000 -0.532 -0.000) 0.532 ======================= Grid point 30 (20/95) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 8.900 0.000 4.301) 9.884 1.869 ( 6.063 0.000 2.866) 6.707 2.041 ( 11.745 0.000 -1.301) 11.816 2.168 ( -7.898 -0.000 -9.756) 12.552 2.248 ( -1.886 -0.000 4.373) 4.762 2.377 ( -0.483 -0.000 3.128) 3.165 2.528 ( -2.956 -0.000 -1.795) 3.458 2.542 ( 12.564 0.000 -6.495) 14.144 2.593 ( 9.246 0.000 0.291) 9.251 2.748 ( 0.556 0.000 -3.454) 3.499 2.981 ( -4.821 -0.000 2.840) 5.595 3.090 ( -2.043 -0.000 -1.240) 2.390 3.203 ( -1.145 -0.000 -0.505) 1.252 3.293 ( -0.740 -0.000 -2.299) 2.416 3.408 ( 8.638 0.000 5.013) 9.987 3.432 ( -8.125 -0.000 -0.709) 8.156 3.526 ( 2.988 0.000 -2.742) 4.055 3.653 ( 3.226 0.000 5.752) 6.595 3.720 ( 7.709 0.000 0.255) 7.713 3.839 ( 8.668 0.000 6.707) 10.959 3.843 ( -4.273 -0.000 -0.526) 4.305 3.931 ( -1.239 -0.000 2.387) 2.689 4.092 ( 6.133 0.000 -1.839) 6.403 4.458 ( -6.775 -0.000 -2.533) 7.233 4.695 ( 2.812 0.000 -1.826) 3.353 4.707 ( -0.727 -0.000 -1.508) 1.674 4.839 ( 1.592 0.000 0.671) 1.727 4.845 ( -0.301 -0.000 1.732) 1.758 4.972 ( 0.903 0.000 2.424) 2.587 5.031 ( -2.477 -0.000 2.500) 3.520 5.178 ( -3.782 -0.000 -6.217) 7.277 5.209 ( -3.845 -0.000 0.475) 3.874 5.353 ( -3.658 -0.000 3.373) 4.975 5.378 ( 0.145 0.000 0.163) 0.218 5.822 ( -11.592 -0.000 1.370) 11.673 5.976 ( 1.410 0.000 -3.286) 3.575 6.035 ( -5.038 -0.000 -3.925) 6.386 6.223 ( -3.032 -0.000 -2.375) 3.852 6.956 ( -24.406 -0.000 7.774) 25.614 7.085 ( -26.795 -0.000 -2.251) 26.889 7.648 ( -1.393 -0.000 -10.381) 10.474 7.919 ( 2.491 0.000 4.031) 4.739 8.179 ( -1.884 -0.000 -3.556) 4.024 8.391 ( 6.514 0.000 7.239) 9.738 8.493 ( -9.783 -0.000 -7.036) 12.050 8.510 ( 7.098 0.000 12.048) 13.984 9.351 ( 22.866 0.000 -6.998) 23.913 9.569 ( -5.902 -0.000 3.652) 6.941 9.782 ( -6.919 -0.000 8.268) 10.782 9.870 ( 4.886 0.000 -6.680) 8.276 10.444 ( 5.089 0.000 -6.506) 8.260 10.644 ( -3.113 -0.000 -2.369) 3.912 10.789 ( -11.944 -0.000 5.105) 12.990 10.847 ( -6.118 -0.000 -2.282) 6.529 11.321 ( -1.547 -0.000 11.033) 11.141 11.493 ( -7.745 -0.000 7.173) 10.556 11.546 ( -0.528 -0.000 -7.367) 7.386 11.796 ( -12.793 -0.000 -7.883) 15.027 15.021 ( -2.441 -0.000 -4.876) 5.452 15.081 ( 5.249 0.000 5.592) 7.669 20.406 ( -2.010 -0.000 -6.699) 6.994 20.516 ( 4.826 0.000 7.658) 9.052 21.181 ( 5.102 0.000 3.363) 6.111 21.241 ( 0.869 0.000 -4.567) 4.648 21.723 ( 11.560 0.000 2.022) 11.736 22.222 ( 11.343 0.000 -5.311) 12.525 22.467 ( 5.410 0.000 6.706) 8.616 22.606 ( -3.443 -0.000 -3.452) 4.876 25.280 ( -10.501 -0.000 -4.124) 11.282 25.305 ( -12.417 -0.000 3.929) 13.024 28.236 ( -3.348 -0.000 2.849) 4.396 28.247 ( 0.217 0.000 -2.367) 2.377 ======================= Grid point 32 (21/95) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 4.849 8.765 -0.436) 10.027 1.888 ( -10.443 3.057 -4.284) 11.694 2.033 ( 11.070 0.024 2.191) 11.285 2.209 ( -7.821 4.018 12.842) 15.564 2.254 ( 5.357 -4.677 0.602) 7.137 2.320 ( -3.574 -4.072 1.008) 5.511 2.511 ( 1.565 9.621 -5.303) 11.097 2.640 ( 0.462 -4.467 -3.195) 5.512 2.718 ( 3.388 8.736 1.411) 9.475 2.824 ( 4.023 -4.444 -0.024) 5.994 2.948 ( 0.060 -11.035 -5.430) 12.299 3.101 ( -3.268 1.365 -11.146) 11.695 3.124 ( 8.745 3.043 4.268) 10.195 3.350 ( 1.576 -0.980 -0.836) 2.036 3.365 ( 3.303 1.385 -0.757) 3.661 3.520 ( 2.444 -1.990 -0.961) 3.295 3.563 ( -2.790 8.168 2.850) 9.090 3.655 ( 2.751 -3.571 8.172) 9.333 3.850 ( 3.858 0.339 -1.579) 4.182 3.905 ( 8.616 -2.334 -1.379) 9.032 3.928 ( 3.338 2.931 3.248) 5.503 4.006 ( 8.596 -0.652 3.446) 9.284 4.216 ( 4.065 -1.208 -1.954) 4.669 4.340 ( -2.545 0.103 0.649) 2.629 4.666 ( -1.746 5.452 -0.829) 5.785 4.687 ( -0.363 3.675 -0.201) 3.698 4.827 ( -1.267 3.242 1.446) 3.769 4.861 ( -0.284 1.180 -0.114) 1.219 4.963 ( -0.085 -2.516 -1.245) 2.808 5.018 ( -1.178 0.743 3.934) 4.174 5.115 ( -3.700 -1.652 -4.444) 6.014 5.183 ( 1.563 -2.450 -2.875) 4.088 5.273 ( -5.147 -2.098 4.990) 7.470 5.398 ( 0.007 -2.204 -0.503) 2.261 5.622 ( -10.578 -2.318 2.899) 11.211 5.858 ( -8.587 -3.813 -4.105) 10.253 6.026 ( -17.993 0.327 3.810) 18.395 6.140 ( 6.109 -4.691 -11.586) 13.913 6.490 ( -23.481 2.608 10.066) 25.681 6.719 ( -10.224 -2.108 -7.259) 12.715 7.638 ( -0.445 -0.486 -7.698) 7.726 7.758 ( -16.629 -2.706 15.070) 22.604 8.185 ( -2.023 0.845 -15.248) 15.404 8.350 ( -3.099 -0.286 -1.191) 3.332 8.528 ( 6.512 -0.212 4.537) 7.939 8.726 ( 13.681 -1.492 13.434) 19.232 9.423 ( -5.568 4.591 -1.383) 7.348 9.574 ( -4.742 -4.404 -1.049) 6.556 9.797 ( 11.062 1.838 2.392) 11.466 9.981 ( 7.974 0.239 -5.098) 9.467 10.508 ( -10.075 6.265 4.709) 12.765 10.530 ( -1.077 0.194 -11.495) 11.547 10.580 ( -1.418 3.216 1.733) 3.919 10.773 ( -5.475 -10.194 -0.386) 11.578 11.280 ( -4.133 -0.001 8.690) 9.623 11.321 ( -9.291 2.210 8.856) 13.024 11.493 ( -6.437 -1.266 -7.603) 10.042 11.594 ( -8.068 -3.737 -5.671) 10.547 14.969 ( -2.362 0.128 -4.636) 5.205 15.187 ( 5.462 0.303 4.973) 7.393 20.368 ( -1.329 0.491 -4.476) 4.695 20.609 ( 4.716 1.066 7.131) 8.615 21.213 ( -0.664 4.167 -4.114) 5.893 21.281 ( 4.931 1.090 1.732) 5.338 21.929 ( 11.737 3.947 0.679) 12.401 22.356 ( 5.213 1.575 -3.355) 6.396 22.585 ( 0.734 -3.576 -0.088) 3.652 22.689 ( 12.176 -6.182 2.156) 13.824 25.034 ( -14.322 1.320 -1.452) 14.456 25.073 ( -13.199 -2.294 1.344) 13.464 28.182 ( -3.113 -0.691 2.794) 4.240 28.257 ( 0.850 -0.209 -2.220) 2.387 ======================= Grid point 33 (22/95) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -8.148 15.282 -3.826) 17.736 1.671 ( -5.973 13.432 -2.486) 14.909 1.952 ( -13.214 6.730 4.379) 15.462 2.096 ( -9.743 -0.675 3.915) 10.522 2.341 ( 12.989 -3.602 8.001) 15.675 2.468 ( 5.050 -6.157 -2.119) 8.241 2.531 ( 8.097 3.337 -3.945) 9.605 2.678 ( 1.841 -1.215 -1.356) 2.590 2.743 ( 5.120 4.056 3.349) 7.340 2.899 ( 2.610 2.072 -1.458) 3.638 3.028 ( -1.722 0.769 -7.662) 7.890 3.086 ( 2.768 -5.219 -1.478) 6.090 3.188 ( -2.542 13.493 -0.748) 13.751 3.330 ( 5.023 3.062 0.790) 5.936 3.357 ( -3.253 5.348 5.818) 8.546 3.586 ( 10.454 -7.137 -2.298) 12.864 3.593 ( 0.410 -5.711 -2.132) 6.109 3.784 ( 2.920 -4.753 3.656) 6.670 3.871 ( 0.023 1.028 -1.254) 1.621 3.914 ( -2.129 2.242 2.369) 3.895 4.087 ( 8.925 -0.122 -3.477) 9.579 4.186 ( 6.920 -0.658 1.505) 7.112 4.253 ( 3.948 2.046 3.356) 5.571 4.370 ( 2.532 2.835 -0.929) 3.913 4.529 ( -5.067 4.978 -1.107) 7.189 4.655 ( -0.341 0.161 -0.536) 0.655 4.745 ( -3.367 1.269 1.476) 3.890 4.811 ( -2.637 4.749 -0.781) 5.488 4.958 ( -1.963 0.679 1.650) 2.653 5.057 ( 4.260 -1.827 -0.830) 4.709 5.071 ( -1.890 -3.756 -3.146) 5.251 5.228 ( -3.509 -4.016 3.767) 6.529 5.265 ( 4.018 -0.502 -0.857) 4.139 5.384 ( -5.715 -4.037 0.129) 6.999 5.523 ( -4.183 -6.790 2.995) 8.518 5.650 ( -16.354 -1.692 2.954) 16.705 5.810 ( -2.850 -6.812 -9.682) 12.177 6.091 ( -17.627 0.501 12.830) 21.808 6.309 ( 6.471 -4.836 -11.882) 14.368 6.670 ( 1.160 -1.148 -7.448) 7.624 7.459 ( -17.208 -5.060 16.377) 24.288 7.648 ( -0.809 -1.602 -3.290) 3.748 8.093 ( -3.091 1.186 -9.726) 10.274 8.332 ( -2.071 -3.396 -0.574) 4.019 8.633 ( 3.960 -0.385 1.123) 4.134 9.018 ( 13.578 -1.348 14.256) 19.734 9.314 ( -0.712 5.022 -3.158) 5.975 9.471 ( -8.306 -3.542 -1.743) 9.196 9.881 ( 0.931 8.237 -2.489) 8.655 10.141 ( 8.565 0.563 -1.792) 8.768 10.262 ( -7.602 4.725 2.520) 9.298 10.435 ( -5.258 -0.429 -3.321) 6.234 10.587 ( 1.572 -0.179 -6.217) 6.415 10.837 ( 0.279 -5.709 0.330) 5.725 11.152 ( -5.953 -1.053 9.935) 11.630 11.207 ( -4.011 0.391 2.510) 4.748 11.386 ( -5.184 -2.941 -3.259) 6.793 11.528 ( -4.707 -5.355 -3.309) 7.861 14.932 ( -1.317 -0.316 -2.663) 2.988 15.274 ( 3.871 0.833 2.796) 4.847 20.341 ( -0.589 0.708 -2.152) 2.341 20.669 ( 2.960 2.712 4.739) 6.210 21.131 ( -1.227 7.658 -3.404) 8.469 21.332 ( 2.740 3.797 0.987) 4.785 22.060 ( 7.434 6.457 1.860) 10.021 22.400 ( 3.127 3.147 -3.469) 5.632 22.727 ( 5.011 -12.262 -0.878) 13.276 22.969 ( 7.680 -10.251 1.883) 12.946 24.761 ( -11.574 2.721 -0.921) 11.925 24.884 ( -9.128 -2.688 1.036) 9.572 28.138 ( -2.472 -0.651 2.038) 3.269 28.275 ( 0.793 -0.388 -1.485) 1.728 ======================= Grid point 34 (23/95) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 0.000 17.774 0.000) 17.774 1.437 ( 0.000 19.063 0.000) 19.063 1.707 ( 0.000 10.860 0.000) 10.860 2.040 ( -0.000 -2.954 -0.000) 2.954 2.399 ( 0.000 19.152 0.000) 19.152 2.565 ( -0.000 -11.507 -0.000) 11.507 2.683 ( -0.000 -1.054 -0.000) 1.054 2.722 ( -0.000 -3.018 -0.000) 3.018 2.739 ( 0.000 10.135 0.000) 10.135 2.834 ( 0.000 16.132 0.000) 16.132 2.953 ( -0.000 -1.328 -0.000) 1.328 3.058 ( 0.000 3.437 0.000) 3.437 3.163 ( -0.000 -2.734 -0.000) 2.734 3.280 ( 0.000 6.112 0.000) 6.112 3.412 ( -0.000 -7.334 -0.000) 7.334 3.644 ( -0.000 -7.579 -0.000) 7.579 3.802 ( -0.000 -5.353 -0.000) 5.353 3.818 ( 0.000 3.628 0.000) 3.628 3.823 ( 0.000 2.439 0.000) 2.439 3.896 ( -0.000 -4.605 -0.000) 4.605 4.179 ( 0.000 6.572 0.000) 6.572 4.213 ( 0.000 0.771 0.000) 0.771 4.300 ( 0.000 3.354 0.000) 3.354 4.319 ( 0.000 5.240 0.000) 5.240 4.477 ( -0.000 -1.897 -0.000) 1.897 4.680 ( 0.000 4.327 0.000) 4.327 4.693 ( -0.000 -5.573 -0.000) 5.573 4.756 ( -0.000 -7.137 -0.000) 7.137 4.940 ( -0.000 -0.149 -0.000) 0.149 5.090 ( -0.000 -3.060 -0.000) 3.060 5.165 ( -0.000 -1.248 -0.000) 1.248 5.202 ( -0.000 -4.114 -0.000) 4.114 5.302 ( -0.000 -2.013 -0.000) 2.013 5.342 ( -0.000 -0.828 -0.000) 0.828 5.519 ( -0.000 -3.080 -0.000) 3.080 5.567 ( -0.000 -6.211 -0.000) 6.211 5.852 ( 0.000 0.760 0.000) 0.760 5.926 ( -0.000 -8.263 -0.000) 8.263 6.408 ( -0.000 -3.261 -0.000) 3.261 6.715 ( -0.000 -2.936 -0.000) 2.936 7.340 ( -0.000 -8.189 -0.000) 8.189 7.654 ( -0.000 -1.523 -0.000) 1.523 8.057 ( 0.000 0.271 0.000) 0.271 8.354 ( -0.000 -6.100 -0.000) 6.100 8.674 ( -0.000 -0.340 -0.000) 0.340 9.216 ( -0.000 -1.865 -0.000) 1.865 9.257 ( 0.000 4.190 0.000) 4.190 9.376 ( 0.000 0.119 0.000) 0.119 9.756 ( 0.000 11.778 0.000) 11.778 10.110 ( 0.000 6.458 0.000) 6.458 10.304 ( -0.000 -0.506 -0.000) 0.506 10.345 ( -0.000 -2.165 -0.000) 2.165 10.621 ( -0.000 -0.725 -0.000) 0.725 10.820 ( 0.000 4.949 0.000) 4.949 11.139 ( 0.000 0.547 0.000) 0.547 11.206 ( -0.000 -11.349 -0.000) 11.349 11.363 ( -0.000 -3.057 -0.000) 3.057 11.537 ( -0.000 -6.565 -0.000) 6.565 14.923 ( -0.000 -0.512 -0.000) 0.512 15.307 ( 0.000 0.700 0.000) 0.700 20.328 ( 0.000 0.746 0.000) 0.746 20.665 ( 0.000 4.085 0.000) 4.085 21.027 ( 0.000 9.656 0.000) 9.656 21.311 ( 0.000 4.867 0.000) 4.867 22.066 ( 0.000 6.819 0.000) 6.819 22.416 ( 0.000 1.117 0.000) 1.117 22.935 ( -0.000 -15.759 -0.000) 15.759 23.152 ( -0.000 -12.389 -0.000) 12.389 24.604 ( 0.000 4.041 0.000) 4.041 24.815 ( -0.000 -1.686 -0.000) 1.686 28.115 ( -0.000 -0.065 -0.000) 0.065 28.287 ( -0.000 -0.530 -0.000) 0.530 ======================= Grid point 41 (24/95) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -8.102 -0.000 -3.529) 8.837 1.782 ( -5.947 -0.000 -1.451) 6.121 2.001 ( -8.233 -0.000 1.616) 8.390 2.073 ( -9.225 -0.000 8.195) 12.340 2.284 ( 3.509 0.000 3.594) 5.023 2.386 ( 12.165 0.000 2.062) 12.339 2.569 ( 3.351 0.000 -1.092) 3.524 2.677 ( 3.086 0.000 -5.244) 6.085 2.835 ( 4.304 0.000 -0.930) 4.404 2.886 ( 4.953 0.000 3.526) 6.080 2.965 ( 3.935 0.000 0.367) 3.952 3.080 ( 1.588 0.000 -13.861) 13.951 3.312 ( 2.510 0.000 1.395) 2.871 3.373 ( 2.194 0.000 -3.592) 4.209 3.476 ( -5.887 -0.000 3.787) 7.000 3.514 ( 11.101 0.000 2.616) 11.406 3.518 ( -1.858 -0.000 -1.434) 2.347 3.700 ( 1.858 0.000 3.732) 4.169 3.873 ( -0.809 -0.000 2.622) 2.744 3.998 ( 1.319 0.000 -1.474) 1.978 4.050 ( 5.136 0.000 -0.799) 5.197 4.144 ( 8.244 0.000 2.365) 8.576 4.311 ( 2.176 0.000 3.474) 4.100 4.321 ( 4.755 0.000 -1.931) 5.132 4.601 ( -6.986 -0.000 -0.943) 7.049 4.670 ( -1.727 -0.000 -0.448) 1.784 4.826 ( -3.751 -0.000 1.084) 3.904 4.922 ( 3.414 0.000 1.761) 3.841 4.967 ( 3.193 0.000 -2.365) 3.974 4.992 ( 1.112 0.000 1.092) 1.559 5.038 ( -4.155 -0.000 -7.151) 8.270 5.168 ( -4.584 -0.000 3.782) 5.943 5.243 ( 4.872 0.000 -1.514) 5.102 5.380 ( -0.215 -0.000 1.096) 1.117 5.396 ( -12.816 -0.000 5.799) 14.067 5.630 ( -18.251 -0.000 2.862) 18.474 5.733 ( -0.871 -0.000 -10.304) 10.341 6.095 ( -18.245 -0.000 15.561) 23.980 6.262 ( 7.452 0.000 -15.053) 16.797 6.660 ( 1.329 0.000 -6.941) 7.067 7.409 ( -17.948 -0.000 16.316) 24.255 7.631 ( -0.027 -0.000 -3.901) 3.901 8.105 ( -3.404 -0.000 -10.353) 10.898 8.299 ( -3.143 -0.000 -0.382) 3.166 8.628 ( 3.667 0.000 1.089) 3.825 9.004 ( 14.359 0.000 14.461) 20.379 9.391 ( -0.837 -0.000 -2.747) 2.871 9.414 ( -6.637 -0.000 -1.222) 6.749 9.969 ( 2.501 0.000 -2.855) 3.796 10.142 ( 9.114 0.000 -3.651) 9.818 10.318 ( -9.495 -0.000 3.666) 10.178 10.435 ( -6.438 -0.000 -3.609) 7.381 10.581 ( -3.518 -0.000 -3.739) 5.134 10.748 ( 7.539 0.000 -1.232) 7.639 11.130 ( -9.531 -0.000 10.961) 14.525 11.253 ( -2.535 -0.000 3.519) 4.337 11.343 ( -4.404 -0.000 -1.681) 4.714 11.469 ( -5.371 -0.000 -6.479) 8.416 14.928 ( -1.528 -0.000 -3.108) 3.463 15.283 ( 3.807 0.000 3.116) 4.919 20.349 ( -0.646 -0.000 -2.231) 2.322 20.696 ( 3.167 0.000 4.781) 5.735 21.216 ( -0.814 -0.000 -3.695) 3.783 21.374 ( 3.504 0.000 1.160) 3.691 22.141 ( 7.911 0.000 -0.084) 7.912 22.444 ( 3.441 0.000 -0.528) 3.482 22.569 ( 0.554 0.000 0.405) 0.686 22.860 ( 8.185 0.000 -0.015) 8.185 24.813 ( -10.162 -0.000 -2.703) 10.515 24.833 ( -9.309 -0.000 2.634) 9.675 28.132 ( -1.977 -0.000 1.740) 2.634 28.270 ( 0.772 0.000 -1.345) 1.551 ======================= Grid point 43 (25/95) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 0.000 13.043 0.000) 13.043 1.687 ( 0.000 3.388 0.000) 3.388 1.885 ( 0.000 5.985 0.000) 5.985 1.987 ( -0.000 -1.716 -0.000) 1.716 2.362 ( -0.000 -6.508 -0.000) 6.508 2.558 ( -0.000 -2.995 -0.000) 2.995 2.656 ( 0.000 6.292 0.000) 6.292 2.666 ( -0.000 -5.765 -0.000) 5.765 2.853 ( 0.000 5.587 0.000) 5.587 2.976 ( -0.000 -0.766 -0.000) 0.766 2.984 ( -0.000 -1.699 -0.000) 1.699 3.095 ( 0.000 1.409 0.000) 1.409 3.259 ( 0.000 9.677 0.000) 9.677 3.367 ( 0.000 4.414 0.000) 4.414 3.398 ( 0.000 1.049 0.000) 1.049 3.511 ( -0.000 -5.619 -0.000) 5.619 3.702 ( -0.000 -3.259 -0.000) 3.259 3.741 ( -0.000 -5.765 -0.000) 5.765 3.847 ( -0.000 -0.819 -0.000) 0.819 3.942 ( 0.000 7.930 0.000) 7.930 4.153 ( -0.000 -6.333 -0.000) 6.333 4.240 ( 0.000 0.245 0.000) 0.245 4.364 ( 0.000 0.876 0.000) 0.876 4.375 ( -0.000 -2.630 -0.000) 2.630 4.495 ( 0.000 3.579 0.000) 3.579 4.640 ( 0.000 1.817 0.000) 1.817 4.738 ( 0.000 4.893 0.000) 4.893 4.871 ( 0.000 11.358 0.000) 11.358 4.970 ( 0.000 2.520 0.000) 2.520 5.018 ( -0.000 -5.136 -0.000) 5.136 5.125 ( -0.000 -2.699 -0.000) 2.699 5.151 ( -0.000 -0.431 -0.000) 0.431 5.191 ( -0.000 -7.942 -0.000) 7.942 5.334 ( 0.000 0.303 0.000) 0.303 5.422 ( -0.000 -6.525 -0.000) 6.525 5.451 ( -0.000 -2.599 -0.000) 2.599 5.791 ( -0.000 -4.119 -0.000) 4.119 5.871 ( 0.000 0.802 0.000) 0.802 6.357 ( -0.000 -1.471 -0.000) 1.471 6.680 ( -0.000 -0.756 -0.000) 0.756 7.231 ( -0.000 -2.744 -0.000) 2.744 7.632 ( -0.000 -0.610 -0.000) 0.610 8.068 ( 0.000 0.473 0.000) 0.473 8.270 ( -0.000 -2.178 -0.000) 2.178 8.664 ( -0.000 -0.455 -0.000) 0.455 9.189 ( -0.000 -0.730 -0.000) 0.730 9.324 ( 0.000 1.695 0.000) 1.695 9.383 ( 0.000 0.787 0.000) 0.787 9.933 ( 0.000 5.048 0.000) 5.048 10.211 ( 0.000 3.001 0.000) 3.001 10.297 ( -0.000 -0.129 -0.000) 0.129 10.310 ( -0.000 -1.045 -0.000) 1.045 10.572 ( -0.000 -2.666 -0.000) 2.666 10.844 ( -0.000 -0.551 -0.000) 0.551 11.042 ( -0.000 -4.289 -0.000) 4.289 11.205 ( 0.000 4.003 0.000) 4.003 11.332 ( -0.000 -0.585 -0.000) 0.585 11.414 ( -0.000 -4.850 -0.000) 4.850 14.913 ( -0.000 -0.327 -0.000) 0.327 15.319 ( 0.000 0.416 0.000) 0.416 20.340 ( 0.000 0.375 0.000) 0.375 20.722 ( 0.000 1.500 0.000) 1.500 21.182 ( 0.000 4.703 0.000) 4.703 21.394 ( 0.000 2.654 0.000) 2.654 22.192 ( 0.000 4.875 0.000) 4.875 22.453 ( 0.000 3.005 0.000) 3.005 22.648 ( -0.000 -11.653 -0.000) 11.653 22.966 ( -0.000 -5.403 -0.000) 5.403 24.683 ( 0.000 3.738 0.000) 3.738 24.766 ( -0.000 -3.039 -0.000) 3.039 28.114 ( -0.000 -0.045 -0.000) 0.045 28.279 ( -0.000 -0.221 -0.000) 0.221 ======================= Grid point 85 (26/95) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -3.733 -0.000 23.390) 23.686 0.497 ( -5.461 -0.000 25.004) 25.593 0.936 ( 1.944 0.000 44.627) 44.670 1.205 ( 3.840 0.000 -10.138) 10.841 1.539 ( 2.931 0.000 -24.357) 24.532 2.154 ( -9.569 -0.000 3.140) 10.070 2.454 ( 7.206 0.000 -6.483) 9.693 2.502 ( -1.379 -0.000 20.971) 21.016 2.575 ( 5.449 0.000 -28.215) 28.736 2.975 ( -0.736 -0.000 -2.944) 3.034 3.005 ( -1.215 -0.000 4.661) 4.816 3.136 ( -4.512 -0.000 2.211) 5.025 3.167 ( 1.441 0.000 -0.851) 1.673 3.243 ( 1.470 0.000 -2.472) 2.876 3.326 ( -4.947 -0.000 4.164) 6.466 3.716 ( 0.594 0.000 -6.672) 6.699 3.841 ( 3.321 0.000 -4.867) 5.892 3.955 ( 0.137 0.000 -1.702) 1.708 3.990 ( 2.891 0.000 -0.331) 2.910 4.099 ( -3.104 -0.000 -2.281) 3.851 4.189 ( -2.378 -0.000 3.591) 4.307 4.209 ( 1.270 0.000 1.717) 2.136 4.413 ( -6.875 -0.000 2.619) 7.357 4.421 ( 0.389 0.000 1.984) 2.021 4.603 ( -0.061 -0.000 6.541) 6.541 4.774 ( 2.259 0.000 3.108) 3.842 4.821 ( -0.967 -0.000 -0.117) 0.974 4.922 ( 5.437 0.000 -7.609) 9.351 4.962 ( 2.493 0.000 2.184) 3.314 4.983 ( -3.496 -0.000 -2.369) 4.223 5.152 ( 4.784 0.000 1.632) 5.055 5.255 ( -2.138 -0.000 4.633) 5.102 5.381 ( -7.976 -0.000 4.980) 9.403 5.420 ( -15.176 -0.000 2.241) 15.341 5.613 ( -3.366 -0.000 -4.452) 5.582 5.791 ( 2.772 0.000 -8.528) 8.967 6.012 ( 13.406 0.000 5.507) 14.493 6.229 ( 16.102 0.000 1.838) 16.206 6.505 ( -1.687 -0.000 -0.245) 1.705 6.662 ( 4.326 0.000 -13.379) 14.061 7.775 ( -3.286 -0.000 1.249) 3.515 7.849 ( 0.106 0.000 -1.179) 1.183 8.216 ( -8.416 -0.000 21.645) 23.223 8.464 ( -10.814 -0.000 1.878) 10.975 8.726 ( 16.254 0.000 -12.538) 20.528 9.086 ( 6.703 0.000 -12.341) 14.043 9.198 ( 1.093 0.000 6.653) 6.742 9.349 ( 10.482 0.000 1.192) 10.550 9.890 ( -12.343 -0.000 0.386) 12.349 9.990 ( 6.000 0.000 -2.489) 6.496 10.099 ( -11.858 -0.000 9.988) 15.504 10.363 ( 1.442 0.000 2.244) 2.668 10.446 ( -0.393 -0.000 -0.429) 0.582 10.500 ( 5.139 0.000 -7.091) 8.757 11.288 ( -5.800 -0.000 0.000) 5.800 11.387 ( 5.029 0.000 -4.653) 6.851 11.692 ( -2.525 -0.000 4.379) 5.055 11.833 ( 0.990 0.000 -0.980) 1.393 14.914 ( -0.985 -0.000 0.908) 1.339 14.954 ( 0.972 0.000 -0.686) 1.190 20.411 ( -0.977 -0.000 -0.138) 0.987 20.431 ( 3.486 0.000 -1.498) 3.794 20.765 ( -2.892 -0.000 8.110) 8.611 21.165 ( 2.847 0.000 -8.639) 9.096 21.779 ( -10.240 -0.000 1.873) 10.410 21.829 ( 54.701 0.000 -0.513) 54.704 23.619 ( 3.977 0.000 7.681) 8.649 24.066 ( -32.896 -0.000 -11.993) 35.014 24.531 ( -13.701 -0.000 7.725) 15.729 24.742 ( 2.233 0.000 -2.627) 3.448 28.274 ( -24.715 -0.000 0.603) 24.722 28.303 ( 4.311 0.000 -0.562) 4.348 ======================= Grid point 86 (27/95) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 9.425 -20.432 14.993) 27.039 0.801 ( 19.940 -6.576 15.097) 25.861 1.263 ( 20.146 -9.738 32.007) 39.053 1.521 ( 24.002 0.374 -13.056) 27.326 1.689 ( 10.014 -6.885 -22.308) 25.403 1.930 ( -11.022 -5.300 -0.050) 12.230 2.376 ( -8.692 -1.095 5.482) 10.335 2.567 ( 2.061 -0.045 13.648) 13.803 2.719 ( 9.039 -4.117 -21.447) 23.636 2.923 ( -3.221 4.223 -2.088) 5.707 2.955 ( -4.742 1.864 1.080) 5.208 3.075 ( 0.718 -2.047 2.002) 2.952 3.125 ( -3.481 2.830 1.974) 4.901 3.247 ( -2.037 2.577 1.104) 3.466 3.295 ( 2.764 -5.491 0.084) 6.148 3.697 ( -3.411 -0.006 -0.880) 3.522 3.856 ( -4.154 3.781 -5.250) 7.688 3.915 ( -1.416 1.040 -4.792) 5.104 3.940 ( -9.761 0.028 0.616) 9.781 3.981 ( -3.878 -1.816 -2.494) 4.956 4.102 ( -4.403 3.507 2.388) 6.115 4.192 ( -6.432 4.199 -4.504) 8.904 4.273 ( -4.282 5.349 1.938) 7.121 4.351 ( -4.344 -0.732 2.969) 5.312 4.636 ( 1.573 2.174 4.531) 5.266 4.811 ( -1.195 0.034 -0.171) 1.207 4.878 ( 3.872 1.282 4.967) 6.427 4.920 ( 1.280 1.061 -1.245) 2.077 4.983 ( 0.084 0.274 -0.610) 0.674 5.021 ( -1.257 -4.166 -0.245) 4.358 5.099 ( -6.212 -1.534 3.131) 7.123 5.142 ( -5.441 -2.396 -1.185) 6.062 5.360 ( 5.345 0.028 -7.785) 9.443 5.393 ( 2.328 -1.358 0.225) 2.705 5.587 ( 6.660 -1.271 0.508) 6.799 5.880 ( 7.831 0.973 -4.265) 8.970 6.138 ( 4.545 6.381 4.706) 9.139 6.451 ( 8.460 2.682 7.854) 11.851 6.576 ( 8.474 1.010 0.903) 8.582 6.820 ( 6.118 -1.472 -8.982) 10.967 7.656 ( -2.245 2.262 -1.243) 3.421 7.806 ( -0.340 1.087 0.654) 1.314 8.230 ( 6.367 -0.262 12.788) 14.287 8.366 ( -2.195 -0.359 -3.369) 4.037 8.957 ( -5.042 2.734 -8.015) 9.856 9.028 ( -4.401 7.886 1.279) 9.121 9.212 ( 6.476 -6.709 -7.169) 11.762 9.257 ( -13.496 -2.020 2.173) 13.818 9.930 ( 8.512 1.956 -4.593) 9.868 10.102 ( 13.363 16.446 1.797) 21.266 10.212 ( 4.614 -4.913 3.063) 7.403 10.348 ( 3.662 3.897 -1.123) 5.464 10.465 ( 2.121 -5.909 1.338) 6.419 10.669 ( 10.834 -1.737 -2.499) 11.254 11.178 ( -6.019 -1.837 -2.958) 6.954 11.503 ( 7.130 0.696 -1.936) 7.421 11.635 ( -3.691 0.703 1.914) 4.217 11.846 ( 3.169 1.523 0.687) 3.582 14.904 ( -0.641 -1.072 0.717) 1.440 15.014 ( 0.339 -5.730 -2.308) 6.187 20.401 ( 0.026 0.472 -1.142) 1.236 20.450 ( 1.095 1.671 0.964) 2.218 20.745 ( -1.170 -3.356 6.023) 6.993 21.190 ( 1.514 1.283 -5.741) 6.074 21.575 ( -12.068 -3.474 -6.158) 13.987 22.332 ( -7.960 -0.779 2.861) 8.494 23.309 ( -20.637 -1.027 -2.896) 20.864 23.526 ( -10.749 4.126 10.205) 15.385 24.682 ( 17.565 -1.598 3.938) 18.072 24.931 ( 15.466 0.991 -0.234) 15.500 28.151 ( 5.680 0.510 -3.110) 6.495 28.362 ( 1.705 0.710 3.294) 3.776 ======================= Grid point 87 (28/95) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 2.045 -24.376 5.859) 25.154 1.195 ( 13.511 -7.059 5.171) 16.097 1.461 ( -1.616 0.922 2.243) 2.914 1.882 ( 12.996 -6.115 -16.484) 21.863 2.026 ( 19.821 -15.971 5.229) 25.986 2.079 ( 5.067 2.244 0.874) 5.610 2.352 ( 9.717 -7.905 3.218) 12.933 2.617 ( 2.028 1.751 10.705) 11.035 2.777 ( -5.546 4.972 -0.875) 7.500 2.846 ( -2.572 4.273 -2.358) 5.517 2.903 ( 0.233 -2.759 -7.266) 7.776 3.059 ( 2.638 -2.170 -2.755) 4.389 3.147 ( 4.479 -0.129 4.113) 6.083 3.182 ( -0.661 -2.495 4.164) 4.899 3.454 ( 3.510 -9.412 -0.492) 10.057 3.547 ( -13.963 1.547 -2.515) 14.272 3.636 ( -6.019 5.639 -2.089) 8.508 3.772 ( -7.702 0.672 -0.674) 7.760 3.889 ( -3.718 1.336 -4.352) 5.878 3.911 ( -7.753 -0.656 -0.903) 7.833 3.922 ( -6.774 6.770 -0.141) 9.579 3.986 ( -5.806 2.509 -4.495) 7.760 4.199 ( -2.236 2.622 0.074) 3.446 4.282 ( -1.302 -0.126 2.556) 2.871 4.597 ( -2.822 3.945 2.995) 5.701 4.741 ( -4.313 8.211 2.084) 9.506 4.805 ( -3.049 -1.436 -0.795) 3.463 4.946 ( -0.542 2.635 1.100) 2.906 4.991 ( 0.362 0.923 1.317) 1.649 5.062 ( 0.321 -3.946 -0.308) 3.971 5.081 ( 5.160 -2.225 -2.336) 6.085 5.192 ( 2.133 -5.010 -1.643) 5.688 5.350 ( -0.436 1.895 -1.214) 2.293 5.522 ( 4.821 -0.888 -5.068) 7.051 5.787 ( 11.080 -0.383 -0.136) 11.088 6.040 ( 8.735 3.448 -1.390) 9.493 6.167 ( 5.041 1.220 4.454) 6.836 6.572 ( 9.246 4.907 5.138) 11.661 6.680 ( -4.132 4.264 1.794) 6.202 6.842 ( 8.309 -2.441 1.502) 8.790 7.780 ( 15.033 4.804 -9.013) 18.174 7.844 ( 5.872 0.601 -0.081) 5.903 8.290 ( -6.160 1.616 0.986) 6.444 8.393 ( 9.276 2.073 5.008) 10.743 8.758 ( -14.490 5.870 3.506) 16.022 8.828 ( -9.092 1.020 -0.184) 9.151 9.087 ( -1.184 -6.346 0.490) 6.474 9.413 ( 2.142 -8.923 -3.179) 9.711 9.969 ( -2.349 1.592 -1.098) 3.043 10.018 ( -6.902 8.747 -5.141) 12.271 10.251 ( 9.095 6.952 2.910) 11.811 10.527 ( 8.568 0.338 -4.819) 9.836 10.596 ( 3.612 -4.867 5.570) 8.232 10.913 ( 14.237 1.376 -2.013) 14.444 11.143 ( 1.357 -4.213 1.267) 4.604 11.531 ( -1.983 5.137 -0.438) 5.524 11.620 ( 3.316 -0.145 -0.110) 3.321 11.924 ( 5.855 1.234 -0.821) 6.039 14.912 ( 0.041 -1.402 1.063) 1.760 15.060 ( 0.134 -3.247 -1.693) 3.664 20.391 ( -0.539 0.503 -3.268) 3.350 20.467 ( 2.059 0.989 4.826) 5.340 20.801 ( 1.113 -6.726 2.119) 7.139 21.198 ( 0.928 0.567 -2.344) 2.584 21.412 ( -8.502 -3.328 -8.077) 12.190 22.162 ( -9.794 -7.763 16.118) 20.395 23.009 ( -13.864 3.173 -16.756) 21.978 23.227 ( -15.178 6.851 9.721) 19.282 25.032 ( 16.305 -1.595 1.749) 16.476 25.206 ( 15.271 3.364 -0.036) 15.638 28.247 ( 5.301 2.359 -5.141) 7.752 28.356 ( -1.281 1.107 3.874) 4.227 ======================= Grid point 88 (29/95) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -6.245 -13.812 -6.917) 16.661 1.462 ( 10.384 -5.477 5.059) 12.783 1.688 ( 9.542 -12.446 4.670) 16.364 1.996 ( -0.495 -4.936 -4.541) 6.726 2.158 ( 8.965 6.741 -8.379) 14.000 2.364 ( 0.772 1.033 3.897) 4.105 2.530 ( -2.109 1.201 7.153) 7.553 2.644 ( 1.014 -1.894 -1.182) 2.451 2.661 ( -5.277 3.533 -1.010) 6.430 2.800 ( 4.720 -11.453 2.373) 12.613 2.999 ( 4.685 -6.827 -4.146) 9.260 3.052 ( 1.832 2.554 5.458) 6.299 3.243 ( -5.959 2.762 -1.515) 6.741 3.269 ( 2.093 -4.398 4.424) 6.580 3.337 ( -3.444 1.911 5.784) 6.997 3.455 ( 2.506 0.641 -3.344) 4.228 3.581 ( -6.830 3.067 0.404) 7.498 3.666 ( -2.383 -4.986 0.638) 5.563 3.703 ( -4.325 1.603 -2.254) 5.133 3.810 ( -2.071 -1.246 -5.045) 5.594 3.859 ( -1.686 3.964 0.615) 4.351 3.933 ( 3.016 -2.197 -6.055) 7.112 4.114 ( -2.215 3.167 -1.799) 4.263 4.325 ( 1.213 -3.366 3.141) 4.761 4.496 ( -2.058 4.852 2.528) 5.845 4.579 ( -2.540 8.703 -0.975) 9.118 4.773 ( -1.517 -0.220 -1.531) 2.166 4.925 ( 0.264 0.936 -1.188) 1.536 4.958 ( -1.743 2.374 0.184) 2.951 5.119 ( 1.244 -4.053 -2.963) 5.172 5.195 ( 4.056 -1.284 2.270) 4.822 5.286 ( 3.898 -3.163 -0.356) 5.033 5.306 ( -1.436 3.195 -0.757) 3.583 5.559 ( -0.464 0.283 -1.819) 1.899 5.945 ( 6.368 2.299 -0.462) 6.786 6.071 ( 1.174 3.173 -0.701) 3.455 6.266 ( 0.292 -0.986 3.579) 3.724 6.483 ( -8.431 1.244 4.952) 9.856 6.807 ( 20.386 3.293 -3.079) 20.878 7.159 ( 20.397 -0.244 -1.269) 20.438 7.910 ( 3.698 4.595 1.001) 5.982 8.020 ( 7.533 -0.442 0.342) 7.554 8.177 ( 1.076 0.649 -2.852) 3.116 8.308 ( -18.201 4.424 0.972) 18.756 8.578 ( 1.081 0.925 5.915) 6.083 8.679 ( -1.828 3.553 -0.699) 4.056 9.196 ( -3.290 -5.502 0.723) 6.452 9.422 ( -4.851 -6.217 4.483) 9.071 9.793 ( -8.143 4.707 -8.775) 12.863 9.975 ( 5.332 -1.706 -4.987) 7.497 10.375 ( 8.811 4.370 1.915) 10.020 10.479 ( -5.598 2.179 2.874) 6.660 10.784 ( 7.332 -2.019 -0.723) 7.639 11.069 ( 3.940 -1.814 -0.180) 4.341 11.342 ( 12.718 -1.398 3.208) 13.190 11.444 ( -0.473 6.794 0.132) 6.811 11.650 ( -0.190 0.150 -0.190) 0.308 12.012 ( 3.971 0.051 -2.307) 4.593 14.931 ( 0.775 -0.432 1.283) 1.560 15.085 ( -0.056 -2.090 -1.237) 2.429 20.365 ( -1.326 0.596 -4.683) 4.903 20.514 ( 2.633 -0.466 8.126) 8.554 20.903 ( 2.404 -6.345 -1.532) 6.956 21.211 ( -0.071 -1.460 0.558) 1.565 21.308 ( -3.830 0.305 -6.891) 7.890 22.159 ( -3.102 -11.280 12.728) 17.288 22.711 ( -11.282 5.179 -15.961) 20.220 22.885 ( -13.537 7.673 8.116) 17.550 25.297 ( 10.112 -1.636 1.035) 10.295 25.410 ( 10.446 3.947 -0.341) 11.173 28.289 ( 2.180 2.423 -2.646) 4.198 28.318 ( -1.503 0.738 2.247) 2.802 ======================= Grid point 89 (30/95) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 5.208 -6.234 2.071) 8.383 1.685 ( 7.134 -3.780 2.137) 8.351 1.845 ( 0.194 -8.330 -2.346) 8.656 2.043 ( -6.260 6.185 2.371) 9.114 2.175 ( 3.818 -6.193 1.810) 7.498 2.349 ( 1.257 2.981 -3.218) 4.563 2.383 ( -5.430 8.047 -5.088) 10.960 2.502 ( -4.085 2.039 -0.849) 4.644 2.716 ( 3.076 -3.850 -1.527) 5.159 2.893 ( -4.234 -6.444 4.814) 9.090 3.075 ( -3.415 3.969 5.733) 7.764 3.143 ( 3.829 -3.981 -4.004) 6.822 3.188 ( 1.109 0.744 0.350) 1.381 3.257 ( -0.640 1.113 -0.830) 1.529 3.340 ( 2.327 -6.464 2.591) 7.342 3.461 ( -1.762 -1.914 2.478) 3.593 3.537 ( 0.817 -0.646 -0.143) 1.051 3.576 ( 0.731 4.110 -1.264) 4.362 3.667 ( -2.268 4.241 2.848) 5.589 3.786 ( -0.935 0.375 -1.055) 1.459 3.831 ( 0.791 5.814 3.483) 6.823 4.059 ( -1.279 -4.038 -4.532) 6.203 4.111 ( 5.740 -7.535 -3.910) 10.247 4.316 ( -2.542 1.131 0.643) 2.856 4.445 ( -3.654 9.676 -0.484) 10.354 4.476 ( 1.527 0.211 3.473) 3.799 4.823 ( 3.863 -2.837 0.465) 4.815 4.884 ( -1.088 0.971 -2.587) 2.970 4.950 ( 2.117 0.004 -3.894) 4.432 5.154 ( 0.329 1.062 -6.290) 6.388 5.233 ( -1.802 -1.508 2.214) 3.228 5.264 ( 0.008 0.098 0.972) 0.977 5.405 ( 5.166 -1.780 -0.299) 5.472 5.512 ( -2.679 1.159 0.332) 2.937 5.992 ( 3.155 4.343 -0.947) 5.451 6.062 ( -0.876 -2.542 -1.000) 2.869 6.237 ( -2.056 -0.288 2.906) 3.572 6.352 ( -5.045 1.599 3.272) 6.222 7.215 ( 22.740 -0.524 -2.295) 22.862 7.458 ( 5.552 0.392 -0.056) 5.566 7.772 ( -12.922 0.627 4.916) 13.840 7.964 ( -8.484 1.283 -6.273) 10.629 8.140 ( 4.991 0.687 0.643) 5.079 8.359 ( 15.158 0.064 -0.190) 15.159 8.556 ( 1.974 5.299 4.015) 6.936 8.659 ( -3.366 -1.211 0.637) 3.633 8.970 ( -19.463 -3.811 9.494) 21.988 9.458 ( 2.293 2.205 -6.586) 7.314 9.676 ( -0.437 -0.082 -7.215) 7.228 10.086 ( 1.892 0.733 -5.942) 6.279 10.379 ( -0.024 -3.187 9.539) 10.057 10.516 ( 4.648 -1.475 -3.989) 6.300 10.856 ( -0.400 0.267 3.807) 3.838 11.124 ( 0.569 0.084 1.981) 2.063 11.374 ( 0.805 6.939 -3.617) 7.866 11.550 ( 5.876 -1.043 1.220) 6.092 11.628 ( -0.420 0.071 2.553) 2.589 12.061 ( 0.404 -1.891 -2.908) 3.493 14.946 ( 0.975 0.935 1.234) 1.829 15.098 ( -0.438 -1.518 -0.984) 1.861 20.327 ( -1.540 0.739 -4.459) 4.775 20.577 ( 2.080 -1.270 9.281) 9.596 21.002 ( 3.188 -3.077 -3.392) 5.580 21.217 ( -2.702 -4.392 1.110) 5.275 21.247 ( 0.536 4.982 -5.168) 7.198 22.209 ( -4.870 -5.322 9.173) 11.670 22.524 ( -1.917 3.398 -10.146) 10.870 22.641 ( -4.504 2.508 3.546) 6.257 25.438 ( 3.075 -1.885 0.744) 3.682 25.511 ( 4.073 2.832 -0.478) 4.983 28.276 ( -1.335 -0.114 0.655) 1.491 28.311 ( 1.273 1.430 -0.705) 2.040 ======================= Grid point 90 (31/95) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -1.224 1.673 2.359) 3.141 1.718 ( -8.405 3.846 3.482) 9.877 1.835 ( -2.315 3.003 -5.878) 6.995 1.988 ( 2.286 0.180 5.542) 5.998 2.081 ( -4.076 -0.777 -0.980) 4.263 2.380 ( 4.697 -5.872 -2.889) 8.055 2.417 ( 0.115 1.837 -4.111) 4.505 2.515 ( 8.634 -2.091 -1.260) 8.973 2.782 ( -2.016 0.044 -2.579) 3.274 2.845 ( -1.662 8.506 3.545) 9.363 2.964 ( 1.694 -4.479 5.946) 7.635 3.156 ( -0.998 2.019 -0.973) 2.453 3.229 ( 0.677 3.566 2.702) 4.525 3.337 ( -0.889 0.866 -2.775) 3.040 3.360 ( 5.809 -1.947 -1.169) 6.237 3.491 ( -4.353 1.542 5.052) 6.844 3.538 ( 3.129 -4.229 3.277) 6.198 3.561 ( -0.757 5.557 -1.385) 5.776 3.606 ( -1.906 -0.184 -0.447) 1.967 3.758 ( -0.409 -0.044 1.519) 1.574 3.821 ( 2.199 0.163 0.766) 2.335 4.015 ( -4.499 0.196 -4.129) 6.109 4.154 ( -1.770 10.955 -3.991) 11.793 4.324 ( -3.174 -1.250 2.360) 4.148 4.348 ( 3.362 -9.356 -0.721) 9.968 4.544 ( 2.702 -6.281 2.065) 7.143 4.810 ( -0.331 0.865 -2.153) 2.344 4.944 ( 1.221 -0.547 0.340) 1.380 5.002 ( 1.668 -1.723 -2.502) 3.466 5.122 ( 1.272 4.247 -6.746) 8.072 5.199 ( -3.682 -0.600 1.945) 4.207 5.277 ( 0.200 -1.587 -0.310) 1.629 5.378 ( -4.117 2.676 0.169) 4.913 5.556 ( 3.010 -1.963 0.439) 3.620 6.012 ( 2.185 -0.960 -1.513) 2.826 6.110 ( 2.503 -2.190 -3.356) 4.725 6.206 ( -1.532 -0.039 4.242) 4.510 6.282 ( -3.138 -1.811 4.674) 5.914 7.292 ( -16.675 0.749 -3.440) 17.042 7.408 ( -11.695 1.046 1.009) 11.785 7.682 ( 14.641 -1.086 3.293) 15.046 7.969 ( -4.306 -5.183 -3.211) 7.464 8.173 ( 1.359 0.547 -1.005) 1.776 8.499 ( -5.768 1.761 -0.248) 6.036 8.579 ( -1.330 -1.925 -0.045) 2.340 8.616 ( 2.323 2.496 4.981) 6.036 8.851 ( 13.325 -1.716 7.765) 15.518 9.440 ( -1.100 3.700 -4.096) 5.628 9.728 ( 5.595 -1.446 -8.286) 10.102 10.028 ( -1.989 4.880 -2.601) 5.876 10.483 ( -0.218 -8.113 4.224) 9.150 10.562 ( -2.302 -3.328 -2.988) 5.030 10.784 ( -6.158 1.427 5.148) 8.153 11.113 ( -0.582 0.281 2.648) 2.725 11.317 ( -0.137 6.022 -1.497) 6.207 11.540 ( -3.032 -0.116 -4.046) 5.057 11.694 ( 2.317 -1.913 5.634) 6.385 12.052 ( -3.821 -2.770 -3.400) 5.817 14.950 ( 0.522 1.284 1.269) 1.880 15.097 ( -0.489 -0.074 -1.021) 1.135 20.293 ( -0.885 0.673 -3.104) 3.297 20.617 ( 0.209 -0.596 7.809) 7.835 21.071 ( 2.819 0.203 -2.714) 3.918 21.186 ( -4.195 -1.244 3.254) 5.453 21.217 ( 2.300 5.398 -8.259) 10.131 22.097 ( -5.503 4.304 7.042) 9.919 22.486 ( 4.161 3.336 -4.006) 6.670 22.775 ( 10.491 -9.760 -0.078) 14.329 25.447 ( -4.313 -2.078 0.901) 4.872 25.506 ( -2.618 0.928 -0.631) 2.849 28.257 ( -1.369 -0.966 0.298) 1.702 28.331 ( 1.806 -0.177 -0.349) 1.848 ======================= Grid point 91 (32/95) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -12.896 6.615 -9.895) 17.549 1.469 ( -9.791 8.783 10.196) 16.642 1.786 ( -3.298 3.479 5.056) 6.967 1.947 ( 4.518 -1.856 -8.172) 9.520 2.166 ( -4.617 5.855 -5.978) 9.556 2.265 ( 1.100 3.349 0.734) 3.601 2.519 ( 1.022 3.687 5.113) 6.386 2.711 ( -3.227 2.699 4.024) 5.822 2.740 ( 6.218 -3.685 -0.328) 7.235 2.819 ( 1.334 -4.105 2.120) 4.809 2.993 ( -4.151 0.173 -4.563) 6.171 3.075 ( -8.900 5.779 3.865) 11.294 3.174 ( 3.345 3.939 2.883) 5.917 3.310 ( -5.098 5.725 4.192) 8.738 3.331 ( 2.832 4.563 1.408) 5.552 3.406 ( -4.859 0.491 -3.952) 6.282 3.499 ( 6.796 1.023 -0.112) 6.874 3.642 ( 8.169 -4.415 -0.291) 9.290 3.726 ( 5.309 -7.326 -2.445) 9.372 3.787 ( 0.697 1.396 0.981) 1.843 3.833 ( 0.953 2.836 -3.598) 4.679 3.933 ( 1.075 1.015 -5.469) 5.665 4.145 ( 4.960 -1.896 -1.476) 5.511 4.289 ( -2.121 -2.135 2.888) 4.171 4.496 ( 2.742 -8.179 0.765) 8.660 4.682 ( 3.112 -7.785 1.115) 8.458 4.813 ( 0.546 -0.342 -3.951) 4.003 4.925 ( -1.973 0.886 1.899) 2.878 5.011 ( -3.064 0.623 2.535) 4.026 5.109 ( 0.939 1.190 -4.100) 4.371 5.143 ( 0.127 1.678 0.462) 1.745 5.286 ( -0.444 3.138 -1.653) 3.574 5.298 ( -1.101 -0.715 -0.611) 1.448 5.583 ( -0.697 -0.498 -1.466) 1.698 6.043 ( -3.614 -2.342 -3.954) 5.847 6.150 ( 0.585 -2.756 -1.498) 3.191 6.171 ( -5.218 0.640 4.831) 7.140 6.271 ( -2.452 -5.053 6.489) 8.582 6.972 ( -16.270 -2.305 -0.564) 16.442 7.144 ( -13.549 2.259 -1.972) 13.877 7.809 ( -13.587 -6.894 -0.267) 15.238 7.897 ( 3.348 1.143 1.488) 3.837 8.223 ( 2.526 -3.758 -2.143) 5.009 8.420 ( 2.131 -2.457 -1.061) 3.421 8.545 ( -2.467 0.075 5.851) 6.350 8.741 ( 11.947 3.126 1.075) 12.396 9.194 ( 13.050 1.093 1.289) 13.159 9.358 ( -0.633 2.027 1.931) 2.870 9.877 ( 7.912 -1.675 -6.552) 10.409 9.933 ( -1.912 6.089 -4.475) 7.795 10.413 ( -9.194 -0.587 -1.611) 9.353 10.551 ( -6.305 -9.164 4.641) 12.053 10.652 ( -7.656 -1.604 0.534) 7.841 11.071 ( -5.368 2.156 -0.977) 5.867 11.282 ( 1.790 1.421 6.813) 7.187 11.481 ( -3.168 -0.324 -6.936) 7.632 11.730 ( -1.162 -2.937 5.266) 6.140 11.968 ( -7.079 -1.921 -3.968) 8.340 14.945 ( -0.025 0.695 1.494) 1.648 15.079 ( -0.086 2.360 -1.462) 2.777 20.279 ( 0.181 0.270 -1.481) 1.516 20.605 ( -1.808 1.130 4.591) 5.062 21.051 ( -6.096 -0.190 3.834) 7.204 21.146 ( 2.020 2.415 0.278) 3.161 21.203 ( 4.939 9.397 -12.279) 16.232 21.984 ( -1.684 5.658 10.114) 11.711 22.643 ( 13.663 -1.294 -5.060) 14.628 23.130 ( 15.645 -11.222 0.459) 19.259 25.326 ( -11.057 -2.555 1.445) 11.440 25.395 ( -8.873 -0.232 -0.738) 8.907 28.240 ( -1.475 -0.815 -0.658) 1.809 28.384 ( 2.391 -2.713 0.239) 3.624 ======================= Grid point 92 (33/95) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -9.519 7.755 -1.848) 12.416 1.145 ( -15.521 10.013 13.923) 23.130 1.675 ( -7.398 4.248 -2.628) 8.926 1.892 ( -11.244 9.040 -15.969) 21.521 2.035 ( -7.091 -0.962 1.692) 7.354 2.169 ( -12.479 19.451 15.505) 27.829 2.310 ( 2.837 6.883 -0.066) 7.445 2.614 ( -4.217 -0.784 5.796) 7.210 2.700 ( -10.728 2.352 -4.479) 11.861 2.854 ( 2.778 -1.256 -3.891) 4.943 2.970 ( 2.709 -3.187 -6.256) 7.525 3.032 ( 2.542 -6.367 -2.734) 7.380 3.132 ( -2.676 5.582 5.852) 8.518 3.202 ( 0.486 -0.173 7.330) 7.348 3.353 ( 3.448 4.560 -0.567) 5.745 3.586 ( 9.908 -4.074 -1.250) 10.786 3.677 ( 9.970 1.090 -4.265) 10.899 3.717 ( 5.239 0.925 -2.335) 5.810 3.835 ( 6.942 -2.259 -1.865) 7.535 3.856 ( 2.599 0.740 0.278) 2.717 3.936 ( 8.519 -2.192 -2.126) 9.049 4.030 ( 7.158 -6.829 -3.810) 10.601 4.223 ( -0.303 -2.595 0.729) 2.713 4.336 ( 3.392 -3.272 1.305) 4.890 4.614 ( 1.387 -8.021 1.549) 8.286 4.772 ( 0.463 -0.536 3.022) 3.104 4.825 ( -0.105 -1.836 -0.672) 1.958 4.881 ( -1.387 -0.521 2.727) 3.103 4.961 ( -0.303 -0.144 1.031) 1.084 5.090 ( 0.081 2.649 -2.271) 3.490 5.173 ( 1.881 1.367 -0.316) 2.346 5.214 ( -2.015 2.963 -2.870) 4.591 5.330 ( 3.210 0.221 -1.354) 3.491 5.571 ( 0.060 -0.643 -6.653) 6.685 5.917 ( -10.785 -0.653 -1.910) 10.972 6.000 ( -11.016 -0.099 -1.057) 11.067 6.145 ( -4.552 -1.069 -1.041) 4.791 6.220 ( -8.947 -2.269 13.399) 16.271 6.769 ( -9.719 -4.582 1.617) 10.866 6.852 ( -15.833 -0.309 1.742) 15.932 7.729 ( -0.686 -3.768 -4.149) 5.647 7.848 ( -2.451 2.568 -2.394) 4.282 8.333 ( 1.641 -8.881 -1.133) 9.102 8.496 ( -1.031 -2.565 0.092) 2.766 8.631 ( 11.485 -4.351 7.258) 14.265 8.923 ( 11.527 6.193 2.072) 13.248 9.127 ( -9.177 3.501 -0.111) 9.823 9.386 ( -3.899 6.876 -2.693) 8.351 9.912 ( 4.385 -0.247 -2.779) 5.197 9.997 ( 6.081 1.369 -1.458) 6.402 10.312 ( -1.794 -2.849 -2.127) 3.982 10.485 ( -10.809 -10.294 -3.947) 15.440 10.544 ( -6.681 -2.743 5.985) 9.380 10.858 ( -13.010 4.179 -0.101) 13.665 11.336 ( 1.323 -2.293 7.429) 7.887 11.412 ( -3.961 -0.566 -9.645) 10.443 11.737 ( -0.989 -2.771 4.291) 5.203 11.843 ( -6.535 -0.558 -3.150) 7.276 14.939 ( -0.286 0.283 1.632) 1.681 15.045 ( 0.658 5.140 -2.359) 5.693 20.291 ( 1.068 -0.266 -0.128) 1.108 20.540 ( -3.112 2.680 1.502) 4.373 20.929 ( -6.301 0.615 7.276) 9.645 21.148 ( -0.348 1.299 -6.690) 6.824 21.213 ( 10.543 15.098 -6.814) 19.635 21.938 ( 0.741 4.405 11.832) 12.647 22.976 ( 18.458 -4.511 -3.634) 19.345 23.561 ( 18.400 -11.103 -0.735) 21.503 25.104 ( -15.728 -3.581 2.112) 16.268 25.182 ( -13.762 0.116 -0.478) 13.771 28.222 ( -0.530 -0.190 -2.397) 2.462 28.470 ( 1.848 -6.112 0.627) 6.416 ======================= Grid point 93 (34/95) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -5.183 4.082 21.516) 22.505 0.751 ( -17.718 7.334 18.037) 26.326 1.305 ( -27.079 14.602 21.561) 37.568 1.432 ( -21.370 6.402 -9.180) 24.123 1.628 ( -6.374 7.547 -18.550) 21.017 2.205 ( 3.698 -0.128 5.857) 6.928 2.297 ( 6.246 5.632 -0.807) 8.449 2.549 ( -2.832 0.825 5.478) 6.221 2.564 ( -0.552 2.837 -14.079) 14.373 2.987 ( -0.897 -3.277 -3.752) 5.061 3.006 ( 3.117 -3.006 2.212) 4.863 3.068 ( 3.356 1.232 -0.426) 3.600 3.151 ( 2.257 -3.511 2.093) 4.669 3.264 ( -0.309 3.113 -1.439) 3.444 3.284 ( 1.712 2.094 7.256) 7.744 3.707 ( 1.227 -1.290 -11.360) 11.498 3.774 ( 3.417 -3.461 -0.068) 4.864 3.904 ( 4.726 0.300 0.590) 4.773 3.916 ( 5.011 -1.303 -3.942) 6.507 4.011 ( 11.786 0.562 3.233) 12.234 4.132 ( 7.025 -2.376 -3.348) 8.137 4.191 ( 3.336 -0.146 -2.557) 4.206 4.290 ( 3.337 -9.573 2.731) 10.499 4.420 ( 1.633 -5.265 0.806) 5.571 4.652 ( -4.623 -3.003 6.139) 8.251 4.790 ( 3.152 1.894 -2.283) 4.328 4.838 ( 2.664 3.561 -1.203) 4.607 4.869 ( -0.483 -0.237 0.916) 1.062 4.973 ( -3.874 0.639 1.477) 4.195 5.050 ( 0.759 -0.328 -1.091) 1.369 5.112 ( -4.214 1.536 1.601) 4.762 5.226 ( 4.142 3.192 -3.479) 6.281 5.439 ( 9.294 -2.683 -1.668) 9.816 5.595 ( -0.859 -1.803 -4.927) 5.316 5.655 ( -15.198 1.953 1.669) 15.413 5.837 ( -6.624 -0.127 -9.338) 11.449 6.026 ( -12.331 -0.278 20.418) 23.854 6.052 ( -0.242 1.262 -0.511) 1.383 6.609 ( -10.226 -2.182 1.398) 10.549 6.683 ( -3.991 -1.073 -4.725) 6.277 7.771 ( 0.753 -1.525 -0.753) 1.859 7.818 ( 3.039 3.682 -0.683) 4.823 8.353 ( -7.886 -6.085 14.057) 17.229 8.629 ( 8.489 -3.919 -16.701) 19.140 8.746 ( -15.726 -4.047 11.247) 19.753 8.981 ( 4.807 3.224 -7.639) 9.584 9.050 ( 8.598 3.753 0.164) 9.383 9.181 ( 0.822 7.555 1.236) 7.700 9.967 ( -0.270 -2.067 -4.209) 4.697 10.093 ( -0.783 -1.321 1.537) 2.173 10.303 ( -9.942 -10.523 3.067) 14.798 10.425 ( -3.938 -3.315 -2.870) 5.894 10.441 ( -2.540 0.317 -0.256) 2.573 10.554 ( -13.394 2.947 -3.539) 14.164 11.350 ( -1.107 -0.600 -8.006) 8.105 11.358 ( -2.154 -1.296 3.697) 4.470 11.733 ( -2.119 1.033 3.850) 4.515 11.787 ( 0.707 -2.598 -1.188) 2.943 14.930 ( -0.531 0.338 1.535) 1.660 14.996 ( 1.056 7.669 -3.457) 8.478 20.332 ( 3.079 -1.403 1.658) 3.768 20.458 ( -2.525 2.299 0.295) 3.428 20.829 ( -4.314 0.856 8.710) 9.758 21.124 ( 1.454 2.072 -8.459) 8.829 21.292 ( 17.049 16.737 3.779) 24.189 21.908 ( -2.399 2.715 9.725) 10.378 23.368 ( 17.212 -4.883 1.161) 17.929 23.994 ( 15.518 -9.430 -7.242) 19.549 24.846 ( -15.580 -4.958 1.243) 16.397 24.905 ( -14.986 0.473 -0.358) 14.998 28.236 ( 2.442 0.008 -3.335) 4.133 28.544 ( -4.963 -9.814 -4.122) 11.745 ======================= Grid point 95 (35/95) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 5.634 0.000 7.227) 9.164 1.115 ( 15.610 0.000 13.738) 20.795 1.544 ( -6.214 -0.000 -13.390) 14.761 1.718 ( 21.917 0.000 12.081) 25.026 1.861 ( 13.779 0.000 -10.896) 17.566 2.175 ( 25.571 0.000 1.584) 25.620 2.234 ( -2.197 -0.000 -1.133) 2.472 2.640 ( 4.354 0.000 15.216) 15.827 2.811 ( -1.750 -0.000 -4.770) 5.081 2.896 ( -0.464 -0.000 -8.531) 8.543 2.914 ( -1.651 -0.000 -2.879) 3.319 3.002 ( -3.275 -0.000 -1.834) 3.754 3.096 ( 2.714 0.000 3.394) 4.345 3.231 ( -3.297 -0.000 6.524) 7.309 3.328 ( 6.355 0.000 -3.396) 7.205 3.563 ( -12.712 -0.000 -0.670) 12.730 3.738 ( -5.705 -0.000 -0.990) 5.790 3.783 ( -7.660 -0.000 3.278) 8.332 3.870 ( -8.911 -0.000 -1.681) 9.068 3.898 ( -2.408 -0.000 -6.502) 6.933 3.990 ( -8.955 -0.000 -0.949) 9.006 4.029 ( -10.647 -0.000 -9.030) 13.961 4.209 ( -0.771 -0.000 3.267) 3.357 4.299 ( -1.886 -0.000 0.362) 1.921 4.659 ( -0.269 -0.000 2.656) 2.669 4.773 ( -3.390 -0.000 -1.120) 3.570 4.842 ( -6.077 -0.000 6.102) 8.612 4.992 ( 0.161 0.000 -5.936) 5.938 5.005 ( 2.560 0.000 1.032) 2.760 5.047 ( 3.218 0.000 -2.850) 4.299 5.050 ( 1.002 0.000 5.209) 5.305 5.066 ( 2.977 0.000 -0.810) 3.086 5.367 ( -0.441 -0.000 2.581) 2.619 5.511 ( 6.009 0.000 -9.793) 11.490 5.781 ( 11.566 0.000 0.459) 11.575 6.062 ( 11.179 0.000 -1.093) 11.233 6.206 ( 0.705 0.000 2.973) 3.056 6.613 ( 4.296 0.000 9.684) 10.594 6.730 ( -7.837 -0.000 -1.049) 7.907 6.807 ( 15.565 0.000 0.837) 15.587 7.826 ( 14.657 0.000 -7.691) 16.553 7.850 ( 4.878 0.000 0.103) 4.880 8.310 ( -5.444 -0.000 5.968) 8.078 8.431 ( 11.815 0.000 -1.858) 11.960 8.798 ( -8.967 -0.000 0.678) 8.993 8.865 ( -22.751 -0.000 4.400) 23.173 9.017 ( 3.284 0.000 3.029) 4.467 9.296 ( 1.368 0.000 -7.136) 7.266 9.989 ( -3.762 -0.000 -0.740) 3.834 10.087 ( -10.432 -0.000 -0.660) 10.453 10.417 ( 11.898 0.000 -11.814) 16.767 10.516 ( 3.926 0.000 5.581) 6.823 10.546 ( 11.444 0.000 -0.211) 11.446 10.927 ( 11.323 0.000 -1.541) 11.427 11.074 ( 2.207 0.000 1.388) 2.607 11.577 ( -2.804 -0.000 3.665) 4.614 11.616 ( 4.119 0.000 -1.963) 4.562 11.933 ( 4.875 0.000 -1.419) 5.078 14.899 ( 0.683 0.000 1.069) 1.269 15.016 ( 1.683 0.000 -0.707) 1.825 20.402 ( -0.240 -0.000 -3.662) 3.670 20.482 ( 1.184 0.000 4.910) 5.050 20.726 ( 1.432 0.000 1.350) 1.968 21.191 ( -2.056 -0.000 -1.953) 2.836 21.405 ( -2.608 -0.000 -11.273) 11.571 22.064 ( -13.045 -0.000 24.577) 27.824 23.039 ( -12.532 -0.000 -20.727) 24.221 23.297 ( -15.898 -0.000 10.664) 19.143 25.015 ( 16.668 0.000 1.675) 16.752 25.241 ( 15.398 0.000 0.667) 15.413 28.275 ( 5.553 0.000 -6.943) 8.890 28.368 ( -1.644 -0.000 4.599) 4.884 ======================= Grid point 96 (36/95) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -0.526 -11.553 -5.053) 12.621 1.392 ( 11.455 -3.302 5.810) 13.262 1.597 ( 11.834 2.794 1.650) 12.271 1.899 ( 3.397 -4.403 -9.275) 10.814 2.236 ( 11.615 -7.801 18.014) 22.810 2.309 ( 12.179 5.264 -13.405) 18.861 2.469 ( 1.872 -2.692 3.280) 4.638 2.673 ( -7.781 2.765 3.669) 9.036 2.698 ( -2.412 3.319 0.866) 4.193 2.773 ( -2.236 -1.649 -2.873) 3.997 2.903 ( 1.826 -1.380 -2.458) 3.359 3.116 ( 1.161 3.332 1.450) 3.815 3.173 ( 3.332 -3.474 2.155) 5.274 3.243 ( 2.414 -2.798 5.203) 6.382 3.379 ( 1.657 0.193 -0.014) 1.669 3.427 ( -2.487 -0.571 -0.697) 2.645 3.581 ( -8.314 0.266 -5.755) 10.115 3.645 ( -10.032 1.483 3.227) 10.642 3.692 ( -3.088 -1.716 1.398) 3.800 3.787 ( -1.751 -1.309 -3.938) 4.505 3.896 ( -4.450 0.359 -1.453) 4.695 3.951 ( 1.728 1.292 -9.869) 10.102 4.203 ( -0.157 4.367 1.191) 4.529 4.279 ( 1.110 -1.451 0.667) 1.945 4.619 ( -0.778 6.163 0.472) 6.230 4.701 ( -4.044 1.921 0.451) 4.499 4.758 ( -1.694 -1.145 -0.033) 2.045 4.951 ( -1.434 2.335 1.079) 2.945 4.997 ( -0.453 0.061 -4.541) 4.564 5.090 ( 3.026 3.042 1.291) 4.481 5.132 ( 1.783 -4.714 -0.286) 5.048 5.188 ( 4.583 -5.174 1.280) 7.030 5.360 ( -0.652 1.445 4.814) 5.069 5.551 ( -0.809 -0.629 -7.010) 7.085 5.943 ( 5.187 -0.642 0.341) 5.238 6.186 ( 1.712 5.397 -0.978) 5.745 6.231 ( 0.757 -1.519 4.733) 5.028 6.470 ( -9.482 -1.860 3.896) 10.419 6.867 ( 16.425 1.931 -3.459) 16.896 7.153 ( 20.354 -0.247 -1.282) 20.396 7.978 ( 5.462 1.877 1.484) 5.963 8.006 ( 2.258 -0.589 1.126) 2.591 8.186 ( -1.157 0.292 -2.085) 2.402 8.395 ( -21.693 2.961 3.458) 22.166 8.620 ( 6.823 3.128 -0.599) 7.530 8.712 ( -2.334 -0.852 1.080) 2.709 9.139 ( -4.814 1.171 1.657) 5.224 9.264 ( 2.952 -8.293 2.667) 9.198 9.863 ( -10.757 1.934 -7.341) 13.166 9.943 ( 0.601 -1.066 -2.650) 2.919 10.494 ( -1.274 2.626 3.405) 4.485 10.561 ( 4.484 6.857 -0.597) 8.215 10.768 ( 11.079 1.525 -5.182) 12.326 10.965 ( -1.046 -7.534 0.356) 7.615 11.340 ( 15.867 0.660 5.184) 16.705 11.534 ( -1.045 2.194 4.779) 5.362 11.646 ( -0.733 -0.317 -2.139) 2.283 12.000 ( 1.833 -0.666 -4.377) 4.791 14.928 ( 2.199 0.113 2.136) 3.068 15.044 ( 0.330 -1.525 -1.711) 2.316 20.381 ( -1.185 0.696 -5.181) 5.360 20.508 ( 1.301 -0.221 8.210) 8.316 20.805 ( 5.077 -2.803 -3.179) 6.614 21.147 ( -2.800 -2.291 -0.958) 3.743 21.412 ( 5.237 5.817 -7.396) 10.769 21.945 ( -6.186 -8.147 19.394) 21.927 22.782 ( -11.504 1.882 -20.054) 23.196 22.993 ( -15.177 2.881 9.986) 18.395 25.271 ( 10.125 -0.778 0.744) 10.182 25.468 ( 9.507 1.598 0.510) 9.654 28.322 ( -2.212 0.646 1.976) 3.035 28.335 ( 1.435 0.821 -2.825) 3.274 ======================= Grid point 97 (37/95) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 14.333 -9.537 1.602) 17.291 1.633 ( 9.877 -4.955 -1.279) 11.124 1.751 ( 6.650 3.680 0.882) 7.651 2.048 ( 7.286 -2.780 -1.050) 7.869 2.221 ( -9.800 5.743 7.419) 13.567 2.412 ( 1.236 3.009 -4.713) 5.727 2.451 ( -4.517 -2.672 5.484) 7.591 2.609 ( -3.137 5.463 -5.043) 8.069 2.658 ( 1.900 -0.066 -3.737) 4.193 2.707 ( -2.951 -8.391 2.238) 9.172 2.985 ( 2.487 -4.753 -3.587) 6.453 3.122 ( 3.087 -0.084 2.340) 3.875 3.215 ( 0.311 -0.384 0.358) 0.611 3.282 ( 0.615 0.843 2.174) 2.411 3.299 ( -1.902 0.590 1.158) 2.303 3.418 ( -5.512 -1.544 2.701) 6.330 3.525 ( 0.802 -0.737 1.045) 1.510 3.644 ( 4.153 -2.171 0.221) 4.692 3.671 ( -0.590 -1.956 1.236) 2.387 3.807 ( 0.573 1.518 -4.292) 4.588 3.831 ( -1.190 -1.438 0.985) 2.110 3.977 ( 0.631 -1.488 -6.554) 6.750 4.145 ( 1.329 7.292 0.378) 7.422 4.330 ( 0.711 -0.654 2.893) 3.050 4.529 ( -1.184 6.258 3.181) 7.119 4.656 ( 0.918 6.710 -3.436) 7.595 4.770 ( 3.660 -1.959 -2.566) 4.880 4.942 ( 1.297 -0.016 -2.852) 3.133 4.950 ( -1.379 4.078 -2.026) 4.758 5.110 ( 0.321 -1.312 0.202) 1.365 5.182 ( -1.575 -4.417 0.857) 4.767 5.278 ( -1.722 -0.272 2.223) 2.825 5.359 ( 4.286 -2.258 1.786) 5.163 5.507 ( -4.242 -1.422 -3.270) 5.542 6.010 ( 1.350 -1.715 -0.682) 2.286 6.086 ( -5.982 3.488 1.491) 7.083 6.217 ( -0.614 -0.644 0.701) 1.132 6.365 ( -5.933 -0.268 1.725) 6.184 7.221 ( 21.518 0.819 -2.759) 21.710 7.461 ( 7.380 -0.177 0.988) 7.448 7.788 ( -14.323 0.848 5.824) 15.485 7.960 ( -12.568 -1.141 -7.570) 14.716 8.189 ( 5.065 3.682 -0.313) 6.270 8.347 ( 14.076 -1.539 0.749) 14.180 8.642 ( 2.267 3.354 4.376) 5.962 8.669 ( -6.393 2.146 -0.446) 6.759 8.879 ( -17.741 -5.134 9.199) 20.633 9.474 ( 7.955 -0.347 -2.324) 8.295 9.698 ( -2.683 1.642 -11.284) 11.714 10.022 ( 3.434 -4.947 -3.675) 7.055 10.382 ( -6.122 1.266 8.037) 10.182 10.579 ( 4.702 8.048 -1.629) 9.462 10.863 ( 1.483 0.300 -1.889) 2.421 11.064 ( 1.311 -6.217 1.919) 6.637 11.488 ( -0.167 4.111 -0.530) 4.149 11.559 ( 5.619 1.801 2.425) 6.379 11.616 ( -0.876 -0.941 4.165) 4.359 12.005 ( -2.613 -3.181 -5.461) 6.839 14.969 ( 2.233 1.348 2.020) 3.300 15.059 ( -0.232 -2.225 -1.650) 2.779 20.343 ( -1.464 0.789 -5.145) 5.408 20.553 ( 1.945 -1.138 9.308) 9.577 20.939 ( 6.237 -2.473 -5.321) 8.563 21.138 ( -0.798 -2.498 -0.653) 2.702 21.426 ( 5.386 11.126 -1.257) 12.425 22.012 ( -0.211 -12.776 10.570) 16.583 22.578 ( -5.617 2.315 -15.511) 16.658 22.723 ( -10.216 3.824 7.928) 13.485 25.402 ( 2.755 -1.487 -0.114) 3.133 25.561 ( 2.388 1.912 0.626) 3.123 28.273 ( -2.469 -0.171 0.962) 2.656 28.338 ( 0.157 1.115 -1.115) 1.585 ======================= Grid point 98 (38/95) ======================= q-point: (-0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 8.748 3.035 2.942) 9.715 1.792 ( 2.159 4.099 0.941) 4.727 1.868 ( 7.718 -4.944 0.329) 9.171 1.950 ( -5.346 4.618 1.375) 7.197 2.200 ( -5.794 5.776 -2.240) 8.482 2.248 ( 3.278 -2.852 -0.735) 4.407 2.472 ( 2.001 2.588 -4.650) 5.686 2.521 ( 3.235 2.438 1.245) 4.238 2.746 ( -4.530 -4.016 -0.910) 6.122 2.782 ( 7.563 -9.124 2.937) 12.209 3.043 ( -2.744 3.297 2.078) 4.767 3.183 ( 0.365 1.665 1.895) 2.549 3.216 ( 4.136 -4.437 -2.130) 6.429 3.257 ( -2.197 -3.030 0.044) 3.742 3.311 ( 2.193 -2.182 -3.716) 4.835 3.436 ( 0.546 -1.285 1.373) 1.958 3.531 ( -0.481 -0.048 3.004) 3.043 3.622 ( 2.253 0.676 0.049) 2.353 3.715 ( 0.703 7.066 2.602) 7.562 3.773 ( -1.915 1.374 -1.581) 2.838 3.875 ( 0.092 -0.732 6.056) 6.101 3.974 ( -2.419 -2.711 -4.783) 6.007 4.142 ( 2.817 -2.182 -1.564) 3.891 4.328 ( 0.874 3.084 -1.927) 3.740 4.460 ( -1.938 7.456 2.446) 8.083 4.538 ( -0.624 7.951 1.243) 8.071 4.856 ( -1.765 3.819 -1.560) 4.487 4.889 ( 3.502 -3.294 -0.014) 4.808 5.003 ( 2.238 1.103 -5.300) 5.858 5.137 ( -0.684 -4.896 -2.325) 5.463 5.163 ( -2.024 -1.312 -1.942) 3.097 5.241 ( -1.625 -1.202 2.053) 2.881 5.413 ( -4.978 0.675 -1.208) 5.167 5.489 ( 2.830 -4.545 1.245) 5.497 5.981 ( -2.440 -1.916 -1.604) 3.492 6.063 ( 1.543 -3.107 -0.955) 3.598 6.211 ( -2.248 0.670 1.154) 2.614 6.239 ( -7.131 -1.860 4.756) 8.772 7.315 ( -17.028 1.659 -1.490) 17.173 7.428 ( -9.499 0.679 -0.680) 9.548 7.671 ( 12.821 0.102 2.702) 13.103 7.865 ( -8.651 -5.060 -1.267) 10.102 8.200 ( 0.657 2.186 -1.569) 2.769 8.496 ( -5.093 -2.257 2.101) 5.954 8.543 ( -5.480 -0.213 -4.347) 6.998 8.685 ( 0.714 2.042 10.690) 10.906 8.809 ( 17.828 -1.557 1.418) 17.952 9.520 ( 0.056 4.243 -2.518) 4.935 9.711 ( 4.368 -0.301 -8.719) 9.756 10.083 ( -0.705 -0.971 -5.441) 5.571 10.339 ( -1.084 -4.449 11.072) 11.981 10.553 ( -1.552 3.133 -2.481) 4.287 10.832 ( -3.740 2.712 0.769) 4.683 11.092 ( -2.605 -3.065 1.600) 4.329 11.424 ( -1.936 4.337 -2.081) 5.185 11.532 ( -3.266 -0.613 -2.410) 4.105 11.663 ( 0.708 -0.346 6.338) 6.386 11.969 ( -5.559 -5.442 -3.241) 8.428 14.974 ( -0.364 0.981 -0.335) 1.098 15.088 ( 1.706 -0.640 0.443) 1.875 20.308 ( -0.896 0.831 -3.795) 3.987 20.607 ( 1.829 -0.493 8.594) 8.801 21.053 ( 3.765 -1.092 -5.170) 6.488 21.153 ( 0.257 -0.744 -0.404) 0.885 21.411 ( 6.357 11.818 -1.085) 13.463 22.120 ( -0.022 -3.532 4.850) 6.000 22.536 ( 1.383 0.511 -4.786) 5.008 22.613 ( 2.163 -4.152 1.690) 4.978 25.402 ( -4.761 -2.222 -0.478) 5.276 25.525 ( -4.517 0.935 0.627) 4.655 28.239 ( -1.693 -0.809 -0.295) 1.900 28.329 ( -0.287 -0.070 0.326) 0.440 ======================= Grid point 99 (39/95) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -6.886 10.420 -7.893) 14.775 1.657 ( -5.487 10.036 7.026) 13.424 1.884 ( 5.548 3.490 0.252) 6.560 1.993 ( -0.849 8.241 -1.460) 8.412 2.211 ( 12.961 -2.338 3.949) 13.749 2.350 ( -4.270 4.548 -6.158) 8.766 2.485 ( 4.741 -4.377 -1.666) 6.664 2.634 ( 2.628 -2.895 -0.997) 4.035 2.691 ( -0.099 -4.529 -0.636) 4.575 2.902 ( -2.639 7.465 2.996) 8.465 3.035 ( 6.693 0.542 3.866) 7.748 3.109 ( -4.385 -0.592 0.417) 4.444 3.206 ( -2.976 -1.631 5.021) 6.060 3.300 ( -8.395 -1.098 0.833) 8.507 3.398 ( -0.411 -0.095 -0.365) 0.558 3.463 ( 6.774 -10.575 -0.029) 12.559 3.565 ( 4.087 -1.542 2.759) 5.167 3.607 ( -3.016 13.608 -0.926) 13.969 3.641 ( 2.602 6.182 -3.052) 7.369 3.769 ( 5.642 -2.275 0.533) 6.106 3.865 ( 1.972 0.655 1.526) 2.579 3.944 ( -2.107 -0.410 -4.152) 4.674 4.200 ( -0.580 2.082 -3.959) 4.510 4.293 ( -1.336 2.694 1.073) 3.193 4.390 ( 5.306 1.736 -0.659) 5.621 4.564 ( 3.988 -2.438 3.372) 5.764 4.824 ( 0.166 0.982 -3.569) 3.706 4.944 ( -2.720 0.754 0.689) 2.906 4.980 ( 0.867 -2.022 2.737) 3.511 5.134 ( -2.605 -0.863 -3.654) 4.570 5.156 ( -0.181 -0.462 -2.877) 2.920 5.251 ( -0.536 -2.796 -0.328) 2.866 5.323 ( -2.586 0.504 -1.459) 3.012 5.541 ( -1.512 -3.553 0.714) 3.927 5.998 ( -2.070 -2.582 -6.406) 7.210 6.090 ( -3.816 -3.081 4.598) 6.723 6.137 ( -3.722 -7.962 2.546) 9.150 6.175 ( -4.227 -0.286 2.822) 5.091 6.950 ( -18.969 0.495 0.938) 18.998 7.167 ( -16.874 -0.058 -0.744) 16.891 7.656 ( -12.144 -7.460 -2.088) 14.405 7.922 ( 6.830 1.160 1.695) 7.133 8.173 ( -3.341 -1.222 -0.952) 3.682 8.381 ( -2.389 -1.486 -4.151) 5.014 8.543 ( 0.814 -0.629 4.390) 4.509 8.785 ( 11.242 1.063 7.261) 13.425 9.201 ( 18.728 -0.482 -3.155) 18.998 9.415 ( -5.373 4.322 1.458) 7.048 9.824 ( 5.763 -2.721 -3.882) 7.462 10.052 ( 0.175 3.536 -6.282) 7.211 10.348 ( -6.379 -5.370 8.056) 11.594 10.457 ( -5.754 0.865 -3.871) 6.989 10.670 ( -8.906 3.463 2.923) 9.993 11.074 ( -2.646 -2.540 -0.153) 3.671 11.331 ( -3.518 3.083 -0.851) 4.754 11.473 ( -3.472 -0.291 -3.466) 4.914 11.655 ( -3.416 -3.700 4.559) 6.793 11.897 ( -7.579 -5.195 -1.011) 9.244 14.952 ( -1.140 -0.102 -0.634) 1.308 15.123 ( 2.495 1.976 0.351) 3.202 20.290 ( 0.061 0.775 -1.880) 2.035 20.633 ( 0.670 1.558 5.928) 6.166 21.057 ( -3.173 0.968 -1.799) 3.773 21.169 ( 2.192 1.475 -0.227) 2.652 21.448 ( 11.014 12.933 -5.954) 18.000 22.096 ( -0.478 5.017 5.816) 7.696 22.613 ( 8.317 -1.708 -1.945) 8.711 22.873 ( 12.208 -13.768 0.269) 18.403 25.272 ( -11.554 -2.668 -0.033) 11.858 25.386 ( -10.106 -0.607 0.112) 10.125 28.223 ( -1.013 -0.879 -1.250) 1.834 28.334 ( -0.358 -2.166 1.251) 2.527 ======================= Grid point 100 (40/95) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -5.596 13.279 -3.984) 14.951 1.390 ( -10.861 14.092 9.614) 20.223 1.852 ( -4.546 11.696 -2.456) 12.786 2.009 ( 1.559 2.936 -2.682) 4.271 2.113 ( -4.642 10.174 -6.457) 12.913 2.416 ( 9.250 1.969 -1.304) 9.547 2.566 ( -3.010 7.251 5.313) 9.480 2.619 ( -6.978 4.495 4.326) 9.360 2.743 ( -9.822 7.142 5.722) 13.424 2.768 ( -0.249 -6.640 -0.565) 6.668 2.887 ( 2.188 -3.671 -7.778) 8.875 3.011 ( -4.459 4.741 0.732) 6.549 3.185 ( -0.797 -0.973 8.686) 8.776 3.305 ( -2.520 7.113 5.319) 9.233 3.412 ( 8.384 1.402 -2.735) 8.930 3.532 ( 7.103 0.590 -5.686) 9.118 3.661 ( 3.907 -7.724 -2.631) 9.047 3.727 ( 9.565 1.116 -1.201) 9.705 3.746 ( 8.592 -6.758 0.409) 10.940 3.865 ( -0.750 2.803 -1.466) 3.251 3.883 ( 2.727 -0.141 -0.817) 2.850 3.955 ( 6.249 -1.376 -4.578) 7.868 4.211 ( 2.327 0.329 0.784) 2.478 4.252 ( -0.292 -1.553 0.358) 1.620 4.499 ( 3.354 -3.156 0.961) 4.704 4.694 ( 4.570 -5.268 4.859) 8.500 4.800 ( -2.531 -0.205 -2.489) 3.556 4.891 ( -0.338 0.336 2.631) 2.674 4.993 ( -0.682 1.785 0.861) 2.096 5.102 ( -1.083 -0.823 -1.779) 2.239 5.170 ( 1.145 -1.366 -0.460) 1.840 5.249 ( -1.592 -1.365 -2.667) 3.392 5.315 ( 1.134 -0.538 -3.695) 3.902 5.529 ( -2.858 -3.681 -3.047) 5.568 5.885 ( -8.985 -2.811 0.106) 9.416 5.990 ( -13.085 -1.379 -0.605) 13.171 6.119 ( -0.711 -2.240 -1.960) 3.060 6.150 ( -6.363 -3.964 7.891) 10.884 6.663 ( -13.208 -5.301 3.597) 14.680 6.826 ( -18.960 -2.257 2.290) 19.231 7.624 ( 0.755 -6.086 -6.221) 8.736 7.899 ( -3.112 2.127 -5.913) 7.012 8.169 ( -1.787 -6.907 3.580) 7.982 8.430 ( 0.539 -3.338 -0.039) 3.382 8.590 ( 6.159 -0.372 5.752) 8.435 9.018 ( 12.848 3.236 5.707) 14.426 9.220 ( -6.710 4.878 -0.420) 8.307 9.448 ( 1.562 -0.113 -4.525) 4.789 9.922 ( 2.095 -0.000 -1.670) 2.680 10.050 ( 5.571 2.099 -6.846) 9.072 10.194 ( -13.986 -3.561 10.040) 17.581 10.377 ( -1.536 -0.848 -4.583) 4.907 10.513 ( -5.698 -0.216 2.660) 6.292 10.970 ( -8.713 4.868 -1.289) 10.064 11.275 ( -1.997 -3.071 2.655) 4.524 11.400 ( -4.299 -0.708 -5.880) 7.319 11.642 ( -2.997 -5.981 3.412) 7.509 11.800 ( -7.379 -4.125 -0.237) 8.457 14.939 ( -0.425 -0.365 0.454) 0.720 15.141 ( 2.785 4.084 -1.689) 5.223 20.292 ( 0.883 0.488 -0.175) 1.024 20.605 ( -1.188 3.663 1.817) 4.258 20.960 ( -4.151 2.815 3.004) 5.846 21.183 ( 1.257 2.574 -2.070) 3.535 21.543 ( 15.411 16.088 -8.134) 23.717 22.049 ( 1.055 6.316 7.232) 9.659 22.863 ( 13.494 -6.502 -1.047) 15.015 23.276 ( 14.113 -16.522 0.223) 21.730 25.037 ( -16.261 -2.854 1.383) 16.568 25.172 ( -13.575 -1.118 -0.956) 13.654 28.217 ( 0.039 -0.342 -2.463) 2.487 28.354 ( -1.822 -4.928 2.334) 5.749 ======================= Grid point 101 (41/95) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -1.803 14.053 12.711) 19.035 1.002 ( -14.521 16.927 11.554) 25.117 1.514 ( -16.667 8.677 -6.311) 19.822 1.782 ( -10.311 17.124 -8.127) 21.577 1.909 ( -9.797 21.988 6.500) 24.934 2.283 ( 3.135 9.556 4.407) 10.980 2.456 ( 3.469 9.593 0.671) 10.223 2.551 ( -3.491 -0.252 5.039) 6.135 2.694 ( 5.581 6.849 -11.025) 14.128 2.910 ( -2.242 -3.655 -0.140) 4.290 2.933 ( 7.188 -2.696 -2.020) 7.938 3.019 ( 4.204 -8.102 -3.896) 9.924 3.154 ( -3.022 7.151 4.405) 8.926 3.204 ( -3.094 -3.018 5.672) 7.132 3.473 ( 0.187 10.336 0.848) 10.373 3.672 ( 7.854 -1.448 -4.282) 9.062 3.731 ( 1.248 -1.190 -8.144) 8.325 3.831 ( 2.854 -6.127 -3.617) 7.666 3.910 ( 2.835 -1.588 -0.881) 3.367 3.985 ( 10.159 -5.092 1.032) 11.410 4.028 ( 5.695 -8.628 3.462) 10.902 4.096 ( 5.111 -3.195 -2.606) 6.567 4.219 ( 1.994 1.455 -0.135) 2.472 4.305 ( -0.464 -4.480 1.193) 4.659 4.574 ( 0.200 -3.369 4.523) 5.644 4.756 ( 0.486 -2.246 -0.566) 2.367 4.843 ( 2.690 -5.845 4.306) 7.742 4.900 ( -0.679 0.964 1.248) 1.717 4.981 ( 4.060 3.338 -2.629) 5.877 5.071 ( -3.734 -0.508 -0.226) 3.775 5.168 ( -2.131 2.488 -0.967) 3.416 5.263 ( 4.556 0.614 -3.655) 5.873 5.352 ( 0.544 -4.953 -2.710) 5.672 5.520 ( -3.827 -5.559 -2.952) 7.366 5.700 ( -13.047 1.735 3.706) 13.674 5.807 ( -5.222 -2.885 -6.530) 8.846 6.006 ( -11.278 -2.225 15.676) 19.439 6.090 ( 0.476 2.235 1.018) 2.502 6.549 ( -8.359 -4.458 0.599) 9.493 6.611 ( -4.681 -5.213 -6.660) 9.666 7.717 ( 2.013 -4.171 -1.884) 5.000 7.856 ( -0.342 -1.244 -5.627) 5.773 8.204 ( -2.636 -6.820 15.904) 17.504 8.517 ( 6.019 -6.413 -10.903) 14.008 8.658 ( -7.364 -2.952 6.543) 10.284 9.088 ( 5.299 5.794 0.973) 7.912 9.158 ( -1.297 6.151 -10.406) 12.158 9.332 ( -0.790 4.949 4.584) 6.792 9.909 ( -13.745 -9.370 7.289) 18.162 9.970 ( -4.789 2.881 0.888) 5.659 10.181 ( 4.759 -2.170 0.075) 5.231 10.390 ( 0.709 -0.988 -3.270) 3.489 10.473 ( 2.313 2.101 0.396) 3.150 10.689 ( -11.379 9.525 0.526) 14.849 11.288 ( -1.857 -4.885 2.163) 5.655 11.341 ( -1.809 -1.084 -5.486) 5.878 11.678 ( -0.861 -7.425 1.985) 7.734 11.720 ( -4.538 -3.294 -1.086) 5.711 14.940 ( 0.171 0.365 1.669) 1.717 15.145 ( 3.061 5.601 -5.905) 8.695 20.313 ( 1.597 -0.190 1.208) 2.011 20.527 ( -2.557 4.281 -1.314) 5.157 20.871 ( -2.385 3.666 6.972) 8.230 21.164 ( 0.225 2.707 -4.366) 5.142 21.706 ( 22.308 18.876 -7.468) 30.161 22.005 ( -0.310 6.676 5.883) 8.904 23.207 ( 13.441 -10.320 1.749) 17.036 23.683 ( 8.749 -19.372 -1.597) 21.316 24.755 ( -16.511 -2.848 4.072) 17.243 24.919 ( -12.948 0.453 -2.555) 13.206 28.235 ( 2.171 -0.096 -3.103) 3.789 28.344 ( -7.219 -7.644 3.352) 11.035 ======================= Grid point 102 (42/95) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 0.370 16.433 15.382) 22.512 0.758 ( 4.473 15.872 20.823) 26.561 1.251 ( 2.423 7.105 -5.826) 9.503 1.314 ( -4.511 30.821 23.093) 38.775 1.683 ( 2.144 12.490 -19.894) 23.587 2.212 ( -7.898 5.704 3.451) 10.335 2.491 ( -1.709 1.291 18.002) 18.129 2.502 ( 5.560 4.426 -6.506) 9.635 2.662 ( 4.928 8.324 -24.985) 26.793 2.924 ( -0.451 -2.924 -0.815) 3.068 3.038 ( -1.280 3.389 4.372) 5.678 3.089 ( 0.730 -5.998 2.856) 6.683 3.114 ( -8.578 -4.218 3.571) 10.204 3.195 ( 3.375 -7.059 -0.036) 7.824 3.345 ( -0.216 10.373 0.717) 10.400 3.746 ( -0.877 -0.652 -1.183) 1.610 3.808 ( 4.616 -2.289 -12.105) 13.156 3.920 ( 0.498 -3.760 -2.475) 4.529 3.995 ( 3.136 -0.203 -1.198) 3.363 4.082 ( -4.240 -2.643 -2.080) 5.412 4.154 ( -2.890 -3.895 3.217) 5.819 4.201 ( 2.693 -6.512 1.355) 7.176 4.234 ( -2.386 -4.253 2.916) 5.682 4.360 ( 1.296 -4.785 -0.919) 5.042 4.581 ( 0.245 -0.824 7.951) 7.998 4.847 ( 2.133 0.361 -3.516) 4.128 4.858 ( 0.792 -1.542 -1.758) 2.469 4.861 ( -4.388 -1.504 2.966) 5.505 4.993 ( -0.005 1.517 -0.930) 1.780 5.057 ( 1.032 1.943 1.200) 2.506 5.127 ( 4.694 4.890 -4.097) 7.920 5.316 ( -2.404 -1.362 -3.333) 4.329 5.379 ( -7.943 -2.858 2.411) 8.779 5.426 ( -9.948 1.506 5.154) 11.305 5.537 ( 3.426 -3.321 -1.681) 5.059 5.799 ( -1.258 0.255 -3.911) 4.116 5.916 ( 5.121 -5.426 11.127) 13.397 6.221 ( 12.030 -1.745 5.769) 13.455 6.487 ( -0.175 -1.134 -1.205) 1.664 6.665 ( 6.276 -2.406 -17.499) 18.746 7.754 ( -2.374 -2.556 0.234) 3.496 7.826 ( -6.870 -5.310 0.468) 8.695 8.246 ( -3.370 1.066 15.148) 15.555 8.467 ( -7.573 0.008 -0.813) 7.617 8.683 ( 11.230 -3.761 -9.045) 14.902 9.021 ( 0.143 -3.122 -12.933) 13.305 9.231 ( 5.886 2.684 7.107) 9.611 9.383 ( 2.413 2.439 2.727) 4.383 9.711 ( -6.403 -7.590 15.640) 18.526 9.942 ( -0.045 -1.862 0.999) 2.113 10.166 ( -1.024 9.188 1.104) 9.310 10.379 ( -3.749 -0.877 1.330) 4.073 10.494 ( 1.981 3.287 -0.513) 3.872 10.543 ( 5.410 4.093 -4.175) 7.966 11.274 ( -4.243 -2.354 0.967) 4.947 11.375 ( 4.719 -1.299 -4.106) 6.389 11.674 ( -2.863 -3.095 0.140) 4.219 11.771 ( 1.526 -6.082 -0.539) 6.294 14.930 ( -0.484 1.447 1.672) 2.263 15.111 ( 0.049 7.795 -9.990) 12.672 20.364 ( 2.309 -2.274 2.235) 3.937 20.449 ( -1.443 2.242 -1.922) 3.287 20.804 ( -1.538 4.100 7.892) 9.025 21.154 ( 1.326 0.439 -5.351) 5.531 21.835 ( -7.507 5.505 2.581) 9.660 22.081 ( 31.589 13.812 -14.165) 37.273 23.501 ( 3.763 -10.420 6.772) 12.984 23.823 ( -21.739 -17.882 -1.313) 28.179 24.538 ( -4.552 1.352 7.303) 8.711 24.760 ( 0.584 1.440 -3.228) 3.583 28.205 ( -12.458 -3.477 4.663) 13.749 28.298 ( 3.707 -0.574 -0.911) 3.860 ======================= Grid point 105 (43/95) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 19.051 0.000 0.519) 19.058 1.568 ( 10.498 0.000 0.556) 10.512 1.885 ( 13.147 0.000 4.447) 13.879 1.954 ( 4.856 0.000 -6.140) 7.828 2.319 ( 0.344 0.000 14.587) 14.591 2.350 ( -9.853 -0.000 3.898) 10.596 2.479 ( -8.561 -0.000 1.600) 8.709 2.537 ( 8.689 0.000 -8.629) 12.246 2.680 ( -2.400 -0.000 -7.727) 8.091 2.731 ( -5.236 -0.000 -3.069) 6.069 2.932 ( 2.657 0.000 -0.573) 2.718 3.152 ( 0.295 0.000 -2.298) 2.317 3.180 ( 2.108 0.000 2.192) 3.041 3.295 ( 2.659 0.000 4.986) 5.650 3.318 ( -9.285 -0.000 0.939) 9.333 3.394 ( 0.641 0.000 2.601) 2.679 3.478 ( 5.255 0.000 -3.516) 6.323 3.592 ( -0.379 -0.000 2.846) 2.871 3.672 ( -1.292 -0.000 1.674) 2.115 3.821 ( 2.671 0.000 -5.246) 5.886 3.827 ( -2.167 -0.000 3.572) 4.178 3.971 ( 0.260 0.000 -9.643) 9.647 4.265 ( -0.446 -0.000 10.240) 10.250 4.288 ( 3.455 0.000 -6.003) 6.926 4.637 ( -2.465 -0.000 -0.667) 2.553 4.694 ( 1.143 0.000 -0.629) 1.304 4.741 ( 4.152 0.000 -2.369) 4.781 4.951 ( 1.024 0.000 -1.615) 1.913 4.991 ( -0.115 -0.000 -3.293) 3.295 5.105 ( -0.644 -0.000 -0.746) 0.985 5.155 ( -1.038 -0.000 4.645) 4.760 5.241 ( 4.056 0.000 -0.238) 4.063 5.336 ( -2.690 -0.000 6.593) 7.121 5.484 ( -4.403 -0.000 -6.204) 7.607 5.992 ( 1.378 0.000 -0.574) 1.492 6.116 ( -10.069 -0.000 5.304) 11.381 6.223 ( -0.258 -0.000 -2.783) 2.795 6.355 ( -4.314 -0.000 0.564) 4.351 7.232 ( 20.859 0.000 -2.737) 21.038 7.457 ( 8.168 0.000 1.438) 8.293 7.798 ( -14.835 -0.000 6.093) 16.037 7.945 ( -13.261 -0.000 -7.415) 15.193 8.246 ( 3.208 0.000 -3.067) 4.438 8.314 ( 13.952 0.000 2.325) 14.145 8.678 ( 0.360 0.000 3.709) 3.727 8.716 ( -2.440 -0.000 -2.301) 3.354 8.801 ( -20.337 -0.000 11.919) 23.572 9.466 ( 11.973 0.000 -1.957) 12.132 9.718 ( -3.647 -0.000 -12.763) 13.274 9.965 ( 2.011 0.000 -0.268) 2.029 10.394 ( -6.505 -0.000 6.800) 9.410 10.735 ( 5.964 0.000 -6.647) 8.930 10.842 ( -4.385 -0.000 4.597) 6.353 10.960 ( 5.694 0.000 -2.106) 6.071 11.529 ( 1.007 0.000 0.000) 1.007 11.586 ( -4.754 -0.000 -4.076) 6.262 11.605 ( 8.357 0.000 14.341) 16.598 11.966 ( -4.459 -0.000 -7.909) 9.080 14.992 ( 3.956 0.000 3.380) 5.203 15.026 ( -1.292 -0.000 -2.954) 3.225 20.352 ( -1.586 -0.000 -5.665) 5.883 20.540 ( 1.919 0.000 9.204) 9.402 20.915 ( 7.616 0.000 -6.113) 9.766 21.114 ( 0.456 0.000 0.169) 0.487 21.611 ( 11.515 0.000 -7.203) 13.583 21.808 ( -4.552 -0.000 17.566) 18.146 22.603 ( -6.740 -0.000 -17.203) 18.476 22.764 ( -11.321 -0.000 9.136) 14.547 25.386 ( 2.652 0.000 -0.457) 2.691 25.581 ( 1.704 0.000 1.105) 2.031 28.271 ( -2.844 -0.000 1.003) 3.016 28.350 ( -0.435 -0.000 -1.207) 1.283 ======================= Grid point 106 (44/95) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 19.766 -2.293 5.421) 20.624 1.780 ( 10.523 -0.246 -3.874) 11.216 1.934 ( 2.787 6.710 2.936) 7.837 2.022 ( -6.488 -0.161 3.775) 7.508 2.220 ( 4.405 4.694 -1.135) 6.536 2.311 ( -5.220 -0.029 -1.360) 5.394 2.462 ( 5.748 -3.562 0.251) 6.766 2.553 ( -4.644 -2.091 3.618) 6.247 2.642 ( 0.477 -0.801 -2.866) 3.014 2.680 ( 0.585 -1.742 -1.886) 2.633 3.007 ( 4.010 -1.907 -2.565) 5.128 3.169 ( -6.627 -2.663 -1.605) 7.320 3.175 ( 2.007 -0.094 -0.131) 2.014 3.260 ( 3.929 1.063 2.277) 4.664 3.312 ( 0.012 0.923 -4.635) 4.726 3.465 ( 2.041 4.094 1.938) 4.968 3.525 ( 0.650 0.050 4.468) 4.516 3.622 ( -1.106 -0.772 -0.419) 1.412 3.685 ( 5.160 -8.764 1.498) 10.280 3.821 ( -0.262 1.549 -4.684) 4.940 3.829 ( 1.468 1.560 3.274) 3.913 3.960 ( -0.239 0.647 -5.193) 5.238 4.195 ( -3.893 2.881 9.822) 10.951 4.368 ( 3.918 0.880 -5.519) 6.826 4.584 ( 0.751 5.383 1.123) 5.550 4.689 ( -0.912 3.538 1.213) 3.850 4.822 ( 2.211 -1.635 -0.362) 2.774 4.962 ( -1.463 3.133 -3.371) 4.829 5.028 ( 6.099 -0.118 -7.732) 9.849 5.060 ( -5.882 -0.181 7.022) 9.162 5.110 ( -1.723 -2.338 0.858) 3.028 5.238 ( -1.773 2.012 -2.756) 3.846 5.359 ( -2.106 -6.470 0.220) 6.808 5.427 ( 0.002 -0.689 -1.075) 1.277 5.954 ( -6.168 -0.616 0.792) 6.249 5.999 ( -2.117 -2.323 0.031) 3.143 6.200 ( -2.285 -0.863 -1.884) 3.085 6.241 ( -7.871 0.804 3.636) 8.708 7.356 ( -14.073 2.000 -2.305) 14.400 7.425 ( -11.176 -0.823 0.486) 11.217 7.686 ( 12.247 1.132 2.595) 12.570 7.780 ( -10.608 -3.015 -1.053) 11.078 8.249 ( -0.951 2.143 -1.002) 2.550 8.443 ( -2.538 -2.154 0.778) 3.419 8.553 ( -10.950 0.684 -5.673) 12.352 8.672 ( 2.270 -1.719 15.063) 15.330 8.813 ( 18.296 0.875 -1.991) 18.425 9.594 ( 2.685 2.577 -4.539) 5.870 9.710 ( 2.725 0.070 -8.740) 9.155 10.009 ( 0.204 -3.700 2.511) 4.477 10.311 ( -2.295 0.048 5.976) 6.402 10.685 ( -2.158 9.090 0.400) 9.351 10.844 ( -1.361 -3.524 -3.003) 4.826 11.001 ( -3.480 -3.826 0.387) 5.187 11.477 ( -5.094 0.835 -5.252) 7.364 11.530 ( -1.041 0.620 4.483) 4.644 11.693 ( 0.540 2.726 8.318) 8.770 11.854 ( -8.103 -5.073 -6.528) 11.576 14.986 ( -2.138 0.259 -3.116) 3.788 15.078 ( 4.279 -0.294 3.135) 5.312 20.321 ( -0.914 0.392 -4.421) 4.531 20.598 ( 3.172 -0.311 8.868) 9.424 21.041 ( 5.481 -0.197 -7.733) 9.480 21.149 ( 2.817 0.065 0.928) 2.967 21.666 ( 5.688 13.378 4.300) 15.160 21.948 ( 7.640 -12.209 1.541) 14.485 22.520 ( -0.729 -0.325 -10.437) 10.468 22.608 ( -4.990 0.745 6.764) 8.438 25.368 ( -4.962 -0.954 -1.528) 5.279 25.539 ( -5.837 0.369 1.686) 6.087 28.228 ( -1.851 -0.315 -0.631) 1.980 28.328 ( -1.569 -0.010 0.702) 1.719 ======================= Grid point 107 (45/95) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -1.174 10.445 -3.264) 11.005 1.836 ( -1.583 6.370 -2.150) 6.907 1.939 ( 5.192 2.298 3.041) 6.440 2.096 ( 14.545 -6.037 1.285) 15.800 2.201 ( 1.581 10.240 1.643) 10.491 2.355 ( 6.416 -0.212 -0.797) 6.469 2.496 ( -3.637 1.146 -2.075) 4.342 2.588 ( 3.918 -0.135 1.568) 4.223 2.658 ( -1.473 -0.875 -0.114) 1.717 2.822 ( 8.427 -12.278 3.796) 15.368 3.041 ( -2.577 -0.239 -2.130) 3.352 3.092 ( -9.887 -2.039 0.876) 10.133 3.184 ( -2.314 0.993 3.953) 4.686 3.253 ( 4.915 -6.913 -4.334) 9.525 3.357 ( -7.102 3.282 -0.156) 7.825 3.363 ( 4.045 -0.895 -5.980) 7.275 3.595 ( 4.962 2.593 6.968) 8.938 3.709 ( 8.269 -1.726 -0.385) 8.456 3.747 ( -1.367 1.962 -4.377) 4.987 3.828 ( 2.671 7.621 -0.722) 8.108 3.873 ( 2.307 -2.527 6.987) 7.780 3.942 ( 0.018 1.451 -0.953) 1.736 4.159 ( 1.530 -1.667 -0.529) 2.324 4.367 ( -0.709 3.785 -0.507) 3.884 4.547 ( 1.798 8.629 -0.273) 8.819 4.622 ( 1.374 7.067 2.316) 7.563 4.844 ( -0.957 0.689 -2.518) 2.780 4.926 ( 1.268 -1.054 -1.829) 2.462 4.977 ( -5.189 -1.307 4.289) 6.858 5.073 ( 0.068 -0.638 1.011) 1.197 5.115 ( -1.709 -4.358 -7.619) 8.942 5.229 ( 0.614 0.349 -0.627) 0.944 5.312 ( -3.855 -1.518 -0.825) 4.225 5.458 ( -1.974 -4.121 1.136) 4.708 5.923 ( -0.528 -4.385 -6.091) 7.524 5.965 ( -8.341 -8.173 4.124) 12.384 6.062 ( -8.823 -0.163 3.815) 9.614 6.167 ( -2.556 -0.472 -0.983) 2.779 6.994 ( -20.533 3.488 1.060) 20.854 7.143 ( -20.173 -2.179 1.588) 20.353 7.537 ( -10.257 -4.269 -3.268) 11.580 7.939 ( 8.201 0.498 1.549) 8.361 8.169 ( -7.423 0.494 0.313) 7.446 8.360 ( -4.356 -0.714 -6.664) 7.993 8.519 ( 4.372 -1.475 3.524) 5.806 8.780 ( 8.573 -1.218 11.302) 14.237 9.192 ( 19.426 -0.119 -7.320) 20.760 9.519 ( -5.499 5.378 0.714) 7.725 9.781 ( 4.750 -1.484 -4.464) 6.685 10.032 ( -2.445 -4.158 4.516) 6.608 10.302 ( -0.087 0.094 1.040) 1.048 10.541 ( -4.362 7.375 -2.283) 8.867 10.755 ( -8.492 3.720 0.524) 9.286 10.962 ( -5.287 -8.299 -0.700) 9.865 11.376 ( -4.336 1.230 -6.707) 8.081 11.481 ( -3.699 1.475 3.405) 5.240 11.617 ( -5.302 -0.162 2.028) 5.679 11.772 ( -8.065 -6.847 2.048) 10.776 14.944 ( -2.022 -0.537 -2.497) 3.258 15.155 ( 4.095 1.192 2.022) 4.721 20.306 ( 0.110 0.690 -2.310) 2.413 20.660 ( 2.745 1.079 6.905) 7.509 21.085 ( 0.468 1.543 -6.425) 6.624 21.205 ( 3.896 1.794 0.869) 4.377 21.693 ( 10.640 11.439 0.976) 15.653 22.150 ( 4.903 -0.661 0.581) 4.981 22.572 ( 3.762 -2.859 -1.527) 4.966 22.636 ( 6.653 -7.963 1.041) 10.429 25.226 ( -11.356 -1.807 -1.908) 11.656 25.374 ( -11.552 -0.452 1.631) 11.675 28.208 ( -0.612 -0.507 -1.664) 1.844 28.301 ( -1.930 -1.147 1.879) 2.928 ======================= Grid point 108 (46/95) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -2.374 15.098 -4.300) 15.877 1.670 ( -5.813 13.034 4.955) 15.107 2.065 ( -2.009 8.478 -5.852) 10.496 2.151 ( 9.905 10.884 5.544) 15.725 2.300 ( -6.250 5.789 -5.905) 10.366 2.381 ( 4.960 -0.270 4.324) 6.585 2.455 ( 4.519 -13.941 -3.810) 15.142 2.631 ( -2.923 2.082 -1.062) 3.743 2.679 ( 4.363 -1.488 1.003) 4.717 2.844 ( -8.882 0.029 -2.862) 9.331 3.013 ( -2.945 -3.173 0.659) 4.379 3.107 ( -4.204 6.679 4.505) 9.088 3.193 ( 1.650 0.686 8.873) 9.051 3.221 ( 10.372 -4.841 2.795) 11.782 3.426 ( 2.119 -2.068 -1.748) 3.438 3.451 ( 3.765 -5.293 -2.887) 7.108 3.609 ( 1.386 -1.803 3.710) 4.352 3.733 ( 2.932 7.418 -4.474) 9.146 3.802 ( 6.559 4.656 -1.313) 8.150 3.888 ( 5.973 2.075 -0.831) 6.378 3.919 ( -0.880 1.759 -0.081) 1.968 3.951 ( 8.050 0.566 -0.768) 8.106 4.209 ( 1.499 -0.205 -5.449) 5.656 4.313 ( -0.353 4.899 2.287) 5.418 4.507 ( 1.995 4.477 0.272) 4.909 4.638 ( 3.755 0.406 3.649) 5.252 4.803 ( -2.907 0.905 -1.939) 3.610 4.879 ( -2.945 -1.193 3.061) 4.412 5.020 ( 3.007 -1.544 2.247) 4.059 5.054 ( -3.386 -1.782 -5.288) 6.527 5.123 ( -0.676 -3.171 0.556) 3.290 5.199 ( -1.791 -1.840 0.115) 2.571 5.308 ( 0.474 -0.671 -4.924) 4.992 5.437 ( -4.722 -5.114 -0.931) 7.023 5.813 ( -10.769 -4.480 4.120) 12.370 5.905 ( -10.959 -6.783 -0.923) 12.922 6.034 ( 1.934 -6.219 -6.905) 9.492 6.104 ( -6.650 -0.464 4.023) 7.786 6.594 ( -18.380 -1.341 4.180) 18.897 6.774 ( -19.905 -2.478 4.485) 20.554 7.515 ( 1.876 -4.486 -8.422) 9.725 7.925 ( -7.119 0.507 -7.764) 10.546 8.067 ( -2.555 -3.474 7.016) 8.235 8.379 ( 1.121 -1.642 1.317) 2.385 8.587 ( 3.178 -0.547 2.469) 4.062 9.034 ( 14.388 -1.257 10.110) 17.629 9.327 ( -7.666 6.051 2.821) 10.166 9.432 ( 4.263 -0.902 -11.951) 12.720 9.906 ( 6.286 -1.328 -2.480) 6.886 9.998 ( -5.237 -3.011 8.529) 10.452 10.275 ( -0.972 5.135 -4.755) 7.066 10.404 ( -2.087 3.995 -2.803) 5.308 10.538 ( -8.152 2.676 2.172) 8.851 10.958 ( -4.528 -6.580 -1.026) 8.053 11.267 ( -4.839 2.262 -4.671) 7.096 11.383 ( -5.733 -0.792 -0.766) 5.838 11.543 ( -4.677 -2.974 4.998) 7.463 11.685 ( -8.410 -7.120 1.776) 11.161 14.925 ( -0.557 -0.920 -0.523) 1.196 15.206 ( 3.231 2.495 -0.517) 4.115 20.307 ( 0.943 0.894 -0.169) 1.311 20.674 ( 0.327 3.041 2.188) 3.760 21.039 ( -0.941 4.685 -1.103) 4.904 21.247 ( 2.993 3.518 -0.203) 4.623 21.818 ( 14.467 11.373 -2.802) 18.614 22.174 ( 2.349 5.973 1.775) 6.659 22.728 ( 7.921 -6.885 1.297) 10.575 22.947 ( 11.319 -15.642 -0.415) 19.312 24.993 ( -14.987 -1.640 -0.785) 15.096 25.143 ( -13.898 -1.548 0.174) 13.985 28.210 ( 0.545 -0.287 -2.409) 2.487 28.280 ( -2.756 -2.622 2.807) 4.727 ======================= Grid point 109 (47/95) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -1.279 15.936 6.766) 17.360 1.372 ( -8.843 19.011 7.653) 22.320 1.710 ( -16.238 11.042 -5.507) 20.394 2.034 ( -4.693 10.268 -11.988) 16.467 2.284 ( 5.671 13.850 9.436) 17.693 2.541 ( -2.698 -0.443 -5.434) 6.083 2.563 ( -3.928 4.380 -3.821) 7.016 2.624 ( 5.094 7.009 3.792) 9.458 2.661 ( 5.715 -5.165 -0.017) 7.703 2.805 ( 4.779 -0.793 6.193) 7.863 2.945 ( 1.806 2.355 -3.261) 4.409 3.010 ( 0.536 3.816 -0.793) 3.934 3.188 ( -0.766 3.735 8.399) 9.224 3.336 ( -3.576 8.596 3.757) 10.039 3.535 ( 3.942 -12.520 2.493) 13.361 3.595 ( 4.859 -3.721 -5.970) 8.550 3.679 ( 4.669 1.395 -4.080) 6.356 3.778 ( 4.316 -7.928 -1.970) 9.239 3.840 ( -3.106 5.347 -2.418) 6.640 3.890 ( 1.628 0.796 1.119) 2.130 3.990 ( 8.520 1.038 -2.561) 8.956 4.074 ( 5.234 0.790 -4.069) 6.676 4.253 ( 2.389 0.170 -1.045) 2.613 4.275 ( 1.776 2.951 0.223) 3.451 4.528 ( 1.769 -1.711 2.654) 3.620 4.730 ( 2.694 -3.592 6.200) 7.655 4.732 ( -3.084 -0.796 -0.812) 3.287 4.872 ( -2.170 -3.307 1.943) 4.407 5.015 ( 1.363 -0.041 -4.341) 4.551 5.047 ( -3.595 -1.758 3.226) 5.141 5.154 ( 1.412 -3.168 1.470) 3.767 5.247 ( 3.380 -1.980 -3.674) 5.371 5.292 ( -2.445 -1.469 -4.329) 5.184 5.401 ( -4.722 -5.379 -3.383) 7.917 5.698 ( -8.969 -2.462 3.731) 10.021 5.742 ( -7.237 -3.267 -3.642) 8.736 5.927 ( -12.072 -5.703 12.312) 18.162 6.117 ( 1.867 -0.730 -2.922) 3.543 6.411 ( -7.279 -6.945 2.335) 10.328 6.539 ( -6.059 -2.474 -5.947) 8.843 7.622 ( 3.746 -4.734 -4.181) 7.343 7.782 ( -9.876 -5.130 -2.130) 11.331 8.112 ( 2.833 -2.837 12.870) 13.480 8.407 ( 0.698 -4.105 -2.124) 4.675 8.627 ( -2.284 -1.089 0.309) 2.549 9.202 ( 2.927 5.880 3.511) 7.447 9.240 ( -1.996 1.565 -8.476) 8.847 9.369 ( -0.598 -0.120 0.903) 1.089 9.826 ( -9.544 1.052 8.949) 13.125 10.098 ( 5.173 4.282 1.456) 6.872 10.147 ( -0.671 2.435 -5.262) 5.837 10.376 ( -0.979 -0.461 -1.005) 1.476 10.507 ( 5.508 0.983 -0.409) 5.610 10.855 ( -8.228 4.485 -0.945) 9.419 11.193 ( -2.264 -2.928 -0.453) 3.729 11.309 ( -3.203 -2.103 -2.928) 4.823 11.513 ( -4.429 -7.815 5.081) 10.320 11.624 ( -4.833 -6.194 -1.137) 7.938 14.938 ( 0.922 -0.519 1.835) 2.118 15.224 ( 1.743 2.851 -4.251) 5.407 20.322 ( 1.481 0.881 1.537) 2.309 20.615 ( -2.436 4.329 -2.788) 5.697 20.977 ( 0.442 6.785 4.567) 8.190 21.238 ( 0.699 4.625 -2.084) 5.121 21.981 ( 13.124 9.615 -0.637) 16.282 22.156 ( 4.146 8.008 -2.176) 9.276 22.985 ( 8.919 -11.701 2.813) 14.979 23.297 ( 6.411 -18.621 -0.639) 19.704 24.730 ( -13.144 -0.043 1.940) 13.286 24.913 ( -11.450 -1.081 -2.444) 11.757 28.228 ( -0.233 -1.056 -0.511) 1.196 28.248 ( -2.759 -2.263 1.548) 3.889 ======================= Grid point 110 (48/95) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 1.736 16.932 12.074) 20.868 1.116 ( 4.450 19.959 12.253) 23.839 1.419 ( 0.714 10.582 -6.707) 12.549 1.851 ( -1.204 13.762 -15.001) 20.393 2.072 ( -3.104 29.173 14.969) 32.936 2.367 ( -5.274 9.490 1.507) 10.962 2.519 ( -0.626 0.879 1.190) 1.606 2.599 ( 2.226 4.115 -5.240) 7.024 2.854 ( 2.120 2.831 -4.636) 5.831 2.884 ( 0.902 -2.311 -1.119) 2.721 2.969 ( 2.131 0.761 4.178) 4.751 3.055 ( -5.860 -2.397 3.962) 7.469 3.077 ( 1.684 0.291 -4.917) 5.205 3.183 ( -0.324 9.499 4.104) 10.352 3.587 ( 1.187 11.135 -1.940) 11.365 3.688 ( 0.530 -8.452 -2.028) 8.708 3.709 ( -3.458 -6.358 -1.988) 7.506 3.821 ( 3.770 -1.991 -8.193) 9.236 3.924 ( -2.195 -7.199 3.702) 8.387 3.938 ( 2.246 -8.404 -0.528) 8.715 4.095 ( -1.003 0.693 -3.249) 3.470 4.118 ( 2.189 -0.390 -0.893) 2.396 4.253 ( 0.357 1.272 0.095) 1.324 4.297 ( -1.470 -1.171 -1.124) 2.190 4.580 ( 1.944 0.179 7.524) 7.773 4.741 ( -0.961 -6.133 -3.769) 7.262 4.799 ( 1.255 -4.170 4.251) 6.086 4.855 ( -2.120 -2.447 2.406) 4.034 4.995 ( -1.970 -0.339 2.583) 3.266 5.073 ( 2.991 -1.038 -4.453) 5.463 5.209 ( -2.707 -3.271 -4.948) 6.520 5.237 ( -1.353 0.889 -3.913) 4.235 5.337 ( -5.849 -5.423 2.306) 8.303 5.351 ( 4.688 -1.497 0.455) 4.943 5.554 ( -1.791 0.947 1.781) 2.698 5.782 ( 1.606 -2.487 -5.305) 6.075 5.821 ( -2.568 -4.798 13.293) 14.364 6.171 ( 4.992 -2.780 8.466) 10.214 6.433 ( 0.866 -5.676 -3.870) 6.925 6.591 ( 9.317 -2.949 -15.841) 18.613 7.632 ( -12.464 -9.140 4.145) 16.002 7.719 ( 0.913 -3.960 1.698) 4.404 8.228 ( 2.839 -1.487 14.680) 15.026 8.443 ( -2.539 -3.127 -2.021) 4.507 8.612 ( 4.523 -2.318 -6.097) 7.938 9.009 ( -9.287 0.444 -15.940) 18.453 9.289 ( 7.346 2.884 6.963) 10.524 9.414 ( -2.797 1.688 3.338) 4.670 9.708 ( 2.440 4.191 12.561) 13.465 9.970 ( -2.489 4.595 -2.117) 5.639 10.282 ( 4.070 2.202 -1.358) 4.823 10.358 ( -0.536 -1.717 -1.729) 2.495 10.580 ( 2.186 5.272 0.850) 5.770 10.664 ( -0.207 7.318 -0.947) 7.382 11.201 ( -2.518 -4.286 1.503) 5.193 11.325 ( 2.738 -4.113 -3.935) 6.317 11.538 ( -2.990 -9.537 2.020) 10.197 11.649 ( 1.693 -5.637 -1.086) 5.986 14.957 ( 0.766 1.021 3.085) 3.338 15.201 ( -1.127 2.430 -7.879) 8.322 20.348 ( 1.962 0.377 2.922) 3.539 20.514 ( -3.033 4.011 -4.363) 6.657 20.924 ( 0.861 7.729 6.928) 10.415 21.194 ( -0.297 3.523 -3.849) 5.226 21.967 ( -5.831 7.184 3.661) 9.950 22.266 ( 13.567 5.929 -10.475) 18.137 23.254 ( 4.014 -13.939 4.318) 15.134 23.471 ( -9.225 -17.212 0.146) 19.528 24.576 ( -0.198 2.237 4.615) 5.133 24.782 ( -1.001 0.425 -3.991) 4.136 28.164 ( -5.109 -1.084 3.868) 6.499 28.284 ( 2.770 -0.760 -1.465) 3.225 ======================= Grid point 111 (49/95) ======================= q-point: (-0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 14.860 13.903 9.155) 22.314 1.117 ( 12.791 18.162 13.284) 25.883 1.558 ( 19.101 5.047 -10.507) 22.377 1.635 ( -0.017 21.982 7.709) 23.295 1.897 ( 8.633 13.904 -6.682) 17.678 2.121 ( -4.929 13.474 0.726) 14.366 2.440 ( -6.516 5.223 5.401) 9.945 2.584 ( 0.439 1.085 3.805) 3.981 2.834 ( -5.891 -4.136 -1.330) 7.320 2.856 ( 4.227 6.885 -12.644) 15.004 2.908 ( -3.504 -0.500 -1.373) 3.796 3.033 ( 1.181 -3.882 3.975) 5.680 3.111 ( -0.478 -0.960 0.094) 1.076 3.195 ( 1.690 1.480 4.878) 5.370 3.492 ( 3.598 12.439 -2.709) 13.229 3.676 ( -4.280 -2.428 0.232) 4.926 3.766 ( -6.193 -6.277 -5.471) 10.377 3.857 ( -3.890 -5.698 -5.102) 8.581 3.921 ( -1.825 -5.709 -1.571) 6.196 3.970 ( -6.838 0.958 -0.030) 6.904 4.011 ( -4.907 -5.147 1.540) 7.276 4.097 ( -6.262 -1.610 -0.742) 6.508 4.218 ( -2.361 -0.867 0.326) 2.536 4.292 ( -1.528 -4.241 1.453) 4.736 4.614 ( 0.327 0.162 6.018) 6.029 4.740 ( -4.516 -7.188 0.569) 8.508 4.848 ( -0.725 -0.514 -1.817) 2.022 4.896 ( 3.438 -2.778 2.452) 5.054 4.997 ( 0.900 1.132 3.698) 3.971 5.065 ( -4.555 -0.052 -1.380) 4.760 5.133 ( -3.550 0.750 -1.419) 3.897 5.199 ( 0.774 2.747 -4.254) 5.122 5.327 ( -0.381 -3.320 -5.132) 6.124 5.428 ( 5.585 1.028 -1.384) 5.845 5.629 ( 6.391 2.248 1.140) 6.870 5.833 ( 7.772 -4.075 0.343) 8.782 6.001 ( 8.431 -5.168 5.456) 11.294 6.347 ( 6.635 -7.547 6.467) 11.950 6.541 ( 7.007 -2.337 0.213) 7.390 6.819 ( 7.816 -2.030 -8.413) 11.661 7.549 ( -1.810 -8.087 -2.434) 8.637 7.772 ( 1.389 -2.183 1.759) 3.129 8.246 ( 3.696 1.437 10.212) 10.955 8.379 ( -4.715 0.838 -3.030) 5.667 8.823 ( 4.021 -9.459 -3.258) 10.782 8.915 ( -5.645 -4.026 -3.989) 7.999 9.270 ( -7.927 3.039 -0.812) 8.528 9.367 ( 6.395 5.085 2.160) 8.451 9.845 ( 9.966 -2.380 7.691) 12.812 9.941 ( 1.779 -0.627 -0.463) 1.942 10.252 ( -6.088 -2.195 0.655) 6.505 10.384 ( 9.520 7.054 -3.819) 12.448 10.578 ( 3.622 5.895 2.904) 7.504 10.693 ( 6.819 1.251 -1.286) 7.052 11.182 ( -2.451 -1.621 -0.748) 3.032 11.454 ( 4.439 -5.584 -2.822) 7.671 11.576 ( -0.731 -4.289 0.456) 4.375 11.780 ( 5.756 -4.900 0.448) 7.573 14.942 ( -0.613 2.458 1.887) 3.159 15.122 ( -2.666 3.627 -5.880) 7.405 20.389 ( 1.602 -0.284 3.133) 3.530 20.440 ( -0.980 1.221 -2.989) 3.374 20.862 ( 0.384 7.914 5.935) 9.899 21.172 ( 0.700 0.306 -4.310) 4.377 21.702 ( -12.706 8.419 -3.364) 15.609 22.354 ( -2.825 1.397 -1.184) 3.367 23.270 ( -16.886 -5.664 -5.635) 18.681 23.368 ( -10.032 -11.519 8.955) 17.706 24.726 ( 16.505 2.256 3.981) 17.127 24.899 ( 12.507 -1.894 -2.289) 12.855 28.140 ( 2.931 -0.446 -0.616) 3.028 28.339 ( 1.444 -1.501 1.851) 2.786 ======================= Grid point 115 (50/95) ======================= q-point: (-0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 8.036 0.000 6.270) 10.193 1.861 ( -6.728 -0.000 -14.933) 16.379 1.994 ( 6.418 0.000 6.893) 9.419 2.044 ( 8.955 0.000 1.404) 9.064 2.332 ( 7.917 0.000 4.313) 9.015 2.377 ( 7.672 0.000 -8.803) 11.678 2.470 ( -1.294 -0.000 6.030) 6.167 2.607 ( 6.617 0.000 -2.024) 6.919 2.626 ( -5.177 -0.000 7.228) 8.891 2.677 ( 6.732 0.000 0.338) 6.740 3.017 ( -6.572 -0.000 -5.567) 8.612 3.043 ( -5.392 -0.000 2.460) 5.927 3.208 ( -3.826 -0.000 -3.868) 5.441 3.208 ( -0.672 -0.000 0.112) 0.682 3.351 ( 2.648 0.000 -5.121) 5.765 3.403 ( -4.363 -0.000 -0.096) 4.364 3.624 ( 8.426 0.000 5.054) 9.826 3.713 ( 6.405 0.000 -0.265) 6.410 3.740 ( 7.042 0.000 2.829) 7.589 3.795 ( -1.666 -0.000 -5.038) 5.307 3.933 ( 6.526 0.000 0.916) 6.590 3.974 ( 1.102 0.000 -1.520) 1.878 4.139 ( -2.298 -0.000 7.821) 8.152 4.407 ( -0.626 -0.000 -1.726) 1.836 4.664 ( 4.021 0.000 -0.441) 4.045 4.710 ( 0.061 0.000 2.118) 2.119 4.840 ( 0.795 0.000 -0.344) 0.866 4.923 ( -3.891 -0.000 -1.168) 4.063 4.945 ( -4.415 -0.000 3.104) 5.397 5.033 ( -3.216 -0.000 -7.656) 8.304 5.112 ( 1.561 0.000 4.527) 4.788 5.255 ( 2.131 0.000 -8.962) 9.211 5.269 ( -4.009 -0.000 4.033) 5.687 5.410 ( -2.190 -0.000 -0.036) 2.190 5.866 ( -9.926 -0.000 3.316) 10.465 5.872 ( -2.009 -0.000 -4.580) 5.001 6.066 ( -11.760 -0.000 4.556) 12.612 6.160 ( -1.042 -0.000 -3.106) 3.276 7.051 ( -23.184 -0.000 -2.192) 23.288 7.103 ( -19.096 -0.000 5.755) 19.945 7.493 ( -9.624 -0.000 -3.711) 10.315 7.943 ( 8.436 0.000 1.506) 8.570 8.177 ( -9.462 -0.000 0.983) 9.513 8.353 ( -4.450 -0.000 -7.458) 8.684 8.501 ( 5.729 0.000 2.777) 6.367 8.762 ( 7.800 0.000 12.346) 14.603 9.193 ( 19.092 0.000 -8.162) 20.763 9.584 ( -5.075 -0.000 -1.154) 5.205 9.766 ( 4.278 0.000 -4.896) 6.502 9.975 ( -2.063 -0.000 10.403) 10.606 10.307 ( 1.048 0.000 -2.562) 2.768 10.712 ( -1.418 -0.000 5.900) 6.068 10.730 ( -6.562 -0.000 -8.018) 10.361 10.845 ( -10.787 -0.000 -0.412) 10.795 11.387 ( -3.851 -0.000 -8.209) 9.067 11.517 ( -2.261 -0.000 8.519) 8.814 11.619 ( -10.803 -0.000 -8.796) 13.931 11.680 ( -5.437 -0.000 10.062) 11.437 14.937 ( -2.283 -0.000 -3.121) 3.867 15.167 ( 4.593 0.000 2.578) 5.267 20.313 ( 0.139 0.000 -2.491) 2.495 20.672 ( 3.615 0.000 7.207) 8.062 21.103 ( 2.092 0.000 -8.111) 8.377 21.225 ( 4.654 0.000 1.278) 4.826 21.845 ( 6.820 0.000 9.053) 11.335 22.100 ( 12.952 0.000 -6.878) 14.665 22.526 ( 2.225 0.000 -4.167) 4.723 22.577 ( 1.419 0.000 4.187) 4.421 25.207 ( -11.194 -0.000 -2.697) 11.515 25.370 ( -12.158 -0.000 2.321) 12.378 28.203 ( -0.436 -0.000 -1.833) 1.884 28.290 ( -2.443 -0.000 2.112) 3.230 ======================= Grid point 117 (51/95) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -0.305 13.848 -3.301) 14.239 1.830 ( -0.310 -0.635 -0.107) 0.714 2.111 ( 9.008 -1.841 3.470) 9.827 2.236 ( 6.813 -6.053 -2.977) 9.587 2.361 ( -2.994 10.146 1.468) 10.679 2.372 ( -9.535 5.474 2.316) 11.236 2.519 ( 6.060 7.435 7.282) 12.043 2.584 ( -1.717 -8.311 -2.801) 8.937 2.657 ( 1.202 0.298 -9.679) 9.758 2.844 ( -4.198 -0.369 3.772) 5.656 2.907 ( 7.066 -9.073 3.075) 11.904 2.917 ( -3.183 -4.539 -3.596) 6.608 3.202 ( 3.538 0.498 2.779) 4.526 3.270 ( 3.980 -5.044 -4.314) 7.739 3.374 ( 2.926 5.263 -0.710) 6.064 3.440 ( 5.931 -1.422 -1.877) 6.381 3.687 ( -3.221 6.016 3.777) 7.799 3.773 ( 3.212 -0.519 0.499) 3.291 3.849 ( 6.070 0.552 0.943) 6.167 3.895 ( 6.287 -2.682 2.344) 7.226 3.980 ( 0.706 2.493 0.189) 2.598 4.022 ( 8.101 6.175 -1.238) 10.261 4.182 ( 3.901 -2.839 -1.411) 5.027 4.379 ( -0.561 1.128 3.390) 3.617 4.644 ( -1.251 7.512 -0.901) 7.669 4.691 ( -1.906 2.682 0.170) 3.295 4.835 ( -1.826 1.283 -1.122) 2.498 4.867 ( -1.189 0.409 1.099) 1.670 4.919 ( 0.503 -4.177 -2.641) 4.968 5.011 ( -2.139 -4.993 -3.343) 6.378 5.132 ( 0.995 3.649 4.778) 6.094 5.177 ( -3.649 -0.254 2.547) 4.458 5.297 ( 1.855 -0.557 -5.804) 6.119 5.352 ( -4.967 -2.699 -0.030) 5.653 5.702 ( -10.432 -5.166 4.362) 12.432 5.787 ( -11.716 -3.883 -4.145) 13.020 5.923 ( -0.521 -3.317 -5.306) 6.279 6.107 ( -7.940 0.268 2.012) 8.196 6.586 ( -19.915 -0.075 -0.763) 19.930 6.747 ( -19.667 -0.249 9.892) 22.016 7.452 ( 2.466 -1.733 -9.827) 10.278 7.925 ( -11.824 -0.265 -6.074) 13.296 8.025 ( -1.271 -0.904 6.519) 6.703 8.365 ( 1.815 0.006 2.473) 3.068 8.567 ( 1.405 -1.018 -0.539) 1.817 9.004 ( 15.102 -1.045 12.623) 19.711 9.415 ( 2.499 -0.055 -10.562) 10.854 9.438 ( -6.300 3.265 0.422) 7.109 9.881 ( 8.075 -0.817 -4.227) 9.151 9.961 ( -1.131 -1.029 11.959) 12.056 10.323 ( 1.114 0.728 -7.155) 7.278 10.528 ( -5.473 6.999 -6.081) 10.767 10.600 ( -11.199 2.755 3.134) 11.951 10.777 ( -2.408 -9.540 0.958) 9.886 11.305 ( -3.979 0.833 -9.224) 10.080 11.403 ( -6.482 3.598 1.611) 7.587 11.505 ( -4.681 -4.026 2.257) 6.574 11.554 ( -10.038 -3.200 7.884) 13.159 14.910 ( -0.574 -0.467 -0.938) 1.194 15.239 ( 3.301 0.872 0.041) 3.414 20.321 ( 1.012 0.417 -0.127) 1.102 20.718 ( 1.075 1.186 2.334) 2.830 21.119 ( 1.797 2.556 -3.620) 4.782 21.304 ( 4.278 1.792 0.503) 4.665 21.988 ( 10.849 5.196 4.442) 12.823 22.271 ( 6.170 3.204 -3.915) 7.979 22.604 ( 3.736 -4.755 1.705) 6.283 22.708 ( 9.012 -6.875 -0.680) 11.356 24.971 ( -13.514 -0.541 -2.894) 13.831 25.119 ( -14.517 -0.703 1.781) 14.643 28.207 ( 0.867 -0.052 -2.467) 2.616 28.246 ( -2.902 -0.875 3.002) 4.266 ======================= Grid point 118 (52/95) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -1.656 15.251 4.399) 15.959 1.699 ( -5.637 12.226 4.780) 14.286 1.945 ( -16.532 11.819 -2.509) 20.476 2.190 ( -6.370 4.875 -2.029) 8.274 2.384 ( 0.918 -8.330 -3.641) 9.137 2.439 ( 11.222 -8.823 0.385) 14.280 2.532 ( -1.950 -1.827 -8.357) 8.774 2.582 ( 10.257 10.817 6.732) 16.357 2.742 ( 3.499 -3.176 -8.770) 9.962 2.821 ( 3.203 3.583 3.784) 6.117 2.980 ( 2.393 -2.639 2.369) 4.278 3.121 ( 2.292 -2.895 2.843) 4.660 3.212 ( -1.489 2.637 3.907) 4.944 3.372 ( 3.052 -3.442 1.351) 4.795 3.462 ( 7.403 -2.836 -2.274) 8.247 3.497 ( -2.314 7.217 2.034) 7.847 3.627 ( 5.199 -2.394 3.952) 6.955 3.767 ( -1.676 1.252 -4.804) 5.240 3.919 ( 1.696 0.853 3.324) 3.828 3.940 ( -1.504 4.106 -0.403) 4.391 4.026 ( 7.169 0.881 -1.334) 7.345 4.143 ( 7.195 4.862 -5.174) 10.109 4.262 ( 4.921 0.983 -1.963) 5.388 4.368 ( -0.133 4.031 0.564) 4.073 4.530 ( -3.017 3.131 1.573) 4.624 4.631 ( -2.614 -3.289 -1.430) 4.438 4.796 ( -1.815 0.233 4.119) 4.507 4.832 ( -1.424 4.796 2.846) 5.756 4.956 ( -1.068 -5.837 -7.606) 9.647 5.021 ( -1.224 -0.250 3.915) 4.110 5.094 ( 0.299 -2.730 3.760) 4.656 5.221 ( 4.446 -0.410 -2.707) 5.222 5.261 ( -4.513 -1.318 -0.658) 4.748 5.329 ( -0.808 -1.439 -6.060) 6.281 5.607 ( -5.869 -6.347 3.375) 9.280 5.652 ( -7.203 -6.424 -3.446) 10.248 5.813 ( -19.620 -4.394 11.963) 23.396 6.022 ( 5.319 -6.995 -12.560) 15.329 6.368 ( -12.709 1.827 9.984) 16.264 6.498 ( -1.603 -1.694 -7.011) 7.388 7.545 ( 4.754 -2.809 -6.540) 8.559 7.688 ( -14.754 -3.727 2.979) 15.506 8.075 ( 4.897 -1.151 8.357) 9.754 8.361 ( -1.978 -0.718 3.874) 4.408 8.596 ( -0.241 -1.928 -3.556) 4.053 9.244 ( -1.899 -0.362 -4.387) 4.794 9.314 ( 0.051 4.599 3.591) 5.835 9.358 ( 1.807 -0.258 0.334) 1.855 9.898 ( -4.396 4.395 4.579) 7.720 10.072 ( 10.462 -1.908 -4.145) 11.413 10.289 ( -4.090 5.421 -3.472) 7.627 10.378 ( -5.188 1.314 2.058) 5.734 10.507 ( 4.615 -0.687 -1.354) 4.858 10.814 ( -2.799 -6.080 -1.885) 6.954 11.218 ( -2.689 3.417 -5.198) 6.776 11.272 ( -5.677 -0.654 1.352) 5.872 11.406 ( -7.429 -2.953 8.230) 11.473 11.488 ( -3.599 -6.912 -0.952) 7.851 14.925 ( 1.451 -0.634 2.116) 2.643 15.266 ( 0.867 1.460 -3.371) 3.774 20.340 ( 1.574 0.830 2.014) 2.687 20.687 ( -2.142 2.640 -3.441) 4.837 21.117 ( 2.724 6.360 2.439) 7.336 21.333 ( 1.702 4.236 -0.884) 4.650 22.125 ( 7.733 5.378 3.694) 10.118 22.303 ( 4.719 6.620 -4.601) 9.342 22.759 ( 4.506 -10.407 4.002) 12.026 22.973 ( 6.754 -13.129 -2.051) 14.906 24.741 ( -9.997 0.940 -0.746) 10.069 24.883 ( -11.142 -1.610 -0.997) 11.302 28.199 ( -3.220 -1.098 3.412) 4.818 28.233 ( 1.573 -0.250 -2.508) 2.971 ======================= Grid point 119 (53/95) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 2.508 15.877 9.627) 18.736 1.504 ( 2.343 17.686 7.561) 19.377 1.647 ( -0.608 11.634 -4.641) 12.541 2.026 ( -4.070 5.570 -7.245) 10.004 2.409 ( -3.670 -0.493 1.559) 4.017 2.512 ( 0.051 1.636 -10.216) 10.346 2.566 ( -1.073 4.086 0.162) 4.228 2.697 ( -0.121 4.101 2.073) 4.597 2.773 ( 0.903 -1.344 0.393) 1.667 2.875 ( 3.341 0.840 -2.313) 4.149 2.970 ( 0.879 2.007 6.753) 7.100 3.083 ( 1.306 6.981 1.423) 7.243 3.248 ( 0.694 3.445 6.855) 7.704 3.351 ( -2.737 5.290 3.447) 6.882 3.430 ( -2.784 -6.051 1.669) 6.866 3.574 ( 1.199 -7.433 -6.636) 10.036 3.761 ( 1.803 -0.501 0.315) 1.898 3.788 ( 3.525 -2.486 -1.832) 4.686 3.861 ( -4.135 1.340 -1.509) 4.602 3.864 ( -1.058 3.112 -1.926) 3.810 4.128 ( 4.148 1.448 -4.192) 6.073 4.166 ( 1.174 5.096 -5.177) 7.359 4.263 ( -4.600 2.651 0.506) 5.333 4.323 ( 1.010 2.612 -0.690) 2.884 4.540 ( 1.780 -3.185 3.728) 5.217 4.640 ( -1.683 -5.346 -3.222) 6.465 4.764 ( -1.556 -0.006 5.032) 5.267 4.784 ( 1.006 -0.681 6.367) 6.481 4.986 ( -1.299 0.005 3.743) 3.962 5.025 ( 3.151 -3.367 -5.454) 7.142 5.146 ( -2.868 -1.803 -3.515) 4.882 5.207 ( 0.277 -3.344 0.894) 3.472 5.278 ( -3.834 -1.529 -3.475) 5.396 5.329 ( 3.468 -0.977 -1.262) 3.817 5.535 ( -2.009 -2.540 1.805) 3.708 5.687 ( -5.071 -8.967 7.087) 12.504 5.702 ( 5.696 -5.745 -2.616) 8.502 6.132 ( -4.877 -0.902 11.738) 12.743 6.270 ( 7.947 -8.987 -12.156) 17.079 6.576 ( 8.127 0.707 -9.949) 12.866 7.465 ( -14.305 -6.996 7.982) 17.812 7.650 ( 3.178 -2.917 -1.001) 4.428 8.218 ( 6.836 0.384 15.390) 16.844 8.362 ( 0.581 -3.890 1.381) 4.168 8.590 ( -0.465 -0.626 -6.932) 6.976 9.006 ( -13.111 -0.661 -16.153) 20.815 9.348 ( 4.925 3.226 6.381) 8.682 9.448 ( 0.681 1.044 3.636) 3.844 9.816 ( 2.983 6.247 5.833) 9.052 10.095 ( -4.905 6.869 -3.578) 9.167 10.299 ( 7.854 -0.019 -0.007) 7.854 10.319 ( -1.224 -1.716 -1.229) 2.439 10.635 ( 6.033 -0.373 1.682) 6.274 10.769 ( -3.521 1.492 -4.286) 5.744 11.149 ( -2.953 -0.435 0.843) 3.101 11.211 ( -3.010 -5.642 -1.041) 6.479 11.387 ( 0.712 -4.860 3.628) 6.107 11.535 ( 2.103 -5.722 -0.919) 6.165 14.968 ( 2.152 0.107 4.361) 4.865 15.235 ( -2.254 1.268 -6.413) 6.915 20.366 ( 2.005 1.124 3.703) 4.359 20.594 ( -3.665 3.636 -5.922) 7.857 21.094 ( 2.384 8.723 5.440) 10.553 21.286 ( -0.997 5.316 -2.641) 6.019 22.107 ( -3.797 6.813 3.957) 8.746 22.353 ( 5.713 3.464 -5.921) 8.927 22.962 ( 2.233 -14.922 3.731) 15.543 23.153 ( -3.223 -14.316 -1.351) 14.736 24.625 ( 0.839 2.712 2.159) 3.567 24.773 ( -1.138 -1.246 -3.759) 4.120 28.150 ( -2.736 -0.414 3.109) 4.162 28.270 ( 1.977 -0.609 -1.733) 2.699 ======================= Grid point 120 (54/95) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 10.094 14.697 7.110) 19.194 1.463 ( 11.267 17.308 10.966) 23.383 1.693 ( 14.006 8.125 -6.831) 17.574 1.918 ( -2.329 6.875 -15.764) 17.355 2.201 ( -6.679 13.862 13.513) 20.478 2.424 ( -0.384 11.832 -2.191) 12.040 2.520 ( -1.218 -0.300 -5.090) 5.243 2.601 ( -2.841 1.416 -1.062) 3.347 2.745 ( -6.869 -5.395 1.678) 8.894 2.890 ( -0.132 6.002 -1.075) 6.099 2.970 ( -2.328 4.794 -0.500) 5.353 3.028 ( 1.394 -0.640 6.149) 6.337 3.176 ( 2.541 8.797 0.943) 9.205 3.283 ( -0.220 4.748 4.704) 6.687 3.491 ( -4.473 -15.039 1.462) 15.759 3.663 ( -1.982 2.337 -4.753) 5.655 3.700 ( 0.674 -4.133 -1.929) 4.610 3.755 ( -6.833 -0.861 -1.092) 6.973 3.827 ( -1.451 -0.947 -0.289) 1.756 3.916 ( 2.517 -1.669 -3.736) 4.804 4.043 ( -7.335 4.778 -4.200) 9.710 4.108 ( -3.559 2.718 -1.032) 4.596 4.176 ( -7.327 -3.385 0.202) 8.074 4.281 ( 0.792 2.783 -0.052) 2.894 4.585 ( -3.025 -5.177 4.274) 7.364 4.639 ( -1.435 0.295 -0.189) 1.477 4.801 ( 0.964 -4.175 0.004) 4.285 4.850 ( 3.288 -1.241 5.223) 6.295 4.999 ( 2.023 -0.804 3.883) 4.452 5.053 ( -4.913 -0.350 -3.466) 6.023 5.116 ( 2.846 -1.766 -2.193) 4.004 5.225 ( -1.249 -1.678 -2.410) 3.191 5.249 ( -1.003 -2.498 -4.082) 4.890 5.423 ( 5.755 -1.592 -2.640) 6.528 5.644 ( 6.013 -1.265 0.891) 6.209 5.728 ( 5.829 -5.916 6.190) 10.359 5.934 ( 12.964 -2.688 -2.314) 13.440 6.166 ( 2.606 -10.054 6.004) 11.997 6.488 ( 6.836 -3.037 -0.562) 7.502 6.764 ( 9.117 -2.621 -6.051) 11.252 7.378 ( -0.263 -8.184 -1.225) 8.279 7.727 ( 2.828 -2.120 1.513) 3.844 8.287 ( 3.777 2.478 8.931) 10.009 8.394 ( -3.676 0.735 0.257) 3.757 8.649 ( 3.588 -7.418 0.200) 8.243 8.836 ( -7.684 -3.827 -7.846) 11.629 9.343 ( -3.108 3.675 4.044) 6.287 9.452 ( 5.140 3.427 -1.122) 6.278 9.854 ( 2.602 1.836 7.940) 8.555 9.990 ( -0.011 5.044 -5.277) 7.299 10.235 ( -3.333 0.692 0.456) 3.434 10.462 ( 5.971 0.963 -1.741) 6.293 10.704 ( 2.642 4.153 5.877) 7.666 10.727 ( 4.319 2.836 -6.973) 8.678 11.128 ( -0.352 -4.010 -1.012) 4.151 11.275 ( 0.211 -9.465 -0.961) 9.516 11.511 ( 6.383 -2.807 2.490) 7.404 11.669 ( 6.402 -5.668 0.044) 8.551 14.989 ( 0.437 2.076 3.652) 4.224 15.161 ( -3.375 0.762 -6.041) 6.962 20.400 ( 2.399 1.137 5.039) 5.696 20.487 ( -3.276 3.037 -5.681) 7.227 21.038 ( 0.933 9.356 5.113) 10.703 21.212 ( -1.194 3.588 -3.376) 5.069 21.879 ( -11.461 9.096 -0.617) 14.645 22.385 ( -0.012 1.645 -2.325) 2.848 23.086 ( -6.458 -14.958 3.405) 16.645 23.114 ( -13.316 -10.400 -1.003) 16.926 24.756 ( 14.404 0.757 3.090) 14.751 24.869 ( 10.064 -0.949 -3.592) 10.728 28.134 ( 1.094 -0.249 0.637) 1.290 28.309 ( 1.094 -1.344 0.484) 1.800 ======================= Grid point 121 (55/95) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 3.802 6.870 -3.625) 8.648 1.568 ( 7.854 20.908 2.797) 22.509 1.583 ( -4.659 12.921 9.585) 16.749 1.920 ( 12.582 0.824 -11.963) 17.381 2.147 ( -1.065 6.874 -1.481) 7.112 2.286 ( 4.629 7.516 1.888) 9.027 2.545 ( 0.143 1.384 0.620) 1.524 2.599 ( 7.484 3.537 1.806) 8.472 2.686 ( -3.379 -3.887 3.109) 6.016 2.800 ( 1.197 6.338 -1.701) 6.671 2.958 ( 1.721 1.412 -4.296) 4.839 3.040 ( -0.207 0.898 9.630) 9.674 3.212 ( 8.092 4.179 0.455) 9.119 3.254 ( 0.675 2.468 4.706) 5.357 3.476 ( -12.345 -7.012 -1.098) 14.240 3.533 ( -9.242 -3.294 -2.443) 10.111 3.652 ( -2.097 2.053 -1.200) 3.171 3.728 ( -1.406 0.777 -2.939) 3.350 3.794 ( -6.301 -5.814 -3.620) 9.306 3.857 ( -5.324 0.485 -0.482) 5.368 3.917 ( -3.795 1.470 -0.713) 4.132 3.983 ( -4.267 3.005 -4.684) 7.013 4.111 ( -2.754 -4.836 1.847) 5.863 4.313 ( 3.341 1.917 1.056) 3.994 4.557 ( -6.703 -2.003 0.114) 6.997 4.571 ( -4.339 -5.204 4.924) 8.376 4.809 ( -2.180 -1.157 -2.050) 3.209 4.915 ( 0.882 -1.054 2.253) 2.639 4.965 ( -2.267 -1.177 -1.513) 2.969 5.096 ( 5.428 -0.335 2.528) 5.997 5.144 ( 0.876 2.907 -1.509) 3.390 5.234 ( 2.022 -0.406 -2.770) 3.454 5.290 ( 0.790 -3.839 -4.602) 6.045 5.529 ( 3.443 -0.612 -1.404) 3.769 5.773 ( 7.686 -2.657 0.512) 8.149 5.958 ( 8.933 -2.901 0.566) 9.410 6.171 ( 9.563 -0.074 2.010) 9.772 6.421 ( 13.460 -9.605 -2.609) 16.740 6.587 ( -2.357 -4.363 7.874) 9.305 6.873 ( 7.294 0.472 2.821) 7.835 7.648 ( 16.388 -7.735 -11.653) 21.545 7.826 ( 6.992 -1.229 0.706) 7.134 8.268 ( -6.378 -0.230 -3.234) 7.155 8.388 ( 5.520 1.559 8.747) 10.460 8.648 ( -10.620 -4.860 3.669) 12.242 8.757 ( -7.633 -5.766 0.624) 9.587 9.236 ( -0.075 7.558 0.247) 7.562 9.556 ( 5.183 4.319 -2.508) 7.198 9.837 ( -5.267 -6.225 -0.192) 8.157 9.954 ( -1.452 0.587 -2.757) 3.171 10.224 ( 4.867 2.543 3.705) 6.624 10.521 ( 0.628 -0.364 -4.047) 4.111 10.692 ( 3.324 3.536 5.857) 7.607 10.898 ( 13.396 0.561 -4.555) 14.160 11.195 ( 4.987 0.788 1.502) 5.268 11.372 ( -0.474 -9.977 -2.284) 10.246 11.618 ( 3.302 -0.227 1.054) 3.474 11.871 ( 8.319 -4.244 0.406) 9.348 14.952 ( -1.262 2.398 0.604) 2.777 15.109 ( -0.805 1.400 -1.795) 2.414 20.398 ( -1.672 1.266 -3.469) 4.053 20.459 ( 2.607 0.329 5.083) 5.722 20.959 ( 0.203 8.509 2.364) 8.833 21.183 ( 0.564 0.223 -2.246) 2.326 21.549 ( -12.278 9.310 -5.122) 16.237 22.309 ( -3.720 6.366 6.325) 9.715 22.912 ( -14.997 -6.423 -9.227) 18.743 23.036 ( -13.037 -11.937 7.105) 19.051 25.064 ( 16.221 1.019 2.654) 16.468 25.125 ( 14.293 -4.011 -2.223) 15.011 28.200 ( 4.114 -2.174 -2.563) 5.313 28.330 ( -0.638 -1.420 2.521) 2.963 ======================= Grid point 126 (56/95) ======================= q-point: (-0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -3.195 -0.000 3.539) 4.768 1.799 ( -4.862 -0.000 2.419) 5.431 2.070 ( -14.930 -0.000 6.715) 16.371 2.252 ( -4.979 -0.000 -0.959) 5.070 2.277 ( 2.103 0.000 -3.680) 4.239 2.361 ( 5.410 0.000 4.356) 6.945 2.462 ( 0.700 0.000 -11.660) 11.681 2.699 ( 4.695 0.000 -16.842) 17.485 2.745 ( 7.392 0.000 10.939) 13.202 2.883 ( 5.618 0.000 4.004) 6.899 2.908 ( 3.745 0.000 -1.566) 4.059 3.023 ( 7.306 0.000 4.345) 8.500 3.251 ( 0.468 0.000 -3.699) 3.728 3.292 ( 1.785 0.000 -4.665) 4.995 3.470 ( 2.983 0.000 -0.870) 3.108 3.584 ( 6.460 0.000 5.906) 8.753 3.640 ( -1.897 -0.000 5.386) 5.710 3.771 ( -2.015 -0.000 -1.213) 2.351 3.940 ( 2.197 0.000 0.259) 2.212 3.976 ( -2.181 -0.000 2.065) 3.004 4.027 ( 6.357 0.000 1.173) 6.465 4.186 ( 6.228 0.000 -0.495) 6.247 4.278 ( 6.744 0.000 -1.782) 6.975 4.384 ( 0.282 0.000 3.816) 3.827 4.579 ( -7.115 -0.000 -1.419) 7.255 4.645 ( -2.928 -0.000 -2.102) 3.605 4.806 ( -3.190 -0.000 -1.307) 3.447 4.849 ( -0.459 -0.000 -6.412) 6.429 4.955 ( 3.444 0.000 1.257) 3.666 4.985 ( 2.337 0.000 0.829) 2.480 5.065 ( -3.122 -0.000 4.706) 5.648 5.224 ( -6.542 -0.000 1.723) 6.765 5.246 ( 4.012 0.000 2.046) 4.503 5.339 ( 2.812 0.000 -6.620) 7.192 5.507 ( -8.304 -0.000 4.226) 9.317 5.557 ( -6.697 -0.000 -5.681) 8.782 5.771 ( -23.137 -0.000 11.371) 25.780 5.941 ( 5.725 0.000 -14.754) 15.826 6.404 ( -17.907 -0.000 14.376) 22.964 6.475 ( 4.430 0.000 -10.722) 11.601 7.516 ( 5.152 0.000 -7.571) 9.158 7.649 ( -16.165 -0.000 4.765) 16.852 8.063 ( 5.295 0.000 6.897) 8.695 8.359 ( -2.970 -0.000 6.591) 7.229 8.571 ( 0.742 0.000 -5.583) 5.632 9.239 ( -2.308 -0.000 -3.493) 4.187 9.341 ( 2.534 0.000 2.837) 3.803 9.381 ( -0.309 -0.000 1.586) 1.616 9.948 ( -2.435 -0.000 3.417) 4.196 10.051 ( 10.486 0.000 -4.956) 11.598 10.326 ( -0.853 -0.000 -5.418) 5.485 10.413 ( -9.863 -0.000 3.943) 10.622 10.498 ( 1.514 0.000 -2.790) 3.174 10.734 ( 1.025 0.000 -0.718) 1.251 11.253 ( -0.850 -0.000 -7.735) 7.782 11.289 ( -11.648 -0.000 4.860) 12.621 11.373 ( -1.108 -0.000 -2.600) 2.826 11.402 ( -6.708 -0.000 9.628) 11.735 14.918 ( 1.645 0.000 2.271) 2.804 15.281 ( 0.607 0.000 -3.185) 3.242 20.349 ( 1.628 0.000 2.218) 2.752 20.714 ( -2.024 -0.000 -3.593) 4.123 21.188 ( 3.623 0.000 1.536) 3.935 21.379 ( 2.309 0.000 -0.556) 2.375 22.186 ( 6.994 0.000 4.254) 8.186 22.390 ( 4.142 0.000 -4.377) 6.026 22.629 ( 1.803 0.000 5.206) 5.509 22.829 ( 7.326 0.000 -3.294) 8.033 24.754 ( -8.277 -0.000 -2.667) 8.696 24.863 ( -11.622 -0.000 0.558) 11.635 28.188 ( -2.935 -0.000 3.425) 4.510 28.230 ( 1.686 0.000 -2.578) 3.081 ======================= Grid point 128 (57/95) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 2.454 11.569 7.050) 13.768 1.732 ( 2.262 3.184 4.221) 5.750 1.846 ( -3.469 6.852 1.027) 7.748 2.111 ( -5.845 3.604 4.825) 8.392 2.293 ( -3.610 -5.698 -4.911) 8.344 2.491 ( 0.878 -3.168 -5.975) 6.820 2.533 ( 3.564 -3.564 -11.235) 12.314 2.734 ( -2.563 1.552 -3.540) 4.638 2.811 ( 0.335 0.401 4.098) 4.131 2.920 ( 4.412 6.185 0.222) 7.601 3.018 ( 2.180 -1.262 3.751) 4.519 3.123 ( 1.272 -4.065 2.964) 5.189 3.238 ( 1.005 3.452 -1.661) 3.961 3.365 ( 3.568 -5.812 -5.587) 8.816 3.492 ( -3.798 5.888 4.714) 8.445 3.499 ( -1.087 1.748 5.041) 5.445 3.709 ( -1.348 -1.896 1.353) 2.691 3.767 ( 1.685 -2.740 -1.706) 3.641 3.895 ( -2.961 3.847 2.194) 5.327 3.931 ( -1.752 1.861 0.873) 2.700 4.115 ( 1.454 -1.359 -0.682) 2.104 4.253 ( 0.618 1.235 -2.218) 2.613 4.345 ( -5.555 1.646 -0.097) 5.794 4.356 ( 2.221 0.275 -0.806) 2.378 4.523 ( 1.804 -0.112 1.458) 2.322 4.597 ( 0.916 3.690 -3.052) 4.875 4.736 ( -1.900 1.045 0.863) 2.334 4.853 ( 0.115 -0.260 -3.051) 3.064 4.975 ( 3.087 1.126 0.078) 3.287 5.035 ( 1.703 5.325 3.873) 6.801 5.097 ( 1.718 -3.735 -1.775) 4.478 5.155 ( 0.554 -3.321 0.187) 3.373 5.250 ( -7.384 -0.354 1.652) 7.574 5.328 ( -0.658 2.166 -1.012) 2.479 5.457 ( -2.533 -8.383 2.565) 9.125 5.507 ( -2.189 -3.070 5.458) 6.633 5.581 ( 5.908 -5.482 -6.772) 10.527 6.116 ( -7.655 -2.047 3.901) 8.832 6.148 ( 9.785 -1.518 -7.351) 12.332 6.594 ( 7.980 0.709 -7.769) 11.160 7.368 ( -14.711 -2.594 9.343) 17.619 7.608 ( 4.192 -1.170 -2.585) 5.061 8.226 ( 10.202 0.147 14.533) 17.757 8.314 ( -1.170 -0.952 4.819) 5.050 8.577 ( -0.763 -0.483 -7.432) 7.486 8.995 ( -13.990 -0.265 -15.346) 20.768 9.410 ( 3.189 2.509 4.382) 5.972 9.449 ( 1.121 -0.749 4.779) 4.966 9.924 ( 2.542 3.476 1.691) 4.627 10.206 ( 0.299 3.682 -6.095) 7.127 10.287 ( 2.789 -0.876 1.680) 3.372 10.300 ( -0.398 -0.505 -0.164) 0.664 10.584 ( 4.612 -2.914 1.764) 5.734 10.755 ( 0.108 -1.111 -5.796) 5.903 11.094 ( -9.616 -2.516 2.978) 10.376 11.228 ( 0.166 3.701 -1.701) 4.076 11.319 ( -1.775 -2.737 3.458) 4.754 11.443 ( 5.509 -2.808 0.820) 6.237 14.967 ( 2.932 -0.084 5.153) 5.930 15.253 ( -2.870 0.486 -6.144) 6.799 20.384 ( 2.119 0.539 4.280) 4.807 20.646 ( -3.830 1.408 -6.547) 7.714 21.233 ( 2.907 4.235 4.191) 6.629 21.375 ( -1.194 2.829 -1.940) 3.632 22.229 ( -1.110 4.591 3.506) 5.882 22.416 ( 1.587 2.858 -3.775) 4.993 22.698 ( -0.365 -9.850 5.225) 11.156 22.936 ( 0.035 -6.369 -3.245) 7.148 24.680 ( 1.393 2.643 -0.085) 2.989 24.737 ( -1.297 -2.179 -2.395) 3.488 28.145 ( -1.958 -0.130 2.820) 3.436 28.261 ( 1.576 -0.234 -1.794) 2.399 ======================= Grid point 129 (58/95) ======================= q-point: (-0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 7.523 14.171 6.712) 17.391 1.779 ( 8.428 13.158 7.843) 17.484 1.835 ( 7.326 4.744 -2.428) 9.059 2.008 ( -0.397 4.818 -9.766) 10.897 2.290 ( -0.871 -8.148 3.729) 9.004 2.441 ( -8.466 -5.823 -3.823) 10.964 2.575 ( -0.660 8.780 -7.817) 11.774 2.589 ( -5.788 -1.967 -0.360) 6.124 2.726 ( -5.103 3.894 1.259) 6.541 2.959 ( 0.691 -2.705 4.260) 5.093 3.041 ( 2.155 3.517 -0.978) 4.239 3.157 ( -4.735 0.951 -1.727) 5.129 3.202 ( -0.292 -1.692 3.560) 3.952 3.367 ( -0.803 6.030 2.795) 6.695 3.379 ( -2.421 5.641 5.473) 8.224 3.535 ( 0.459 -7.388 -2.859) 7.935 3.644 ( -7.494 -6.761 -0.136) 10.094 3.755 ( -7.665 3.165 -0.099) 8.293 3.853 ( 3.409 0.092 -2.167) 4.040 3.917 ( 1.313 1.695 1.954) 2.901 4.100 ( -5.256 -3.436 -2.759) 6.859 4.162 ( -9.202 4.038 -1.684) 10.189 4.188 ( -2.956 4.018 -0.222) 4.993 4.357 ( -1.123 3.023 -1.211) 3.445 4.562 ( 1.779 2.658 1.325) 3.462 4.630 ( 4.202 0.397 -1.806) 4.591 4.737 ( 0.934 -1.343 1.335) 2.112 4.864 ( 1.724 2.405 3.194) 4.354 4.988 ( 0.367 0.681 3.477) 3.562 5.040 ( -3.304 -2.579 -3.154) 5.245 5.100 ( 3.496 1.502 -0.656) 3.861 5.164 ( -0.983 -2.783 -0.092) 2.953 5.240 ( -0.381 1.333 -2.772) 3.099 5.358 ( 5.953 -4.965 -2.602) 8.177 5.536 ( 0.978 -9.316 3.502) 10.000 5.648 ( 12.377 -1.804 2.029) 12.671 5.851 ( 15.909 -6.242 -9.201) 19.409 6.006 ( -2.508 -4.452 8.856) 10.225 6.427 ( 9.759 -2.704 -3.014) 10.566 6.733 ( 7.504 -0.594 -2.469) 7.922 7.248 ( 0.575 -4.551 -0.267) 4.595 7.692 ( 3.809 -1.405 1.015) 4.185 8.324 ( 3.107 0.794 6.050) 6.847 8.417 ( 3.018 1.748 9.725) 10.331 8.539 ( -0.993 -3.756 -3.399) 5.162 8.775 ( -10.045 -2.044 -9.639) 14.071 9.405 ( -0.415 2.528 3.743) 4.535 9.484 ( 2.833 -0.165 1.103) 3.045 9.916 ( -1.151 3.958 1.117) 4.270 10.099 ( -3.186 5.196 -5.052) 7.917 10.265 ( 1.280 1.723 1.333) 2.527 10.460 ( 6.884 -0.628 -0.391) 6.924 10.696 ( 1.461 -2.760 2.214) 3.828 10.758 ( 2.490 -2.257 -6.667) 7.466 11.018 ( -1.264 -3.984 -1.210) 4.351 11.208 ( 1.105 1.510 2.588) 3.194 11.436 ( 9.044 -4.804 2.030) 10.440 11.586 ( 6.331 -2.248 1.255) 6.834 15.020 ( 2.190 1.019 5.680) 6.172 15.168 ( -4.689 0.119 -6.932) 8.370 20.424 ( 2.646 1.101 5.950) 6.604 20.543 ( -4.408 2.268 -6.893) 8.490 21.211 ( 0.379 7.362 3.623) 8.214 21.294 ( -2.814 3.757 -2.558) 5.346 22.060 ( -9.137 9.029 1.771) 12.967 22.413 ( 0.193 0.715 -2.541) 2.646 22.779 ( -5.169 -14.142 4.231) 15.640 22.925 ( -9.060 -8.144 -2.397) 12.416 24.765 ( 10.183 0.259 -0.808) 10.218 24.856 ( 11.118 -0.467 -0.956) 11.169 28.130 ( 0.244 -0.150 1.145) 1.180 28.288 ( 0.852 -0.752 -0.230) 1.160 ======================= Grid point 130 (59/95) ======================= q-point: (-0.22 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -5.003 8.993 -4.362) 11.177 1.847 ( 3.291 12.288 8.343) 15.213 1.885 ( 5.810 10.538 1.092) 12.083 1.956 ( 7.212 1.754 -7.396) 10.478 2.308 ( -9.911 0.895 -3.509) 10.552 2.368 ( -0.336 11.094 5.466) 12.372 2.493 ( -2.992 -6.058 -2.840) 7.329 2.540 ( 1.240 -4.467 -1.425) 4.850 2.677 ( 5.348 4.493 -1.712) 7.192 2.943 ( -1.759 1.164 2.138) 3.003 3.026 ( 1.284 -1.742 -1.022) 2.394 3.138 ( 4.997 6.584 2.920) 8.766 3.210 ( -0.796 -4.574 5.424) 7.139 3.302 ( -4.935 -4.386 3.782) 7.609 3.323 ( 1.051 7.958 4.482) 9.193 3.515 ( -6.329 0.938 -5.894) 8.699 3.602 ( -5.456 -7.356 -1.289) 9.248 3.612 ( -6.451 -4.856 -1.744) 8.260 3.818 ( -5.633 2.071 1.378) 6.158 3.883 ( -5.485 1.198 -3.086) 6.407 3.981 ( -8.425 0.427 -1.129) 8.511 4.021 ( -0.308 -1.152 1.981) 2.312 4.130 ( 2.567 8.702 -4.168) 9.985 4.308 ( -0.857 -1.490 0.037) 1.719 4.533 ( -0.495 5.191 0.201) 5.218 4.618 ( -3.308 4.672 3.266) 6.590 4.776 ( 0.668 -1.455 -0.708) 1.750 4.887 ( 1.494 -1.481 2.103) 2.975 4.960 ( -3.735 0.495 -2.898) 4.754 5.057 ( 3.788 -3.507 3.336) 6.146 5.164 ( 0.661 -0.645 -0.392) 1.003 5.213 ( 2.699 -3.185 -5.368) 6.800 5.226 ( 2.841 0.447 -1.671) 3.326 5.490 ( 2.266 -3.627 -0.529) 4.309 5.682 ( 5.928 -5.549 2.071) 8.380 5.933 ( 13.408 -0.478 -1.267) 13.476 6.106 ( 4.701 -6.907 3.311) 8.988 6.239 ( 17.879 -7.394 -9.840) 21.707 6.533 ( 2.183 -0.907 11.427) 11.669 6.868 ( 8.659 -0.635 4.051) 9.580 7.506 ( 18.082 -5.901 -13.521) 23.337 7.798 ( 6.663 -1.481 2.728) 7.351 8.282 ( -6.320 1.598 -4.506) 7.924 8.438 ( 3.180 2.737 4.566) 6.200 8.557 ( -6.359 -4.568 3.223) 8.467 8.639 ( -7.134 -4.950 5.995) 10.552 9.361 ( 0.200 5.020 0.637) 5.064 9.589 ( 6.902 -0.867 -6.261) 9.359 9.777 ( -11.223 -0.091 4.301) 12.020 9.999 ( -2.310 3.504 -0.207) 4.202 10.316 ( 7.369 5.561 -0.403) 9.241 10.513 ( -1.920 -0.257 -3.502) 4.002 10.714 ( 3.319 -0.569 3.581) 4.916 10.910 ( 8.282 -2.344 -2.140) 8.869 11.125 ( 6.061 -6.137 -6.364) 10.719 11.251 ( 3.913 -0.712 3.189) 5.098 11.617 ( 4.235 0.114 2.320) 4.831 11.767 ( 10.256 -5.556 1.545) 11.767 15.001 ( -2.341 2.469 -0.668) 3.468 15.116 ( -0.547 -0.563 -0.371) 0.868 20.434 ( -3.314 2.045 -4.693) 6.098 20.476 ( 2.822 1.145 6.132) 6.847 21.114 ( -2.483 6.548 -0.467) 7.019 21.222 ( -1.002 3.406 -0.357) 3.569 21.753 ( -12.020 10.951 -1.626) 16.341 22.400 ( -0.103 2.271 0.900) 2.445 22.769 ( -13.826 -7.760 -1.536) 15.929 22.782 ( -9.899 -12.220 2.212) 15.881 25.028 ( 15.110 -3.221 -1.380) 15.511 25.102 ( 14.104 0.595 0.763) 14.137 28.165 ( 2.697 -1.307 -1.068) 3.181 28.305 ( -0.134 -1.034 1.478) 1.809 ======================= Grid point 131 (60/95) ======================= q-point: (-0.11 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -3.683 6.132 -7.371) 10.271 1.671 ( 0.834 12.502 6.607) 14.165 1.982 ( 4.996 14.606 2.415) 15.624 2.083 ( -0.520 0.291 -6.870) 6.896 2.102 ( 4.027 4.968 0.750) 6.439 2.265 ( -3.277 -5.958 2.826) 7.364 2.444 ( -4.588 -3.654 -3.475) 6.817 2.569 ( -5.209 -3.733 0.073) 6.409 2.742 ( 3.423 4.677 -2.135) 6.177 2.988 ( 0.089 0.524 3.098) 3.143 3.068 ( -1.258 -4.008 6.459) 7.705 3.127 ( 5.067 5.650 0.090) 7.590 3.190 ( -4.591 3.469 0.751) 5.803 3.276 ( -3.062 -5.119 1.278) 6.100 3.346 ( 6.644 5.865 4.041) 9.740 3.442 ( 2.925 2.839 -3.176) 5.168 3.533 ( -3.124 -2.307 -0.080) 3.885 3.570 ( -7.347 -9.341 -3.332) 12.342 3.708 ( -4.423 -0.094 3.815) 5.841 3.790 ( -3.064 -2.528 -2.045) 4.468 3.843 ( -5.052 0.083 0.802) 5.116 4.070 ( 2.387 -0.904 0.659) 2.636 4.093 ( 4.865 10.777 -6.329) 13.412 4.355 ( -1.749 -9.654 -2.260) 10.069 4.431 ( -2.633 7.684 1.866) 8.334 4.510 ( -2.053 3.849 3.618) 5.668 4.791 ( 2.113 1.950 -1.629) 3.305 4.908 ( -2.450 -1.467 -1.239) 3.113 4.925 ( 0.969 -0.457 -0.749) 1.307 5.132 ( -0.886 -5.054 -3.699) 6.325 5.203 ( 4.142 0.407 3.089) 5.183 5.256 ( 1.678 0.283 -2.998) 3.447 5.322 ( 4.883 -0.064 -1.688) 5.167 5.526 ( -1.405 -3.291 1.080) 3.738 5.850 ( 6.103 -5.085 -0.217) 7.947 6.076 ( 3.057 1.398 -1.005) 3.509 6.233 ( 1.383 -4.294 1.629) 4.796 6.417 ( -5.297 -5.296 3.763) 8.383 6.777 ( 23.760 0.917 -0.411) 23.781 7.159 ( 20.367 -0.274 -0.536) 20.376 7.818 ( 6.982 -4.112 -3.107) 8.678 7.999 ( 9.823 -3.024 4.576) 11.251 8.159 ( -3.560 -0.315 -1.734) 3.972 8.268 ( -13.119 0.426 -5.520) 14.239 8.542 ( -6.993 -4.621 6.415) 10.555 8.625 ( 5.645 -0.138 3.957) 6.895 9.305 ( -5.563 4.751 -0.767) 7.355 9.486 ( -10.431 0.636 3.082) 10.896 9.713 ( -1.987 -2.697 -8.507) 9.142 9.999 ( 5.635 0.941 0.384) 5.726 10.389 ( 3.641 3.690 4.002) 6.549 10.465 ( 0.790 1.900 -4.706) 5.136 10.813 ( 4.794 0.319 4.934) 6.887 11.062 ( 5.014 -2.060 -0.715) 5.468 11.275 ( 2.115 -8.413 -6.369) 10.762 11.388 ( 10.597 1.815 4.161) 11.528 11.642 ( -0.518 -0.324 0.888) 1.078 11.987 ( 7.295 -2.420 -0.259) 7.691 14.944 ( -1.104 0.856 -0.667) 1.548 15.115 ( 0.015 0.789 0.390) 0.881 20.363 ( -2.385 0.357 -4.842) 5.409 20.531 ( 3.300 1.235 8.539) 9.237 21.021 ( -0.823 4.674 -2.047) 5.169 21.192 ( 0.129 0.145 -0.268) 0.331 21.438 ( -9.525 9.928 -4.099) 14.356 22.345 ( -2.509 6.377 9.468) 11.688 22.586 ( -10.566 -7.238 -11.087) 16.940 22.714 ( -8.990 -8.361 4.543) 13.091 25.324 ( 10.846 -3.165 -2.110) 11.493 25.329 ( 11.093 0.276 2.187) 11.310 28.240 ( 2.998 -2.307 -2.175) 4.364 28.305 ( -0.925 -0.632 2.180) 2.451 ======================= Grid point 137 (61/95) ======================= q-point: ( 0.56 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 7.254 0.000 3.933) 8.252 1.866 ( 5.197 0.000 6.840) 8.590 1.928 ( 7.376 0.000 2.556) 7.806 2.107 ( 3.882 0.000 5.476) 6.712 2.122 ( -4.881 -0.000 -12.027) 12.980 2.345 ( -12.043 -0.000 -0.875) 12.074 2.567 ( 0.875 0.000 -2.820) 2.952 2.686 ( 0.014 0.000 -13.554) 13.554 2.776 ( -3.067 -0.000 4.557) 5.492 2.978 ( -3.877 -0.000 1.762) 4.258 2.985 ( -2.083 -0.000 11.138) 11.331 3.124 ( 0.506 0.000 -5.797) 5.819 3.250 ( -2.991 -0.000 -5.866) 6.584 3.365 ( -1.104 -0.000 -7.379) 7.461 3.487 ( -8.494 -0.000 2.092) 8.748 3.513 ( 0.115 0.000 3.782) 3.783 3.551 ( -1.399 -0.000 6.477) 6.626 3.741 ( -4.695 -0.000 5.132) 6.956 3.901 ( 0.171 0.000 -7.748) 7.750 3.941 ( 0.719 0.000 6.118) 6.160 4.058 ( -6.453 -0.000 1.028) 6.534 4.179 ( -12.292 -0.000 1.900) 12.438 4.239 ( 0.283 0.000 -2.220) 2.238 4.355 ( -1.427 -0.000 2.082) 2.524 4.606 ( 5.368 0.000 -1.199) 5.500 4.658 ( 2.617 0.000 -2.121) 3.368 4.782 ( 4.002 0.000 -0.991) 4.123 4.855 ( 0.240 0.000 -3.885) 3.892 5.003 ( 0.102 0.000 0.894) 0.900 5.045 ( -8.378 -0.000 4.400) 9.463 5.075 ( 0.810 0.000 -3.967) 4.049 5.168 ( 4.760 0.000 3.438) 5.872 5.269 ( 1.576 0.000 -0.093) 1.579 5.341 ( 9.339 0.000 2.069) 9.565 5.347 ( -1.892 -0.000 -1.723) 2.559 5.635 ( 13.005 0.000 2.748) 13.292 5.762 ( 14.635 0.000 -11.783) 18.789 5.971 ( -2.319 -0.000 7.970) 8.301 6.398 ( 11.517 0.000 -4.478) 12.357 6.729 ( 6.260 0.000 -0.355) 6.270 7.203 ( 1.006 0.000 -0.195) 1.024 7.677 ( 4.135 0.000 0.850) 4.221 8.328 ( 3.334 0.000 5.785) 6.677 8.445 ( 9.436 0.000 18.888) 21.114 8.497 ( -6.883 -0.000 -11.124) 13.081 8.756 ( -10.970 -0.000 -10.366) 15.093 9.435 ( 1.065 0.000 1.035) 1.485 9.473 ( 0.780 0.000 4.368) 4.437 9.965 ( -2.040 -0.000 -1.998) 2.856 10.162 ( -5.441 -0.000 -2.634) 6.045 10.286 ( 3.482 0.000 -0.898) 3.596 10.449 ( 8.737 0.000 -0.748) 8.769 10.643 ( 4.329 0.000 2.981) 5.256 10.724 ( -3.491 -0.000 -6.920) 7.751 10.990 ( 1.383 0.000 0.595) 1.505 11.245 ( -1.455 -0.000 2.356) 2.769 11.366 ( 10.690 0.000 0.674) 10.712 11.568 ( 7.037 0.000 2.529) 7.478 15.030 ( 3.100 0.000 6.693) 7.376 15.169 ( -5.471 -0.000 -7.606) 9.369 20.436 ( 2.726 0.000 6.288) 6.853 20.567 ( -4.727 -0.000 -7.262) 8.664 21.295 ( 1.041 0.000 3.651) 3.796 21.331 ( -4.721 -0.000 -3.077) 5.636 22.187 ( -6.899 -0.000 4.146) 8.049 22.404 ( -3.402 -0.000 -4.302) 5.484 22.614 ( -2.147 -0.000 4.648) 5.120 22.834 ( -7.575 -0.000 -2.684) 8.037 24.768 ( 7.853 0.000 -3.278) 8.510 24.851 ( 12.334 0.000 1.149) 12.388 28.128 ( -0.001 -0.000 1.286) 1.286 28.281 ( 0.772 0.000 -0.434) 0.886 ======================= Grid point 139 (62/95) ======================= q-point: (-0.33 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -12.316 6.412 -2.654) 14.136 1.939 ( 8.662 -0.156 -3.002) 9.169 2.026 ( -3.834 3.916 1.373) 5.650 2.064 ( 3.684 5.704 3.754) 7.759 2.231 ( -4.409 -4.614 -1.646) 6.591 2.324 ( 7.668 -5.649 2.128) 9.759 2.550 ( 2.071 3.443 -0.950) 4.129 2.699 ( -1.352 13.393 -0.967) 13.496 2.745 ( 5.385 2.174 -0.826) 5.866 2.834 ( -7.176 -4.884 4.922) 9.979 3.045 ( -2.401 0.157 0.173) 2.413 3.056 ( -2.376 -9.106 1.990) 9.619 3.163 ( -2.282 0.301 -3.888) 4.518 3.293 ( -4.464 0.494 -4.869) 6.624 3.366 ( -4.123 -5.334 -4.856) 8.308 3.498 ( -3.385 -1.893 3.075) 4.950 3.580 ( 2.232 5.737 3.352) 7.010 3.615 ( -6.371 1.625 1.909) 6.846 3.857 ( -5.132 2.034 -0.427) 5.537 3.909 ( -6.747 2.427 0.670) 7.202 3.922 ( -7.373 -3.286 -1.229) 8.165 3.981 ( -5.867 -3.846 3.065) 7.656 4.266 ( 3.511 4.536 1.220) 5.864 4.319 ( -2.339 -0.039 0.486) 2.389 4.657 ( 3.226 5.041 -1.512) 6.172 4.703 ( 0.930 1.400 0.469) 1.745 4.792 ( 2.664 4.387 -1.261) 5.285 4.872 ( -1.352 -0.904 1.100) 1.963 4.952 ( -0.582 -2.313 -1.327) 2.729 5.006 ( -1.763 0.195 1.732) 2.479 5.141 ( 4.438 -2.208 -6.506) 8.179 5.194 ( 2.059 3.209 2.929) 4.808 5.244 ( -0.245 0.320 1.575) 1.625 5.377 ( 0.754 -6.729 -1.159) 6.870 5.598 ( 11.018 -2.226 0.579) 11.255 5.919 ( 8.069 -1.243 -0.214) 8.167 5.977 ( 14.690 -3.440 -0.525) 15.096 6.129 ( 11.571 -3.505 -8.953) 15.045 6.534 ( 7.796 0.412 10.572) 13.142 6.857 ( 8.976 -0.335 5.270) 10.414 7.426 ( 19.100 -2.053 -14.368) 23.989 7.774 ( 5.950 -0.727 4.337) 7.399 8.328 ( -6.116 2.782 -7.427) 10.015 8.428 ( 1.892 -3.688 0.491) 4.174 8.521 ( -9.932 1.297 0.372) 10.023 8.576 ( -1.433 -1.794 14.776) 14.953 9.445 ( 0.124 3.533 -0.799) 3.625 9.536 ( 5.738 -3.396 -2.721) 7.202 9.804 ( -13.914 1.457 0.940) 14.022 10.068 ( -2.604 2.536 3.890) 5.324 10.403 ( 9.812 2.645 -5.832) 11.717 10.517 ( -1.731 0.485 -3.428) 3.871 10.700 ( 3.544 -0.426 2.133) 4.158 10.780 ( 5.949 -6.442 0.532) 8.785 11.085 ( 6.378 0.127 -5.021) 8.118 11.260 ( 4.500 0.693 1.017) 4.665 11.610 ( 9.344 -0.954 3.153) 9.908 11.686 ( 7.761 -1.803 2.652) 8.397 15.046 ( -3.825 1.892 -3.867) 5.759 15.094 ( 0.622 -1.342 2.966) 3.314 20.466 ( -4.634 0.931 -6.341) 7.909 20.496 ( 3.287 0.601 7.711) 8.404 21.206 ( -6.120 2.511 -3.814) 7.636 21.287 ( -0.943 2.217 1.493) 2.834 21.965 ( -11.360 8.892 3.751) 14.906 22.358 ( -3.826 -5.942 -3.588) 7.926 22.611 ( -1.051 -3.086 2.294) 3.987 22.653 ( -13.361 -3.617 -0.860) 13.868 24.982 ( 13.867 -1.211 -3.291) 14.303 25.111 ( 14.390 0.200 2.168) 14.554 28.148 ( 1.873 -0.435 -0.455) 1.976 28.290 ( 0.125 -0.369 0.995) 1.068 ======================= Grid point 140 (63/95) ======================= q-point: (-0.22 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -4.044 5.530 -3.151) 7.541 1.847 ( -4.666 3.499 2.334) 6.282 2.059 ( -10.917 -0.275 0.128) 10.921 2.140 ( 10.883 0.186 -5.342) 12.125 2.191 ( 5.986 2.505 3.679) 7.459 2.319 ( -8.447 8.570 2.243) 12.240 2.464 ( -1.346 6.590 -6.288) 9.208 2.543 ( -2.604 2.510 4.895) 6.086 2.785 ( -0.987 0.148 0.634) 1.182 2.840 ( -6.596 -10.634 5.836) 13.808 3.010 ( 0.489 -1.459 0.614) 1.657 3.158 ( -0.266 -3.535 -0.926) 3.664 3.168 ( -1.699 -2.056 2.353) 3.556 3.262 ( 2.012 -2.567 -8.633) 9.229 3.363 ( -1.810 -4.909 -4.626) 6.984 3.458 ( 2.028 3.137 1.408) 3.992 3.496 ( -2.492 -0.500 2.622) 3.652 3.572 ( 2.141 3.992 0.117) 4.532 3.706 ( -6.180 0.828 -0.066) 6.235 3.783 ( -5.442 2.037 2.703) 6.408 3.826 ( -4.250 -1.007 -0.001) 4.367 3.994 ( 0.033 -5.769 1.242) 5.902 4.208 ( -6.568 -2.257 3.159) 7.630 4.335 ( 7.604 9.567 -3.839) 12.810 4.622 ( -0.652 10.024 0.971) 10.092 4.639 ( -0.434 7.224 1.545) 7.400 4.831 ( 4.322 1.370 0.055) 4.534 4.874 ( -1.443 -1.827 -0.602) 2.405 4.930 ( -0.306 0.105 -2.614) 2.634 5.003 ( -1.857 -5.324 -0.706) 5.682 5.212 ( 2.693 1.016 1.565) 3.277 5.258 ( 4.379 -0.675 -5.649) 7.179 5.304 ( 5.935 -1.655 -0.872) 6.222 5.426 ( -2.656 -6.500 1.821) 7.254 5.789 ( 8.475 -0.521 -0.073) 8.492 6.059 ( 4.681 -4.001 -1.258) 6.285 6.156 ( 0.909 -1.724 1.324) 2.356 6.295 ( 1.421 -5.830 0.931) 6.073 6.826 ( 23.409 3.009 0.796) 23.615 7.149 ( 20.741 -0.661 1.286) 20.792 7.761 ( 10.987 -1.530 -7.686) 13.496 7.921 ( 5.906 -3.879 8.995) 11.439 8.183 ( -5.508 2.369 -3.882) 7.143 8.292 ( -8.508 1.392 -7.532) 11.447 8.422 ( -6.658 -6.316 5.706) 10.806 8.645 ( 6.013 1.206 8.748) 10.684 9.381 ( -6.020 3.053 -5.620) 8.783 9.482 ( -16.288 -0.575 2.411) 16.475 9.675 ( 4.914 -1.488 -5.689) 7.663 10.022 ( -0.958 1.281 6.972) 7.153 10.450 ( 1.646 3.420 2.042) 4.310 10.564 ( 8.421 5.574 -8.206) 13.013 10.798 ( 4.206 -1.314 4.993) 6.659 10.956 ( 4.555 -7.763 -0.370) 9.008 11.167 ( 2.344 -2.484 -5.035) 6.084 11.411 ( 10.858 0.630 1.030) 10.925 11.646 ( -1.339 0.681 2.171) 2.640 11.929 ( 10.476 -2.859 1.064) 10.911 14.961 ( -2.683 0.755 -3.321) 4.336 15.119 ( 0.411 -0.156 2.841) 2.875 20.374 ( -3.597 0.648 -5.244) 6.392 20.558 ( 3.461 1.219 9.073) 9.787 21.077 ( -4.597 1.385 -4.720) 6.733 21.234 ( -1.568 3.016 -0.259) 3.409 21.650 ( -11.331 10.485 1.319) 15.494 22.352 ( -4.923 -5.959 2.848) 8.238 22.436 ( -12.943 -6.285 -3.727) 14.863 22.634 ( 2.133 0.461 0.817) 2.331 25.254 ( 12.342 -2.641 -2.944) 12.960 25.348 ( 10.674 0.667 2.666) 11.022 28.203 ( 3.062 -1.311 -1.694) 3.737 28.294 ( -0.248 -0.362 1.911) 1.960 ======================= Grid point 141 (64/95) ======================= q-point: (-0.11 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -0.086 4.719 2.599) 5.389 1.794 ( 1.591 5.244 0.956) 5.562 1.890 ( -9.304 -6.670 0.233) 11.450 2.029 ( -5.243 8.604 3.342) 10.616 2.229 ( -6.327 0.475 -1.193) 6.456 2.318 ( 7.482 -1.021 -4.385) 8.732 2.397 ( 1.455 6.991 -4.614) 8.502 2.497 ( -0.966 2.638 1.903) 3.393 2.728 ( -0.238 -1.576 -1.993) 2.552 2.845 ( -5.825 -12.074 5.352) 14.434 3.004 ( -1.388 2.495 3.558) 4.562 3.152 ( -0.762 -3.884 -0.649) 4.011 3.172 ( -1.682 -2.741 0.447) 3.246 3.313 ( 3.530 0.543 -6.119) 7.085 3.329 ( -2.688 -3.172 -1.141) 4.312 3.499 ( 0.242 -1.025 4.653) 4.770 3.538 ( 3.226 2.041 -2.809) 4.740 3.571 ( -2.375 -0.052 3.485) 4.218 3.643 ( -1.080 2.280 0.982) 2.708 3.708 ( 1.810 -1.436 1.697) 2.867 3.800 ( 0.879 1.348 0.122) 1.614 4.060 ( 0.476 -3.682 1.504) 4.006 4.121 ( -7.473 -8.387 -3.483) 11.761 4.358 ( 4.710 9.232 -2.231) 10.602 4.468 ( -3.198 10.830 2.732) 11.618 4.576 ( 1.144 7.356 1.581) 7.611 4.834 ( -2.559 -0.484 -0.944) 2.770 4.911 ( 3.921 1.000 1.011) 4.171 4.956 ( 3.135 0.511 -4.733) 5.700 5.049 ( 0.525 -6.766 -4.377) 8.075 5.243 ( 0.140 -0.429 2.047) 2.096 5.290 ( 0.276 1.622 -3.353) 3.735 5.406 ( -1.351 -2.625 0.376) 2.976 5.468 ( 5.166 -2.398 0.534) 5.720 5.931 ( 5.886 -1.231 -0.985) 6.093 6.107 ( 0.320 1.686 -0.692) 1.850 6.199 ( 0.165 -4.303 2.035) 4.762 6.316 ( -1.729 -1.579 3.286) 4.035 7.248 ( 23.083 2.643 -1.461) 23.280 7.452 ( 3.869 -0.132 -0.539) 3.908 7.761 ( -11.648 -0.543 3.195) 12.090 7.918 ( -1.343 -2.793 -2.626) 4.062 8.154 ( 3.308 1.562 -0.878) 3.762 8.360 ( 14.511 0.197 -1.216) 14.563 8.439 ( 1.807 -6.076 3.870) 7.426 8.699 ( -0.751 2.252 2.253) 3.273 9.027 ( -21.214 2.004 10.141) 23.598 9.401 ( 0.317 -2.898 -12.582) 12.916 9.708 ( 0.784 2.793 -3.931) 4.886 10.017 ( -1.856 -4.546 0.804) 4.975 10.490 ( 6.116 6.553 4.784) 10.161 10.605 ( 3.086 6.214 -6.495) 9.504 10.845 ( -1.381 -0.745 6.739) 6.919 11.080 ( 1.789 -4.373 2.022) 5.140 11.241 ( 1.778 -5.557 -4.843) 7.582 11.582 ( 3.602 1.572 0.394) 3.950 11.613 ( 1.915 -1.013 2.536) 3.336 12.075 ( 3.233 -0.248 -1.849) 3.733 14.932 ( -0.233 -0.467 -0.179) 0.552 15.116 ( -0.741 0.319 0.292) 0.857 20.317 ( -2.030 -0.240 -4.100) 4.581 20.604 ( 1.930 1.415 9.187) 9.493 21.024 ( -0.091 -1.063 -4.924) 5.039 21.185 ( -1.149 0.694 -1.452) 1.978 21.369 ( -8.316 8.179 -0.290) 11.668 22.208 ( -10.989 -3.701 7.248) 13.675 22.409 ( -1.136 -7.298 -5.705) 9.333 22.688 ( 6.735 5.260 -0.072) 8.546 25.449 ( 5.302 -2.009 -2.179) 6.074 25.479 ( 4.099 0.927 2.329) 4.805 28.271 ( 2.102 -0.773 -1.311) 2.595 28.292 ( 0.139 -0.287 1.343) 1.380 ======================= Grid point 148 (65/95) ======================= q-point: ( 0.67 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -4.758 -0.000 1.046) 4.872 1.849 ( -9.501 -0.000 -0.765) 9.532 2.083 ( -9.829 -0.000 2.251) 10.083 2.134 ( 8.926 0.000 -5.437) 10.452 2.198 ( 8.153 0.000 -1.210) 8.242 2.403 ( 0.337 0.000 4.116) 4.129 2.572 ( -9.597 -0.000 -3.382) 10.176 2.620 ( -7.961 -0.000 1.840) 8.171 2.731 ( 0.578 0.000 12.145) 12.159 2.786 ( -2.676 -0.000 0.235) 2.686 2.963 ( -1.521 -0.000 1.817) 2.370 3.105 ( 2.861 0.000 -0.725) 2.952 3.124 ( -9.525 -0.000 -12.065) 15.372 3.167 ( 1.780 0.000 -3.216) 3.675 3.391 ( 9.056 0.000 -4.376) 10.057 3.447 ( -0.826 -0.000 5.533) 5.594 3.550 ( 0.044 0.000 -3.337) 3.338 3.573 ( -5.824 -0.000 0.242) 5.829 3.722 ( -8.057 -0.000 0.455) 8.070 3.788 ( -6.593 -0.000 3.295) 7.371 3.847 ( 1.292 0.000 0.355) 1.340 3.917 ( -1.051 -0.000 -0.911) 1.391 4.191 ( -7.140 -0.000 7.928) 10.669 4.453 ( 9.092 0.000 -3.494) 9.741 4.732 ( 1.827 0.000 0.235) 1.842 4.732 ( 0.390 0.000 1.478) 1.529 4.818 ( -1.302 -0.000 -0.975) 1.627 4.857 ( 2.368 0.000 0.915) 2.539 4.916 ( -7.619 -0.000 0.354) 7.627 4.980 ( 2.777 0.000 -2.299) 3.605 5.234 ( 5.467 0.000 -6.601) 8.572 5.261 ( 2.196 0.000 4.761) 5.243 5.272 ( 3.854 0.000 1.514) 4.140 5.323 ( -0.659 -0.000 -3.742) 3.799 5.804 ( 11.453 0.000 -0.447) 11.462 5.995 ( 4.337 0.000 -0.246) 4.344 6.139 ( -3.556 -0.000 2.236) 4.201 6.234 ( 7.877 0.000 -1.489) 8.016 6.862 ( 23.306 0.000 0.202) 23.306 7.141 ( 20.936 0.000 2.678) 21.107 7.749 ( 13.894 0.000 -11.201) 17.847 7.877 ( 2.789 0.000 12.049) 12.367 8.223 ( -5.611 -0.000 -9.820) 11.310 8.321 ( -5.391 -0.000 -5.757) 7.887 8.327 ( -8.348 -0.000 9.214) 12.434 8.659 ( 5.840 0.000 9.716) 11.336 9.418 ( -3.581 -0.000 -11.186) 11.746 9.472 ( -21.503 -0.000 5.243) 22.133 9.658 ( 8.102 0.000 -3.822) 8.958 10.038 ( -4.512 -0.000 9.121) 10.176 10.508 ( 3.928 0.000 2.263) 4.534 10.617 ( 9.923 0.000 -11.027) 14.835 10.777 ( 2.855 0.000 4.797) 5.582 10.863 ( 6.629 0.000 -0.765) 6.673 11.142 ( 0.777 0.000 -3.060) 3.157 11.418 ( 10.587 0.000 -0.416) 10.595 11.656 ( -1.541 -0.000 2.962) 3.339 11.896 ( 11.917 0.000 1.496) 12.010 14.970 ( -3.354 -0.000 -4.820) 5.872 15.116 ( 0.653 0.000 4.267) 4.317 20.382 ( -4.082 -0.000 -5.448) 6.807 20.571 ( 3.500 0.000 9.332) 9.967 21.090 ( -6.271 -0.000 -5.493) 8.336 21.270 ( -2.067 -0.000 -0.862) 2.240 21.781 ( -13.782 -0.000 6.883) 15.405 22.249 ( -2.107 -0.000 -6.736) 7.058 22.374 ( -14.168 -0.000 1.601) 14.258 22.650 ( 5.008 0.000 0.799) 5.071 25.227 ( 12.573 0.000 -3.400) 13.024 25.355 ( 10.823 0.000 3.022) 11.237 28.190 ( 3.025 0.000 -1.548) 3.398 28.291 ( 0.002 0.000 1.829) 1.829 ======================= Grid point 150 (66/95) ======================= q-point: (-0.22 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -1.493 4.121 6.868) 8.147 1.720 ( -8.054 -6.049 -4.636) 11.088 1.905 ( -6.701 2.668 2.188) 7.537 2.189 ( -2.620 4.117 3.129) 5.797 2.276 ( -2.147 2.336 2.102) 3.806 2.349 ( -1.763 7.399 -2.329) 7.955 2.440 ( -0.080 -1.430 -2.507) 2.887 2.522 ( -2.317 -6.406 -0.349) 6.821 2.708 ( -3.304 0.607 4.479) 5.599 2.752 ( 2.479 4.996 -0.727) 5.625 2.989 ( -7.397 -7.527 -8.756) 13.713 3.000 ( 3.670 -3.322 2.862) 5.718 3.119 ( -2.675 -4.563 -1.105) 5.403 3.186 ( 0.690 -1.620 0.410) 1.808 3.419 ( -2.392 2.213 -5.523) 6.413 3.456 ( -0.514 -0.813 4.749) 4.846 3.572 ( 0.455 0.893 1.475) 1.784 3.601 ( -1.572 1.992 1.608) 3.004 3.636 ( 5.766 0.164 -1.699) 6.014 3.707 ( -1.047 -1.521 1.958) 2.691 3.849 ( 0.094 0.474 -2.129) 2.183 3.941 ( -0.042 -2.626 -5.367) 5.975 4.067 ( -5.461 -0.158 8.492) 10.097 4.554 ( 4.077 9.198 -2.038) 10.266 4.668 ( -5.311 4.697 3.495) 7.905 4.713 ( 1.614 7.548 0.699) 7.750 4.812 ( -1.795 -3.369 -5.274) 6.511 4.845 ( -0.088 -6.704 0.657) 6.737 4.932 ( 5.366 0.488 1.544) 5.605 5.017 ( 2.108 1.454 -2.696) 3.718 5.230 ( -2.475 -1.346 -2.125) 3.529 5.303 ( 0.041 -0.394 -1.965) 2.004 5.317 ( -1.072 -3.624 3.354) 5.053 5.442 ( 9.175 -0.362 -2.802) 9.600 5.959 ( 5.327 4.157 0.790) 6.804 6.079 ( 3.375 -6.902 2.176) 7.985 6.129 ( 3.122 0.494 -1.709) 3.594 6.296 ( 0.117 -0.447 1.782) 1.841 7.298 ( 22.963 1.741 -1.592) 23.084 7.452 ( 3.172 0.062 -0.027) 3.173 7.752 ( -12.378 -0.272 2.263) 12.586 7.873 ( 3.666 -1.344 -1.489) 4.179 8.193 ( 2.191 2.129 -0.570) 3.108 8.320 ( 4.870 -3.893 2.338) 6.659 8.377 ( 11.803 0.045 -0.663) 11.822 8.733 ( 0.572 0.949 3.480) 3.653 9.053 ( -22.486 0.612 10.587) 24.861 9.360 ( -0.616 -1.041 -16.129) 16.174 9.767 ( 3.591 2.416 -4.422) 6.188 9.937 ( -5.600 -2.876 5.866) 8.605 10.619 ( 8.089 5.267 4.347) 10.586 10.701 ( 0.617 3.328 -5.792) 6.708 10.823 ( 0.581 -2.905 2.482) 3.865 10.993 ( 5.318 -1.679 0.532) 5.602 11.156 ( 0.203 -3.210 -1.925) 3.748 11.602 ( 7.881 0.145 2.027) 8.138 11.603 ( -2.954 0.229 1.212) 3.201 12.064 ( 5.067 -0.532 -1.661) 5.359 14.927 ( -0.982 -0.096 -1.524) 1.816 15.116 ( -0.996 -0.123 1.546) 1.843 20.315 ( -2.499 0.022 -4.031) 4.743 20.628 ( 1.754 0.708 9.288) 9.478 20.997 ( -3.041 -0.943 -6.696) 7.414 21.218 ( -2.393 1.386 -2.452) 3.695 21.507 ( -12.601 4.443 5.113) 14.306 22.134 ( -11.742 -2.493 7.769) 14.298 22.284 ( 2.861 -4.062 -9.548) 10.764 22.774 ( 9.358 2.498 0.363) 9.693 25.415 ( 6.754 -0.982 -3.302) 7.581 25.497 ( 4.085 0.499 3.462) 5.378 28.256 ( 3.901 -0.429 -1.924) 4.370 28.291 ( -0.254 0.028 1.995) 2.012 ======================= Grid point 151 (67/95) ======================= q-point: (-0.11 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -7.811 2.144 3.195) 8.707 1.589 ( -13.305 -8.570 -3.132) 16.133 1.833 ( 0.625 2.046 -1.962) 2.903 2.015 ( -8.514 5.488 4.458) 11.067 2.157 ( -0.944 3.796 3.864) 5.498 2.321 ( -5.872 -6.343 -1.271) 8.737 2.473 ( 0.966 1.304 -1.455) 2.180 2.559 ( 9.297 1.145 -1.581) 9.500 2.747 ( 2.460 -0.610 2.514) 3.570 2.788 ( 3.699 2.146 -0.879) 4.366 3.002 ( 1.196 -9.924 -2.678) 10.348 3.033 ( -2.042 -0.551 -1.319) 2.493 3.143 ( -0.894 -3.819 3.491) 5.251 3.255 ( 2.632 -4.071 -1.062) 4.962 3.361 ( -1.917 -1.311 -3.029) 3.816 3.442 ( -6.411 -1.868 10.807) 12.703 3.519 ( 2.821 1.142 -0.407) 3.071 3.584 ( -2.070 2.346 -0.444) 3.160 3.687 ( 3.232 2.425 -1.202) 4.216 3.765 ( 2.931 0.639 -3.242) 4.417 3.864 ( -6.058 -9.720 -2.357) 11.694 3.875 ( 0.728 3.577 -1.205) 3.844 4.080 ( 4.161 1.080 -0.496) 4.328 4.407 ( -6.955 5.510 2.186) 9.138 4.555 ( 0.907 10.290 1.942) 10.510 4.702 ( 3.393 7.119 -0.683) 7.916 4.818 ( 0.886 1.739 -5.929) 6.242 4.910 ( 0.261 -4.397 -0.139) 4.407 5.028 ( 1.829 -0.671 -1.840) 2.680 5.041 ( 3.367 -1.134 -0.568) 3.598 5.190 ( -4.848 -1.831 3.420) 6.209 5.270 ( -2.045 -2.035 -2.507) 3.822 5.323 ( -1.734 -1.924 1.476) 2.981 5.564 ( 3.027 -0.853 -0.959) 3.288 6.028 ( 5.196 0.807 0.093) 5.259 6.160 ( 2.049 2.579 -4.574) 5.637 6.200 ( 1.618 -0.631 4.493) 4.817 6.299 ( 0.482 -0.088 3.075) 3.113 7.280 ( -14.388 -0.509 -5.174) 15.298 7.394 ( -16.344 -0.375 3.300) 16.678 7.707 ( 14.913 1.247 3.215) 15.306 8.057 ( 5.345 3.320 -6.415) 8.985 8.175 ( -1.261 0.613 0.606) 1.527 8.433 ( 1.128 -3.926 1.199) 4.257 8.566 ( -2.239 -0.357 3.366) 4.059 8.658 ( -2.822 3.138 -0.006) 4.220 8.864 ( 12.120 -0.339 11.016) 16.382 9.377 ( -0.668 -2.483 -7.445) 7.877 9.769 ( 3.872 2.654 -6.825) 8.284 9.928 ( -1.914 -4.826 -0.326) 5.202 10.595 ( -7.379 2.604 -0.938) 7.881 10.662 ( 1.562 5.683 2.881) 6.560 10.796 ( -4.034 2.824 -1.792) 5.240 11.091 ( 1.939 -1.980 3.595) 4.539 11.208 ( 1.093 -4.477 2.193) 5.103 11.539 ( -2.885 -0.014 -3.482) 4.521 11.718 ( 3.718 0.471 5.241) 6.443 12.082 ( -2.659 0.561 -4.465) 5.227 14.928 ( 0.399 -0.780 1.236) 1.515 15.090 ( -1.835 -0.580 -0.858) 2.107 20.284 ( -0.845 -0.240 -2.713) 2.852 20.631 ( -1.091 0.717 7.134) 7.252 21.005 ( 1.873 -4.639 -6.859) 8.490 21.160 ( -2.607 0.622 -0.527) 2.732 21.265 ( -8.714 3.414 0.445) 9.369 22.001 ( -6.764 -4.415 10.002) 12.856 22.424 ( 9.081 -2.568 -7.890) 12.301 22.943 ( 13.301 6.299 0.320) 14.721 25.470 ( -1.997 0.045 -1.813) 2.698 25.500 ( -2.848 0.545 2.334) 3.723 28.274 ( -1.111 0.660 1.045) 1.662 28.335 ( 3.990 0.203 -1.199) 4.171 ======================= Grid point 159 (68/95) ======================= q-point: (-0.22 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -6.062 -0.000 16.594) 17.667 1.432 ( -17.520 -0.000 -16.036) 23.751 1.862 ( 1.488 0.000 -3.999) 4.267 2.158 ( -14.967 -0.000 2.561) 15.185 2.169 ( -4.086 -0.000 9.073) 9.951 2.224 ( -4.522 -0.000 5.592) 7.191 2.451 ( -5.480 -0.000 -9.133) 10.651 2.579 ( 13.625 0.000 3.593) 14.091 2.743 ( 4.693 0.000 3.584) 5.905 2.838 ( 4.163 0.000 -4.642) 6.235 2.868 ( 0.920 0.000 -7.037) 7.097 3.039 ( -2.652 -0.000 -5.355) 5.975 3.084 ( 2.605 0.000 6.489) 6.992 3.211 ( 3.216 0.000 0.995) 3.366 3.349 ( -4.022 -0.000 -6.157) 7.354 3.431 ( -5.194 -0.000 11.145) 12.296 3.533 ( 1.002 0.000 0.311) 1.049 3.616 ( 1.054 0.000 2.387) 2.610 3.716 ( -7.355 -0.000 0.710) 7.389 3.742 ( 6.399 0.000 -1.789) 6.644 3.772 ( 1.413 0.000 -7.644) 7.774 3.917 ( -1.111 -0.000 -1.968) 2.260 4.098 ( 5.796 0.000 1.006) 5.883 4.476 ( -10.047 -0.000 1.753) 10.199 4.716 ( 2.277 0.000 0.023) 2.277 4.747 ( -0.521 -0.000 -2.343) 2.401 4.825 ( 0.837 0.000 3.698) 3.792 4.846 ( 5.952 0.000 -7.481) 9.560 5.010 ( 2.986 0.000 -0.645) 3.055 5.093 ( 4.350 0.000 1.868) 4.734 5.111 ( -6.523 -0.000 0.453) 6.539 5.243 ( -5.419 -0.000 -0.498) 5.442 5.312 ( -0.205 -0.000 1.650) 1.663 5.549 ( 2.231 0.000 -1.524) 2.702 6.039 ( 5.273 0.000 1.664) 5.530 6.188 ( 4.044 0.000 4.758) 6.244 6.194 ( 2.753 0.000 -5.690) 6.321 6.292 ( 1.378 0.000 1.730) 2.212 7.274 ( -13.809 -0.000 -5.265) 14.779 7.390 ( -18.107 -0.000 3.843) 18.511 7.721 ( 14.555 0.000 2.996) 14.860 8.091 ( 11.703 0.000 -7.923) 14.133 8.185 ( -4.324 -0.000 1.356) 4.531 8.387 ( 3.418 0.000 1.141) 3.604 8.565 ( -3.728 -0.000 4.249) 5.653 8.695 ( -3.886 -0.000 -1.019) 4.018 8.855 ( 12.475 0.000 12.725) 17.820 9.350 ( -0.542 -0.000 -9.111) 9.128 9.820 ( -0.066 -0.000 -6.816) 6.817 9.855 ( 0.787 0.000 0.985) 1.261 10.616 ( -8.970 -0.000 7.021) 11.392 10.722 ( -1.722 -0.000 -7.113) 7.319 10.851 ( 1.988 0.000 -2.191) 2.958 11.058 ( 0.607 0.000 -0.849) 1.044 11.156 ( 3.417 0.000 8.079) 8.771 11.541 ( -2.924 -0.000 -2.523) 3.862 11.720 ( 3.968 0.000 5.362) 6.671 12.086 ( -2.251 -0.000 -5.082) 5.559 14.920 ( 0.235 0.000 0.938) 0.967 15.083 ( -2.406 -0.000 -0.501) 2.457 20.282 ( -0.815 -0.000 -2.642) 2.764 20.640 ( -1.580 -0.000 6.932) 7.109 20.954 ( -0.092 -0.000 -8.033) 8.034 21.171 ( -3.371 -0.000 -0.999) 3.516 21.304 ( -10.763 -0.000 2.683) 11.092 21.953 ( -6.923 -0.000 11.681) 13.578 22.397 ( 11.452 0.000 -10.107) 15.274 23.007 ( 14.172 0.000 0.365) 14.177 25.467 ( -0.571 -0.000 -3.546) 3.591 25.508 ( -3.438 -0.000 4.205) 5.432 28.281 ( -1.069 -0.000 1.457) 1.807 28.337 ( 5.024 0.000 -1.662) 5.292 ======================= Grid point 160 (69/95) ======================= q-point: (-0.11 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -17.853 -1.295 -15.304) 23.551 1.313 ( -10.993 -5.743 14.573) 19.136 1.819 ( -8.161 5.637 7.143) 12.223 2.001 ( 5.543 2.684 -10.936) 12.551 2.058 ( -11.035 -3.931 -12.349) 17.021 2.160 ( -3.464 -7.486 11.241) 13.943 2.366 ( -8.570 -6.042 8.968) 13.797 2.733 ( -2.180 3.102 4.284) 5.721 2.782 ( 1.719 0.015 3.407) 3.816 2.915 ( 6.302 4.870 -4.323) 9.062 2.923 ( -4.042 -5.469 -5.439) 8.708 3.014 ( -0.461 -0.514 -7.467) 7.499 3.111 ( 0.838 -1.581 5.998) 6.259 3.254 ( 3.505 -2.287 -2.529) 4.890 3.282 ( -7.806 0.720 10.646) 13.221 3.378 ( 7.369 -1.238 -0.223) 7.476 3.543 ( 1.282 3.570 -1.371) 4.034 3.636 ( 0.923 -6.300 -1.537) 6.550 3.711 ( 7.835 1.393 -0.229) 7.961 3.824 ( 4.080 0.389 -4.354) 5.980 3.865 ( 2.808 4.041 -3.387) 5.974 3.919 ( 6.154 -1.021 -3.398) 7.104 4.202 ( 5.565 1.802 -0.393) 5.863 4.334 ( -3.612 1.566 0.568) 3.978 4.673 ( 1.350 8.783 0.824) 8.924 4.772 ( 0.762 0.508 0.027) 0.916 4.845 ( -0.757 -1.496 0.932) 1.918 4.930 ( 3.771 3.141 -4.306) 6.529 4.974 ( -4.613 0.165 1.489) 4.850 5.069 ( -1.007 -2.844 -0.711) 3.100 5.141 ( -0.209 0.096 3.536) 3.543 5.189 ( -0.155 -4.842 -0.397) 4.861 5.303 ( -0.289 0.165 0.065) 0.339 5.569 ( 0.184 -1.187 -4.510) 4.667 6.092 ( -2.801 2.324 0.252) 3.649 6.144 ( -5.983 -1.549 4.628) 7.721 6.203 ( -0.126 1.780 -7.278) 7.494 6.329 ( -1.181 1.084 9.790) 9.920 7.027 ( -13.114 2.944 -2.545) 13.680 7.088 ( -12.842 -3.049 -1.547) 13.290 7.871 ( -0.005 -0.239 2.325) 2.338 7.910 ( -13.989 1.940 -0.221) 14.125 8.302 ( 7.504 3.002 -2.464) 8.450 8.466 ( 6.324 1.345 4.433) 7.840 8.560 ( 1.526 2.033 2.151) 3.330 8.670 ( 5.265 -3.669 -1.737) 6.648 9.189 ( 12.115 1.020 3.296) 12.597 9.303 ( -2.448 -3.234 1.798) 4.437 9.813 ( 0.731 -2.948 -7.739) 8.314 9.929 ( 5.180 1.063 -2.526) 5.860 10.420 ( -10.076 0.293 2.428) 10.368 10.661 ( -3.966 0.969 0.648) 4.134 10.754 ( -7.004 6.931 -7.090) 12.139 11.020 ( -6.691 -2.475 0.600) 7.159 11.268 ( 5.589 -0.282 11.510) 12.798 11.487 ( -2.657 0.362 -7.343) 7.818 11.760 ( 0.096 0.360 7.002) 7.012 11.985 ( -7.188 0.186 -6.693) 9.823 14.932 ( 0.405 -0.441 2.339) 2.415 15.038 ( -2.486 -1.374 -1.912) 3.424 20.278 ( 0.461 0.046 -1.406) 1.480 20.590 ( -3.723 -0.320 3.697) 5.256 20.998 ( 3.358 -5.017 -8.208) 10.189 21.065 ( -8.036 0.028 8.326) 11.572 21.172 ( -2.542 0.429 -7.441) 7.875 21.897 ( -1.792 -2.535 13.513) 13.865 22.662 ( 17.321 0.561 -7.816) 19.011 23.289 ( 17.980 4.298 0.157) 18.488 25.369 ( -9.610 1.693 0.633) 9.778 25.392 ( -8.850 -0.569 0.645) 8.892 28.252 ( -1.789 0.320 -0.152) 1.824 28.430 ( 5.242 1.426 -0.749) 5.483 ======================= Grid point 169 (70/95) ======================= q-point: (-0.11 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -10.787 -0.000 -1.922) 10.957 1.029 ( -17.188 -0.000 17.347) 24.420 1.706 ( -10.028 -0.000 -8.440) 13.107 1.758 ( -15.669 -0.000 -16.096) 22.463 1.865 ( -25.243 -0.000 22.614) 33.891 2.156 ( 5.453 0.000 -1.217) 5.587 2.184 ( -1.731 -0.000 1.373) 2.209 2.641 ( -12.448 -0.000 -11.166) 16.722 2.645 ( -5.929 -0.000 8.096) 10.035 2.870 ( 6.890 0.000 -3.004) 7.517 3.034 ( -0.906 -0.000 3.449) 3.566 3.040 ( 2.214 0.000 -5.743) 6.155 3.139 ( 6.645 0.000 0.209) 6.649 3.222 ( -2.074 -0.000 11.636) 11.820 3.256 ( -2.500 -0.000 -4.120) 4.819 3.655 ( 18.300 0.000 5.984) 19.253 3.672 ( 6.490 0.000 -9.408) 11.429 3.703 ( 10.553 0.000 -1.139) 10.614 3.840 ( -1.527 -0.000 -0.155) 1.535 3.852 ( 5.533 0.000 -2.655) 6.138 3.951 ( 9.735 0.000 -4.947) 10.920 4.127 ( 9.149 0.000 -3.984) 9.979 4.295 ( 3.297 0.000 1.993) 3.852 4.318 ( 2.957 0.000 -0.306) 2.973 4.741 ( -1.188 -0.000 2.410) 2.686 4.777 ( -3.867 -0.000 4.609) 6.016 4.790 ( 1.849 0.000 -2.000) 2.723 4.921 ( -1.696 -0.000 0.179) 1.706 5.003 ( -0.000 -0.000 -0.492) 0.492 5.068 ( -0.778 -0.000 3.178) 3.272 5.074 ( 1.852 0.000 -2.489) 3.103 5.196 ( 0.069 0.000 -2.198) 2.199 5.320 ( 3.078 0.000 0.282) 3.090 5.573 ( 1.763 0.000 -9.338) 9.503 5.924 ( -13.869 -0.000 0.246) 13.871 5.998 ( -8.882 -0.000 -3.095) 9.406 6.160 ( -5.857 -0.000 -3.367) 6.756 6.239 ( -10.020 -0.000 17.358) 20.042 6.825 ( -10.055 -0.000 1.274) 10.135 6.845 ( -13.064 -0.000 1.459) 13.146 7.765 ( -1.349 -0.000 -3.420) 3.677 7.818 ( -3.406 -0.000 -0.623) 3.462 8.461 ( 9.367 0.000 -10.500) 14.071 8.499 ( -3.909 -0.000 10.693) 11.385 8.761 ( 10.955 0.000 5.886) 12.436 8.776 ( 12.232 0.000 -1.325) 12.304 9.114 ( -13.188 -0.000 7.405) 15.125 9.270 ( -6.038 -0.000 -9.574) 11.319 9.927 ( 12.266 0.000 0.634) 12.283 9.980 ( -0.154 -0.000 -1.921) 1.927 10.332 ( 1.018 0.000 -4.069) 4.194 10.571 ( -6.728 -0.000 3.674) 7.666 10.614 ( -10.750 -0.000 -7.248) 12.965 10.842 ( -11.614 -0.000 0.339) 11.619 11.358 ( 2.495 0.000 9.210) 9.541 11.421 ( -4.066 -0.000 -10.885) 11.620 11.750 ( -1.577 -0.000 7.237) 7.407 11.848 ( -5.673 -0.000 -5.294) 7.760 14.935 ( -0.081 -0.000 2.508) 2.509 14.980 ( -2.206 -0.000 -2.136) 3.070 20.295 ( 1.373 0.000 -0.118) 1.378 20.511 ( -4.222 -0.000 1.410) 4.451 20.925 ( -7.024 -0.000 9.167) 11.548 21.032 ( 4.279 0.000 -8.999) 9.964 21.144 ( -0.133 -0.000 -4.128) 4.130 21.892 ( 0.684 0.000 13.799) 13.816 23.025 ( 20.707 0.000 -4.756) 21.246 23.677 ( 20.801 0.000 -1.820) 20.880 25.159 ( -14.706 -0.000 -3.473) 15.111 25.167 ( -13.615 -0.000 5.569) 14.710 28.224 ( -0.787 -0.000 -2.335) 2.464 28.544 ( 5.624 0.000 -1.072) 5.725 ======================= Grid point 170 (71/95) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 3.724 0.000 -16.072) 16.498 0.909 ( -3.724 -0.000 16.072) 16.498 1.006 ( 4.194 0.000 -22.692) 23.076 1.006 ( -4.194 -0.000 22.692) 23.076 1.825 ( -1.577 -0.000 -38.707) 38.739 1.825 ( 1.577 0.000 38.707) 38.739 2.314 ( 6.399 0.000 -6.036) 8.797 2.314 ( -6.399 -0.000 6.036) 8.797 2.838 ( 0.197 0.000 -11.707) 11.708 2.838 ( -0.197 -0.000 11.707) 11.708 3.116 ( 1.324 0.000 -5.122) 5.290 3.116 ( -1.324 -0.000 5.122) 5.290 3.180 ( 4.814 0.000 -2.490) 5.419 3.180 ( -4.814 -0.000 2.490) 5.419 3.475 ( 4.516 0.000 -11.208) 12.084 3.475 ( -4.516 -0.000 11.208) 12.084 3.873 ( 0.369 0.000 -4.082) 4.098 3.873 ( -0.369 -0.000 4.082) 4.098 4.040 ( -4.228 -0.000 -3.235) 5.324 4.040 ( 4.228 0.000 3.235) 5.324 4.230 ( 0.409 0.000 -0.171) 0.443 4.230 ( -0.409 -0.000 0.171) 0.443 4.452 ( -2.643 -0.000 0.125) 2.646 4.452 ( 2.643 0.000 -0.125) 2.646 4.750 ( 2.400 0.000 -7.891) 8.248 4.750 ( -2.400 -0.000 7.891) 8.248 4.817 ( -2.311 -0.000 -1.400) 2.701 4.817 ( 2.311 0.000 1.400) 2.701 4.951 ( -5.727 -0.000 0.066) 5.727 4.951 ( 5.727 0.000 -0.066) 5.727 5.266 ( 2.953 0.000 -4.341) 5.251 5.266 ( -2.953 -0.000 4.341) 5.251 5.485 ( 10.009 0.000 -5.605) 11.472 5.485 ( -10.009 -0.000 5.605) 11.472 5.572 ( 9.433 0.000 -12.043) 15.297 5.572 ( -9.433 -0.000 12.043) 15.297 6.170 ( 14.016 0.000 -8.126) 16.201 6.170 ( -14.016 -0.000 8.126) 16.201 6.504 ( -2.551 -0.000 -1.579) 3.000 6.504 ( 2.551 0.000 1.579) 3.000 7.815 ( 0.329 0.000 -2.169) 2.194 7.815 ( -0.329 -0.000 2.169) 2.194 8.504 ( 8.146 0.000 -8.822) 12.008 8.504 ( -8.146 -0.000 8.822) 12.008 8.726 ( 17.335 0.000 -21.352) 27.503 8.726 ( -17.335 -0.000 21.352) 27.503 9.322 ( 1.473 0.000 -4.460) 4.697 9.322 ( -1.473 -0.000 4.460) 4.697 9.930 ( -10.303 -0.000 3.066) 10.749 9.930 ( 10.303 0.000 -3.066) 10.749 10.312 ( 8.918 0.000 -10.543) 13.808 10.312 ( -8.918 -0.000 10.543) 13.808 10.418 ( -0.982 -0.000 -2.289) 2.491 10.418 ( 0.982 0.000 2.289) 2.491 11.308 ( -7.959 -0.000 2.503) 8.343 11.308 ( 7.959 0.000 -2.503) 8.343 11.783 ( 2.498 0.000 -3.987) 4.705 11.783 ( -2.498 -0.000 3.987) 4.705 14.935 ( 1.383 0.000 -1.120) 1.780 14.935 ( -1.383 -0.000 1.120) 1.780 20.412 ( -2.069 -0.000 0.392) 2.106 20.412 ( 2.069 0.000 -0.392) 2.106 20.961 ( 3.543 0.000 -10.778) 11.346 20.961 ( -3.543 -0.000 10.778) 11.346 21.812 ( -23.163 -0.000 1.270) 23.197 21.812 ( 23.163 0.000 -1.270) 23.197 23.821 ( -11.286 -0.000 -11.836) 16.355 23.821 ( 11.286 0.000 11.836) 16.355 24.663 ( 5.990 0.000 -5.324) 8.014 24.663 ( -5.990 -0.000 5.324) 8.014 28.289 ( -10.326 -0.000 0.824) 10.359 28.289 ( 10.326 0.000 -0.824) 10.359 ======================= Grid point 172 (72/95) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 0.936 -5.207 3.576) 6.386 1.129 ( 14.138 -7.461 14.587) 21.641 1.163 ( 16.353 -0.624 -18.008) 24.333 1.270 ( 14.700 -9.225 -7.341) 18.843 1.868 ( 7.915 -8.753 -14.057) 18.353 1.972 ( 8.063 -7.895 33.247) 35.110 2.286 ( 4.267 -3.832 -12.283) 13.556 2.363 ( -3.330 -3.352 -4.157) 6.293 2.808 ( -1.898 3.011 -8.950) 9.632 2.851 ( 0.893 2.613 10.478) 10.836 2.982 ( -9.434 2.885 1.822) 10.032 3.109 ( -1.460 1.787 0.271) 2.324 3.144 ( 1.177 -1.456 -0.520) 1.943 3.232 ( 0.376 -2.776 0.734) 2.896 3.434 ( -0.763 0.231 11.546) 11.574 3.518 ( 0.600 -1.280 -13.216) 13.291 3.827 ( -4.525 4.514 -2.895) 7.017 3.835 ( -3.462 3.388 2.494) 5.448 3.925 ( -5.245 -2.028 -1.847) 5.919 4.024 ( -5.914 0.371 4.183) 7.254 4.097 ( -11.705 2.320 -2.030) 12.104 4.160 ( -5.536 -0.180 0.757) 5.591 4.312 ( -4.912 9.198 0.801) 10.458 4.417 ( -3.100 1.720 2.059) 4.100 4.720 ( -1.085 3.876 3.039) 5.044 4.809 ( 4.519 1.366 -6.916) 8.373 4.818 ( -1.826 -3.785 0.368) 4.218 4.911 ( 1.754 -2.464 -3.422) 4.567 4.957 ( 5.090 -4.846 2.580) 7.487 5.070 ( 3.072 0.588 -0.479) 3.164 5.128 ( -7.046 3.537 -0.331) 7.891 5.218 ( -7.966 -3.139 2.350) 8.879 5.302 ( -3.931 3.287 6.347) 8.157 5.430 ( -1.361 -1.447 5.924) 6.248 5.666 ( 8.484 -0.931 6.518) 10.739 5.760 ( 10.865 -1.150 -6.908) 12.926 6.120 ( 4.685 1.613 -4.154) 6.466 6.435 ( 7.088 1.813 -16.961) 18.471 6.610 ( 14.004 1.358 0.017) 14.070 6.618 ( 12.912 1.216 1.658) 13.075 7.731 ( -6.604 2.965 4.645) 8.601 7.804 ( -0.541 -0.610 -0.104) 0.822 8.359 ( -7.049 1.596 6.920) 10.007 8.550 ( 3.608 7.604 5.899) 10.278 8.723 ( 7.382 -7.086 -0.804) 10.264 8.975 ( 8.113 8.521 -8.067) 14.266 9.142 ( -12.657 -1.013 -4.295) 13.404 9.250 ( -4.898 -10.784 -2.431) 12.091 9.895 ( 2.421 1.104 1.621) 3.116 10.146 ( 5.072 5.398 -1.315) 7.523 10.282 ( 0.346 -1.268 6.320) 6.455 10.338 ( 1.232 6.682 -0.776) 6.839 10.494 ( 9.592 -7.397 2.020) 12.280 10.559 ( 12.626 -0.732 -7.102) 14.505 11.194 ( -4.049 -1.152 5.045) 6.570 11.443 ( 6.186 0.999 -3.708) 7.281 11.719 ( -2.488 2.871 4.884) 6.188 11.817 ( 3.043 1.344 -3.363) 4.730 14.930 ( -0.540 -1.840 1.700) 2.562 14.977 ( 1.448 -2.609 -1.499) 3.339 20.367 ( -2.150 0.912 -1.852) 2.980 20.458 ( 3.049 -0.517 0.131) 3.095 20.918 ( -3.255 -2.949 10.212) 11.116 21.023 ( 3.859 -0.298 -9.691) 10.435 21.441 ( -17.567 -6.477 -7.662) 20.230 22.131 ( 8.342 -1.753 -12.730) 15.320 23.377 ( -26.682 4.096 1.810) 27.055 23.767 ( -10.755 5.764 13.043) 17.861 24.784 ( 14.312 -0.860 5.200) 15.251 24.919 ( 17.516 1.998 -0.876) 17.651 28.170 ( -1.645 -0.069 2.963) 3.390 28.440 ( 4.908 2.659 4.685) 7.287 ======================= Grid point 173 (73/95) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -8.273 -8.204 -10.932) 15.977 1.449 ( 9.768 -9.165 14.571) 19.792 1.489 ( 15.461 -6.614 -17.329) 24.147 1.613 ( 11.848 -8.355 10.243) 17.751 2.066 ( -4.059 0.197 -0.661) 4.118 2.242 ( 8.598 -6.539 7.683) 13.256 2.490 ( 16.738 -11.588 11.611) 23.436 2.594 ( 18.477 -13.172 -21.631) 31.350 2.711 ( -2.168 4.083 -3.207) 5.627 2.816 ( -1.120 3.126 6.062) 6.912 2.826 ( -3.333 4.258 0.941) 5.489 2.997 ( -5.444 4.000 0.084) 6.756 3.226 ( 3.853 -4.104 -0.796) 5.685 3.273 ( -0.724 -1.877 2.131) 2.930 3.433 ( -6.476 0.014 -3.756) 7.487 3.488 ( -0.291 -3.910 1.950) 4.379 3.633 ( -8.354 3.441 -0.862) 9.076 3.708 ( -5.907 4.337 -0.611) 7.354 3.838 ( -10.146 0.505 -3.684) 10.806 3.873 ( -6.594 -0.792 2.023) 6.943 3.902 ( -3.695 -0.966 -2.214) 4.415 3.971 ( -9.782 7.476 2.296) 12.524 4.218 ( -1.839 1.409 1.011) 2.527 4.333 ( -2.705 2.054 1.669) 3.785 4.634 ( -2.393 6.254 0.095) 6.697 4.798 ( -3.693 4.868 2.538) 6.617 4.801 ( -2.637 1.246 -0.042) 2.917 4.945 ( 0.361 -0.607 -2.179) 2.290 4.966 ( -0.350 0.652 -0.890) 1.158 5.056 ( -0.244 -4.470 1.252) 4.648 5.147 ( 3.300 -1.677 4.156) 5.565 5.208 ( 0.850 -3.886 1.219) 4.161 5.255 ( 1.497 5.077 -2.273) 5.761 5.493 ( 3.292 -2.893 1.002) 4.496 5.847 ( 10.146 1.528 4.973) 11.402 5.991 ( 11.800 0.292 -2.199) 12.007 6.183 ( 3.722 0.793 -2.333) 4.464 6.489 ( 4.791 6.078 -10.099) 12.724 6.766 ( 7.032 3.667 2.386) 8.282 6.871 ( 9.608 -1.860 0.485) 9.799 7.665 ( 7.995 5.414 -0.147) 9.656 7.839 ( 4.549 -0.160 -0.581) 4.589 8.274 ( -1.438 3.941 1.180) 4.358 8.537 ( 0.624 5.487 1.654) 5.765 8.741 ( -11.334 2.149 -3.539) 12.066 8.878 ( -8.489 -2.820 5.483) 10.492 9.083 ( 4.733 -3.682 0.331) 6.006 9.389 ( 4.392 -10.534 -0.389) 11.419 9.913 ( -3.143 5.106 -3.177) 6.786 9.982 ( -9.412 2.605 0.821) 9.801 10.288 ( 2.610 -0.853 0.230) 2.756 10.432 ( 11.941 5.872 -1.324) 13.373 10.676 ( 1.874 -2.541 -2.112) 3.798 10.843 ( 15.669 0.212 -1.069) 15.707 11.224 ( 4.670 -2.073 7.161) 8.797 11.485 ( 1.576 3.931 -5.957) 7.309 11.682 ( 1.394 2.559 6.423) 7.053 11.877 ( 4.260 0.124 -3.682) 5.632 14.944 ( 0.401 -0.663 1.514) 1.701 15.026 ( 0.493 -3.614 -1.078) 3.803 20.322 ( -1.613 0.550 -2.894) 3.358 20.540 ( 4.469 -1.336 1.672) 4.955 20.918 ( -2.510 -6.074 9.218) 11.321 21.098 ( 4.952 0.294 -7.049) 8.620 21.261 ( -9.805 -7.225 -6.075) 13.610 22.190 ( -0.194 -2.239 -10.865) 11.095 22.895 ( -21.780 1.736 3.426) 22.116 23.437 ( -16.287 8.771 9.868) 20.966 25.086 ( 15.099 -0.447 2.824) 15.367 25.196 ( 15.056 3.606 -0.998) 15.514 28.197 ( 3.253 0.615 -0.198) 3.316 28.432 ( -1.604 3.100 3.452) 4.909 ======================= Grid point 174 (74/95) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 7.471 -10.593 -0.761) 12.985 1.652 ( 3.015 -7.249 4.974) 9.294 1.758 ( -1.925 -4.717 1.240) 5.244 1.850 ( 12.315 -4.861 -3.493) 13.693 2.053 ( 8.176 -3.284 0.611) 8.832 2.353 ( -1.352 1.096 -4.726) 5.036 2.605 ( -5.677 2.791 -2.951) 6.981 2.661 ( -4.024 9.289 4.658) 11.144 2.689 ( -5.432 1.935 4.198) 7.132 2.939 ( 4.992 -8.281 3.355) 10.235 2.973 ( 4.129 -10.149 1.178) 11.020 3.061 ( 8.781 -8.189 -3.302) 12.453 3.188 ( -7.167 1.030 -0.243) 7.245 3.289 ( 1.549 -0.571 -1.819) 2.457 3.409 ( 9.921 -1.682 -1.640) 10.195 3.431 ( -6.648 -0.860 0.627) 6.733 3.539 ( -2.239 4.083 -3.987) 6.131 3.636 ( 0.466 -2.432 -1.781) 3.050 3.693 ( -9.365 4.532 1.205) 10.473 3.747 ( -3.046 -4.844 1.943) 6.043 3.828 ( 1.957 -0.477 -2.700) 3.369 3.880 ( -0.457 0.323 0.162) 0.582 4.111 ( -4.829 2.941 1.355) 5.814 4.340 ( 2.032 -0.992 -1.573) 2.755 4.514 ( -2.526 8.765 -0.685) 9.148 4.638 ( -4.379 6.756 5.412) 9.701 4.752 ( -1.945 0.171 0.079) 1.954 4.936 ( -1.108 -1.323 1.270) 2.143 4.984 ( -0.165 1.035 3.048) 3.223 5.087 ( -0.237 -0.790 -0.644) 1.046 5.213 ( 2.929 1.875 -4.636) 5.796 5.250 ( 0.690 -2.027 0.491) 2.197 5.280 ( 4.438 -0.693 0.405) 4.510 5.561 ( 0.962 -1.289 1.028) 1.909 5.978 ( 5.721 4.180 2.837) 7.632 6.075 ( -0.241 1.259 2.149) 2.503 6.269 ( 2.978 -0.240 -3.194) 4.374 6.449 ( -2.453 4.460 -7.555) 9.110 6.872 ( 12.168 0.427 7.573) 14.339 7.134 ( 16.920 -1.004 -0.917) 16.975 7.855 ( 14.106 7.262 -4.399) 16.464 7.969 ( 4.820 -1.630 -4.198) 6.596 8.183 ( -3.613 2.322 1.807) 4.659 8.363 ( -9.322 5.169 3.734) 11.295 8.643 ( 0.612 1.698 -3.302) 3.764 8.697 ( -9.854 -3.792 5.005) 11.685 9.224 ( 1.782 -3.037 0.416) 3.546 9.436 ( -9.596 -2.117 -4.862) 10.964 9.706 ( -8.455 0.376 4.703) 9.683 9.922 ( 2.522 -2.405 -0.942) 3.609 10.382 ( 6.708 2.600 0.285) 7.200 10.537 ( 3.577 5.732 2.303) 7.138 10.759 ( 6.244 -3.613 -3.682) 8.099 11.051 ( 6.694 -0.684 -0.163) 6.730 11.345 ( 5.226 2.359 2.029) 6.082 11.456 ( 0.683 1.453 -5.009) 5.260 11.710 ( 3.178 3.044 6.440) 7.800 11.953 ( 3.301 -1.207 -2.792) 4.489 14.958 ( 0.972 0.707 0.725) 1.404 15.063 ( -0.168 -3.249 -0.426) 3.281 20.290 ( -1.228 0.188 -2.385) 2.689 20.640 ( 4.406 -1.230 2.243) 5.095 20.951 ( -1.675 -6.529 7.633) 10.183 21.172 ( -0.492 1.033 -5.952) 6.061 21.188 ( 0.096 -4.171 -2.413) 4.820 22.223 ( 1.983 -4.245 -10.068) 11.105 22.539 ( -16.046 -0.802 3.076) 16.358 23.051 ( -15.065 10.005 7.279) 19.494 25.326 ( 9.782 -0.439 1.370) 9.887 25.397 ( 10.203 3.408 -0.833) 10.789 28.246 ( 2.949 1.612 -1.279) 3.596 28.365 ( -2.831 1.412 1.947) 3.714 ======================= Grid point 175 (75/95) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 9.045 -4.125 3.091) 10.411 1.746 ( 2.028 -1.864 3.248) 4.258 1.796 ( 4.969 -9.729 -2.865) 11.294 2.068 ( 2.470 2.592 -0.154) 3.584 2.134 ( -6.359 2.678 -6.883) 9.746 2.295 ( 7.215 -0.816 2.740) 7.761 2.359 ( -9.825 7.012 1.332) 12.143 2.497 ( -8.781 1.021 0.355) 8.847 2.718 ( 6.566 -3.322 2.043) 7.637 2.918 ( -6.565 -2.274 -2.600) 7.419 3.106 ( 4.835 -2.022 -2.694) 5.892 3.129 ( 0.750 -0.801 -0.834) 1.378 3.249 ( -6.437 4.352 4.196) 8.830 3.263 ( 0.053 -5.764 3.772) 6.888 3.345 ( -0.222 -3.326 -2.383) 4.097 3.473 ( -1.335 2.868 0.396) 3.189 3.540 ( -1.715 4.660 0.928) 5.052 3.595 ( 3.971 -3.630 2.142) 5.791 3.667 ( 0.819 -0.559 -4.282) 4.396 3.778 ( 0.138 1.780 -0.011) 1.785 3.866 ( 0.934 -3.937 -2.083) 4.551 3.959 ( 5.032 -1.058 -0.802) 5.205 4.093 ( 1.335 -6.500 1.506) 6.805 4.330 ( -3.859 4.915 0.492) 6.268 4.391 ( 0.919 6.882 -3.423) 7.741 4.551 ( -0.775 1.952 2.088) 2.962 4.782 ( 4.385 -3.633 -1.483) 5.885 4.918 ( -2.832 1.824 2.966) 4.489 4.952 ( -1.630 -1.196 5.216) 5.594 5.042 ( -1.853 3.039 -3.748) 5.169 5.237 ( 1.300 1.058 -1.130) 2.022 5.279 ( 0.331 -1.376 -0.043) 1.415 5.389 ( 5.004 -1.581 -0.878) 5.321 5.539 ( -3.199 0.715 1.764) 3.723 5.992 ( 1.429 3.441 0.483) 3.757 6.060 ( -1.197 -1.178 1.231) 2.083 6.261 ( -0.974 0.742 -0.893) 1.515 6.366 ( -2.230 0.906 -2.197) 3.259 7.216 ( 20.654 -1.486 2.606) 20.871 7.439 ( 9.443 0.615 -1.583) 9.594 7.782 ( -10.023 1.444 -5.165) 11.367 7.910 ( -9.448 1.640 2.320) 9.866 8.154 ( 1.293 0.412 0.693) 1.524 8.418 ( 12.697 0.101 5.176) 13.712 8.597 ( 1.882 4.035 0.191) 4.457 8.652 ( -5.686 -3.113 -0.998) 6.559 9.154 ( -2.311 3.408 -18.114) 18.576 9.230 ( -13.016 -4.118 14.128) 19.647 9.647 ( 0.623 0.134 0.967) 1.158 10.019 ( 2.033 -2.464 -1.293) 3.446 10.467 ( 4.030 0.776 0.653) 4.156 10.521 ( -0.330 2.107 3.764) 4.326 10.893 ( 3.855 -1.312 -2.322) 4.688 11.123 ( 1.322 0.011 -0.077) 1.324 11.338 ( -0.175 2.843 -1.259) 3.115 11.503 ( 1.933 -1.538 -1.914) 3.124 11.730 ( 1.291 2.142 3.336) 4.169 12.009 ( 1.444 -0.825 -0.769) 1.832 14.966 ( 0.486 0.533 0.157) 0.738 15.083 ( -0.143 -1.341 -0.072) 1.351 20.271 ( -0.497 0.034 -0.930) 1.056 20.714 ( 1.970 -0.456 0.971) 2.243 20.987 ( -0.663 -3.452 3.812) 5.185 21.129 ( -1.453 -0.131 -2.447) 2.849 21.245 ( 2.001 0.192 -1.033) 2.260 22.278 ( -1.439 0.474 -8.858) 8.987 22.395 ( -0.450 -7.217 4.245) 8.385 22.725 ( -9.152 8.185 4.165) 12.965 25.454 ( 3.324 -0.488 0.470) 3.392 25.500 ( 3.650 1.667 -0.355) 4.028 28.271 ( 1.438 1.307 -0.865) 2.127 28.316 ( -1.626 -0.142 0.934) 1.881 ======================= Grid point 181 (76/95) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -10.728 -0.000 -4.483) 11.628 1.360 ( 12.886 0.000 -4.474) 13.640 1.434 ( 13.705 0.000 8.183) 15.962 1.509 ( 16.716 0.000 -0.048) 16.716 2.063 ( -3.908 -0.000 9.335) 10.120 2.189 ( 19.754 0.000 -0.730) 19.767 2.357 ( 12.909 0.000 13.634) 18.776 2.442 ( 17.315 0.000 -26.800) 31.907 2.762 ( -2.852 -0.000 -4.698) 5.495 2.857 ( -2.614 -0.000 -0.091) 2.616 2.890 ( -1.805 -0.000 7.982) 8.184 3.042 ( -8.757 -0.000 2.234) 9.037 3.176 ( 2.415 0.000 4.171) 4.819 3.220 ( 4.121 0.000 -6.573) 7.758 3.431 ( -1.714 -0.000 12.444) 12.562 3.471 ( -3.971 -0.000 -10.361) 11.096 3.706 ( -8.103 -0.000 -2.701) 8.541 3.790 ( -4.051 -0.000 2.116) 4.571 3.792 ( -16.810 -0.000 -6.366) 17.975 3.853 ( -7.675 -0.000 2.268) 8.003 3.888 ( -3.574 -0.000 -2.542) 4.386 4.047 ( -9.873 -0.000 3.647) 10.525 4.282 ( -2.813 -0.000 3.230) 4.283 4.310 ( -4.306 -0.000 0.264) 4.314 4.733 ( -1.157 -0.000 3.702) 3.878 4.768 ( -2.127 -0.000 -0.115) 2.130 4.885 ( 1.163 0.000 -5.337) 5.462 4.954 ( -6.206 -0.000 4.554) 7.697 4.960 ( 4.771 0.000 -4.129) 6.309 5.030 ( -0.077 -0.000 1.466) 1.468 5.084 ( -0.072 -0.000 1.466) 1.467 5.153 ( 2.381 0.000 4.119) 4.758 5.344 ( 3.067 0.000 -5.138) 5.984 5.425 ( 1.625 0.000 4.286) 4.583 5.870 ( 11.432 0.000 7.003) 13.407 5.989 ( 13.991 0.000 -4.942) 14.838 6.194 ( 1.310 0.000 -3.060) 3.329 6.550 ( 4.867 0.000 -11.652) 12.628 6.826 ( 1.422 0.000 4.347) 4.574 6.828 ( 12.980 0.000 0.794) 13.004 7.720 ( 7.617 0.000 -0.773) 7.656 7.834 ( 4.512 0.000 -1.388) 4.721 8.326 ( 0.139 0.000 2.358) 2.362 8.636 ( -5.327 -0.000 12.606) 13.685 8.706 ( -0.605 -0.000 -9.338) 9.358 8.862 ( -18.375 -0.000 -3.671) 18.738 9.101 ( 6.174 0.000 5.865) 8.516 9.209 ( 6.126 0.000 -2.293) 6.541 9.975 ( -0.078 -0.000 -0.710) 0.714 10.010 ( -14.510 -0.000 -5.918) 15.670 10.281 ( 6.158 0.000 -1.070) 6.251 10.546 ( 10.587 0.000 0.580) 10.603 10.604 ( 4.814 0.000 1.941) 5.191 10.853 ( 12.261 0.000 -2.979) 12.617 11.197 ( 6.282 0.000 9.942) 11.761 11.522 ( 1.874 0.000 -6.873) 7.124 11.713 ( 0.596 0.000 7.939) 7.961 11.872 ( 2.661 0.000 -4.662) 5.368 14.934 ( 1.611 0.000 2.230) 2.751 14.986 ( 0.822 0.000 -2.238) 2.384 20.332 ( -1.930 -0.000 -3.091) 3.644 20.525 ( 4.721 0.000 0.105) 4.722 20.842 ( -3.336 -0.000 8.986) 9.585 21.103 ( 4.869 0.000 -6.932) 8.471 21.197 ( -5.110 -0.000 -8.213) 9.673 22.166 ( -0.751 -0.000 -11.135) 11.160 22.912 ( -23.963 -0.000 5.311) 24.545 23.526 ( -17.366 -0.000 11.142) 20.633 25.080 ( 15.209 0.000 4.123) 15.758 25.236 ( 14.698 0.000 -1.496) 14.774 28.203 ( 3.842 0.000 -0.702) 3.906 28.468 ( -2.900 -0.000 5.148) 5.909 ======================= Grid point 182 (77/95) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 7.915 -7.248 5.444) 12.034 1.581 ( 10.316 -0.402 -1.426) 10.421 1.696 ( -0.740 -1.538 6.624) 6.840 1.756 ( 16.740 -3.403 8.186) 18.942 2.048 ( 9.228 0.625 -10.147) 13.730 2.369 ( 3.054 1.210 -7.096) 7.819 2.615 ( -3.812 -1.467 -7.801) 8.806 2.666 ( 7.686 -9.304 15.950) 20.001 2.752 ( -5.929 3.331 3.591) 7.691 2.819 ( -5.059 3.804 2.835) 6.936 2.879 ( 5.590 -0.268 0.067) 5.597 2.978 ( 6.376 -3.490 -9.526) 11.982 3.201 ( -2.657 -0.763 0.951) 2.923 3.259 ( -0.478 -0.825 -5.484) 5.566 3.418 ( 5.179 2.424 0.582) 5.748 3.431 ( -11.334 1.291 -1.510) 11.507 3.494 ( 5.156 -5.253 1.288) 7.472 3.634 ( -5.822 -3.155 -3.482) 7.481 3.692 ( -3.291 4.992 -0.306) 5.987 3.758 ( -4.025 -0.784 0.476) 4.128 3.833 ( -5.988 0.676 0.945) 6.100 3.879 ( -1.373 -0.512 -0.072) 1.467 4.201 ( -3.750 4.341 -0.443) 5.754 4.317 ( 3.235 -1.662 1.956) 4.130 4.659 ( -1.860 5.939 2.326) 6.644 4.742 ( -3.291 -1.367 2.957) 4.630 4.798 ( -4.094 5.774 3.526) 7.908 4.912 ( -0.833 -1.145 -2.559) 2.925 4.983 ( -0.167 1.252 1.032) 1.631 5.085 ( 4.300 -0.818 -2.081) 4.847 5.145 ( 0.945 -4.432 2.410) 5.133 5.213 ( 2.574 -2.229 -0.098) 3.406 5.340 ( 1.228 4.856 -5.632) 7.537 5.499 ( 1.601 -4.152 2.534) 5.121 6.027 ( 4.513 0.869 6.913) 8.301 6.144 ( 0.113 4.669 -2.409) 5.255 6.235 ( 5.639 -2.711 -3.613) 7.225 6.495 ( -9.730 0.530 -3.850) 10.477 6.887 ( 11.254 0.607 6.299) 12.911 7.118 ( 18.008 -0.430 -2.022) 18.126 7.942 ( 5.231 -0.237 -3.655) 6.386 7.955 ( 13.074 1.829 -4.078) 13.817 8.238 ( -9.030 2.387 4.037) 10.176 8.463 ( -13.867 4.280 2.662) 14.754 8.603 ( -1.479 -3.609 -0.056) 3.901 8.688 ( -1.190 0.854 -3.555) 3.845 9.204 ( 2.375 2.441 2.943) 4.501 9.320 ( -2.814 -7.852 1.110) 8.415 9.731 ( -10.593 1.232 -2.268) 10.903 9.903 ( -2.454 -0.158 -0.588) 2.529 10.464 ( 10.072 4.418 -2.230) 11.223 10.640 ( -2.006 -2.086 3.758) 4.743 10.701 ( 10.410 4.386 -1.628) 11.413 10.998 ( 3.514 -4.402 2.214) 6.053 11.372 ( 8.936 1.088 2.953) 9.474 11.498 ( -2.662 1.384 -10.076) 10.513 11.768 ( 4.755 2.491 10.900) 12.150 11.907 ( 0.466 -2.541 -4.257) 4.980 14.972 ( 1.597 0.938 0.635) 1.958 15.005 ( 0.841 -2.371 -0.752) 2.626 20.296 ( -1.436 0.230 -2.909) 3.252 20.626 ( 5.388 -0.290 1.331) 5.558 20.824 ( -1.417 -4.149 6.531) 7.866 21.116 ( -1.305 -1.417 -0.960) 2.152 21.247 ( 8.546 2.659 -8.770) 12.531 22.151 ( -0.234 -2.311 -5.917) 6.356 22.523 ( -18.075 -0.579 1.121) 18.119 23.190 ( -16.696 3.685 8.669) 19.170 25.312 ( 8.932 -0.469 3.050) 9.450 25.453 ( 9.586 1.646 -2.166) 9.965 28.271 ( 3.317 0.730 -2.076) 3.981 28.387 ( -4.751 0.673 3.023) 5.671 ======================= Grid point 183 (78/95) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 18.910 -6.737 9.036) 22.014 1.665 ( -0.362 -2.621 -1.130) 2.877 1.748 ( 8.607 2.042 1.777) 9.023 2.069 ( 11.307 -0.473 1.831) 11.464 2.240 ( 5.295 5.808 -4.858) 9.240 2.305 ( -1.715 0.708 -3.143) 3.650 2.502 ( -5.668 2.453 -3.298) 7.001 2.532 ( -13.364 5.098 1.911) 14.431 2.656 ( -1.733 -1.497 4.103) 4.698 2.835 ( -3.662 -9.580 6.162) 11.965 2.937 ( 2.992 -5.162 -0.938) 6.040 3.104 ( 3.450 -4.188 -6.705) 8.625 3.196 ( 2.214 0.527 0.523) 2.335 3.257 ( -2.179 -1.429 -1.685) 3.103 3.320 ( -4.244 -2.352 0.088) 4.853 3.485 ( -2.481 -1.073 2.545) 3.713 3.584 ( 2.567 2.012 1.571) 3.620 3.622 ( -0.405 4.376 -2.768) 5.194 3.674 ( 4.487 -2.127 -2.990) 5.797 3.698 ( 2.357 -4.032 -0.328) 4.681 3.846 ( -1.877 -1.167 -0.191) 2.218 3.875 ( 2.620 -3.374 -1.249) 4.451 4.110 ( 1.211 5.088 -2.714) 5.892 4.405 ( 2.929 3.488 2.537) 5.213 4.591 ( 1.859 8.061 -2.175) 8.554 4.639 ( -2.780 4.951 7.101) 9.092 4.735 ( 0.499 -0.071 -0.928) 1.057 4.904 ( -0.735 -1.390 -0.048) 1.573 4.965 ( -2.050 0.878 2.668) 3.478 5.089 ( -1.806 2.929 -2.723) 4.388 5.200 ( -0.593 -5.111 1.982) 5.514 5.278 ( 1.866 0.256 -2.933) 3.486 5.350 ( 3.588 -1.100 -1.539) 4.056 5.516 ( -4.110 -2.688 3.373) 5.957 6.030 ( -3.334 0.115 1.135) 3.524 6.089 ( 0.501 4.321 0.754) 4.415 6.245 ( -5.620 -1.900 0.557) 5.958 6.358 ( -3.165 -1.498 -2.174) 4.122 7.206 ( 20.380 0.177 1.524) 20.438 7.449 ( 12.966 0.249 -1.922) 13.110 7.805 ( -14.528 0.817 -5.713) 15.632 7.930 ( -13.073 0.551 5.939) 14.369 8.180 ( 2.821 1.896 -0.274) 3.410 8.398 ( 7.057 -2.168 3.434) 8.142 8.630 ( -3.286 0.856 -2.994) 4.527 8.665 ( 2.504 2.676 -0.497) 3.698 9.141 ( -9.875 -3.806 13.764) 17.362 9.199 ( -4.063 0.577 -18.794) 19.237 9.664 ( 1.248 1.366 3.976) 4.385 9.957 ( 4.368 -3.174 -2.762) 6.065 10.516 ( 1.560 3.259 4.067) 5.441 10.602 ( -0.503 5.247 4.985) 7.255 10.847 ( 5.084 -1.461 -1.712) 5.560 11.083 ( 0.090 -4.842 1.197) 4.989 11.390 ( -4.471 1.893 -10.430) 11.504 11.497 ( 4.977 0.890 -0.244) 5.061 11.778 ( -1.818 2.881 2.084) 3.993 11.962 ( 1.547 -3.607 4.048) 5.638 14.967 ( -1.008 -0.247 -2.081) 2.326 15.061 ( 2.661 -0.804 1.715) 3.266 20.273 ( -0.534 0.120 -1.614) 1.705 20.711 ( 2.966 0.019 2.641) 3.972 20.876 ( 1.332 -5.102 1.907) 5.607 21.121 ( 0.800 -0.262 0.179) 0.861 21.359 ( 8.640 7.714 -5.025) 12.626 22.217 ( 1.356 -8.091 2.367) 8.539 22.281 ( -6.830 -0.935 -6.841) 9.712 22.874 ( -12.434 5.690 6.364) 15.083 25.423 ( 1.679 -1.547 1.986) 3.026 25.550 ( 3.026 2.205 -1.720) 4.121 28.293 ( -1.573 0.801 0.237) 1.781 28.315 ( -0.807 0.044 -0.269) 0.852 ======================= Grid point 184 (79/95) ======================= q-point: (-0.56 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -0.696 5.697 -1.455) 5.921 1.797 ( 2.686 0.353 0.311) 2.727 1.885 ( 9.788 -4.365 0.775) 10.745 2.038 ( -2.476 8.550 4.507) 9.978 2.177 ( 0.307 2.525 0.869) 2.688 2.272 ( -1.381 0.240 2.195) 2.605 2.367 ( -1.252 4.661 -3.832) 6.163 2.522 ( 8.963 3.558 -0.706) 9.669 2.713 ( -5.211 -3.940 -0.995) 6.608 2.861 ( 7.382 -7.720 2.903) 11.069 3.093 ( -1.636 -4.068 3.730) 5.757 3.131 ( 1.368 -2.829 -5.123) 6.010 3.212 ( 0.208 1.327 -2.708) 3.022 3.264 ( 2.885 -4.063 3.290) 5.971 3.286 ( -1.579 -3.104 -1.586) 3.827 3.458 ( -2.207 0.805 2.742) 3.611 3.562 ( -0.207 4.039 -1.357) 4.266 3.619 ( 1.806 -1.826 0.415) 2.601 3.686 ( -0.390 -1.155 -3.550) 3.753 3.768 ( -2.121 4.249 -0.929) 4.839 3.842 ( 1.671 -2.707 -5.730) 6.554 3.997 ( 2.614 -8.395 5.293) 10.263 4.129 ( 2.870 5.721 -1.085) 6.492 4.313 ( -3.352 4.707 1.038) 5.871 4.492 ( -0.710 11.905 0.719) 11.948 4.583 ( 0.576 4.738 1.412) 4.977 4.834 ( 0.527 -0.478 -0.243) 0.752 4.894 ( 0.848 1.346 -1.956) 2.521 4.929 ( 1.577 -3.210 2.842) 4.569 5.014 ( -2.686 0.621 -4.892) 5.615 5.212 ( -1.875 -1.960 3.234) 4.221 5.282 ( -0.789 -0.680 0.203) 1.061 5.400 ( -4.306 -0.535 0.387) 4.357 5.486 ( 1.600 -4.458 -1.136) 4.871 5.942 ( -5.043 -1.016 -1.704) 5.419 6.078 ( 0.090 -0.222 1.780) 1.796 6.217 ( -0.931 -3.127 -0.007) 3.263 6.330 ( -1.714 -2.191 2.360) 3.648 7.261 ( -20.837 2.651 -2.583) 21.163 7.433 ( -6.810 0.129 0.976) 6.881 7.755 ( 4.899 -0.961 4.041) 6.423 7.863 ( 7.343 -2.993 1.115) 8.007 8.169 ( -0.417 1.992 -1.394) 2.467 8.414 ( -15.439 0.029 -5.755) 16.477 8.505 ( -0.560 -5.176 -2.240) 5.668 8.728 ( 6.017 3.815 -0.720) 7.161 9.074 ( 1.753 -4.091 17.567) 18.122 9.296 ( 13.458 2.377 -15.554) 20.705 9.661 ( -0.845 1.374 1.633) 2.296 10.042 ( 2.258 -0.077 -0.749) 2.380 10.503 ( -2.502 0.149 4.162) 4.858 10.513 ( -3.182 4.934 0.458) 5.888 10.883 ( -3.051 -1.473 2.805) 4.399 11.094 ( -2.860 -3.581 -0.454) 4.605 11.300 ( -3.349 -0.740 -8.209) 8.897 11.547 ( 1.070 2.599 2.587) 3.820 11.690 ( -5.200 -1.616 -3.272) 6.353 11.995 ( -1.952 -2.035 4.943) 5.691 14.948 ( -1.382 -1.049 -1.521) 2.307 15.108 ( 2.300 1.067 0.987) 2.721 20.272 ( 0.652 0.153 0.236) 0.710 20.730 ( -0.576 1.040 0.346) 1.238 20.959 ( 2.236 -3.664 -1.369) 4.505 21.143 ( 2.073 1.407 0.874) 2.654 21.392 ( 6.161 11.949 -1.212) 13.498 22.238 ( 0.795 -4.362 5.589) 7.134 22.407 ( 7.548 -6.326 -6.595) 11.853 22.660 ( -3.869 2.943 2.300) 5.378 25.411 ( -5.458 -2.990 1.330) 6.363 25.519 ( -4.046 1.782 -1.281) 4.603 28.245 ( -2.728 -1.146 0.878) 3.086 28.320 ( 0.687 0.216 -1.093) 1.308 ======================= Grid point 185 (80/95) ======================= q-point: (-0.44 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -5.262 9.877 0.361) 11.198 1.788 ( 1.613 4.932 -1.158) 5.316 1.879 ( -0.228 6.885 5.797) 9.003 2.007 ( -2.034 12.432 1.742) 12.717 2.194 ( -8.155 8.920 -7.270) 14.104 2.284 ( 11.116 -5.645 2.210) 12.662 2.427 ( 4.835 -10.124 -2.272) 11.447 2.595 ( 2.436 0.833 -2.082) 3.311 2.708 ( 0.792 1.042 1.322) 1.861 2.987 ( -6.493 1.357 3.330) 7.423 3.094 ( 7.259 0.556 1.453) 7.424 3.116 ( -0.089 -1.693 1.035) 1.986 3.281 ( 0.083 0.105 -0.504) 0.522 3.321 ( 6.059 -8.642 -2.907) 10.947 3.367 ( -8.024 4.826 -0.455) 9.374 3.453 ( 7.156 -6.704 2.322) 10.077 3.481 ( -6.402 6.522 -5.259) 10.544 3.590 ( 1.953 -0.012 -2.868) 3.470 3.699 ( 0.654 3.042 6.065) 6.817 3.766 ( 4.780 -2.040 -1.226) 5.340 3.872 ( 0.316 0.032 -1.876) 1.903 3.947 ( -2.341 9.429 5.881) 11.357 4.119 ( -0.765 1.157 -3.395) 3.667 4.320 ( 1.149 -4.888 1.286) 5.184 4.419 ( 3.665 5.204 2.537) 6.852 4.580 ( 3.244 1.176 -2.075) 4.027 4.769 ( -0.384 1.761 -0.400) 1.846 4.927 ( 0.203 -1.653 -1.947) 2.562 4.975 ( 0.259 -0.437 -6.762) 6.781 5.052 ( 3.055 -3.554 3.857) 6.070 5.189 ( -2.021 -0.698 2.768) 3.497 5.263 ( -2.364 -1.269 0.164) 2.688 5.290 ( -6.087 0.476 -0.824) 6.161 5.545 ( -0.795 -2.647 -0.390) 2.791 5.890 ( -3.807 -4.284 -3.957) 6.965 6.068 ( -2.953 -0.446 -0.654) 3.057 6.229 ( -1.517 -4.099 1.897) 4.765 6.331 ( -5.276 -6.670 9.527) 12.771 6.884 ( -14.570 1.689 -7.102) 16.297 7.152 ( -15.982 0.764 -0.128) 16.000 7.700 ( -16.115 -7.469 5.827) 18.693 8.002 ( -4.414 1.554 4.811) 6.711 8.153 ( -1.156 -0.923 -1.079) 1.831 8.272 ( 9.047 -3.605 -5.278) 11.077 8.597 ( 2.608 -2.828 0.504) 3.880 8.776 ( 7.939 3.696 -7.514) 11.539 9.246 ( 6.175 -1.885 5.608) 8.552 9.456 ( 4.137 2.427 2.966) 5.639 9.698 ( 8.769 -1.082 -5.918) 10.634 10.008 ( -3.358 5.405 0.205) 6.367 10.379 ( -5.161 2.294 -0.061) 5.649 10.461 ( -3.977 -2.302 0.081) 4.596 10.783 ( -7.988 -0.416 6.840) 10.525 11.056 ( -4.901 -1.122 -1.140) 5.155 11.256 ( -4.008 -4.698 -3.683) 7.190 11.469 ( -5.433 1.442 -1.013) 5.712 11.652 ( -1.995 -2.379 -1.751) 3.565 11.943 ( -5.816 -2.126 3.682) 7.204 14.940 ( -0.467 -1.053 -0.310) 1.193 15.123 ( 1.275 2.650 -0.290) 2.954 20.292 ( 1.533 0.372 1.963) 2.518 20.674 ( -3.314 2.057 -3.347) 5.139 21.009 ( 1.151 -0.075 -1.591) 1.965 21.166 ( 1.454 2.069 1.097) 2.757 21.391 ( 8.780 13.646 0.337) 16.230 22.287 ( -0.875 1.280 11.428) 11.533 22.550 ( 10.871 0.260 -4.517) 11.774 22.817 ( 11.740 -12.523 -4.968) 17.870 25.287 ( -11.521 -4.001 1.407) 12.277 25.370 ( -10.373 0.595 -1.604) 10.513 28.213 ( -2.422 -1.547 0.408) 2.903 28.337 ( 0.753 -1.248 -0.897) 1.712 ======================= Grid point 186 (81/95) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 5.688 9.988 10.069) 15.281 1.637 ( -12.304 8.719 13.523) 20.255 1.715 ( -5.273 13.949 -8.738) 17.283 1.811 ( -9.847 11.624 -11.479) 19.075 2.117 ( 7.983 6.189 1.953) 10.288 2.368 ( 1.693 4.657 -3.506) 6.070 2.600 ( -2.025 -7.157 -4.338) 8.611 2.618 ( -2.029 -3.113 -0.544) 3.756 2.738 ( 4.952 -3.969 -2.753) 6.918 2.810 ( -11.006 8.187 2.984) 14.038 2.919 ( -6.292 7.082 -3.152) 9.984 3.033 ( -9.875 15.235 11.848) 21.680 3.248 ( 2.045 -2.456 -6.841) 7.551 3.317 ( -1.088 4.680 -1.408) 5.007 3.424 ( 12.479 -0.894 3.255) 12.927 3.530 ( 4.209 -4.694 4.553) 7.777 3.616 ( 5.395 -4.116 -0.869) 6.841 3.681 ( 0.380 6.819 -2.308) 7.209 3.757 ( 8.131 -7.838 1.107) 11.348 3.854 ( 5.534 -1.426 0.004) 5.714 3.888 ( 1.503 2.198 0.932) 2.821 3.910 ( 6.098 0.728 1.608) 6.348 4.165 ( 4.580 -4.363 -3.194) 7.086 4.302 ( -3.248 0.270 2.282) 3.979 4.528 ( 4.879 -3.744 1.689) 6.378 4.687 ( 5.770 -3.730 -4.384) 8.150 4.796 ( 3.422 -0.327 0.308) 3.451 4.929 ( -1.433 -1.501 0.998) 2.303 4.977 ( 0.388 0.272 -2.936) 2.974 5.116 ( 1.382 0.106 3.189) 3.477 5.165 ( -2.314 0.369 -1.266) 2.663 5.189 ( -2.587 -0.961 -1.359) 3.076 5.229 ( -2.219 -1.612 -1.843) 3.304 5.505 ( -5.102 -1.339 0.718) 5.323 5.822 ( -6.957 -1.388 -3.926) 8.108 5.968 ( -8.861 -2.063 -0.900) 9.142 6.159 ( -9.144 -2.111 3.164) 9.904 6.323 ( -3.809 -10.019 6.812) 12.700 6.692 ( -9.216 -3.258 -1.427) 9.878 6.889 ( -13.529 -0.187 2.297) 13.724 7.523 ( -7.063 -8.025 -1.143) 10.751 7.838 ( -6.212 -0.154 -0.852) 6.272 8.208 ( 2.837 -2.404 2.003) 4.224 8.453 ( -0.155 -3.027 1.054) 3.209 8.671 ( 8.199 -3.523 1.600) 9.066 8.935 ( 6.469 2.074 -13.063) 14.723 9.209 ( -2.078 7.361 2.232) 7.968 9.493 ( -3.002 -0.932 4.702) 5.656 9.885 ( 4.302 3.804 -4.157) 7.089 9.921 ( 4.959 -3.023 -1.215) 5.933 10.296 ( -3.564 -0.007 -3.438) 4.952 10.379 ( -5.631 0.527 8.424) 10.147 10.663 ( -6.459 -2.474 9.154) 11.474 10.898 ( -9.280 4.598 -5.202) 11.589 11.224 ( -4.320 -3.754 -3.066) 6.493 11.392 ( -2.958 -3.644 -0.118) 4.695 11.631 ( -2.471 -2.255 -1.664) 3.736 11.845 ( -7.417 -3.328 2.823) 8.606 14.952 ( 1.100 0.047 0.575) 1.242 15.104 ( 0.120 3.694 -1.296) 3.917 20.322 ( 1.923 0.575 2.950) 3.568 20.576 ( -4.265 2.253 -4.517) 6.608 21.011 ( 1.088 2.892 -0.700) 3.168 21.134 ( -1.332 4.270 0.266) 4.481 21.475 ( 14.389 13.328 1.379) 19.661 22.247 ( -0.720 3.186 9.986) 10.506 22.840 ( 17.073 -3.904 -0.912) 17.537 23.196 ( 13.571 -14.793 -7.159) 21.314 25.074 ( -15.001 -2.942 2.029) 15.421 25.130 ( -15.122 -1.318 -2.816) 15.438 28.183 ( -1.962 -0.732 -0.704) 2.209 28.366 ( -0.283 -3.155 -0.888) 3.290 ======================= Grid point 187 (82/95) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -1.098 8.935 4.927) 10.263 1.296 ( -13.875 11.679 15.411) 23.799 1.375 ( -11.331 13.803 -5.517) 18.691 1.482 ( -10.565 11.828 -6.634) 17.192 2.124 ( 4.002 13.849 2.109) 14.569 2.264 ( -5.371 18.881 -24.073) 31.062 2.433 ( -4.381 8.130 8.684) 12.677 2.490 ( -3.118 9.343 8.496) 13.008 2.739 ( 3.002 -2.359 7.513) 8.428 2.788 ( -0.952 -0.353 -8.344) 8.405 2.900 ( 9.690 -4.527 -1.069) 10.749 3.022 ( 3.277 -5.644 1.557) 6.709 3.204 ( -3.368 3.313 -1.527) 4.965 3.290 ( -2.188 1.666 -2.105) 3.464 3.489 ( -0.582 6.932 -5.436) 8.829 3.561 ( -0.897 2.986 9.268) 9.779 3.738 ( 7.597 -3.718 4.106) 9.402 3.749 ( 2.874 -5.288 -3.225) 6.828 3.904 ( 2.332 -4.683 0.317) 5.241 4.011 ( 5.100 -1.680 -3.277) 6.291 4.017 ( 9.207 -5.216 1.196) 10.649 4.084 ( 8.880 -6.523 0.424) 11.027 4.224 ( -0.541 0.669 0.299) 0.911 4.310 ( 0.109 -6.165 -0.478) 6.184 4.637 ( 3.354 -3.547 1.679) 5.162 4.758 ( -2.468 -3.303 0.866) 4.214 4.887 ( 5.051 1.175 -4.019) 6.561 4.950 ( 0.347 -0.172 1.570) 1.617 4.993 ( 1.288 -3.863 4.583) 6.131 5.064 ( -2.731 3.460 -3.616) 5.701 5.115 ( -0.876 1.561 1.872) 2.590 5.214 ( -0.361 -3.626 -8.262) 9.030 5.257 ( 5.572 -1.197 1.389) 5.866 5.433 ( -1.362 -1.388 -2.657) 3.293 5.683 ( -7.938 0.198 -4.249) 9.006 5.793 ( -8.667 1.461 3.981) 9.649 6.068 ( -2.874 -3.584 -2.108) 5.054 6.349 ( -3.295 -6.622 11.228) 13.446 6.548 ( -11.020 -5.397 -1.027) 12.314 6.591 ( -18.152 -0.816 6.719) 19.373 7.633 ( 7.852 -6.744 -6.504) 12.224 7.793 ( -0.748 -1.877 -1.185) 2.342 8.321 ( 7.834 -1.574 -2.035) 8.246 8.433 ( -1.829 -3.682 0.252) 4.119 8.790 ( -9.871 -3.167 1.994) 10.557 8.859 ( -4.505 -0.186 -5.327) 6.979 9.203 ( 8.348 4.626 4.729) 10.651 9.424 ( 0.405 5.304 0.739) 5.370 9.879 ( -0.076 0.528 -1.753) 1.832 10.036 ( -5.714 -3.562 -3.070) 7.400 10.202 ( -1.242 -4.732 3.659) 6.109 10.354 ( 2.061 4.058 -0.450) 4.573 10.554 ( -6.823 0.658 6.118) 9.188 10.671 ( -7.344 8.169 -1.545) 11.093 11.205 ( 1.706 -1.048 -3.655) 4.167 11.387 ( -4.396 -4.696 3.870) 7.507 11.632 ( 0.264 -4.880 -4.238) 6.469 11.757 ( -6.014 -4.735 2.526) 8.061 14.975 ( 2.187 2.051 0.444) 3.031 15.054 ( -1.091 4.218 -1.117) 4.498 20.358 ( 2.297 0.379 2.991) 3.790 20.477 ( -3.801 1.487 -3.295) 5.246 20.998 ( 1.494 4.161 -2.774) 5.219 21.057 ( -2.059 3.976 2.363) 5.062 21.652 ( 18.670 13.012 1.116) 22.784 22.187 ( -5.237 3.508 10.928) 12.616 23.243 ( 19.609 -8.626 0.777) 21.436 23.553 ( 7.953 -14.928 -9.132) 19.222 24.808 ( -13.338 0.985 -1.380) 13.445 24.861 ( -15.271 -3.084 -0.431) 15.585 28.172 ( 1.573 0.114 -2.932) 3.329 28.365 ( -4.416 -4.009 -0.589) 5.993 ======================= Grid point 188 (83/95) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 2.523 8.962 -15.459) 18.046 0.980 ( -2.523 8.962 15.459) 18.046 1.199 ( 1.588 13.965 -20.504) 24.859 1.199 ( -1.588 13.965 20.504) 24.859 2.004 ( -0.562 17.445 -31.828) 36.300 2.004 ( 0.562 17.445 31.828) 36.300 2.368 ( 2.967 5.072 -5.189) 7.839 2.368 ( -2.967 5.072 5.189) 7.839 2.803 ( 0.065 -2.976 -11.477) 11.856 2.803 ( -0.065 -2.976 11.477) 11.856 3.102 ( -1.681 -2.485 0.055) 3.001 3.102 ( 1.681 -2.485 -0.055) 3.001 3.169 ( -4.692 0.189 -3.303) 5.741 3.169 ( 4.692 0.189 3.303) 5.741 3.480 ( 4.034 1.868 -12.884) 13.629 3.480 ( -4.034 1.868 12.884) 13.629 3.832 ( 0.735 -3.907 -4.592) 6.074 3.832 ( -0.735 -3.907 4.592) 6.074 4.027 ( -4.158 -1.366 -2.864) 5.230 4.027 ( 4.158 -1.366 2.864) 5.230 4.202 ( -1.897 -4.161 -0.409) 4.591 4.202 ( 1.897 -4.161 0.409) 4.591 4.312 ( -1.662 -7.509 -3.099) 8.291 4.312 ( 1.662 -7.509 3.099) 8.291 4.725 ( 1.650 -1.886 -6.439) 6.909 4.725 ( -1.650 -1.886 6.439) 6.909 4.916 ( 1.369 3.313 -4.211) 5.530 4.916 ( -1.369 3.313 4.211) 5.530 4.987 ( 4.031 4.088 -7.590) 9.516 4.987 ( -4.031 4.088 7.590) 9.516 5.205 ( -3.442 -5.114 -7.955) 10.064 5.205 ( 3.442 -5.114 7.955) 10.064 5.438 ( -3.788 -3.494 -2.506) 5.731 5.438 ( 3.788 -3.494 2.506) 5.731 5.618 ( 7.653 2.462 -10.060) 12.877 5.618 ( -7.653 2.462 10.060) 12.877 6.183 ( 14.785 0.615 -12.537) 19.395 6.183 ( -14.785 0.615 12.537) 19.395 6.461 ( -3.100 -3.940 -1.594) 5.261 6.461 ( 3.100 -3.940 1.594) 5.261 7.793 ( -1.199 -2.730 -2.634) 3.979 7.793 ( 1.199 -2.730 2.634) 3.979 8.479 ( 1.932 -2.256 -4.027) 5.004 8.479 ( -1.932 -2.256 4.027) 5.004 8.694 ( 5.029 -2.125 -16.987) 17.843 8.694 ( -5.029 -2.125 16.987) 17.843 9.365 ( -4.443 3.160 -4.570) 7.114 9.365 ( 4.443 3.160 4.570) 7.114 9.893 ( 6.251 -2.204 -5.557) 8.649 9.893 ( -6.251 -2.204 5.557) 8.649 10.302 ( 3.461 -0.122 -9.037) 9.677 10.302 ( -3.461 -0.122 9.037) 9.677 10.486 ( -2.587 5.765 0.308) 6.327 10.486 ( 2.587 5.765 -0.308) 6.327 11.304 ( 1.031 -1.078 -0.873) 1.728 11.304 ( -1.031 -1.078 0.873) 1.728 11.726 ( 2.750 -5.289 -3.422) 6.874 11.726 ( -2.750 -5.289 3.422) 6.874 14.983 ( 0.219 3.830 -3.817) 5.412 14.983 ( -0.219 3.830 3.817) 5.412 20.406 ( -2.542 -0.082 -2.128) 3.316 20.406 ( 2.542 -0.082 2.128) 3.316 20.989 ( 1.896 2.877 -9.803) 10.390 20.989 ( -1.896 2.877 9.803) 10.390 21.909 ( -12.841 8.193 1.269) 15.285 21.909 ( 12.841 8.193 -1.269) 15.285 23.680 ( -10.045 -12.572 -9.757) 18.819 23.680 ( 10.045 -12.572 9.757) 18.819 24.673 ( 2.766 0.696 -5.550) 6.240 24.673 ( -2.766 0.696 5.550) 6.240 28.268 ( -6.934 -1.649 1.469) 7.277 28.268 ( 6.934 -1.649 -1.469) 7.277 ======================= Grid point 192 (84/95) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 22.620 0.000 13.080) 26.129 1.647 ( -0.880 -0.000 1.912) 2.105 1.793 ( 11.629 0.000 -6.308) 13.230 2.051 ( 14.373 0.000 11.574) 18.454 2.312 ( 15.203 0.000 -10.635) 18.553 2.337 ( -5.957 -0.000 -4.697) 7.586 2.485 ( -6.739 -0.000 -4.576) 8.145 2.588 ( -14.077 -0.000 6.622) 15.557 2.647 ( -6.140 -0.000 6.890) 9.228 2.703 ( -3.193 -0.000 3.680) 4.872 2.960 ( 2.987 0.000 2.361) 3.807 3.004 ( 2.159 0.000 -12.206) 12.395 3.225 ( 2.974 0.000 2.123) 3.654 3.232 ( -4.096 -0.000 -7.498) 8.544 3.272 ( -2.144 -0.000 -0.918) 2.333 3.480 ( -2.253 -0.000 2.222) 3.165 3.579 ( 7.047 0.000 10.036) 12.263 3.627 ( 2.719 0.000 -2.991) 4.042 3.692 ( -1.051 -0.000 -4.496) 4.617 3.711 ( -2.092 -0.000 2.041) 2.923 3.763 ( 1.374 0.000 -7.816) 7.936 3.884 ( 0.904 0.000 1.777) 1.994 4.171 ( -0.007 -0.000 -5.383) 5.383 4.442 ( 7.716 0.000 5.953) 9.746 4.672 ( -1.228 -0.000 3.903) 4.091 4.680 ( -0.733 -0.000 1.183) 1.391 4.754 ( -2.095 -0.000 2.430) 3.208 4.904 ( -0.351 -0.000 -4.357) 4.371 4.971 ( -2.231 -0.000 2.381) 3.263 5.106 ( 2.222 0.000 0.561) 2.291 5.191 ( -3.061 -0.000 -5.219) 6.051 5.216 ( 3.809 0.000 1.787) 4.207 5.362 ( 0.223 0.000 -4.374) 4.380 5.474 ( -3.727 -0.000 6.023) 7.083 6.033 ( -1.604 -0.000 3.430) 3.786 6.156 ( -0.446 -0.000 -2.968) 3.001 6.211 ( -11.548 -0.000 2.822) 11.888 6.333 ( -1.293 -0.000 -2.227) 2.575 7.210 ( 20.258 0.000 0.898) 20.278 7.450 ( 14.311 0.000 -1.927) 14.440 7.813 ( -15.576 -0.000 -5.762) 16.607 7.935 ( -15.248 -0.000 7.393) 16.945 8.206 ( 4.674 0.000 -1.133) 4.810 8.366 ( 2.796 0.000 2.564) 3.794 8.647 ( -1.265 -0.000 -4.022) 4.216 8.695 ( 1.657 0.000 -0.388) 1.701 9.098 ( -10.382 -0.000 15.030) 18.267 9.200 ( -1.900 -0.000 -19.548) 19.640 9.683 ( 1.823 0.000 5.812) 6.091 9.920 ( 4.531 0.000 -3.880) 5.965 10.561 ( -3.766 -0.000 8.658) 9.442 10.651 ( 5.196 0.000 -0.731) 5.247 10.889 ( 6.069 0.000 -4.681) 7.665 10.970 ( -2.543 -0.000 6.842) 7.300 11.408 ( -5.868 -0.000 -12.955) 14.222 11.513 ( 5.661 0.000 0.175) 5.664 11.828 ( -5.822 -0.000 -5.695) 8.144 11.902 ( 4.642 0.000 12.790) 13.606 14.963 ( -1.641 -0.000 -3.013) 3.431 15.053 ( 3.914 0.000 2.445) 4.615 20.274 ( -0.583 -0.000 -1.889) 1.977 20.710 ( 2.977 0.000 4.538) 5.427 20.825 ( 3.226 0.000 -0.351) 3.245 21.119 ( 1.855 0.000 1.254) 2.239 21.454 ( 12.188 0.000 -8.521) 14.871 22.118 ( -3.801 -0.000 9.811) 10.522 22.272 ( -5.303 -0.000 -11.851) 12.984 22.932 ( -13.221 -0.000 6.987) 14.954 25.406 ( 1.227 0.000 2.263) 2.574 25.573 ( 2.571 0.000 -1.924) 3.211 28.300 ( -4.647 -0.000 1.841) 4.998 28.317 ( 1.322 0.000 -1.903) 2.317 ======================= Grid point 193 (85/95) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 12.549 3.481 4.227) 13.692 1.678 ( 4.494 -4.564 -3.938) 7.518 1.956 ( 7.554 4.992 -1.742) 9.220 2.160 ( -6.746 0.329 8.046) 10.505 2.226 ( 1.855 4.983 1.605) 5.554 2.317 ( -4.563 2.340 1.927) 5.478 2.433 ( 2.642 0.223 -3.253) 4.196 2.594 ( 10.059 1.674 -4.322) 11.075 2.606 ( 0.913 -2.376 3.500) 4.328 2.719 ( 0.706 -7.407 7.732) 10.730 2.978 ( 2.558 1.242 -1.174) 3.076 3.092 ( -2.904 -1.753 -5.937) 6.838 3.125 ( -0.623 -8.529 -3.552) 9.260 3.230 ( -0.117 0.739 -3.405) 3.486 3.332 ( 3.881 2.599 3.736) 5.981 3.476 ( -0.529 -0.079 1.369) 1.470 3.589 ( -5.596 1.357 -0.919) 5.831 3.622 ( 1.323 1.603 0.824) 2.236 3.667 ( -2.910 -0.737 -6.547) 7.203 3.761 ( 7.366 -5.384 4.128) 10.014 3.828 ( 3.350 -1.940 -5.326) 6.585 3.881 ( -0.950 1.975 0.843) 2.348 4.225 ( 6.387 2.405 -6.464) 9.401 4.424 ( -6.044 4.361 9.163) 11.811 4.650 ( -0.118 3.933 4.850) 6.246 4.722 ( 1.320 5.156 0.745) 5.374 4.793 ( 7.466 -1.776 -3.090) 8.273 4.876 ( -1.426 -0.420 -3.030) 3.375 4.940 ( -1.483 0.082 -0.087) 1.488 5.061 ( -4.119 4.910 -6.082) 8.836 5.161 ( 0.064 -2.561 3.695) 4.497 5.259 ( -3.386 -1.966 4.242) 5.773 5.376 ( -3.968 -1.556 -0.099) 4.263 5.385 ( 0.189 -3.856 -1.162) 4.032 5.964 ( -7.600 2.953 0.205) 8.156 6.041 ( -3.969 -2.997 3.528) 6.098 6.158 ( 0.106 -2.253 -2.420) 3.308 6.299 ( -3.827 -0.680 1.589) 4.200 7.304 ( -20.820 1.304 -2.005) 20.957 7.439 ( -6.501 0.282 0.905) 6.569 7.754 ( 2.275 0.916 2.319) 3.375 7.802 ( 7.138 -2.762 3.488) 8.412 8.225 ( -0.111 2.964 -1.700) 3.419 8.395 ( -1.285 -3.552 -4.421) 5.815 8.427 ( -15.892 -0.413 -5.476) 16.814 8.784 ( 5.944 1.576 -1.478) 6.325 9.012 ( 1.790 -1.726 17.687) 17.861 9.325 ( 13.840 0.626 -16.107) 21.246 9.688 ( -1.686 0.936 2.946) 3.521 10.030 ( 5.906 -0.600 -1.656) 6.163 10.498 ( -4.075 -0.241 10.521) 11.285 10.646 ( -3.050 6.100 -0.936) 6.884 10.873 ( -2.488 1.455 1.248) 3.140 10.976 ( -4.623 -7.329 -0.568) 8.684 11.297 ( -4.182 0.085 -11.265) 12.017 11.593 ( 3.236 1.551 1.854) 4.039 11.673 ( -9.177 -0.223 -4.771) 10.345 11.950 ( -1.908 -1.718 8.982) 9.341 14.931 ( -1.614 -0.516 -1.798) 2.471 15.122 ( 3.343 0.360 0.994) 3.506 20.275 ( 0.864 0.106 -0.132) 0.880 20.746 ( 0.526 0.402 2.372) 2.463 20.906 ( 4.431 -1.293 -2.540) 5.268 21.168 ( 3.338 0.816 1.597) 3.790 21.634 ( 11.513 10.231 -5.725) 16.432 22.084 ( -1.261 -8.799 9.872) 13.284 22.312 ( 6.812 -2.071 -9.860) 12.162 22.726 ( -7.911 2.119 4.630) 9.407 25.366 ( -6.194 -1.253 1.309) 6.454 25.545 ( -4.933 0.733 -1.130) 5.114 28.229 ( -3.277 -0.452 0.754) 3.393 28.324 ( -0.113 0.102 -1.075) 1.085 ======================= Grid point 194 (86/95) ======================= q-point: (-0.56 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -2.235 11.384 -3.700) 12.177 1.846 ( 2.296 -0.759 2.283) 3.326 2.016 ( 2.802 6.638 2.937) 7.780 2.111 ( 5.211 -5.048 -0.425) 7.267 2.273 ( 2.779 3.055 3.076) 5.150 2.300 ( 6.905 4.442 -2.467) 8.573 2.409 ( -3.484 9.603 -2.623) 10.547 2.623 ( 1.528 -0.839 -2.062) 2.700 2.701 ( 3.160 1.344 5.554) 6.530 2.919 ( 6.960 -10.263 1.743) 12.522 3.013 ( -2.462 -3.860 3.013) 5.481 3.127 ( -6.555 0.595 -0.134) 6.583 3.162 ( 3.542 -9.049 -2.648) 10.072 3.235 ( 0.612 -4.752 -0.594) 4.828 3.294 ( 0.970 -0.922 0.260) 1.363 3.403 ( -2.405 3.099 4.131) 5.696 3.597 ( 0.099 0.084 -7.255) 7.256 3.666 ( 5.740 0.277 -5.610) 8.032 3.691 ( 6.218 1.931 2.191) 6.870 3.803 ( -1.033 4.734 -0.263) 4.853 3.880 ( 3.123 0.966 -4.211) 5.331 3.971 ( 4.355 -7.672 2.926) 9.294 4.211 ( -3.979 9.908 4.507) 11.590 4.326 ( 2.020 2.326 -3.695) 4.811 4.582 ( -0.691 8.393 3.209) 9.012 4.673 ( 1.445 7.217 0.427) 7.372 4.818 ( -1.805 3.107 1.633) 3.947 4.880 ( -0.369 -3.319 -2.310) 4.061 4.946 ( -1.208 -2.424 -5.049) 5.730 5.015 ( 4.241 1.280 -1.556) 4.695 5.144 ( -3.994 -3.614 4.596) 7.081 5.228 ( -1.557 -1.897 1.294) 2.774 5.300 ( -4.827 0.607 -1.259) 5.025 5.461 ( -0.026 -5.796 -0.919) 5.868 5.823 ( -6.043 -1.921 -3.413) 7.201 6.015 ( -4.045 -4.839 2.493) 6.782 6.158 ( -4.543 -1.970 0.596) 4.987 6.210 ( -8.127 -4.919 7.451) 12.074 6.929 ( -15.916 2.319 -6.571) 17.374 7.163 ( -16.255 0.323 0.130) 16.258 7.582 ( -18.127 -4.098 7.259) 19.951 8.026 ( -2.511 0.770 5.967) 6.520 8.130 ( -3.393 -1.487 -5.960) 7.018 8.242 ( 7.006 0.639 -1.964) 7.305 8.528 ( 5.072 -3.830 -2.987) 7.022 8.834 ( 5.654 1.993 -7.630) 9.704 9.194 ( 9.937 -2.121 9.282) 13.762 9.521 ( 3.419 2.983 -0.705) 4.592 9.671 ( 5.614 -1.284 -4.664) 7.411 10.099 ( 1.544 3.419 1.406) 4.007 10.421 ( -5.874 -2.029 6.423) 8.937 10.469 ( -6.382 6.294 -1.847) 9.152 10.784 ( -6.867 0.829 2.527) 7.364 10.952 ( -5.065 -8.265 -0.067) 9.694 11.220 ( -4.267 0.154 -7.345) 8.496 11.477 ( -9.112 -0.440 -4.280) 10.077 11.637 ( 0.387 0.642 2.470) 2.581 11.884 ( -7.836 -3.101 5.222) 9.914 14.920 ( -0.091 -0.840 0.416) 0.942 15.164 ( 1.921 1.378 -1.121) 2.616 20.302 ( 2.093 0.497 1.831) 2.825 20.714 ( -2.659 1.650 -3.877) 4.983 21.002 ( 4.704 -0.166 0.669) 4.754 21.218 ( 3.411 2.499 0.805) 4.305 21.686 ( 10.202 15.435 -1.543) 18.566 22.238 ( 4.393 -7.141 7.232) 11.072 22.509 ( 9.737 -5.413 -4.664) 12.077 22.644 ( 1.642 -2.382 -0.132) 2.896 25.214 ( -12.052 -2.847 0.783) 12.408 25.384 ( -11.269 0.593 -0.710) 11.307 28.188 ( -1.941 -0.905 -0.214) 2.152 28.318 ( -0.583 -0.674 -0.255) 0.927 ======================= Grid point 195 (87/95) ======================= q-point: (-0.44 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 6.630 12.515 5.507) 15.196 1.796 ( -4.863 6.588 6.574) 10.501 1.944 ( -3.442 9.769 -5.258) 11.616 2.080 ( -10.835 13.669 -10.057) 20.134 2.269 ( 9.361 4.551 0.767) 10.437 2.408 ( 7.264 -7.094 1.153) 10.219 2.427 ( 3.368 2.705 0.957) 4.424 2.591 ( -6.687 -0.396 -2.603) 7.186 2.664 ( -1.464 -3.411 -2.301) 4.367 2.876 ( -3.514 3.888 5.392) 7.519 3.046 ( -2.974 -1.989 0.683) 3.643 3.164 ( 0.156 -4.931 0.251) 4.940 3.324 ( 1.323 7.029 4.498) 8.449 3.337 ( 4.800 -5.135 -3.978) 8.076 3.363 ( 4.365 -5.183 2.008) 7.067 3.401 ( 5.525 -5.076 1.608) 7.673 3.598 ( 2.324 5.196 -5.569) 7.963 3.644 ( 2.948 0.936 -2.823) 4.188 3.796 ( 6.242 3.427 4.065) 8.200 3.865 ( 3.770 1.819 -3.042) 5.175 3.934 ( 5.709 0.838 3.199) 6.598 3.996 ( -1.314 6.324 3.436) 7.317 4.125 ( 2.217 0.823 -2.914) 3.753 4.320 ( -0.044 2.828 -0.854) 2.954 4.526 ( 2.218 3.587 0.965) 4.326 4.662 ( 1.706 1.015 -0.997) 2.222 4.799 ( 2.225 0.738 -0.699) 2.447 4.900 ( -0.081 -1.366 -0.155) 1.377 4.946 ( -1.450 -3.260 -2.414) 4.308 5.090 ( 2.898 -1.350 2.840) 4.276 5.135 ( -0.995 -3.736 1.240) 4.060 5.191 ( -4.740 -0.017 -3.770) 6.057 5.207 ( -1.948 1.252 -0.834) 2.462 5.454 ( -5.866 -3.608 2.320) 7.267 5.764 ( -4.876 -4.973 -5.344) 8.778 5.912 ( -10.587 -3.341 0.190) 11.103 6.063 ( -12.945 -8.522 7.526) 17.229 6.148 ( -1.343 -5.345 -0.242) 5.516 6.650 ( -14.382 -1.220 0.106) 14.434 6.878 ( -15.569 -0.275 3.837) 16.037 7.380 ( -5.487 -5.865 -2.490) 8.409 7.835 ( -8.250 -0.183 -1.946) 8.479 8.176 ( 2.867 -1.050 5.169) 6.003 8.413 ( 3.207 -0.901 1.910) 3.840 8.602 ( 3.748 -3.817 -0.982) 5.439 8.961 ( 5.397 0.879 -17.172) 18.022 9.324 ( 2.773 3.177 3.445) 5.445 9.460 ( -2.947 0.102 6.999) 7.595 9.854 ( 8.139 -2.538 -3.155) 9.091 10.015 ( -2.605 6.759 -2.395) 7.630 10.310 ( -5.327 0.834 0.708) 5.438 10.405 ( 1.071 1.376 6.356) 6.591 10.631 ( -7.990 -0.102 6.859) 10.531 10.929 ( -5.648 -4.206 -2.012) 7.324 11.125 ( -4.592 -2.154 -5.640) 7.585 11.351 ( -5.101 -1.491 -4.619) 7.041 11.608 ( -3.132 0.016 2.552) 4.040 11.754 ( -10.201 -5.218 2.906) 11.821 14.947 ( 2.124 -0.408 2.670) 3.437 15.163 ( 0.215 2.269 -3.209) 3.936 20.341 ( 2.690 1.172 3.416) 4.503 20.624 ( -4.036 2.354 -6.466) 7.978 21.068 ( 3.689 3.169 3.209) 5.827 21.232 ( 1.481 4.803 -1.019) 5.128 21.755 ( 13.785 14.349 -1.938) 19.992 22.300 ( -0.164 1.538 8.283) 8.427 22.745 ( 11.913 -5.423 0.137) 13.090 22.886 ( 10.502 -15.261 -4.976) 19.182 24.996 ( -14.400 -3.758 1.109) 14.923 25.130 ( -15.040 0.347 -1.331) 15.103 28.170 ( -0.784 -0.532 -1.378) 1.672 28.315 ( -1.273 -1.935 0.571) 2.386 ======================= Grid point 196 (88/95) ======================= q-point: (-0.33 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 2.446 12.846 6.694) 14.690 1.573 ( -9.740 15.210 8.672) 20.035 1.620 ( -12.047 11.002 3.229) 16.631 1.741 ( -8.470 13.919 -15.071) 22.195 2.365 ( 8.524 9.204 0.266) 12.548 2.462 ( -3.596 -1.583 -1.312) 4.142 2.485 ( 0.834 -1.614 -6.963) 7.196 2.627 ( 9.705 3.063 -1.823) 10.338 2.734 ( 1.568 -1.924 3.667) 4.428 2.856 ( -0.359 -1.281 1.886) 2.308 2.934 ( 2.988 12.131 -1.729) 12.612 3.046 ( -3.919 11.299 6.801) 13.758 3.270 ( -1.438 5.255 -8.965) 10.491 3.324 ( -1.782 2.792 2.683) 4.263 3.534 ( 3.446 -7.933 -1.509) 8.780 3.607 ( -0.004 -8.741 3.296) 9.342 3.639 ( 6.616 2.871 1.824) 7.439 3.719 ( 3.131 1.345 -0.498) 3.444 3.831 ( 0.026 1.618 -0.008) 1.619 3.877 ( 0.663 -3.840 -1.651) 4.232 3.989 ( 5.933 0.435 2.051) 6.292 4.036 ( 5.252 0.595 2.191) 5.722 4.222 ( 5.274 -1.488 -2.454) 6.004 4.274 ( -0.671 2.907 0.337) 3.003 4.579 ( 3.058 -2.180 2.190) 4.348 4.682 ( -1.559 -3.937 -2.332) 4.834 4.870 ( 4.018 -2.001 -4.181) 6.135 4.923 ( 1.636 -1.022 5.446) 5.778 4.937 ( -2.926 -3.102 2.218) 4.806 5.092 ( -2.797 -0.186 -6.563) 7.137 5.145 ( -0.496 0.073 5.129) 5.154 5.156 ( -2.598 -1.056 -6.559) 7.134 5.210 ( 4.439 -2.719 0.392) 5.220 5.376 ( -4.002 -4.177 1.226) 5.914 5.668 ( -7.803 -1.822 -1.972) 8.252 5.788 ( -8.900 -2.592 2.731) 9.663 5.966 ( -1.172 -7.028 -7.569) 10.395 6.199 ( -2.051 -7.792 7.540) 11.035 6.422 ( -12.914 -6.514 1.450) 14.536 6.585 ( -15.450 0.594 8.068) 17.440 7.490 ( 8.324 -6.850 -8.360) 13.642 7.744 ( -3.864 -2.668 -0.785) 4.761 8.296 ( 8.548 -1.169 4.755) 9.851 8.399 ( -0.707 -0.121 0.932) 1.176 8.695 ( -4.105 -5.001 6.469) 9.149 8.869 ( -10.593 0.165 -19.353) 22.064 9.309 ( 3.866 5.496 4.901) 8.317 9.474 ( 2.327 0.965 1.762) 3.075 9.912 ( -2.094 2.361 1.937) 3.703 10.003 ( 1.642 -0.916 -7.433) 7.667 10.191 ( -1.589 3.495 5.204) 6.467 10.410 ( -1.541 1.406 2.794) 3.487 10.569 ( 1.241 0.522 6.819) 6.951 10.804 ( -6.854 3.824 -3.893) 8.761 11.131 ( 1.125 -5.500 -2.470) 6.133 11.296 ( -3.656 -3.205 -0.913) 4.946 11.552 ( -3.175 -3.072 -1.491) 4.663 11.639 ( -8.206 -6.656 2.699) 10.905 15.003 ( 3.514 0.844 3.880) 5.302 15.123 ( -1.506 2.671 -4.332) 5.308 20.381 ( 2.909 1.777 4.245) 5.445 20.518 ( -3.991 2.501 -5.973) 7.606 21.086 ( 2.680 5.235 4.215) 7.236 21.173 ( -1.073 6.770 -3.156) 7.546 21.904 ( 15.924 11.838 -3.337) 20.121 22.259 ( -2.758 3.531 8.247) 9.386 23.053 ( 12.373 -10.209 2.926) 16.306 23.218 ( 6.199 -17.798 -6.014) 19.783 24.784 ( -11.128 -2.607 2.825) 11.773 24.845 ( -13.549 0.810 -3.475) 14.011 28.174 ( 1.522 0.033 -2.892) 3.268 28.299 ( -3.361 -2.557 1.639) 4.530 ======================= Grid point 197 (89/95) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 0.605 14.609 -10.582) 18.049 1.227 ( -0.605 14.609 10.582) 18.049 1.476 ( -2.778 13.840 -19.644) 24.190 1.476 ( 2.778 13.840 19.644) 24.190 2.394 ( 0.559 13.444 -9.580) 16.518 2.394 ( -0.559 13.444 9.580) 16.518 2.485 ( -0.620 7.887 -8.221) 11.409 2.485 ( 0.620 7.887 8.221) 11.409 2.789 ( -1.819 4.131 -4.405) 6.307 2.789 ( 1.819 4.131 4.405) 6.307 3.017 ( 1.950 -4.079 -1.098) 4.652 3.017 ( -1.950 -4.079 1.098) 4.652 3.210 ( 2.621 3.618 -4.782) 6.544 3.210 ( -2.621 3.618 4.782) 6.544 3.581 ( 0.112 7.004 -3.888) 8.012 3.581 ( -0.112 7.004 3.888) 8.012 3.718 ( 1.649 -6.789 -2.392) 7.385 3.718 ( -1.649 -6.789 2.392) 7.385 3.949 ( -4.561 -7.877 -1.340) 9.200 3.949 ( 4.561 -7.877 1.340) 9.200 4.081 ( 1.832 -3.033 -2.427) 4.295 4.081 ( -1.832 -3.033 2.427) 4.295 4.267 ( -1.277 0.491 -1.473) 2.010 4.267 ( 1.277 0.491 1.473) 2.010 4.674 ( -1.953 -3.418 -3.294) 5.133 4.674 ( 1.953 -3.418 3.294) 5.133 4.916 ( 0.907 -1.871 -4.170) 4.659 4.916 ( -0.907 -1.871 4.170) 4.659 5.035 ( -1.966 -1.438 -8.155) 8.511 5.035 ( 1.966 -1.438 8.155) 8.511 5.128 ( -1.027 -0.954 -5.787) 5.954 5.128 ( 1.027 -0.954 5.787) 5.954 5.358 ( -6.533 -4.364 0.097) 7.857 5.358 ( 6.533 -4.364 -0.097) 7.857 5.637 ( 6.327 -0.588 -6.539) 9.117 5.637 ( -6.327 -0.588 6.539) 9.117 6.147 ( 12.759 -5.413 -16.193) 21.314 6.147 ( -12.759 -5.413 16.193) 21.314 6.383 ( 5.002 -2.652 -5.839) 8.133 6.383 ( -5.002 -2.652 5.839) 8.133 7.703 ( 0.992 -5.748 -2.245) 6.250 7.703 ( -0.992 -5.748 2.245) 6.250 8.441 ( -0.460 -1.123 -0.088) 1.217 8.441 ( 0.460 -1.123 0.088) 1.217 8.657 ( -4.849 -1.793 -16.805) 17.582 8.657 ( 4.849 -1.793 16.805) 17.582 9.417 ( -7.625 2.222 -3.880) 8.839 9.417 ( 7.625 2.222 3.880) 8.839 9.893 ( -2.818 2.315 -5.739) 6.799 9.893 ( 2.818 2.315 5.739) 6.799 10.304 ( -5.660 0.131 -2.055) 6.023 10.304 ( 5.660 0.131 2.055) 6.023 10.617 ( -4.251 6.351 -2.103) 7.926 10.617 ( 4.251 6.351 2.103) 7.926 11.249 ( 0.370 -4.267 -2.653) 5.038 11.249 ( -0.370 -4.267 2.653) 5.038 11.600 ( 2.923 -6.703 -3.437) 8.080 11.600 ( -2.923 -6.703 3.437) 8.080 15.051 ( -1.615 2.668 -6.270) 7.003 15.051 ( 1.615 2.668 6.270) 7.003 20.424 ( -3.231 1.798 -4.362) 5.719 20.424 ( 3.231 1.798 4.362) 5.719 21.076 ( -0.686 5.726 -7.441) 9.414 21.076 ( 0.686 5.726 7.441) 9.414 22.077 ( 8.216 7.988 -6.756) 13.303 22.077 ( -8.216 7.988 6.756) 13.303 23.387 ( -6.274 -15.981 -7.097) 18.578 23.387 ( 6.274 -15.981 7.097) 18.578 24.684 ( -0.455 0.375 -5.552) 5.583 24.684 ( 0.455 0.375 5.552) 5.583 28.238 ( 4.755 -1.271 -3.053) 5.792 28.238 ( -4.755 -1.271 3.053) 5.792 ======================= Grid point 203 (90/95) ======================= q-point: (-0.67 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -1.876 -0.000 -9.188) 9.377 1.781 ( 7.624 0.000 5.754) 9.551 2.073 ( -1.729 -0.000 1.304) 2.165 2.098 ( 6.136 0.000 1.763) 6.384 2.233 ( -0.111 -0.000 -4.822) 4.823 2.452 ( 11.798 0.000 7.409) 13.931 2.502 ( 2.688 0.000 -5.646) 6.253 2.596 ( -1.286 -0.000 5.021) 5.183 2.744 ( 1.704 0.000 4.270) 4.598 2.797 ( 8.855 0.000 7.570) 11.650 2.920 ( -4.835 -0.000 -2.150) 5.292 3.054 ( 2.837 0.000 0.303) 2.853 3.145 ( 3.355 0.000 -7.051) 7.808 3.173 ( -10.940 -0.000 -0.797) 10.969 3.308 ( -3.829 -0.000 1.758) 4.213 3.451 ( -0.711 -0.000 4.055) 4.117 3.597 ( -0.637 -0.000 -8.584) 8.608 3.630 ( 11.504 0.000 -2.991) 11.886 3.736 ( 7.641 0.000 -0.979) 7.703 3.833 ( 0.675 0.000 4.053) 4.109 3.890 ( 3.794 0.000 -5.470) 6.656 3.900 ( 4.125 0.000 -1.784) 4.494 4.325 ( -6.661 -0.000 8.858) 11.083 4.345 ( 5.084 0.000 -5.750) 7.675 4.698 ( 1.292 0.000 3.033) 3.296 4.743 ( -1.436 -0.000 0.094) 1.439 4.837 ( -1.811 -0.000 -3.377) 3.832 4.868 ( -0.413 -0.000 3.688) 3.711 4.906 ( -0.394 -0.000 -4.393) 4.411 5.068 ( 2.553 0.000 -8.777) 9.141 5.086 ( -7.648 -0.000 7.686) 10.843 5.201 ( 1.077 0.000 4.667) 4.790 5.320 ( -1.572 -0.000 0.488) 1.646 5.362 ( -1.423 -0.000 -4.412) 4.636 5.812 ( -8.568 -0.000 -1.510) 8.700 5.951 ( -5.960 -0.000 4.267) 7.330 6.130 ( -2.459 -0.000 0.524) 2.515 6.167 ( -10.906 -0.000 4.786) 11.910 6.955 ( -16.236 -0.000 -6.803) 17.603 7.166 ( -16.398 -0.000 0.629) 16.410 7.541 ( -19.027 -0.000 7.922) 20.610 8.033 ( -0.440 -0.000 6.823) 6.837 8.112 ( -4.083 -0.000 -8.902) 9.794 8.260 ( 4.222 0.000 0.469) 4.248 8.479 ( 6.479 0.000 -4.901) 8.124 8.853 ( 4.883 0.000 -7.065) 8.588 9.174 ( 10.764 0.000 10.122) 14.775 9.552 ( 5.013 0.000 -2.223) 5.483 9.657 ( 3.428 0.000 -4.317) 5.513 10.135 ( 4.339 0.000 2.551) 5.033 10.394 ( -7.231 -0.000 9.703) 12.101 10.567 ( -8.461 -0.000 -5.723) 10.215 10.812 ( -7.196 -0.000 -1.864) 7.434 10.816 ( -3.900 -0.000 3.938) 5.543 11.224 ( -3.644 -0.000 -7.733) 8.549 11.471 ( -10.028 -0.000 -5.502) 11.439 11.647 ( 0.611 0.000 3.866) 3.914 11.848 ( -8.543 -0.000 5.996) 10.438 14.911 ( 0.060 0.000 0.769) 0.772 15.177 ( 2.135 0.000 -1.495) 2.607 20.307 ( 2.346 0.000 1.832) 2.977 20.731 ( -2.438 -0.000 -3.925) 4.621 21.002 ( 6.451 0.000 0.858) 6.508 21.246 ( 4.036 0.000 1.108) 4.186 21.945 ( 13.457 0.000 -8.480) 15.906 22.051 ( 3.912 0.000 10.927) 11.607 22.445 ( 9.090 0.000 -3.970) 9.919 22.638 ( -2.628 -0.000 1.928) 3.260 25.184 ( -12.192 -0.000 0.567) 12.205 25.390 ( -11.637 -0.000 -0.374) 11.643 28.179 ( -1.742 -0.000 -0.443) 1.797 28.311 ( -1.035 -0.000 -0.038) 1.035 ======================= Grid point 205 (91/95) ======================= q-point: (-0.56 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 8.388 10.444 0.997) 13.432 1.862 ( 0.159 -0.542 2.643) 2.702 2.108 ( 2.072 4.175 -3.751) 5.983 2.169 ( 1.157 -2.845 -2.751) 4.124 2.271 ( 2.318 1.395 -8.331) 8.759 2.399 ( -6.661 2.607 -3.911) 8.152 2.509 ( -0.371 2.252 2.348) 3.274 2.599 ( -15.035 -1.841 5.949) 16.273 2.682 ( 6.154 9.119 3.941) 11.686 2.891 ( 4.554 -8.442 0.216) 9.594 2.962 ( -3.739 0.964 6.748) 7.775 3.042 ( 6.234 -4.462 7.523) 10.741 3.179 ( 4.902 -6.276 -4.046) 8.933 3.205 ( 1.954 -4.620 -2.105) 5.440 3.340 ( 5.609 -0.914 -0.506) 5.706 3.505 ( 7.740 4.230 5.483) 10.386 3.611 ( 1.950 -0.079 -7.165) 7.426 3.749 ( -3.009 3.211 -5.005) 6.665 3.872 ( 8.302 0.910 0.558) 8.370 3.904 ( 11.645 3.654 -0.729) 12.226 3.929 ( 1.235 0.122 -2.828) 3.089 4.021 ( 5.349 -2.151 -0.068) 5.766 4.212 ( -2.458 4.530 3.934) 6.484 4.395 ( 1.735 2.651 -3.073) 4.413 4.634 ( -2.439 5.804 0.213) 6.299 4.697 ( -4.100 0.604 0.581) 4.185 4.805 ( -1.670 0.253 -2.611) 3.110 4.867 ( 0.295 -2.939 2.589) 3.928 4.911 ( 0.870 1.928 0.415) 2.156 5.025 ( -1.266 -5.069 3.945) 6.547 5.108 ( 2.896 1.032 -6.763) 7.430 5.221 ( -0.879 3.638 0.919) 3.854 5.243 ( -2.134 1.720 1.130) 2.965 5.363 ( -3.680 -5.628 0.755) 6.767 5.657 ( -9.169 -3.688 -5.383) 11.254 5.824 ( -11.092 -5.062 6.904) 14.011 5.929 ( -13.700 -2.795 3.051) 14.311 6.087 ( -1.700 -1.462 -2.593) 3.428 6.632 ( -20.148 -0.536 2.006) 20.255 6.887 ( -14.053 0.739 2.991) 14.387 7.298 ( -4.877 -2.261 -2.973) 6.143 7.831 ( -9.455 -0.127 -2.541) 9.792 8.161 ( 2.391 -0.427 7.078) 7.483 8.424 ( 7.103 1.734 2.744) 7.810 8.521 ( -0.023 -3.677 -3.141) 4.836 8.975 ( 4.880 0.401 -18.017) 18.671 9.347 ( 7.373 0.214 7.872) 10.788 9.487 ( -5.245 1.143 2.158) 5.786 9.825 ( 8.788 -0.448 -1.544) 8.934 10.129 ( -3.691 4.030 0.847) 5.530 10.298 ( -3.948 -1.699 3.637) 5.630 10.437 ( -0.466 1.803 1.859) 2.631 10.654 ( -8.621 1.472 2.688) 9.150 10.789 ( -3.753 -6.135 -0.026) 7.192 11.133 ( -4.463 0.874 -7.021) 8.365 11.333 ( -4.274 -0.141 -5.202) 6.734 11.601 ( -7.559 -1.354 3.944) 8.632 11.680 ( -8.827 -1.285 3.451) 9.565 14.940 ( 2.679 -0.225 3.944) 4.773 15.193 ( 0.151 0.746 -4.285) 4.352 20.360 ( 3.205 0.558 3.831) 5.026 20.659 ( -3.891 1.019 -7.268) 8.307 21.123 ( 6.599 1.792 3.520) 7.691 21.305 ( 2.964 2.134 -0.396) 3.674 22.035 ( 10.641 13.636 -1.541) 17.365 22.260 ( 5.051 -7.135 3.869) 9.560 22.637 ( 9.007 -4.507 1.090) 10.130 22.668 ( 4.844 -4.844 -2.764) 7.387 24.943 ( -13.710 -1.423 0.301) 13.787 25.135 ( -15.054 0.139 -0.203) 15.056 28.162 ( -0.142 -0.193 -1.729) 1.745 28.290 ( -1.631 -0.637 1.159) 2.100 ======================= Grid point 206 (92/95) ======================= q-point: (-0.44 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 3.204 13.550 6.780) 15.487 1.807 ( -4.930 7.442 6.021) 10.768 1.867 ( -9.326 13.322 -4.500) 16.873 2.008 ( -8.673 12.060 -12.805) 19.612 2.324 ( 1.109 -7.504 -0.406) 7.596 2.367 ( -4.045 -6.376 1.029) 7.620 2.543 ( 5.870 -2.078 -6.168) 8.765 2.573 ( 8.467 -3.274 3.115) 9.597 2.729 ( 7.321 4.956 2.222) 9.116 2.900 ( -3.028 3.971 4.679) 6.843 3.059 ( 6.157 -0.579 4.654) 7.740 3.141 ( 0.450 -0.530 -2.681) 2.770 3.306 ( 2.819 -8.652 0.836) 9.138 3.313 ( 0.438 -8.961 -0.819) 9.009 3.472 ( 2.569 6.271 -0.986) 6.848 3.528 ( 1.795 6.760 1.663) 7.189 3.652 ( 2.358 -1.178 -3.845) 4.662 3.714 ( 5.047 1.181 2.530) 5.768 3.869 ( -2.112 2.445 -3.426) 4.710 3.940 ( 0.277 4.007 -0.705) 4.078 4.063 ( 4.894 3.510 1.772) 6.278 4.087 ( 4.445 5.036 2.201) 7.068 4.226 ( 6.711 1.893 -1.859) 7.217 4.355 ( -1.185 4.682 -0.952) 4.922 4.566 ( -0.697 0.738 0.861) 1.331 4.620 ( -3.798 -1.780 0.139) 4.196 4.806 ( -0.081 -4.473 -5.896) 7.401 4.865 ( -3.039 -2.843 2.549) 4.880 4.937 ( 3.017 2.045 6.140) 7.140 5.069 ( -1.006 -2.494 -2.989) 4.021 5.138 ( -0.019 0.268 1.441) 1.465 5.159 ( -1.060 1.325 -4.168) 4.501 5.211 ( 1.639 3.741 -0.282) 4.093 5.284 ( -5.706 -4.457 2.901) 7.801 5.597 ( -5.296 -6.505 -1.776) 8.574 5.677 ( -8.897 -7.440 1.594) 11.707 5.807 ( -4.018 -7.641 -6.751) 10.960 6.071 ( -6.922 -4.526 8.108) 11.582 6.319 ( -9.416 -3.396 -1.705) 10.154 6.615 ( -14.118 1.984 8.502) 16.599 7.379 ( 8.325 -4.092 -9.374) 13.188 7.697 ( -6.739 -1.835 -0.035) 6.984 8.274 ( 8.490 -0.981 9.754) 12.969 8.417 ( -0.410 1.687 -1.522) 2.309 8.601 ( -1.019 -4.312 6.742) 8.067 8.876 ( -11.718 0.571 -22.348) 25.241 9.398 ( 0.826 3.074 3.482) 4.718 9.488 ( 4.487 0.571 3.521) 5.732 9.956 ( 3.487 1.106 -1.651) 4.013 10.013 ( -0.717 2.863 1.326) 3.236 10.262 ( -1.130 1.858 1.261) 2.513 10.428 ( -5.266 0.830 2.259) 5.790 10.563 ( 3.759 -0.827 6.972) 7.964 10.772 ( -4.999 -5.508 -2.323) 7.793 11.081 ( 1.327 0.469 -6.213) 6.370 11.271 ( -3.364 0.759 -2.295) 4.142 11.467 ( -7.835 -6.663 -1.032) 10.337 11.552 ( -7.078 -0.879 4.742) 8.565 15.012 ( 4.306 0.211 6.161) 7.519 15.161 ( -2.032 1.212 -6.292) 6.722 20.416 ( 3.465 1.460 5.352) 6.541 20.565 ( -3.954 1.905 -7.475) 8.668 21.197 ( 4.638 5.170 4.364) 8.203 21.298 ( 0.035 5.162 -2.418) 5.700 22.120 ( 11.107 10.044 -3.600) 15.402 22.319 ( -0.490 1.989 5.356) 5.735 22.855 ( 7.001 -9.030 4.461) 12.266 22.888 ( 5.981 -14.156 -5.593) 16.354 24.742 ( -8.530 -1.468 0.861) 8.698 24.859 ( -13.185 0.521 -0.997) 13.233 28.174 ( 1.497 -0.027 -2.878) 3.244 28.262 ( -2.573 -1.170 2.336) 3.667 ======================= Grid point 207 (93/95) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -1.426 13.962 -8.642) 16.482 1.518 ( 1.426 13.962 8.642) 16.482 1.755 ( -3.889 14.079 -16.201) 21.813 1.755 ( 3.889 14.079 16.201) 21.813 2.393 ( -0.201 -5.428 -0.487) 5.454 2.393 ( 0.201 -5.428 0.487) 5.454 2.675 ( 3.919 3.703 -6.538) 8.474 2.675 ( -3.919 3.703 6.538) 8.474 2.809 ( -0.648 -1.500 -3.655) 4.004 2.809 ( 0.648 -1.500 3.655) 4.004 3.093 ( -1.732 6.775 -2.397) 7.392 3.093 ( 1.732 6.775 2.397) 7.392 3.346 ( 0.661 10.351 -2.605) 10.694 3.346 ( -0.661 10.351 2.605) 10.694 3.470 ( 2.883 -11.121 -2.825) 11.830 3.470 ( -2.883 -11.121 2.825) 11.830 3.790 ( -4.618 -4.580 -2.156) 6.852 3.790 ( 4.618 -4.580 2.156) 6.852 3.813 ( -4.368 7.489 -2.400) 8.996 3.813 ( 4.368 7.489 2.400) 8.996 4.087 ( -1.727 2.939 -1.418) 3.692 4.087 ( 1.727 2.939 1.418) 3.692 4.294 ( 1.528 2.211 -1.918) 3.302 4.294 ( -1.528 2.211 1.918) 3.302 4.598 ( -2.058 -3.575 -2.068) 4.615 4.598 ( 2.058 -3.575 2.068) 4.615 4.857 ( 1.002 -4.208 -4.451) 6.206 4.857 ( -1.002 -4.208 4.451) 6.206 5.004 ( -5.516 0.189 -6.213) 8.310 5.004 ( 5.516 0.189 6.213) 8.310 5.122 ( 1.211 -0.463 -6.622) 6.748 5.122 ( -1.211 -0.463 6.622) 6.748 5.284 ( 1.094 -2.623 -2.611) 3.860 5.284 ( -1.094 -2.623 2.611) 3.860 5.595 ( 4.723 -3.690 -3.986) 7.198 5.595 ( -4.723 -3.690 3.986) 7.198 5.970 ( 9.209 -11.171 -15.399) 21.137 5.970 ( -9.209 -11.171 15.399) 21.137 6.370 ( 8.593 0.812 -10.730) 13.771 6.370 ( -8.593 0.812 10.730) 13.771 7.593 ( 7.748 -4.855 -4.587) 10.229 7.593 ( -7.748 -4.855 4.587) 10.229 8.427 ( -0.470 -0.564 -4.369) 4.430 8.427 ( 0.470 -0.564 4.369) 4.430 8.628 ( -7.732 -0.857 -19.541) 21.033 8.628 ( 7.732 -0.857 19.541) 21.033 9.459 ( -5.863 1.799 -3.094) 6.868 9.459 ( 5.863 1.799 3.094) 6.868 9.962 ( -4.221 4.067 -8.019) 9.933 9.962 ( 4.221 4.067 8.019) 9.933 10.308 ( -7.356 0.199 -0.331) 7.366 10.308 ( 7.356 0.199 0.331) 7.366 10.686 ( -6.750 -0.075 -3.373) 7.546 10.686 ( 6.750 -0.075 3.373) 7.546 11.173 ( -4.447 -2.223 -0.841) 5.043 11.173 ( 4.447 -2.223 0.841) 5.043 11.481 ( 2.354 -4.946 -4.395) 7.023 11.481 ( -2.354 -4.946 4.395) 7.023 15.089 ( -3.271 1.219 -7.314) 8.104 15.089 ( 3.271 1.219 7.314) 8.104 20.467 ( -3.588 2.272 -6.119) 7.448 20.467 ( 3.588 2.272 6.119) 7.448 21.206 ( -2.159 6.881 -5.158) 8.866 21.206 ( 2.159 6.881 5.158) 8.866 22.217 ( 5.474 6.132 -6.527) 10.496 22.217 ( -5.474 6.132 6.527) 10.496 23.073 ( -2.397 -14.970 -5.997) 16.303 23.073 ( 2.397 -14.970 5.997) 16.303 24.689 ( -1.732 0.236 -4.021) 4.384 24.689 ( 1.732 0.236 4.021) 4.384 28.218 ( 3.209 -0.691 -3.249) 4.619 28.218 ( -3.209 -0.691 3.249) 4.619 ======================= Grid point 215 (94/95) ======================= q-point: (-0.56 0.44 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -3.160 -0.000 -0.377) 3.182 1.857 ( 3.969 0.000 12.537) 13.150 2.042 ( -7.532 -0.000 -9.845) 12.396 2.137 ( -6.067 -0.000 -13.509) 14.809 2.202 ( -1.371 -0.000 -6.202) 6.352 2.323 ( -8.297 -0.000 14.125) 16.381 2.430 ( 10.828 0.000 -9.895) 14.669 2.545 ( 1.816 0.000 7.247) 7.471 2.861 ( 3.228 0.000 -3.358) 4.658 2.926 ( 1.009 0.000 6.367) 6.446 3.008 ( 9.323 0.000 7.472) 11.948 3.125 ( 3.230 0.000 1.292) 3.479 3.198 ( 0.601 0.000 -3.266) 3.321 3.218 ( 1.468 0.000 2.563) 2.954 3.492 ( 10.248 0.000 1.664) 10.383 3.624 ( -0.396 -0.000 -5.141) 5.156 3.676 ( -4.313 -0.000 -5.782) 7.213 3.721 ( 8.954 0.000 6.798) 11.242 3.889 ( -3.267 -0.000 -6.443) 7.224 3.986 ( 0.904 0.000 1.513) 1.763 4.122 ( 6.619 0.000 4.933) 8.255 4.127 ( 6.779 0.000 -4.644) 8.217 4.259 ( 5.645 0.000 -0.939) 5.723 4.411 ( -1.572 -0.000 -2.131) 2.648 4.587 ( -4.688 -0.000 3.353) 5.763 4.596 ( -4.176 -0.000 -1.603) 4.473 4.783 ( -3.083 -0.000 -0.590) 3.139 4.804 ( -2.118 -0.000 1.095) 2.384 5.000 ( 3.438 0.000 0.579) 3.486 5.002 ( 2.290 0.000 3.128) 3.876 5.160 ( -4.935 -0.000 3.883) 6.280 5.166 ( 4.697 0.000 -7.923) 9.211 5.252 ( -6.577 -0.000 0.888) 6.637 5.304 ( 2.477 0.000 2.997) 3.888 5.451 ( -4.663 -0.000 -6.541) 8.033 5.582 ( -11.057 -0.000 5.005) 12.137 5.724 ( -5.481 -0.000 -6.748) 8.694 6.026 ( -11.663 -0.000 9.648) 15.136 6.287 ( -6.000 -0.000 -4.331) 7.400 6.640 ( -14.059 -0.000 8.538) 16.449 7.337 ( 8.373 0.000 -9.746) 12.849 7.678 ( -7.865 -0.000 0.341) 7.872 8.263 ( 8.455 0.000 11.196) 14.029 8.445 ( -1.899 -0.000 -6.385) 6.662 8.547 ( 1.771 0.000 10.868) 11.011 8.883 ( -11.791 -0.000 -22.614) 25.503 9.427 ( -0.392 -0.000 2.054) 2.091 9.494 ( 5.142 0.000 3.974) 6.499 9.966 ( 7.000 0.000 -2.686) 7.498 10.060 ( -3.561 -0.000 6.087) 7.052 10.269 ( 0.200 0.000 -0.193) 0.278 10.435 ( -6.392 -0.000 0.746) 6.435 10.555 ( 1.973 0.000 6.861) 7.139 10.702 ( -2.657 -0.000 -2.531) 3.670 11.092 ( 0.573 0.000 -7.435) 7.457 11.315 ( 2.252 0.000 -3.658) 4.296 11.357 ( -13.327 -0.000 1.892) 13.461 11.551 ( -7.631 -0.000 4.403) 8.810 15.014 ( 4.583 0.000 6.950) 8.325 15.173 ( -2.233 -0.000 -6.957) 7.307 20.432 ( 3.674 0.000 5.776) 6.845 20.585 ( -3.946 -0.000 -7.942) 8.869 21.255 ( 5.510 0.000 4.226) 6.944 21.353 ( 0.762 0.000 -2.080) 2.216 22.288 ( 5.122 0.000 -5.462) 7.488 22.294 ( 4.930 0.000 6.041) 7.797 22.730 ( 5.241 0.000 -6.110) 8.050 22.748 ( 4.906 0.000 5.772) 7.575 24.727 ( -7.531 -0.000 0.356) 7.540 24.864 ( -13.078 -0.000 -0.306) 13.081 28.173 ( 1.488 0.000 -2.884) 3.245 28.251 ( -2.308 -0.000 2.493) 3.397 ======================= Grid point 217 (95/95) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -0.782 7.602 -4.685) 8.963 1.747 ( 0.782 7.602 4.685) 8.963 2.001 ( -2.476 9.038 -12.824) 15.883 2.001 ( 2.476 9.038 12.824) 15.883 2.270 ( 2.199 -5.532 -4.680) 7.572 2.270 ( -2.199 -5.532 4.680) 7.572 2.594 ( 2.065 -5.482 -8.761) 10.539 2.594 ( -2.065 -5.482 8.761) 10.539 2.884 ( 1.086 4.341 -1.835) 4.837 2.884 ( -1.086 4.341 1.835) 4.837 3.155 ( -0.206 1.026 -5.766) 5.861 3.155 ( 0.206 1.026 5.766) 5.861 3.235 ( 2.238 -7.470 -5.890) 9.773 3.235 ( -2.238 -7.470 5.890) 9.773 3.574 ( -0.996 6.407 -1.818) 6.734 3.574 ( 0.996 6.407 1.818) 6.734 3.707 ( -5.497 -2.530 -0.764) 6.099 3.707 ( 5.497 -2.530 0.764) 6.099 3.929 ( -3.510 2.724 -0.645) 4.490 3.929 ( 3.510 2.724 0.645) 4.490 4.168 ( 0.205 3.394 -4.793) 5.877 4.168 ( -0.205 3.394 4.793) 5.877 4.350 ( -3.235 2.455 -0.225) 4.068 4.350 ( 3.235 2.455 0.225) 4.068 4.552 ( -0.176 -1.064 -1.734) 2.042 4.552 ( 0.176 -1.064 1.734) 2.042 4.775 ( 2.079 -2.815 -3.165) 4.719 4.775 ( -2.079 -2.815 3.165) 4.719 5.030 ( -2.136 1.107 -4.076) 4.733 5.030 ( 2.136 1.107 4.076) 4.733 5.127 ( -1.106 1.112 -3.954) 4.254 5.127 ( 1.106 1.112 3.954) 4.254 5.269 ( 0.712 1.426 -2.083) 2.623 5.269 ( -0.712 1.426 2.083) 2.623 5.490 ( 1.357 -6.099 -1.030) 6.333 5.490 ( -1.357 -6.099 1.030) 6.333 5.779 ( 10.677 -5.884 -16.569) 20.570 5.779 ( -10.677 -5.884 16.569) 20.570 6.392 ( 11.724 0.846 -12.034) 16.821 6.392 ( -11.724 0.846 12.034) 16.821 7.523 ( 9.873 -1.907 -5.961) 11.689 7.523 ( -9.873 -1.907 5.961) 11.689 8.417 ( -2.747 -0.379 -7.260) 7.772 8.417 ( 2.747 -0.379 7.260) 7.772 8.623 ( -9.732 0.111 -20.428) 22.628 8.623 ( 9.732 0.111 20.428) 22.628 9.482 ( -4.585 0.489 -1.769) 4.939 9.482 ( 4.585 0.489 1.769) 4.939 10.037 ( -0.135 2.751 -8.621) 9.051 10.037 ( 0.135 2.751 8.621) 9.051 10.302 ( -5.193 -0.763 -0.254) 5.255 10.302 ( 5.193 -0.763 0.254) 5.255 10.651 ( -4.449 -1.719 -4.538) 6.584 10.651 ( 4.449 -1.719 4.538) 6.584 11.158 ( 7.014 -0.080 -3.630) 7.898 11.158 ( -7.014 -0.080 3.630) 7.898 11.415 ( 5.035 -1.652 -3.472) 6.335 11.415 ( -5.035 -1.652 3.472) 6.335 15.104 ( -4.127 0.352 -7.930) 8.947 15.104 ( 4.127 0.352 7.930) 8.947 20.502 ( -3.792 0.975 -7.097) 8.105 20.502 ( 3.792 0.975 7.097) 8.105 21.317 ( -2.524 3.423 -3.784) 5.693 21.317 ( 2.524 3.423 3.784) 5.693 22.320 ( 1.521 3.676 -5.138) 6.498 22.320 ( -1.521 3.676 5.138) 6.498 22.831 ( 0.536 -7.850 -6.873) 10.448 22.831 ( -0.536 -7.850 6.873) 10.448 24.693 ( -3.322 0.102 -1.381) 3.599 24.693 ( 3.322 0.102 1.381) 3.599 28.209 ( 2.474 -0.227 -3.196) 4.048 28.209 ( -2.474 -0.227 3.196) 4.048 =================== 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 3/23328 10.0 605.153 833.414 740.562 -0.000 27.111 0.000 3/23328 20.0 110.807 129.024 111.694 -0.000 4.273 0.000 3/23328 30.0 44.535 49.430 43.172 -0.000 1.362 0.000 3/23328 40.0 25.046 27.156 24.018 -0.000 0.634 0.000 3/23328 50.0 16.771 17.920 15.965 -0.000 0.362 0.000 3/23328 60.0 12.444 13.146 11.765 -0.000 0.232 0.000 3/23328 70.0 9.857 10.306 9.258 -0.000 0.159 0.000 3/23328 80.0 8.160 8.448 7.617 -0.000 0.114 0.000 3/23328 90.0 6.971 7.149 6.469 -0.000 0.084 0.000 3/23328 100.0 6.094 6.194 5.625 -0.000 0.064 0.000 3/23328 110.0 5.421 5.464 4.981 -0.000 0.049 0.000 3/23328 120.0 4.889 4.891 4.473 -0.000 0.039 0.000 3/23328 130.0 4.457 4.428 4.062 -0.000 0.031 0.000 3/23328 140.0 4.100 4.048 3.724 -0.000 0.024 0.000 3/23328 150.0 3.799 3.729 3.440 -0.000 0.020 0.000 3/23328 160.0 3.542 3.459 3.199 -0.000 0.016 0.000 3/23328 170.0 3.320 3.227 2.991 -0.000 0.013 0.000 3/23328 180.0 3.127 3.026 2.809 -0.000 0.011 0.000 3/23328 190.0 2.956 2.849 2.650 -0.000 0.009 0.000 3/23328 200.0 2.804 2.692 2.508 -0.000 0.007 0.000 3/23328 210.0 2.669 2.553 2.382 -0.000 0.006 0.000 3/23328 220.0 2.546 2.428 2.268 -0.000 0.005 0.000 3/23328 230.0 2.435 2.315 2.165 -0.000 0.004 0.000 3/23328 240.0 2.335 2.213 2.072 -0.000 0.003 0.000 3/23328 250.0 2.242 2.120 1.987 -0.000 0.003 0.000 3/23328 260.0 2.158 2.034 1.908 -0.000 0.002 0.000 3/23328 270.0 2.079 1.956 1.836 -0.000 0.002 0.000 3/23328 280.0 2.007 1.883 1.769 -0.000 0.002 0.000 3/23328 290.0 1.939 1.816 1.708 -0.000 0.001 0.000 3/23328 300.0 1.877 1.754 1.650 -0.000 0.001 0.000 3/23328 310.0 1.818 1.696 1.596 -0.000 0.001 0.000 3/23328 320.0 1.763 1.642 1.546 -0.000 0.001 0.000 3/23328 330.0 1.712 1.591 1.499 -0.000 0.000 0.000 3/23328 340.0 1.663 1.543 1.455 -0.000 0.000 0.000 3/23328 350.0 1.617 1.499 1.413 -0.000 0.000 0.000 3/23328 360.0 1.574 1.456 1.374 -0.000 -0.000 0.000 3/23328 370.0 1.533 1.416 1.337 -0.000 -0.000 0.000 3/23328 380.0 1.494 1.379 1.302 -0.000 -0.000 0.000 3/23328 390.0 1.457 1.343 1.268 -0.000 -0.000 0.000 3/23328 400.0 1.422 1.309 1.237 -0.000 -0.000 0.000 3/23328 410.0 1.389 1.277 1.207 -0.000 -0.000 0.000 3/23328 420.0 1.357 1.246 1.178 -0.000 -0.000 0.000 3/23328 430.0 1.327 1.217 1.151 -0.000 -0.001 0.000 3/23328 440.0 1.298 1.189 1.125 -0.000 -0.001 0.000 3/23328 450.0 1.270 1.163 1.100 -0.000 -0.001 0.000 3/23328 460.0 1.243 1.138 1.076 -0.000 -0.001 0.000 3/23328 470.0 1.218 1.113 1.053 -0.000 -0.001 0.000 3/23328 480.0 1.193 1.090 1.032 -0.000 -0.001 0.000 3/23328 490.0 1.170 1.068 1.011 -0.000 -0.001 0.000 3/23328 500.0 1.147 1.046 0.991 -0.000 -0.001 0.000 3/23328 510.0 1.126 1.026 0.971 -0.000 -0.001 0.000 3/23328 520.0 1.105 1.006 0.953 -0.000 -0.001 0.000 3/23328 530.0 1.084 0.987 0.935 -0.000 -0.001 0.000 3/23328 540.0 1.065 0.969 0.918 -0.000 -0.001 0.000 3/23328 550.0 1.046 0.951 0.901 -0.000 -0.001 0.000 3/23328 560.0 1.028 0.934 0.885 -0.000 -0.001 0.000 3/23328 570.0 1.011 0.918 0.870 -0.000 -0.001 0.000 3/23328 580.0 0.994 0.902 0.855 -0.000 -0.001 0.000 3/23328 590.0 0.977 0.887 0.840 -0.000 -0.001 0.000 3/23328 600.0 0.962 0.872 0.826 -0.000 -0.001 0.000 3/23328 610.0 0.946 0.858 0.813 -0.000 -0.001 0.000 3/23328 620.0 0.931 0.844 0.800 -0.000 -0.001 0.000 3/23328 630.0 0.917 0.830 0.787 -0.000 -0.001 0.000 3/23328 640.0 0.903 0.817 0.775 -0.000 -0.001 0.000 3/23328 650.0 0.890 0.805 0.763 -0.000 -0.001 0.000 3/23328 660.0 0.876 0.793 0.752 -0.000 -0.001 0.000 3/23328 670.0 0.864 0.781 0.740 -0.000 -0.001 0.000 3/23328 680.0 0.851 0.769 0.730 -0.000 -0.001 0.000 3/23328 690.0 0.839 0.758 0.719 -0.000 -0.001 0.000 3/23328 700.0 0.827 0.747 0.709 -0.000 -0.001 0.000 3/23328 710.0 0.816 0.737 0.699 -0.000 -0.001 0.000 3/23328 720.0 0.805 0.727 0.689 -0.000 -0.001 0.000 3/23328 730.0 0.794 0.717 0.680 -0.000 -0.001 0.000 3/23328 740.0 0.784 0.707 0.671 -0.000 -0.001 0.000 3/23328 750.0 0.774 0.698 0.662 -0.000 -0.001 0.000 3/23328 760.0 0.764 0.689 0.653 -0.000 -0.001 0.000 3/23328 770.0 0.754 0.680 0.645 -0.000 -0.001 0.000 3/23328 780.0 0.744 0.671 0.637 -0.000 -0.001 0.000 3/23328 790.0 0.735 0.662 0.629 -0.000 -0.001 0.000 3/23328 800.0 0.726 0.654 0.621 -0.000 -0.001 0.000 3/23328 810.0 0.717 0.646 0.613 -0.000 -0.001 0.000 3/23328 820.0 0.709 0.638 0.606 -0.000 -0.001 0.000 3/23328 830.0 0.700 0.631 0.598 -0.000 -0.001 0.000 3/23328 840.0 0.692 0.623 0.591 -0.000 -0.001 0.000 3/23328 850.0 0.684 0.616 0.584 -0.000 -0.001 0.000 3/23328 860.0 0.676 0.609 0.578 -0.000 -0.001 0.000 3/23328 870.0 0.669 0.602 0.571 -0.000 -0.001 0.000 3/23328 880.0 0.661 0.595 0.565 -0.000 -0.001 0.000 3/23328 890.0 0.654 0.588 0.558 -0.000 -0.001 0.000 3/23328 900.0 0.647 0.582 0.552 -0.000 -0.001 0.000 3/23328 910.0 0.640 0.575 0.546 -0.000 -0.001 0.000 3/23328 920.0 0.633 0.569 0.540 -0.000 -0.001 0.000 3/23328 930.0 0.626 0.563 0.534 -0.000 -0.001 0.000 3/23328 940.0 0.620 0.557 0.529 -0.000 -0.001 0.000 3/23328 950.0 0.613 0.551 0.523 -0.000 -0.001 0.000 3/23328 960.0 0.607 0.545 0.518 -0.000 -0.001 0.000 3/23328 970.0 0.601 0.540 0.512 -0.000 -0.001 0.000 3/23328 980.0 0.595 0.534 0.507 -0.000 -0.001 0.000 3/23328 990.0 0.589 0.529 0.502 -0.000 -0.001 0.000 3/23328 1000.0 0.583 0.523 0.497 -0.000 -0.001 0.000 3/23328 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:31:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|