----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:55:49]------------------------- 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 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.492135532186600 0.000000000000000 0.000000000000000 b 0.000000000000000 8.627456269999998 0.000000000000000 c -3.770800203062657 0.000000000000000 7.749667069726064 Atomic positions (fractional): *1 Ba 0.31134679064916 0.86828054582775 0.68920365167905 137.327 2 Ba 0.31134679064916 0.63171945417225 0.18920365167905 137.327 3 Ba 0.68865320935084 0.13171945417225 0.31079634832095 137.327 4 Ba 0.68865320935084 0.36828054582775 0.81079634832095 137.327 *5 Li 0.88602029201615 0.92430997639751 0.79483853098189 6.941 6 Li 0.11397970798385 0.42430997639751 0.70516146901811 6.941 7 Li 0.88602029201615 0.57569002360249 0.29483853098189 6.941 8 Li 0.11397970798385 0.07569002360249 0.20516146901811 6.941 *9 B 0.22948702268812 0.15830748618775 0.92016798919668 10.811 10 B 0.22948702268812 0.34169251381225 0.42016798919668 10.811 11 B 0.77051297731188 0.65830748618775 0.57983201080332 10.811 12 B 0.77051297731188 0.84169251381225 0.07983201080332 10.811 *13 S 0.61509403466114 0.82957588225625 0.50967958308147 32.065 *14 S 0.01284658743093 0.15468128897406 0.70928122583229 32.065 15 S 0.98715341256907 0.84531871102594 0.29071877416772 32.065 16 S 0.38490596533886 0.17042411774375 0.49032041691853 32.065 17 S 0.98715341256907 0.65468128897406 0.79071877416771 32.065 *18 S 0.71228679344492 0.01858513695465 0.95298839004315 32.065 19 S 0.28771320655508 0.98141486304535 0.04701160995685 32.065 20 S 0.71228679344492 0.48141486304535 0.45298839004315 32.065 21 S 0.61509403466114 0.67042411774375 0.00967958308147 32.065 22 S 0.28771320655508 0.51858513695465 0.54701160995685 32.065 23 S 0.38490596533886 0.32957588225625 0.99032041691853 32.065 24 S 0.01284658743093 0.34531871102594 0.20928122583229 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.492135532186600 0.000000000000000 0.000000000000000 b 0.000000000000000 8.627456269999998 0.000000000000000 c -3.770800203062657 0.000000000000000 7.749667069726064 Atomic positions (fractional): *1 Ba 0.31134679064916 0.86828054582775 0.68920365167905 137.327 > 1 2 Ba 0.31134679064916 0.63171945417225 0.18920365167905 137.327 > 2 3 Ba 0.68865320935084 0.13171945417225 0.31079634832095 137.327 > 3 4 Ba 0.68865320935084 0.36828054582775 0.81079634832095 137.327 > 4 *5 Li 0.88602029201615 0.92430997639751 0.79483853098189 6.941 > 5 6 Li 0.11397970798385 0.42430997639751 0.70516146901811 6.941 > 6 7 Li 0.88602029201615 0.57569002360249 0.29483853098189 6.941 > 7 8 Li 0.11397970798385 0.07569002360249 0.20516146901811 6.941 > 8 *9 B 0.22948702268812 0.15830748618775 0.92016798919668 10.811 > 9 10 B 0.22948702268812 0.34169251381225 0.42016798919668 10.811 > 10 11 B 0.77051297731188 0.65830748618775 0.57983201080332 10.811 > 11 12 B 0.77051297731188 0.84169251381225 0.07983201080332 10.811 > 12 *13 S 0.61509403466114 0.82957588225625 0.50967958308147 32.065 > 13 *14 S 0.01284658743093 0.15468128897406 0.70928122583229 32.065 > 14 15 S 0.98715341256907 0.84531871102594 0.29071877416772 32.065 > 15 16 S 0.38490596533886 0.17042411774375 0.49032041691853 32.065 > 16 17 S 0.98715341256907 0.65468128897406 0.79071877416771 32.065 > 17 *18 S 0.71228679344492 0.01858513695465 0.95298839004315 32.065 > 18 19 S 0.28771320655508 0.98141486304535 0.04701160995685 32.065 > 19 20 S 0.71228679344492 0.48141486304535 0.45298839004315 32.065 > 20 21 S 0.61509403466114 0.67042411774375 0.00967958308147 32.065 > 21 22 S 0.28771320655508 0.51858513695465 0.54701160995685 32.065 > 22 23 S 0.38490596533886 0.32957588225625 0.99032041691853 32.065 > 23 24 S 0.01284658743093 0.34531871102594 0.20928122583229 32.065 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.984271064373200 0.000000000000000 0.000000000000000 b 0.000000000000000 8.627456269999998 0.000000000000000 c -7.541600406125314 0.000000000000000 15.499334139452127 Atomic positions (fractional): *1 Ba 0.15567339532458 0.86828054582775 0.34460182583953 137.327 > 1 2 Ba 0.65567339532458 0.86828054582775 0.34460182583953 137.327 > 1 3 Ba 0.15567339532458 0.86828054582775 0.84460182583953 137.327 > 1 4 Ba 0.65567339532458 0.86828054582775 0.84460182583953 137.327 > 1 5 Ba 0.15567339532458 0.63171945417225 0.09460182583953 137.327 > 2 6 Ba 0.65567339532458 0.63171945417225 0.09460182583953 137.327 > 2 7 Ba 0.15567339532458 0.63171945417225 0.59460182583953 137.327 > 2 8 Ba 0.65567339532458 0.63171945417225 0.59460182583953 137.327 > 2 9 Ba 0.34432660467542 0.13171945417225 0.15539817416047 137.327 > 3 10 Ba 0.84432660467542 0.13171945417225 0.15539817416047 137.327 > 3 11 Ba 0.34432660467542 0.13171945417225 0.65539817416047 137.327 > 3 12 Ba 0.84432660467542 0.13171945417225 0.65539817416047 137.327 > 3 13 Ba 0.34432660467542 0.36828054582775 0.40539817416047 137.327 > 4 14 Ba 0.84432660467542 0.36828054582775 0.40539817416047 137.327 > 4 15 Ba 0.34432660467542 0.36828054582775 0.90539817416047 137.327 > 4 16 Ba 0.84432660467542 0.36828054582775 0.90539817416047 137.327 > 4 *17 Li 0.44301014600807 0.92430997639751 0.39741926549095 6.941 > 5 18 Li 0.94301014600807 0.92430997639751 0.39741926549095 6.941 > 5 19 Li 0.44301014600807 0.92430997639751 0.89741926549095 6.941 > 5 20 Li 0.94301014600807 0.92430997639751 0.89741926549095 6.941 > 5 21 Li 0.05698985399193 0.42430997639751 0.35258073450905 6.941 > 6 22 Li 0.55698985399193 0.42430997639751 0.35258073450905 6.941 > 6 23 Li 0.05698985399193 0.42430997639751 0.85258073450905 6.941 > 6 24 Li 0.55698985399193 0.42430997639751 0.85258073450905 6.941 > 6 25 Li 0.44301014600807 0.57569002360249 0.14741926549095 6.941 > 7 26 Li 0.94301014600807 0.57569002360249 0.14741926549095 6.941 > 7 27 Li 0.44301014600807 0.57569002360249 0.64741926549095 6.941 > 7 28 Li 0.94301014600807 0.57569002360249 0.64741926549095 6.941 > 7 29 Li 0.05698985399193 0.07569002360249 0.10258073450905 6.941 > 8 30 Li 0.55698985399193 0.07569002360249 0.10258073450905 6.941 > 8 31 Li 0.05698985399193 0.07569002360249 0.60258073450905 6.941 > 8 32 Li 0.55698985399193 0.07569002360249 0.60258073450905 6.941 > 8 *33 B 0.11474351134406 0.15830748618775 0.46008399459834 10.811 > 9 34 B 0.61474351134406 0.15830748618775 0.46008399459834 10.811 > 9 35 B 0.11474351134406 0.15830748618775 0.96008399459834 10.811 > 9 36 B 0.61474351134406 0.15830748618775 0.96008399459834 10.811 > 9 37 B 0.11474351134406 0.34169251381225 0.21008399459834 10.811 > 10 38 B 0.61474351134406 0.34169251381225 0.21008399459834 10.811 > 10 39 B 0.11474351134406 0.34169251381225 0.71008399459834 10.811 > 10 40 B 0.61474351134406 0.34169251381225 0.71008399459834 10.811 > 10 41 B 0.38525648865594 0.65830748618775 0.28991600540166 10.811 > 11 42 B 0.88525648865594 0.65830748618775 0.28991600540166 10.811 > 11 43 B 0.38525648865594 0.65830748618775 0.78991600540166 10.811 > 11 44 B 0.88525648865594 0.65830748618775 0.78991600540166 10.811 > 11 45 B 0.38525648865594 0.84169251381225 0.03991600540166 10.811 > 12 46 B 0.88525648865594 0.84169251381225 0.03991600540166 10.811 > 12 47 B 0.38525648865594 0.84169251381225 0.53991600540166 10.811 > 12 48 B 0.88525648865594 0.84169251381225 0.53991600540166 10.811 > 12 *49 S 0.30754701733057 0.82957588225625 0.25483979154073 32.065 > 13 50 S 0.80754701733057 0.82957588225625 0.25483979154073 32.065 > 13 51 S 0.30754701733057 0.82957588225625 0.75483979154073 32.065 > 13 52 S 0.80754701733057 0.82957588225625 0.75483979154073 32.065 > 13 *53 S 0.00642329371547 0.15468128897406 0.35464061291614 32.065 > 14 54 S 0.50642329371547 0.15468128897406 0.35464061291614 32.065 > 14 55 S 0.00642329371547 0.15468128897406 0.85464061291614 32.065 > 14 56 S 0.50642329371547 0.15468128897406 0.85464061291614 32.065 > 14 57 S 0.49357670628453 0.84531871102594 0.14535938708386 32.065 > 15 58 S 0.99357670628453 0.84531871102594 0.14535938708386 32.065 > 15 59 S 0.49357670628453 0.84531871102594 0.64535938708386 32.065 > 15 60 S 0.99357670628453 0.84531871102594 0.64535938708386 32.065 > 15 61 S 0.19245298266943 0.17042411774375 0.24516020845927 32.065 > 16 62 S 0.69245298266943 0.17042411774375 0.24516020845927 32.065 > 16 63 S 0.19245298266943 0.17042411774375 0.74516020845927 32.065 > 16 64 S 0.69245298266943 0.17042411774375 0.74516020845927 32.065 > 16 65 S 0.49357670628453 0.65468128897406 0.39535938708386 32.065 > 17 66 S 0.99357670628453 0.65468128897406 0.39535938708386 32.065 > 17 67 S 0.49357670628453 0.65468128897406 0.89535938708386 32.065 > 17 68 S 0.99357670628453 0.65468128897406 0.89535938708386 32.065 > 17 *69 S 0.35614339672246 0.01858513695465 0.47649419502158 32.065 > 18 70 S 0.85614339672246 0.01858513695465 0.47649419502158 32.065 > 18 71 S 0.35614339672246 0.01858513695465 0.97649419502158 32.065 > 18 72 S 0.85614339672246 0.01858513695465 0.97649419502158 32.065 > 18 73 S 0.14385660327754 0.98141486304535 0.02350580497842 32.065 > 19 74 S 0.64385660327754 0.98141486304535 0.02350580497842 32.065 > 19 75 S 0.14385660327754 0.98141486304535 0.52350580497842 32.065 > 19 76 S 0.64385660327754 0.98141486304535 0.52350580497842 32.065 > 19 77 S 0.35614339672246 0.48141486304535 0.22649419502158 32.065 > 20 78 S 0.85614339672246 0.48141486304535 0.22649419502158 32.065 > 20 79 S 0.35614339672246 0.48141486304535 0.72649419502158 32.065 > 20 80 S 0.85614339672246 0.48141486304535 0.72649419502158 32.065 > 20 81 S 0.30754701733057 0.67042411774375 0.00483979154073 32.065 > 21 82 S 0.80754701733057 0.67042411774375 0.00483979154073 32.065 > 21 83 S 0.30754701733057 0.67042411774375 0.50483979154073 32.065 > 21 84 S 0.80754701733057 0.67042411774375 0.50483979154073 32.065 > 21 85 S 0.14385660327754 0.51858513695465 0.27350580497842 32.065 > 22 86 S 0.64385660327754 0.51858513695465 0.27350580497842 32.065 > 22 87 S 0.14385660327754 0.51858513695465 0.77350580497842 32.065 > 22 88 S 0.64385660327754 0.51858513695465 0.77350580497842 32.065 > 22 89 S 0.19245298266943 0.32957588225625 0.49516020845927 32.065 > 23 90 S 0.69245298266943 0.32957588225625 0.49516020845927 32.065 > 23 91 S 0.19245298266943 0.32957588225625 0.99516020845927 32.065 > 23 92 S 0.69245298266943 0.32957588225625 0.99516020845927 32.065 > 23 93 S 0.00642329371547 0.34531871102594 0.10464061291614 32.065 > 24 94 S 0.50642329371547 0.34531871102594 0.10464061291614 32.065 > 24 95 S 0.00642329371547 0.34531871102594 0.60464061291614 32.065 > 24 96 S 0.50642329371547 0.34531871102594 0.60464061291614 32.065 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5996764 0.0000000 0.4730398 0.0000000 5.2555773 0.0000000 0.4730421 0.0000000 5.1720490 -------------------------- Born effective charges -------------------------- 1 Ba 2.6632947 -0.0739032 0.0321703 -0.1735642 2.7833666 0.2491311 0.1349773 0.3326205 2.9744554 2 Ba 2.6632947 0.0739032 0.0321703 0.1735642 2.7833666 -0.2491311 0.1349773 -0.3326205 2.9744554 3 Ba 2.6632947 -0.0739032 0.0321703 -0.1735642 2.7833666 0.2491311 0.1349773 0.3326205 2.9744554 4 Ba 2.6632947 0.0739032 0.0321703 0.1735642 2.7833666 -0.2491311 0.1349773 -0.3326205 2.9744554 5 Li 1.0545270 0.1323649 0.0583964 0.2073897 1.0410779 0.2550334 -0.0132341 0.3306573 0.9951835 6 Li 1.0545270 -0.1323649 0.0583964 -0.2073897 1.0410779 -0.2550334 -0.0132341 -0.3306573 0.9951835 7 Li 1.0545270 -0.1323649 0.0583964 -0.2073897 1.0410779 -0.2550334 -0.0132341 -0.3306573 0.9951835 8 Li 1.0545270 0.1323649 0.0583964 0.2073897 1.0410779 0.2550334 -0.0132341 0.3306573 0.9951835 9 B 0.6305008 0.8367242 1.1365841 0.7853744 2.1860292 -0.4126568 0.9962934 -0.3180925 1.9068359 10 B 0.6305008 -0.8367242 1.1365841 -0.7853744 2.1860292 0.4126568 0.9962934 0.3180925 1.9068359 11 B 0.6305008 -0.8367242 1.1365841 -0.7853744 2.1860292 0.4126568 0.9962934 0.3180925 1.9068359 12 B 0.6305008 0.8367242 1.1365841 0.7853744 2.1860292 -0.4126568 0.9962934 -0.3180925 1.9068359 13 S -1.5505959 0.4595982 -0.3215006 0.4365277 -2.2368372 0.2566891 -0.3276047 0.1501014 -1.6331463 14 S -1.5587227 0.1043613 -0.7919175 0.0438421 -1.4511663 0.0358093 -0.6713143 -0.0290749 -2.3804994 15 S -1.5587227 0.1043613 -0.7919175 0.0438421 -1.4511663 0.0358093 -0.6713143 -0.0290749 -2.3804994 16 S -1.5505959 0.4595982 -0.3215006 0.4365277 -2.2368372 0.2566891 -0.3276047 0.1501014 -1.6331463 17 S -1.5587227 -0.1043613 -0.7919175 -0.0438421 -1.4511663 -0.0358093 -0.6713143 0.0290749 -2.3804994 18 S -1.2390040 -0.2032634 -0.1137327 -0.1648950 -2.3224702 0.4940994 -0.1191177 0.4453280 -1.8628291 19 S -1.2390040 -0.2032634 -0.1137327 -0.1648950 -2.3224702 0.4940994 -0.1191177 0.4453280 -1.8628291 20 S -1.2390040 0.2032634 -0.1137327 0.1648950 -2.3224702 -0.4940994 -0.1191177 -0.4453280 -1.8628291 21 S -1.5505959 -0.4595982 -0.3215006 -0.4365277 -2.2368372 -0.2566891 -0.3276047 -0.1501014 -1.6331463 22 S -1.2390040 0.2032634 -0.1137327 0.1648950 -2.3224702 -0.4940994 -0.1191177 -0.4453280 -1.8628291 23 S -1.5505959 -0.4595982 -0.3215006 -0.4365277 -2.2368372 -0.2566891 -0.3276047 -0.1501014 -1.6331463 24 S -1.5587227 -0.1043613 -0.7919175 -0.0438421 -1.4511663 -0.0358093 -0.6713143 0.0290749 -2.3804994 ---------------------------------------------------------------------------- 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: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 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: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 68), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 68), data: True |-- (250, 239), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.835 Solver_block: 200 / 720 - Time: 0.645 Solver_block: 300 / 720 - Time: 0.645 Solver_block: 400 / 720 - Time: 0.650 Solver_block: 500 / 720 - Time: 0.649 Solver_block: 600 / 720 - Time: 0.647 Solver_block: 700 / 720 - Time: 0.650 Solver_block: 720 / 720 - Time: 0.232 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.061 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 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: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 68), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 68), data: True |-- (250, 239), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:56:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:56:21]------------------------- 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 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.492135532186600 0.000000000000000 0.000000000000000 b 0.000000000000000 8.627456269999998 0.000000000000000 c -3.770800203062657 0.000000000000000 7.749667069726064 Atomic positions (fractional): 1 Ba 0.31134679064916 0.86828054582775 0.68920365167905 137.327 2 Ba 0.31134679064916 0.63171945417225 0.18920365167905 137.327 3 Ba 0.68865320935084 0.13171945417225 0.31079634832095 137.327 4 Ba 0.68865320935084 0.36828054582775 0.81079634832095 137.327 5 Li 0.88602029201615 0.92430997639751 0.79483853098189 6.941 6 Li 0.11397970798385 0.42430997639751 0.70516146901811 6.941 7 Li 0.88602029201615 0.57569002360249 0.29483853098189 6.941 8 Li 0.11397970798385 0.07569002360249 0.20516146901811 6.941 9 B 0.22948702268812 0.15830748618775 0.92016798919668 10.811 10 B 0.22948702268812 0.34169251381225 0.42016798919668 10.811 11 B 0.77051297731188 0.65830748618775 0.57983201080332 10.811 12 B 0.77051297731188 0.84169251381225 0.07983201080332 10.811 13 S 0.61509403466114 0.82957588225625 0.50967958308147 32.065 14 S 0.01284658743093 0.15468128897406 0.70928122583229 32.065 15 S 0.98715341256907 0.84531871102594 0.29071877416772 32.065 16 S 0.38490596533886 0.17042411774375 0.49032041691853 32.065 17 S 0.98715341256907 0.65468128897406 0.79071877416771 32.065 18 S 0.71228679344492 0.01858513695465 0.95298839004315 32.065 19 S 0.28771320655508 0.98141486304535 0.04701160995685 32.065 20 S 0.71228679344492 0.48141486304535 0.45298839004315 32.065 21 S 0.61509403466114 0.67042411774375 0.00967958308147 32.065 22 S 0.28771320655508 0.51858513695465 0.54701160995685 32.065 23 S 0.38490596533886 0.32957588225625 0.99032041691853 32.065 24 S 0.01284658743093 0.34531871102594 0.20928122583229 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.984271064373200 0.000000000000000 0.000000000000000 b 0.000000000000000 8.627456269999998 0.000000000000000 c -7.541600406125314 0.000000000000000 15.499334139452127 Atomic positions (fractional): 1 Ba 0.15567339532458 0.86828054582775 0.34460182583953 137.327 > 1 2 Ba 0.65567339532458 0.86828054582775 0.34460182583953 137.327 > 1 3 Ba 0.15567339532458 0.86828054582775 0.84460182583953 137.327 > 1 4 Ba 0.65567339532458 0.86828054582775 0.84460182583953 137.327 > 1 5 Ba 0.15567339532458 0.63171945417225 0.09460182583953 137.327 > 5 6 Ba 0.65567339532458 0.63171945417225 0.09460182583953 137.327 > 5 7 Ba 0.15567339532458 0.63171945417225 0.59460182583953 137.327 > 5 8 Ba 0.65567339532458 0.63171945417225 0.59460182583953 137.327 > 5 9 Ba 0.34432660467542 0.13171945417225 0.15539817416047 137.327 > 9 10 Ba 0.84432660467542 0.13171945417225 0.15539817416047 137.327 > 9 11 Ba 0.34432660467542 0.13171945417225 0.65539817416047 137.327 > 9 12 Ba 0.84432660467542 0.13171945417225 0.65539817416047 137.327 > 9 13 Ba 0.34432660467542 0.36828054582775 0.40539817416047 137.327 > 13 14 Ba 0.84432660467542 0.36828054582775 0.40539817416047 137.327 > 13 15 Ba 0.34432660467542 0.36828054582775 0.90539817416047 137.327 > 13 16 Ba 0.84432660467542 0.36828054582775 0.90539817416047 137.327 > 13 17 Li 0.44301014600807 0.92430997639751 0.39741926549095 6.941 > 17 18 Li 0.94301014600807 0.92430997639751 0.39741926549095 6.941 > 17 19 Li 0.44301014600807 0.92430997639751 0.89741926549095 6.941 > 17 20 Li 0.94301014600807 0.92430997639751 0.89741926549095 6.941 > 17 21 Li 0.05698985399193 0.42430997639751 0.35258073450905 6.941 > 21 22 Li 0.55698985399193 0.42430997639751 0.35258073450905 6.941 > 21 23 Li 0.05698985399193 0.42430997639751 0.85258073450905 6.941 > 21 24 Li 0.55698985399193 0.42430997639751 0.85258073450905 6.941 > 21 25 Li 0.44301014600807 0.57569002360249 0.14741926549095 6.941 > 25 26 Li 0.94301014600807 0.57569002360249 0.14741926549095 6.941 > 25 27 Li 0.44301014600807 0.57569002360249 0.64741926549095 6.941 > 25 28 Li 0.94301014600807 0.57569002360249 0.64741926549095 6.941 > 25 29 Li 0.05698985399193 0.07569002360249 0.10258073450905 6.941 > 29 30 Li 0.55698985399193 0.07569002360249 0.10258073450905 6.941 > 29 31 Li 0.05698985399193 0.07569002360249 0.60258073450905 6.941 > 29 32 Li 0.55698985399193 0.07569002360249 0.60258073450905 6.941 > 29 33 B 0.11474351134406 0.15830748618775 0.46008399459834 10.811 > 33 34 B 0.61474351134406 0.15830748618775 0.46008399459834 10.811 > 33 35 B 0.11474351134406 0.15830748618775 0.96008399459834 10.811 > 33 36 B 0.61474351134406 0.15830748618775 0.96008399459834 10.811 > 33 37 B 0.11474351134406 0.34169251381225 0.21008399459834 10.811 > 37 38 B 0.61474351134406 0.34169251381225 0.21008399459834 10.811 > 37 39 B 0.11474351134406 0.34169251381225 0.71008399459834 10.811 > 37 40 B 0.61474351134406 0.34169251381225 0.71008399459834 10.811 > 37 41 B 0.38525648865594 0.65830748618775 0.28991600540166 10.811 > 41 42 B 0.88525648865594 0.65830748618775 0.28991600540166 10.811 > 41 43 B 0.38525648865594 0.65830748618775 0.78991600540166 10.811 > 41 44 B 0.88525648865594 0.65830748618775 0.78991600540166 10.811 > 41 45 B 0.38525648865594 0.84169251381225 0.03991600540166 10.811 > 45 46 B 0.88525648865594 0.84169251381225 0.03991600540166 10.811 > 45 47 B 0.38525648865594 0.84169251381225 0.53991600540166 10.811 > 45 48 B 0.88525648865594 0.84169251381225 0.53991600540166 10.811 > 45 49 S 0.30754701733057 0.82957588225625 0.25483979154073 32.065 > 49 50 S 0.80754701733057 0.82957588225625 0.25483979154073 32.065 > 49 51 S 0.30754701733057 0.82957588225625 0.75483979154073 32.065 > 49 52 S 0.80754701733057 0.82957588225625 0.75483979154073 32.065 > 49 53 S 0.00642329371547 0.15468128897406 0.35464061291614 32.065 > 53 54 S 0.50642329371547 0.15468128897406 0.35464061291614 32.065 > 53 55 S 0.00642329371547 0.15468128897406 0.85464061291614 32.065 > 53 56 S 0.50642329371547 0.15468128897406 0.85464061291614 32.065 > 53 57 S 0.49357670628453 0.84531871102594 0.14535938708386 32.065 > 57 58 S 0.99357670628453 0.84531871102594 0.14535938708386 32.065 > 57 59 S 0.49357670628453 0.84531871102594 0.64535938708386 32.065 > 57 60 S 0.99357670628453 0.84531871102594 0.64535938708386 32.065 > 57 61 S 0.19245298266943 0.17042411774375 0.24516020845927 32.065 > 61 62 S 0.69245298266943 0.17042411774375 0.24516020845927 32.065 > 61 63 S 0.19245298266943 0.17042411774375 0.74516020845927 32.065 > 61 64 S 0.69245298266943 0.17042411774375 0.74516020845927 32.065 > 61 65 S 0.49357670628453 0.65468128897406 0.39535938708386 32.065 > 65 66 S 0.99357670628453 0.65468128897406 0.39535938708386 32.065 > 65 67 S 0.49357670628453 0.65468128897406 0.89535938708386 32.065 > 65 68 S 0.99357670628453 0.65468128897406 0.89535938708386 32.065 > 65 69 S 0.35614339672246 0.01858513695465 0.47649419502158 32.065 > 69 70 S 0.85614339672246 0.01858513695465 0.47649419502158 32.065 > 69 71 S 0.35614339672246 0.01858513695465 0.97649419502158 32.065 > 69 72 S 0.85614339672246 0.01858513695465 0.97649419502158 32.065 > 69 73 S 0.14385660327754 0.98141486304535 0.02350580497842 32.065 > 73 74 S 0.64385660327754 0.98141486304535 0.02350580497842 32.065 > 73 75 S 0.14385660327754 0.98141486304535 0.52350580497842 32.065 > 73 76 S 0.64385660327754 0.98141486304535 0.52350580497842 32.065 > 73 77 S 0.35614339672246 0.48141486304535 0.22649419502158 32.065 > 77 78 S 0.85614339672246 0.48141486304535 0.22649419502158 32.065 > 77 79 S 0.35614339672246 0.48141486304535 0.72649419502158 32.065 > 77 80 S 0.85614339672246 0.48141486304535 0.72649419502158 32.065 > 77 81 S 0.30754701733057 0.67042411774375 0.00483979154073 32.065 > 81 82 S 0.80754701733057 0.67042411774375 0.00483979154073 32.065 > 81 83 S 0.30754701733057 0.67042411774375 0.50483979154073 32.065 > 81 84 S 0.80754701733057 0.67042411774375 0.50483979154073 32.065 > 81 85 S 0.14385660327754 0.51858513695465 0.27350580497842 32.065 > 85 86 S 0.64385660327754 0.51858513695465 0.27350580497842 32.065 > 85 87 S 0.14385660327754 0.51858513695465 0.77350580497842 32.065 > 85 88 S 0.64385660327754 0.51858513695465 0.77350580497842 32.065 > 85 89 S 0.19245298266943 0.32957588225625 0.49516020845927 32.065 > 89 90 S 0.69245298266943 0.32957588225625 0.49516020845927 32.065 > 89 91 S 0.19245298266943 0.32957588225625 0.99516020845927 32.065 > 89 92 S 0.69245298266943 0.32957588225625 0.99516020845927 32.065 > 89 93 S 0.00642329371547 0.34531871102594 0.10464061291614 32.065 > 93 94 S 0.50642329371547 0.34531871102594 0.10464061291614 32.065 > 93 95 S 0.00642329371547 0.34531871102594 0.60464061291614 32.065 > 93 96 S 0.50642329371547 0.34531871102594 0.60464061291614 32.065 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5996764 0.0000000 0.4730398 0.0000000 5.2555773 0.0000000 0.4730421 0.0000000 5.1720490 -------------------------- Born effective charges -------------------------- 1 Ba 2.6632947 -0.0739032 0.0321703 -0.1735642 2.7833666 0.2491311 0.1349773 0.3326205 2.9744554 2 Ba 2.6632947 0.0739032 0.0321703 0.1735642 2.7833666 -0.2491311 0.1349773 -0.3326205 2.9744554 3 Ba 2.6632947 -0.0739032 0.0321703 -0.1735642 2.7833666 0.2491311 0.1349773 0.3326205 2.9744554 4 Ba 2.6632947 0.0739032 0.0321703 0.1735642 2.7833666 -0.2491311 0.1349773 -0.3326205 2.9744554 5 Li 1.0545270 0.1323649 0.0583964 0.2073897 1.0410779 0.2550334 -0.0132341 0.3306573 0.9951835 6 Li 1.0545270 -0.1323649 0.0583964 -0.2073897 1.0410779 -0.2550334 -0.0132341 -0.3306573 0.9951835 7 Li 1.0545270 -0.1323649 0.0583964 -0.2073897 1.0410779 -0.2550334 -0.0132341 -0.3306573 0.9951835 8 Li 1.0545270 0.1323649 0.0583964 0.2073897 1.0410779 0.2550334 -0.0132341 0.3306573 0.9951835 9 B 0.6305008 0.8367242 1.1365841 0.7853744 2.1860292 -0.4126568 0.9962934 -0.3180925 1.9068359 10 B 0.6305008 -0.8367242 1.1365841 -0.7853744 2.1860292 0.4126568 0.9962934 0.3180925 1.9068359 11 B 0.6305008 -0.8367242 1.1365841 -0.7853744 2.1860292 0.4126568 0.9962934 0.3180925 1.9068359 12 B 0.6305008 0.8367242 1.1365841 0.7853744 2.1860292 -0.4126568 0.9962934 -0.3180925 1.9068359 13 S -1.5505959 0.4595982 -0.3215006 0.4365277 -2.2368372 0.2566891 -0.3276047 0.1501014 -1.6331463 14 S -1.5587227 0.1043613 -0.7919175 0.0438421 -1.4511663 0.0358093 -0.6713143 -0.0290749 -2.3804994 15 S -1.5587227 0.1043613 -0.7919175 0.0438421 -1.4511663 0.0358093 -0.6713143 -0.0290749 -2.3804994 16 S -1.5505959 0.4595982 -0.3215006 0.4365277 -2.2368372 0.2566891 -0.3276047 0.1501014 -1.6331463 17 S -1.5587227 -0.1043613 -0.7919175 -0.0438421 -1.4511663 -0.0358093 -0.6713143 0.0290749 -2.3804994 18 S -1.2390040 -0.2032634 -0.1137327 -0.1648950 -2.3224702 0.4940994 -0.1191177 0.4453280 -1.8628291 19 S -1.2390040 -0.2032634 -0.1137327 -0.1648950 -2.3224702 0.4940994 -0.1191177 0.4453280 -1.8628291 20 S -1.2390040 0.2032634 -0.1137327 0.1648950 -2.3224702 -0.4940994 -0.1191177 -0.4453280 -1.8628291 21 S -1.5505959 -0.4595982 -0.3215006 -0.4365277 -2.2368372 -0.2566891 -0.3276047 -0.1501014 -1.6331463 22 S -1.2390040 0.2032634 -0.1137327 0.1648950 -2.3224702 -0.4940994 -0.1191177 -0.4453280 -1.8628291 23 S -1.5505959 -0.4595982 -0.3215006 -0.4365277 -2.2368372 -0.2566891 -0.3276047 -0.1501014 -1.6331463 24 S -1.5587227 -0.1043613 -0.7919175 -0.0438421 -1.4511663 -0.0358093 -0.6713143 0.0290749 -2.3804994 ---------------------------------------------------------------------------- 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] 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: -0.00000001 (zx) -0.00000001 (zx) 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 10:56:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:56:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.492135532186600 0.000000000000000 0.000000000000000 b 0.000000000000000 8.627456269999998 0.000000000000000 c -3.770800203062657 0.000000000000000 7.749667069726064 Atomic positions (fractional): 1 Ba 0.31134679064916 0.86828054582775 0.68920365167905 137.327 2 Ba 0.31134679064916 0.63171945417225 0.18920365167905 137.327 3 Ba 0.68865320935084 0.13171945417225 0.31079634832095 137.327 4 Ba 0.68865320935084 0.36828054582775 0.81079634832095 137.327 5 Li 0.88602029201615 0.92430997639751 0.79483853098189 6.941 6 Li 0.11397970798385 0.42430997639751 0.70516146901811 6.941 7 Li 0.88602029201615 0.57569002360249 0.29483853098189 6.941 8 Li 0.11397970798385 0.07569002360249 0.20516146901811 6.941 9 B 0.22948702268812 0.15830748618775 0.92016798919668 10.811 10 B 0.22948702268812 0.34169251381225 0.42016798919668 10.811 11 B 0.77051297731188 0.65830748618775 0.57983201080332 10.811 12 B 0.77051297731188 0.84169251381225 0.07983201080332 10.811 13 S 0.61509403466114 0.82957588225625 0.50967958308147 32.065 14 S 0.01284658743093 0.15468128897406 0.70928122583229 32.065 15 S 0.98715341256907 0.84531871102594 0.29071877416772 32.065 16 S 0.38490596533886 0.17042411774375 0.49032041691853 32.065 17 S 0.98715341256907 0.65468128897406 0.79071877416771 32.065 18 S 0.71228679344492 0.01858513695465 0.95298839004315 32.065 19 S 0.28771320655508 0.98141486304535 0.04701160995685 32.065 20 S 0.71228679344492 0.48141486304535 0.45298839004315 32.065 21 S 0.61509403466114 0.67042411774375 0.00967958308147 32.065 22 S 0.28771320655508 0.51858513695465 0.54701160995685 32.065 23 S 0.38490596533886 0.32957588225625 0.99032041691853 32.065 24 S 0.01284658743093 0.34531871102594 0.20928122583229 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.984271064373200 0.000000000000000 0.000000000000000 b 0.000000000000000 8.627456269999998 0.000000000000000 c -7.541600406125314 0.000000000000000 15.499334139452127 Atomic positions (fractional): 1 Ba 0.15567339532458 0.86828054582775 0.34460182583953 137.327 > 1 2 Ba 0.65567339532458 0.86828054582775 0.34460182583953 137.327 > 1 3 Ba 0.15567339532458 0.86828054582775 0.84460182583953 137.327 > 1 4 Ba 0.65567339532458 0.86828054582775 0.84460182583953 137.327 > 1 5 Ba 0.15567339532458 0.63171945417225 0.09460182583953 137.327 > 5 6 Ba 0.65567339532458 0.63171945417225 0.09460182583953 137.327 > 5 7 Ba 0.15567339532458 0.63171945417225 0.59460182583953 137.327 > 5 8 Ba 0.65567339532458 0.63171945417225 0.59460182583953 137.327 > 5 9 Ba 0.34432660467542 0.13171945417225 0.15539817416047 137.327 > 9 10 Ba 0.84432660467542 0.13171945417225 0.15539817416047 137.327 > 9 11 Ba 0.34432660467542 0.13171945417225 0.65539817416047 137.327 > 9 12 Ba 0.84432660467542 0.13171945417225 0.65539817416047 137.327 > 9 13 Ba 0.34432660467542 0.36828054582775 0.40539817416047 137.327 > 13 14 Ba 0.84432660467542 0.36828054582775 0.40539817416047 137.327 > 13 15 Ba 0.34432660467542 0.36828054582775 0.90539817416047 137.327 > 13 16 Ba 0.84432660467542 0.36828054582775 0.90539817416047 137.327 > 13 17 Li 0.44301014600807 0.92430997639751 0.39741926549095 6.941 > 17 18 Li 0.94301014600807 0.92430997639751 0.39741926549095 6.941 > 17 19 Li 0.44301014600807 0.92430997639751 0.89741926549095 6.941 > 17 20 Li 0.94301014600807 0.92430997639751 0.89741926549095 6.941 > 17 21 Li 0.05698985399193 0.42430997639751 0.35258073450905 6.941 > 21 22 Li 0.55698985399193 0.42430997639751 0.35258073450905 6.941 > 21 23 Li 0.05698985399193 0.42430997639751 0.85258073450905 6.941 > 21 24 Li 0.55698985399193 0.42430997639751 0.85258073450905 6.941 > 21 25 Li 0.44301014600807 0.57569002360249 0.14741926549095 6.941 > 25 26 Li 0.94301014600807 0.57569002360249 0.14741926549095 6.941 > 25 27 Li 0.44301014600807 0.57569002360249 0.64741926549095 6.941 > 25 28 Li 0.94301014600807 0.57569002360249 0.64741926549095 6.941 > 25 29 Li 0.05698985399193 0.07569002360249 0.10258073450905 6.941 > 29 30 Li 0.55698985399193 0.07569002360249 0.10258073450905 6.941 > 29 31 Li 0.05698985399193 0.07569002360249 0.60258073450905 6.941 > 29 32 Li 0.55698985399193 0.07569002360249 0.60258073450905 6.941 > 29 33 B 0.11474351134406 0.15830748618775 0.46008399459834 10.811 > 33 34 B 0.61474351134406 0.15830748618775 0.46008399459834 10.811 > 33 35 B 0.11474351134406 0.15830748618775 0.96008399459834 10.811 > 33 36 B 0.61474351134406 0.15830748618775 0.96008399459834 10.811 > 33 37 B 0.11474351134406 0.34169251381225 0.21008399459834 10.811 > 37 38 B 0.61474351134406 0.34169251381225 0.21008399459834 10.811 > 37 39 B 0.11474351134406 0.34169251381225 0.71008399459834 10.811 > 37 40 B 0.61474351134406 0.34169251381225 0.71008399459834 10.811 > 37 41 B 0.38525648865594 0.65830748618775 0.28991600540166 10.811 > 41 42 B 0.88525648865594 0.65830748618775 0.28991600540166 10.811 > 41 43 B 0.38525648865594 0.65830748618775 0.78991600540166 10.811 > 41 44 B 0.88525648865594 0.65830748618775 0.78991600540166 10.811 > 41 45 B 0.38525648865594 0.84169251381225 0.03991600540166 10.811 > 45 46 B 0.88525648865594 0.84169251381225 0.03991600540166 10.811 > 45 47 B 0.38525648865594 0.84169251381225 0.53991600540166 10.811 > 45 48 B 0.88525648865594 0.84169251381225 0.53991600540166 10.811 > 45 49 S 0.30754701733057 0.82957588225625 0.25483979154073 32.065 > 49 50 S 0.80754701733057 0.82957588225625 0.25483979154073 32.065 > 49 51 S 0.30754701733057 0.82957588225625 0.75483979154073 32.065 > 49 52 S 0.80754701733057 0.82957588225625 0.75483979154073 32.065 > 49 53 S 0.00642329371547 0.15468128897406 0.35464061291614 32.065 > 53 54 S 0.50642329371547 0.15468128897406 0.35464061291614 32.065 > 53 55 S 0.00642329371547 0.15468128897406 0.85464061291614 32.065 > 53 56 S 0.50642329371547 0.15468128897406 0.85464061291614 32.065 > 53 57 S 0.49357670628453 0.84531871102594 0.14535938708386 32.065 > 57 58 S 0.99357670628453 0.84531871102594 0.14535938708386 32.065 > 57 59 S 0.49357670628453 0.84531871102594 0.64535938708386 32.065 > 57 60 S 0.99357670628453 0.84531871102594 0.64535938708386 32.065 > 57 61 S 0.19245298266943 0.17042411774375 0.24516020845927 32.065 > 61 62 S 0.69245298266943 0.17042411774375 0.24516020845927 32.065 > 61 63 S 0.19245298266943 0.17042411774375 0.74516020845927 32.065 > 61 64 S 0.69245298266943 0.17042411774375 0.74516020845927 32.065 > 61 65 S 0.49357670628453 0.65468128897406 0.39535938708386 32.065 > 65 66 S 0.99357670628453 0.65468128897406 0.39535938708386 32.065 > 65 67 S 0.49357670628453 0.65468128897406 0.89535938708386 32.065 > 65 68 S 0.99357670628453 0.65468128897406 0.89535938708386 32.065 > 65 69 S 0.35614339672246 0.01858513695465 0.47649419502158 32.065 > 69 70 S 0.85614339672246 0.01858513695465 0.47649419502158 32.065 > 69 71 S 0.35614339672246 0.01858513695465 0.97649419502158 32.065 > 69 72 S 0.85614339672246 0.01858513695465 0.97649419502158 32.065 > 69 73 S 0.14385660327754 0.98141486304535 0.02350580497842 32.065 > 73 74 S 0.64385660327754 0.98141486304535 0.02350580497842 32.065 > 73 75 S 0.14385660327754 0.98141486304535 0.52350580497842 32.065 > 73 76 S 0.64385660327754 0.98141486304535 0.52350580497842 32.065 > 73 77 S 0.35614339672246 0.48141486304535 0.22649419502158 32.065 > 77 78 S 0.85614339672246 0.48141486304535 0.22649419502158 32.065 > 77 79 S 0.35614339672246 0.48141486304535 0.72649419502158 32.065 > 77 80 S 0.85614339672246 0.48141486304535 0.72649419502158 32.065 > 77 81 S 0.30754701733057 0.67042411774375 0.00483979154073 32.065 > 81 82 S 0.80754701733057 0.67042411774375 0.00483979154073 32.065 > 81 83 S 0.30754701733057 0.67042411774375 0.50483979154073 32.065 > 81 84 S 0.80754701733057 0.67042411774375 0.50483979154073 32.065 > 81 85 S 0.14385660327754 0.51858513695465 0.27350580497842 32.065 > 85 86 S 0.64385660327754 0.51858513695465 0.27350580497842 32.065 > 85 87 S 0.14385660327754 0.51858513695465 0.77350580497842 32.065 > 85 88 S 0.64385660327754 0.51858513695465 0.77350580497842 32.065 > 85 89 S 0.19245298266943 0.32957588225625 0.49516020845927 32.065 > 89 90 S 0.69245298266943 0.32957588225625 0.49516020845927 32.065 > 89 91 S 0.19245298266943 0.32957588225625 0.99516020845927 32.065 > 89 92 S 0.69245298266943 0.32957588225625 0.99516020845927 32.065 > 89 93 S 0.00642329371547 0.34531871102594 0.10464061291614 32.065 > 93 94 S 0.50642329371547 0.34531871102594 0.10464061291614 32.065 > 93 95 S 0.00642329371547 0.34531871102594 0.60464061291614 32.065 > 93 96 S 0.50642329371547 0.34531871102594 0.60464061291614 32.065 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5996764 0.0000000 0.4730398 0.0000000 5.2555773 0.0000000 0.4730421 0.0000000 5.1720490 -------------------------- Born effective charges -------------------------- 1 Ba 2.6632947 -0.0739032 0.0321703 -0.1735642 2.7833666 0.2491311 0.1349773 0.3326205 2.9744554 2 Ba 2.6632947 0.0739032 0.0321703 0.1735642 2.7833666 -0.2491311 0.1349773 -0.3326205 2.9744554 3 Ba 2.6632947 -0.0739032 0.0321703 -0.1735642 2.7833666 0.2491311 0.1349773 0.3326205 2.9744554 4 Ba 2.6632947 0.0739032 0.0321703 0.1735642 2.7833666 -0.2491311 0.1349773 -0.3326205 2.9744554 5 Li 1.0545270 0.1323649 0.0583964 0.2073897 1.0410779 0.2550334 -0.0132341 0.3306573 0.9951835 6 Li 1.0545270 -0.1323649 0.0583964 -0.2073897 1.0410779 -0.2550334 -0.0132341 -0.3306573 0.9951835 7 Li 1.0545270 -0.1323649 0.0583964 -0.2073897 1.0410779 -0.2550334 -0.0132341 -0.3306573 0.9951835 8 Li 1.0545270 0.1323649 0.0583964 0.2073897 1.0410779 0.2550334 -0.0132341 0.3306573 0.9951835 9 B 0.6305008 0.8367242 1.1365841 0.7853744 2.1860292 -0.4126568 0.9962934 -0.3180925 1.9068359 10 B 0.6305008 -0.8367242 1.1365841 -0.7853744 2.1860292 0.4126568 0.9962934 0.3180925 1.9068359 11 B 0.6305008 -0.8367242 1.1365841 -0.7853744 2.1860292 0.4126568 0.9962934 0.3180925 1.9068359 12 B 0.6305008 0.8367242 1.1365841 0.7853744 2.1860292 -0.4126568 0.9962934 -0.3180925 1.9068359 13 S -1.5505959 0.4595982 -0.3215006 0.4365277 -2.2368372 0.2566891 -0.3276047 0.1501014 -1.6331463 14 S -1.5587227 0.1043613 -0.7919175 0.0438421 -1.4511663 0.0358093 -0.6713143 -0.0290749 -2.3804994 15 S -1.5587227 0.1043613 -0.7919175 0.0438421 -1.4511663 0.0358093 -0.6713143 -0.0290749 -2.3804994 16 S -1.5505959 0.4595982 -0.3215006 0.4365277 -2.2368372 0.2566891 -0.3276047 0.1501014 -1.6331463 17 S -1.5587227 -0.1043613 -0.7919175 -0.0438421 -1.4511663 -0.0358093 -0.6713143 0.0290749 -2.3804994 18 S -1.2390040 -0.2032634 -0.1137327 -0.1648950 -2.3224702 0.4940994 -0.1191177 0.4453280 -1.8628291 19 S -1.2390040 -0.2032634 -0.1137327 -0.1648950 -2.3224702 0.4940994 -0.1191177 0.4453280 -1.8628291 20 S -1.2390040 0.2032634 -0.1137327 0.1648950 -2.3224702 -0.4940994 -0.1191177 -0.4453280 -1.8628291 21 S -1.5505959 -0.4595982 -0.3215006 -0.4365277 -2.2368372 -0.2566891 -0.3276047 -0.1501014 -1.6331463 22 S -1.2390040 0.2032634 -0.1137327 0.1648950 -2.3224702 -0.4940994 -0.1191177 -0.4453280 -1.8628291 23 S -1.5505959 -0.4595982 -0.3215006 -0.4365277 -2.2368372 -0.2566891 -0.3276047 -0.1501014 -1.6331463 24 S -1.5587227 -0.1043613 -0.7919175 -0.0438421 -1.4511663 -0.0358093 -0.6713143 0.0290749 -2.3804994 ---------------------------------------------------------------------------- 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 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 6 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 295, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/88) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 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 1.692 ( 0.000 0.000 0.000) 0.000 1.729 ( 0.000 0.000 0.000) 0.000 1.791 ( 0.000 0.000 0.000) 0.000 1.868 ( 0.000 0.000 0.000) 0.000 1.918 ( 0.000 0.000 0.000) 0.000 1.957 ( 0.000 0.000 0.000) 0.000 2.138 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 2.651 ( 0.000 0.000 0.000) 0.000 2.851 ( 0.000 0.000 0.000) 0.000 2.886 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 3.019 ( 0.000 0.000 0.000) 0.000 3.079 ( 0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.512 ( 0.000 0.000 0.000) 0.000 3.644 ( 0.000 0.000 0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 3.871 ( 0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 4.007 ( 0.000 0.000 0.000) 0.000 4.267 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 0.000) 0.000 4.440 ( 0.000 0.000 0.000) 0.000 4.496 ( 0.000 0.000 0.000) 0.000 4.658 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 4.858 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 5.211 ( 0.000 0.000 0.000) 0.000 5.565 ( 0.000 0.000 0.000) 0.000 6.040 ( 0.000 0.000 0.000) 0.000 6.055 ( 0.000 0.000 0.000) 0.000 6.495 ( 0.000 0.000 0.000) 0.000 7.277 ( 0.000 0.000 0.000) 0.000 7.371 ( 0.000 0.000 0.000) 0.000 8.095 ( 0.000 0.000 0.000) 0.000 8.139 ( 0.000 0.000 0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 8.183 ( 0.000 0.000 0.000) 0.000 8.222 ( 0.000 0.000 0.000) 0.000 8.312 ( 0.000 0.000 0.000) 0.000 10.281 ( 0.000 0.000 0.000) 0.000 10.584 ( 0.000 0.000 0.000) 0.000 10.764 ( 0.000 0.000 0.000) 0.000 10.828 ( 0.000 0.000 0.000) 0.000 11.505 ( 0.000 0.000 0.000) 0.000 11.707 ( 0.000 0.000 0.000) 0.000 11.906 ( 0.000 0.000 0.000) 0.000 12.013 ( 0.000 0.000 0.000) 0.000 12.875 ( 0.000 0.000 0.000) 0.000 12.877 ( 0.000 0.000 0.000) 0.000 12.901 ( 0.000 0.000 0.000) 0.000 12.945 ( 0.000 0.000 0.000) 0.000 13.420 ( 0.000 0.000 0.000) 0.000 13.451 ( 0.000 0.000 0.000) 0.000 13.462 ( 0.000 0.000 0.000) 0.000 13.544 ( 0.000 0.000 0.000) 0.000 23.889 ( 0.000 0.000 0.000) 0.000 23.932 ( 0.000 0.000 0.000) 0.000 24.274 ( 0.000 0.000 0.000) 0.000 24.361 ( 0.000 0.000 0.000) 0.000 25.230 ( 0.000 0.000 0.000) 0.000 25.343 ( 0.000 0.000 0.000) 0.000 25.352 ( 0.000 0.000 0.000) 0.000 25.658 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/88) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 28.210 0.000 -2.312) 28.304 0.559 ( 21.292 0.000 13.173) 25.038 0.847 ( 27.173 0.000 33.125) 42.844 1.724 ( 2.069 0.000 6.184) 6.521 1.793 ( 0.314 0.000 -0.670) 0.740 1.805 ( 3.190 0.000 5.652) 6.490 1.928 ( 4.702 0.000 1.892) 5.069 1.966 ( 1.551 0.000 3.947) 4.241 2.016 ( 3.139 0.000 3.607) 4.782 2.144 ( -1.444 0.000 6.930) 7.079 2.172 ( 2.362 0.000 -0.966) 2.552 2.316 ( -1.579 0.000 2.168) 2.682 2.660 ( 1.203 0.000 -0.800) 1.445 2.803 ( -2.848 0.000 -3.493) 4.507 2.942 ( -2.651 0.000 3.478) 4.373 2.986 ( -2.395 0.000 0.952) 2.577 3.069 ( -2.013 0.000 0.946) 2.224 3.100 ( 5.299 0.000 -16.080) 16.931 3.360 ( 2.939 0.000 -3.571) 4.625 3.455 ( 3.531 0.000 -1.037) 3.680 3.460 ( -1.471 0.000 0.296) 1.501 3.545 ( 1.901 0.000 -2.123) 2.850 3.628 ( 0.740 0.000 -5.277) 5.328 3.712 ( -1.968 0.000 -8.881) 9.096 3.876 ( 0.117 0.000 0.375) 0.393 4.120 ( 4.281 0.000 6.090) 7.444 4.174 ( -3.916 0.000 -4.215) 5.754 4.338 ( -3.354 0.000 7.893) 8.576 4.447 ( 1.456 0.000 -0.999) 1.766 4.504 ( -1.660 0.000 3.513) 3.885 4.617 ( -0.647 0.000 -4.929) 4.972 4.650 ( -2.269 0.000 0.246) 2.282 4.795 ( -3.060 0.000 -2.011) 3.662 4.860 ( -3.186 0.000 -1.206) 3.406 4.983 ( 3.825 0.000 -4.098) 5.606 5.166 ( -3.901 0.000 -1.155) 4.068 5.569 ( 0.572 0.000 -0.605) 0.832 6.023 ( -2.273 0.000 -1.853) 2.933 6.474 ( -2.519 0.000 0.943) 2.690 6.477 ( -10.917 0.000 25.394) 27.641 7.307 ( 1.779 0.000 2.227) 2.850 7.374 ( -0.038 0.000 0.509) 0.511 8.081 ( -0.924 0.000 -0.897) 1.288 8.133 ( -0.478 0.000 -0.442) 0.651 8.163 ( -0.253 0.000 1.439) 1.461 8.209 ( -0.816 0.000 -1.222) 1.469 8.264 ( -2.479 0.000 3.027) 3.913 8.299 ( -0.669 0.000 -1.170) 1.348 10.286 ( 0.269 0.000 0.390) 0.474 10.759 ( -0.898 0.000 0.924) 1.289 10.806 ( -0.579 0.000 -0.529) 0.784 10.835 ( 0.724 0.000 -0.130) 0.735 11.576 ( 8.382 0.000 -16.732) 18.714 11.704 ( -0.205 0.000 -0.150) 0.254 11.885 ( -2.382 0.000 1.151) 2.645 12.030 ( 2.136 0.000 -1.402) 2.555 12.875 ( -0.253 0.000 -0.081) 0.265 12.883 ( 0.539 0.000 0.364) 0.650 12.904 ( 0.295 0.000 0.061) 0.301 12.951 ( 0.458 0.000 -0.424) 0.624 13.440 ( 0.431 0.000 0.410) 0.595 13.445 ( -0.221 0.000 0.152) 0.268 13.477 ( 0.762 0.000 0.422) 0.871 13.537 ( -0.702 0.000 -0.177) 0.724 23.895 ( 0.235 0.000 0.738) 0.775 23.948 ( 0.749 0.000 1.954) 2.093 24.344 ( -1.481 0.000 -0.609) 1.601 24.957 ( -13.410 0.000 14.497) 19.749 25.273 ( -6.197 0.000 17.895) 18.937 25.326 ( -0.230 0.000 -3.009) 3.018 25.580 ( 3.323 0.000 -0.379) 3.345 25.658 ( -1.279 0.000 2.667) 2.958 ======================= Grid point 2 (3/88) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 25.481 0.000 -2.206) 25.576 1.036 ( 16.788 0.000 10.937) 20.036 1.616 ( 21.273 0.000 28.386) 35.473 1.800 ( 1.732 0.000 -0.469) 1.795 1.864 ( 4.166 0.000 0.868) 4.256 1.928 ( 3.114 0.000 11.616) 12.027 1.960 ( -4.882 0.000 2.721) 5.589 2.009 ( -0.382 0.000 3.551) 3.571 2.116 ( 6.871 0.000 -1.190) 6.973 2.199 ( 0.533 0.000 1.631) 1.716 2.272 ( 5.452 0.000 8.281) 9.915 2.345 ( 0.159 0.000 7.634) 7.636 2.673 ( 1.317 0.000 -2.130) 2.504 2.705 ( -2.620 0.000 -4.922) 5.576 2.895 ( -5.404 0.000 4.460) 7.007 2.989 ( -6.641 0.000 1.696) 6.854 2.993 ( 0.997 0.000 2.623) 2.806 3.069 ( 0.978 0.000 -4.375) 4.483 3.302 ( -3.693 0.000 -4.792) 6.050 3.465 ( 1.901 0.000 -2.554) 3.183 3.478 ( 0.170 0.000 -6.919) 6.921 3.580 ( 3.666 0.000 -1.894) 4.126 3.585 ( 0.925 0.000 -4.546) 4.639 3.624 ( 0.600 0.000 -6.667) 6.694 3.904 ( 1.315 0.000 2.801) 3.094 4.084 ( -2.350 0.000 -1.789) 2.954 4.199 ( -0.979 0.000 2.890) 3.051 4.342 ( -2.519 0.000 5.839) 6.359 4.429 ( -4.444 0.000 -3.533) 5.678 4.483 ( 4.374 0.000 -4.836) 6.521 4.563 ( -0.329 0.000 -4.317) 4.329 4.611 ( -0.991 0.000 1.772) 2.030 4.688 ( -6.763 0.000 -1.130) 6.857 4.856 ( 2.562 0.000 1.163) 2.814 4.996 ( 1.328 0.000 -3.626) 3.861 5.054 ( -6.306 0.000 -1.073) 6.396 5.572 ( 0.566 0.000 -0.983) 1.134 5.948 ( -2.944 0.000 -2.527) 3.880 6.425 ( -3.446 0.000 1.362) 3.705 6.502 ( -3.507 0.000 9.223) 9.868 7.370 ( 1.997 0.000 2.596) 3.275 7.376 ( -0.249 0.000 0.482) 0.543 8.055 ( -0.674 0.000 -0.565) 0.880 8.121 ( -0.339 0.000 -0.217) 0.403 8.170 ( -1.424 0.000 -2.146) 2.575 8.174 ( 0.155 0.000 1.166) 1.177 8.241 ( -1.484 0.000 0.413) 1.540 8.272 ( -0.755 0.000 -1.344) 1.541 10.297 ( 0.351 0.000 0.525) 0.632 10.750 ( -1.151 0.000 1.416) 1.825 10.787 ( -0.097 0.000 -1.931) 1.933 10.850 ( 0.879 0.000 -0.183) 0.898 11.581 ( 3.187 0.000 -5.992) 6.787 11.698 ( -0.279 0.000 -0.184) 0.334 11.851 ( -2.043 0.000 0.964) 2.260 12.057 ( 1.796 0.000 -1.200) 2.160 12.867 ( -0.349 0.000 -0.238) 0.423 12.898 ( 0.563 0.000 0.364) 0.670 12.914 ( 0.468 0.000 0.266) 0.539 12.958 ( 0.316 0.000 0.304) 0.439 13.447 ( 0.103 0.000 0.462) 0.474 13.456 ( 0.794 0.000 0.314) 0.854 13.491 ( 0.400 0.000 0.030) 0.401 13.516 ( -1.207 0.000 -0.144) 1.216 23.910 ( 0.351 0.000 0.949) 1.012 23.995 ( 1.611 0.000 2.973) 3.381 24.296 ( -2.505 0.000 -1.203) 2.779 24.843 ( -5.469 0.000 0.788) 5.526 25.288 ( -0.344 0.000 -3.407) 3.424 25.299 ( -4.702 0.000 10.484) 11.490 25.651 ( 3.480 0.000 0.468) 3.511 25.657 ( -1.634 0.000 2.912) 3.339 ======================= Grid point 3 (4/88) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 10.263 0.000 7.614) 12.779 1.435 ( 18.778 0.000 -1.887) 18.872 1.755 ( -8.020 0.000 -0.271) 8.024 1.793 ( -5.613 0.000 -4.780) 7.373 1.850 ( -2.776 0.000 4.315) 5.130 2.040 ( 1.366 0.000 2.133) 2.533 2.096 ( 2.393 0.000 2.951) 3.800 2.152 ( 4.008 0.000 5.088) 6.477 2.237 ( 3.745 0.000 3.536) 5.151 2.266 ( 7.990 0.000 7.987) 11.297 2.431 ( 2.938 0.000 5.046) 5.839 2.433 ( 2.135 0.000 3.576) 4.165 2.633 ( -0.369 0.000 -3.611) 3.630 2.681 ( 2.623 0.000 -1.814) 3.189 2.809 ( -6.433 0.000 0.887) 6.494 2.892 ( -4.259 0.000 1.841) 4.640 3.047 ( -0.040 0.000 -1.727) 1.728 3.049 ( 1.265 0.000 2.500) 2.802 3.203 ( -2.044 0.000 -1.970) 2.839 3.343 ( -3.814 0.000 -7.568) 8.475 3.464 ( 0.658 0.000 -2.168) 2.265 3.582 ( 1.136 0.000 -2.098) 2.386 3.595 ( 0.392 0.000 -2.372) 2.405 3.626 ( 1.390 0.000 0.089) 1.393 3.964 ( 1.766 0.000 1.943) 2.626 4.045 ( -0.989 0.000 -0.086) 0.993 4.166 ( -2.499 0.000 0.384) 2.528 4.339 ( -1.453 0.000 -2.061) 2.522 4.359 ( 0.084 0.000 2.239) 2.240 4.494 ( 1.212 0.000 -2.031) 2.365 4.521 ( -0.397 0.000 -2.923) 2.949 4.563 ( -4.093 0.000 -0.858) 4.182 4.672 ( 3.436 0.000 1.352) 3.692 4.922 ( 2.091 0.000 2.048) 2.927 4.930 ( -4.862 0.000 -0.284) 4.871 4.972 ( -0.594 0.000 -2.662) 2.727 5.573 ( 0.258 0.000 -0.488) 0.552 5.886 ( -1.329 0.000 -1.149) 1.757 6.382 ( -1.665 0.000 0.700) 1.806 6.512 ( -0.992 0.000 2.376) 2.575 7.374 ( -0.187 0.000 0.154) 0.242 7.417 ( 0.810 0.000 1.097) 1.363 8.051 ( 0.147 0.000 0.307) 0.340 8.117 ( -0.067 0.000 0.001) 0.067 8.125 ( -1.057 0.000 -1.549) 1.875 8.189 ( 0.274 0.000 0.852) 0.895 8.219 ( -0.670 0.000 -0.391) 0.776 8.252 ( -0.299 0.000 -0.546) 0.623 10.306 ( 0.161 0.000 0.246) 0.294 10.744 ( -0.557 0.000 0.847) 1.014 10.772 ( 0.059 0.000 -1.123) 1.125 10.861 ( 0.382 0.000 -0.089) 0.392 11.585 ( 0.903 0.000 -1.627) 1.861 11.692 ( -0.132 0.000 -0.080) 0.155 11.830 ( -0.749 0.000 0.359) 0.831 12.074 ( 0.660 0.000 -0.437) 0.792 12.860 ( -0.152 0.000 -0.128) 0.199 12.908 ( 0.202 0.000 0.131) 0.241 12.923 ( 0.228 0.000 0.159) 0.278 12.966 ( 0.167 0.000 0.217) 0.273 13.453 ( 0.093 0.000 0.245) 0.262 13.474 ( 0.923 0.000 -0.216) 0.948 13.493 ( -1.142 0.000 0.257) 1.171 13.494 ( 0.073 0.000 -0.103) 0.126 23.922 ( 0.181 0.000 0.435) 0.472 24.053 ( 1.431 0.000 1.905) 2.382 24.238 ( -1.826 0.000 -1.083) 2.123 24.775 ( -1.701 0.000 -0.355) 1.738 25.259 ( -0.170 0.000 -1.430) 1.441 25.300 ( -1.621 0.000 3.148) 3.541 25.652 ( -0.743 0.000 1.184) 1.398 25.704 ( 1.280 0.000 0.425) 1.349 ======================= Grid point 7 (5/88) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( 0.000 21.037 0.000) 21.037 0.469 ( 0.000 23.922 0.000) 23.922 0.828 ( 0.000 40.337 0.000) 40.337 1.657 ( 0.000 -4.267 0.000) 4.267 1.721 ( 0.000 -0.678 0.000) 0.678 1.750 ( 0.000 -6.506 0.000) 6.506 1.836 ( 0.000 -1.185 0.000) 1.185 1.903 ( 0.000 -0.007 0.000) 0.007 1.974 ( 0.000 1.528 0.000) 1.528 2.162 ( 0.000 1.986 0.000) 1.986 2.179 ( 0.000 3.023 0.000) 3.023 2.320 ( 0.000 -0.937 0.000) 0.937 2.704 ( 0.000 0.634 0.000) 0.634 2.899 ( 0.000 1.146 0.000) 1.146 2.916 ( 0.000 5.929 0.000) 5.929 3.028 ( 0.000 0.794 0.000) 0.794 3.096 ( 0.000 1.656 0.000) 1.656 3.300 ( 0.000 -3.169 0.000) 3.169 3.400 ( 0.000 2.040 0.000) 2.040 3.402 ( 0.000 -3.501 0.000) 3.501 3.425 ( 0.000 -1.197 0.000) 1.197 3.560 ( 0.000 1.413 0.000) 1.413 3.710 ( 0.000 5.812 0.000) 5.812 3.804 ( 0.000 0.643 0.000) 0.643 3.854 ( 0.000 0.377 0.000) 0.377 3.937 ( 0.000 3.343 0.000) 3.343 3.976 ( 0.000 -2.923 0.000) 2.923 4.284 ( 0.000 1.169 0.000) 1.169 4.347 ( 0.000 -0.824 0.000) 0.824 4.475 ( 0.000 -0.971 0.000) 0.971 4.514 ( 0.000 2.105 0.000) 2.105 4.666 ( 0.000 0.152 0.000) 0.152 4.711 ( 0.000 -8.977 0.000) 8.977 4.894 ( 0.000 0.290 0.000) 0.290 4.918 ( 0.000 -0.100 0.000) 0.100 5.155 ( 0.000 -5.155 0.000) 5.155 5.874 ( 0.000 -2.654 0.000) 2.654 6.021 ( 0.000 -1.988 0.000) 1.988 6.130 ( 0.000 5.192 0.000) 5.192 6.469 ( 0.000 -2.613 0.000) 2.613 7.349 ( 0.000 1.603 0.000) 1.603 7.455 ( 0.000 5.277 0.000) 5.277 8.014 ( 0.000 -7.395 0.000) 7.395 8.067 ( 0.000 -8.268 0.000) 8.268 8.144 ( 0.000 0.262 0.000) 0.262 8.172 ( 0.000 0.340 0.000) 0.340 8.229 ( 0.000 0.569 0.000) 0.569 8.321 ( 0.000 0.016 0.000) 0.016 10.327 ( 0.000 4.466 0.000) 4.466 10.635 ( 0.000 4.965 0.000) 4.965 10.741 ( 0.000 -2.395 0.000) 2.395 11.169 ( 0.000 -4.124 0.000) 4.124 11.526 ( 0.000 2.073 0.000) 2.073 11.703 ( 0.000 -0.533 0.000) 0.533 11.926 ( 0.000 2.010 0.000) 2.010 12.188 ( 0.000 -2.118 0.000) 2.118 12.873 ( 0.000 -0.145 0.000) 0.145 12.876 ( 0.000 -0.120 0.000) 0.120 12.918 ( 0.000 0.326 0.000) 0.326 12.944 ( 0.000 -0.088 0.000) 0.088 13.430 ( 0.000 0.464 0.000) 0.464 13.447 ( 0.000 -1.230 0.000) 1.230 13.455 ( 0.000 0.833 0.000) 0.833 13.555 ( 0.000 0.665 0.000) 0.665 23.914 ( 0.000 2.468 0.000) 2.468 23.975 ( 0.000 2.780 0.000) 2.780 24.246 ( 0.000 -2.812 0.000) 2.812 24.336 ( 0.000 -2.655 0.000) 2.655 25.233 ( 0.000 0.308 0.000) 0.308 25.321 ( 0.000 -2.468 0.000) 2.468 25.731 ( 0.000 6.667 0.000) 6.667 26.316 ( 0.000 -3.823 0.000) 3.823 ======================= Grid point 8 (6/88) ======================= q-point: ( 0.14 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 19.346 12.720 -0.935) 23.172 0.749 ( 15.322 14.387 13.915) 25.206 1.137 ( 17.978 23.847 17.773) 34.753 1.706 ( 2.954 -2.232 5.223) 6.403 1.765 ( 2.579 -4.139 1.882) 5.227 1.814 ( 2.210 0.442 4.889) 5.384 1.905 ( 4.513 0.258 1.785) 4.860 1.926 ( 2.875 -4.124 4.165) 6.528 2.030 ( 2.353 1.360 4.072) 4.895 2.167 ( 0.769 -0.119 -1.041) 1.300 2.185 ( -0.737 3.267 4.116) 5.307 2.310 ( -1.050 -0.698 1.488) 1.950 2.675 ( -0.424 1.496 -0.955) 1.825 2.851 ( -1.401 4.528 -3.006) 5.613 2.952 ( -1.901 1.325 2.021) 3.075 2.992 ( -2.558 1.470 1.649) 3.380 3.092 ( -1.441 1.462 0.389) 2.089 3.177 ( -0.300 5.268 -12.920) 13.956 3.335 ( 2.083 -2.175 -3.230) 4.416 3.419 ( 0.218 -3.152 2.675) 4.140 3.467 ( 3.664 0.315 -1.584) 4.004 3.543 ( -0.785 -0.478 -2.411) 2.580 3.669 ( 0.037 4.476 -4.933) 6.662 3.752 ( -1.140 4.168 -7.172) 8.373 3.864 ( 0.391 -0.855 0.515) 1.072 4.044 ( 1.988 -6.203 3.236) 7.273 4.177 ( -0.266 -2.837 2.676) 3.909 4.216 ( -0.722 -5.564 5.315) 7.728 4.393 ( 1.853 -2.825 -1.049) 3.538 4.459 ( 0.061 -0.778 -1.817) 1.977 4.613 ( 1.400 1.172 -0.030) 1.826 4.651 ( 1.495 0.836 2.768) 3.255 4.736 ( -1.593 -9.561 0.344) 9.699 4.875 ( -0.727 1.822 -0.767) 2.106 4.918 ( 0.527 -1.105 0.891) 1.514 5.114 ( -4.008 -4.905 -0.264) 6.340 5.734 ( -2.814 7.905 -4.282) 9.421 6.073 ( -0.891 4.402 -4.043) 6.043 6.292 ( 1.214 -11.703 19.068) 22.406 6.450 ( -2.487 -2.641 1.448) 3.907 7.353 ( 0.328 2.890 1.181) 3.140 7.437 ( -0.690 6.143 0.238) 6.186 8.006 ( -1.124 -7.034 -0.403) 7.134 8.069 ( 0.102 -7.823 0.183) 7.825 8.118 ( 0.145 -1.757 -0.518) 1.837 8.201 ( -0.158 -2.167 0.830) 2.326 8.221 ( -0.270 0.472 -1.284) 1.395 8.301 ( -1.084 -0.334 -1.632) 1.988 10.333 ( 0.288 4.470 0.303) 4.489 10.688 ( 2.402 0.473 2.410) 3.435 10.741 ( 0.787 -2.009 -1.371) 2.556 11.039 ( -6.836 4.122 -2.323) 8.313 11.558 ( 5.004 -0.075 -6.849) 8.483 11.700 ( -0.308 -0.495 0.092) 0.590 11.910 ( -1.850 2.145 0.266) 2.845 12.091 ( -2.129 2.467 -3.941) 5.114 12.875 ( -0.126 -0.020 -0.091) 0.157 12.880 ( 0.439 -0.223 0.226) 0.542 12.914 ( 0.086 0.714 0.083) 0.724 12.949 ( 0.410 -0.139 -0.103) 0.445 13.433 ( 0.064 -0.539 0.039) 0.544 13.459 ( 0.641 0.901 0.451) 1.194 13.466 ( 0.535 -0.477 0.646) 0.965 13.548 ( -0.611 0.808 -0.016) 1.013 23.895 ( -0.866 0.959 0.670) 1.456 23.975 ( 0.416 2.372 2.456) 3.440 24.319 ( -0.852 -2.584 -1.139) 2.950 24.570 ( 9.033 -17.480 16.531) 25.698 25.136 ( -3.919 1.218 -3.316) 5.276 25.414 ( 3.110 -4.767 4.764) 7.423 25.693 ( -3.698 8.458 -0.835) 9.269 26.015 ( -15.040 13.984 -2.042) 20.638 ======================= Grid point 9 (7/88) ======================= q-point: ( 0.29 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 19.677 4.162 1.947) 20.206 1.165 ( 17.224 9.015 6.831) 20.606 1.640 ( 12.445 1.347 16.246) 20.509 1.784 ( 0.385 -1.129 1.329) 1.786 1.879 ( 5.574 -1.259 3.899) 6.918 1.918 ( 2.373 -0.097 10.136) 10.411 1.960 ( 0.592 1.860 4.718) 5.106 2.051 ( -0.803 1.626 -1.739) 2.513 2.106 ( 7.808 -0.210 4.461) 8.995 2.180 ( 1.313 -2.166 -0.590) 2.601 2.267 ( 3.849 0.196 6.995) 7.986 2.342 ( 0.451 0.038 6.886) 6.901 2.683 ( 2.244 2.265 -0.863) 3.303 2.786 ( -2.380 6.325 -2.366) 7.160 2.902 ( -4.779 1.881 2.415) 5.675 2.971 ( -2.258 -0.396 1.690) 2.848 3.039 ( -3.692 2.940 2.058) 5.149 3.115 ( 0.014 3.825 -2.833) 4.759 3.288 ( -2.766 -1.564 -5.483) 6.337 3.443 ( 2.323 -2.106 -2.347) 3.916 3.513 ( 2.182 1.932 -4.196) 5.109 3.543 ( 1.787 -2.565 1.233) 3.360 3.612 ( 0.313 3.052 -6.821) 7.480 3.678 ( 0.058 5.673 -6.419) 8.567 3.896 ( 1.302 -0.444 2.328) 2.704 4.051 ( -1.498 -3.622 0.586) 3.963 4.174 ( -0.441 -2.034 0.745) 2.211 4.243 ( -0.069 -6.406 0.876) 6.466 4.375 ( -0.499 -2.224 -2.844) 3.644 4.488 ( 3.840 -2.013 -0.558) 4.371 4.559 ( -2.433 0.868 -2.716) 3.748 4.630 ( -5.667 -4.860 -1.806) 7.681 4.722 ( -1.305 5.592 1.833) 6.027 4.865 ( 0.587 -0.347 0.332) 0.758 4.932 ( -1.004 -3.004 0.045) 3.168 5.025 ( -3.304 -3.303 -0.691) 4.723 5.680 ( -0.670 8.382 -1.855) 8.611 5.999 ( -2.694 4.870 -3.009) 6.327 6.380 ( -2.401 -5.414 2.388) 6.386 6.436 ( -1.916 -5.362 7.394) 9.332 7.382 ( 0.815 2.397 1.546) 2.966 7.440 ( 0.369 5.329 0.779) 5.399 7.978 ( -0.999 -6.965 -0.335) 7.044 8.077 ( 0.561 -6.283 0.373) 6.319 8.126 ( 0.391 -1.895 0.222) 1.948 8.187 ( -0.986 -3.388 -1.575) 3.864 8.193 ( -0.981 0.141 -0.864) 1.315 8.263 ( -1.011 -0.937 -1.579) 2.096 10.341 ( 0.181 4.294 0.434) 4.319 10.723 ( -1.088 -2.134 2.707) 3.614 10.761 ( 2.949 0.025 -2.283) 3.730 10.929 ( -3.029 3.695 -1.695) 5.070 11.579 ( 2.685 0.194 -4.068) 4.878 11.694 ( -0.368 -0.427 0.059) 0.567 11.873 ( -2.050 2.134 0.499) 3.001 12.060 ( 0.524 -0.126 -1.603) 1.691 12.869 ( -0.298 0.157 -0.243) 0.415 12.891 ( 0.417 -0.475 0.220) 0.670 12.923 ( 0.515 0.731 0.381) 0.972 12.958 ( 0.353 -0.032 0.334) 0.487 13.437 ( 0.194 -0.537 0.338) 0.664 13.472 ( 0.532 0.598 -0.195) 0.824 13.480 ( 0.364 -0.041 0.721) 0.809 13.532 ( -0.955 1.058 -0.125) 1.431 23.894 ( -0.260 -0.617 0.940) 1.154 24.027 ( 1.537 2.398 4.290) 5.150 24.277 ( -1.831 -1.678 -2.376) 3.437 24.750 ( 0.673 -10.285 4.964) 11.440 25.075 ( -0.637 -2.437 -0.146) 2.523 25.490 ( 0.998 -7.385 2.689) 7.923 25.593 ( -5.432 12.451 0.749) 13.605 25.852 ( -3.202 9.185 -0.042) 9.727 ======================= Grid point 10 (8/88) ======================= q-point: ( 0.43 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 12.052 -0.178 3.788) 12.635 1.506 ( 12.644 4.952 1.092) 13.623 1.723 ( -4.583 -3.503 0.215) 5.772 1.773 ( -2.673 -0.620 -1.125) 2.966 1.897 ( -4.453 3.452 0.857) 5.699 2.020 ( 1.523 -1.538 2.572) 3.362 2.057 ( 1.918 -3.991 0.955) 4.530 2.156 ( 4.521 -0.641 5.901) 7.461 2.182 ( 1.293 -2.290 5.309) 5.925 2.299 ( 5.739 0.092 0.876) 5.806 2.390 ( 3.089 -2.730 1.766) 4.485 2.410 ( -0.192 -1.593 4.639) 4.909 2.737 ( -1.031 5.725 1.222) 5.944 2.748 ( 3.537 7.800 -3.161) 9.130 2.822 ( -2.566 3.377 1.248) 4.421 2.908 ( -4.782 0.711 1.472) 5.053 3.038 ( 0.036 1.149 2.082) 2.378 3.109 ( 0.379 4.249 0.394) 4.284 3.187 ( -1.939 -0.348 -3.327) 3.866 3.448 ( -1.745 7.247 -4.944) 8.944 3.474 ( 1.971 0.251 -2.023) 2.836 3.575 ( 0.133 -1.638 0.189) 1.655 3.590 ( -0.016 0.265 -0.009) 0.265 3.632 ( 0.572 3.206 -3.785) 4.993 3.939 ( 1.058 -0.844 0.835) 1.591 4.042 ( -0.314 -2.367 1.260) 2.700 4.149 ( -1.720 -1.761 0.076) 2.463 4.265 ( 2.943 -4.205 -1.989) 5.504 4.343 ( -1.907 -0.160 0.377) 1.951 4.482 ( -2.821 -2.707 -0.706) 3.973 4.546 ( -1.217 -1.666 -1.286) 2.431 4.580 ( 5.928 -2.060 -1.067) 6.366 4.669 ( -3.539 5.502 -0.418) 6.556 4.817 ( -4.137 -5.922 -0.154) 7.226 4.940 ( 0.598 -0.491 1.560) 1.741 5.000 ( 0.250 0.284 -0.622) 0.728 5.661 ( -0.151 7.835 -0.695) 7.867 5.937 ( -1.295 4.915 -1.187) 5.220 6.344 ( -1.533 -3.976 0.400) 4.280 6.460 ( -0.622 -5.217 2.356) 5.758 7.400 ( 0.130 2.630 0.463) 2.674 7.457 ( 0.398 4.265 0.545) 4.318 7.967 ( -0.192 -7.355 0.126) 7.359 8.098 ( 0.992 -3.770 1.077) 4.045 8.129 ( -0.317 -0.508 -0.156) 0.619 8.140 ( -1.021 -3.219 -2.320) 4.097 8.183 ( -0.233 -2.526 0.375) 2.564 8.239 ( -0.391 -1.314 -0.672) 1.527 10.347 ( 0.071 4.015 0.209) 4.021 10.723 ( -0.443 -2.159 0.802) 2.346 10.787 ( 1.068 1.561 -0.787) 2.049 10.882 ( -0.906 1.493 -0.518) 1.822 11.588 ( 0.829 0.466 -1.260) 1.578 11.689 ( -0.168 -0.375 0.019) 0.411 11.849 ( -0.774 1.897 0.227) 2.062 12.060 ( 0.337 -1.391 -0.489) 1.512 12.862 ( -0.142 0.224 -0.127) 0.294 12.898 ( 0.143 -0.671 0.082) 0.691 12.934 ( 0.258 0.802 0.197) 0.865 12.966 ( 0.185 0.035 0.218) 0.288 13.444 ( 0.120 -0.507 0.215) 0.564 13.475 ( 0.085 -0.310 -0.290) 0.433 13.496 ( 0.630 0.863 0.435) 1.153 13.513 ( -0.890 1.106 -0.161) 1.429 23.898 ( -0.049 -1.277 0.398) 1.338 24.104 ( 2.058 3.565 4.093) 5.805 24.209 ( -2.170 -2.050 -3.200) 4.376 24.761 ( -0.637 -3.142 0.479) 3.242 25.081 ( 0.301 -5.687 0.368) 5.707 25.510 ( 0.803 -0.826 -1.008) 1.531 25.528 ( -2.917 4.755 2.482) 6.106 25.827 ( -0.335 6.104 0.075) 6.114 ======================= Grid point 14 (9/88) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 0.000 19.288 0.000) 19.288 0.915 ( 0.000 21.900 0.000) 21.900 1.393 ( 0.000 0.821 0.000) 0.821 1.581 ( 0.000 -9.211 0.000) 9.211 1.608 ( 0.000 12.988 0.000) 12.988 1.714 ( 0.000 0.235 0.000) 0.235 1.781 ( 0.000 -3.205 0.000) 3.205 1.975 ( 0.000 6.503 0.000) 6.503 1.990 ( 0.000 -0.740 0.000) 0.740 2.193 ( 0.000 0.550 0.000) 0.550 2.229 ( 0.000 1.910 0.000) 1.910 2.287 ( 0.000 -2.419 0.000) 2.419 2.745 ( 0.000 3.988 0.000) 3.988 2.915 ( 0.000 -0.263 0.000) 0.263 3.037 ( 0.000 4.986 0.000) 4.986 3.042 ( 0.000 0.574 0.000) 0.574 3.137 ( 0.000 2.812 0.000) 2.812 3.253 ( 0.000 -0.380 0.000) 0.380 3.333 ( 0.000 -3.006 0.000) 3.006 3.378 ( 0.000 -4.765 0.000) 4.765 3.446 ( 0.000 2.150 0.000) 2.150 3.539 ( 0.000 -3.093 0.000) 3.093 3.822 ( 0.000 1.198 0.000) 1.198 3.837 ( 0.000 6.669 0.000) 6.669 3.914 ( 0.000 -3.166 0.000) 3.166 3.915 ( 0.000 5.045 0.000) 5.045 4.010 ( 0.000 4.895 0.000) 4.895 4.288 ( 0.000 -1.151 0.000) 1.151 4.311 ( 0.000 -2.398 0.000) 2.398 4.407 ( 0.000 -8.271 0.000) 8.271 4.579 ( 0.000 -1.671 0.000) 1.671 4.581 ( 0.000 4.709 0.000) 4.709 4.662 ( 0.000 -0.957 0.000) 0.957 4.829 ( 0.000 -5.920 0.000) 5.920 4.943 ( 0.000 2.030 0.000) 2.030 5.049 ( 0.000 -4.819 0.000) 4.819 5.858 ( 0.000 1.014 0.000) 1.014 5.967 ( 0.000 -3.328 0.000) 3.328 6.223 ( 0.000 4.433 0.000) 4.433 6.400 ( 0.000 -4.380 0.000) 4.380 7.437 ( 0.000 7.239 0.000) 7.239 7.566 ( 0.000 6.256 0.000) 6.256 7.830 ( 0.000 -11.022 0.000) 11.022 7.882 ( 0.000 -9.931 0.000) 9.931 8.154 ( 0.000 0.783 0.000) 0.783 8.176 ( 0.000 -0.036 0.000) 0.036 8.244 ( 0.000 1.064 0.000) 1.064 8.304 ( 0.000 -1.548 0.000) 1.548 10.438 ( 0.000 6.564 0.000) 6.564 10.672 ( 0.000 -4.649 0.000) 4.649 10.760 ( 0.000 7.593 0.000) 7.593 11.060 ( 0.000 -6.855 0.000) 6.855 11.578 ( 0.000 3.147 0.000) 3.147 11.682 ( 0.000 -1.656 0.000) 1.656 11.981 ( 0.000 3.497 0.000) 3.497 12.132 ( 0.000 -3.606 0.000) 3.606 12.871 ( 0.000 -0.085 0.000) 0.085 12.873 ( 0.000 -0.158 0.000) 0.158 12.926 ( 0.000 0.451 0.000) 0.451 12.941 ( 0.000 -0.250 0.000) 0.250 13.427 ( 0.000 -0.443 0.000) 0.443 13.427 ( 0.000 -0.746 0.000) 0.746 13.490 ( 0.000 2.408 0.000) 2.408 13.558 ( 0.000 -0.479 0.000) 0.479 23.981 ( 0.000 4.346 0.000) 4.346 24.051 ( 0.000 4.907 0.000) 4.907 24.172 ( 0.000 -4.644 0.000) 4.644 24.261 ( 0.000 -4.879 0.000) 4.879 25.241 ( 0.000 0.517 0.000) 0.517 25.278 ( 0.000 -1.727 0.000) 1.727 25.885 ( 0.000 8.845 0.000) 8.845 26.211 ( 0.000 -6.903 0.000) 6.903 ======================= Grid point 15 (10/88) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 11.950 16.783 -1.256) 20.641 1.066 ( 9.064 17.556 9.941) 22.118 1.459 ( 5.856 -1.864 1.524) 6.331 1.641 ( 2.046 -8.259 7.543) 11.371 1.688 ( 5.725 6.387 4.339) 9.612 1.827 ( 4.395 1.386 7.907) 9.152 1.835 ( 3.473 -2.517 3.722) 5.679 1.968 ( 1.979 3.990 0.358) 4.468 2.051 ( 2.815 0.963 2.120) 3.653 2.162 ( -0.431 -0.614 -3.864) 3.936 2.242 ( -0.303 2.176 2.786) 3.549 2.292 ( 0.321 -0.960 1.783) 2.050 2.736 ( -0.198 5.412 0.511) 5.440 2.923 ( 0.865 1.450 -1.285) 2.122 2.987 ( -3.663 1.972 0.665) 4.213 3.036 ( -2.224 0.835 0.564) 2.442 3.122 ( -1.204 3.959 0.202) 4.143 3.246 ( -0.238 2.241 -4.753) 5.260 3.318 ( -1.931 -0.140 -0.883) 2.128 3.353 ( 0.456 -3.526 3.251) 4.818 3.457 ( 3.929 -1.318 -3.437) 5.384 3.505 ( -1.791 -3.294 -2.917) 4.750 3.784 ( -0.362 5.905 -6.557) 8.832 3.852 ( 0.756 4.078 2.648) 4.921 3.886 ( 1.598 3.748 -6.676) 7.821 3.946 ( 0.374 -1.302 2.319) 2.685 4.100 ( 2.367 -3.151 4.962) 6.336 4.204 ( -2.684 1.120 -3.396) 4.471 4.320 ( 0.726 -5.160 -3.150) 6.088 4.407 ( -0.180 -6.959 -0.251) 6.966 4.578 ( -0.981 -2.317 1.077) 2.737 4.640 ( -0.875 0.472 0.411) 1.075 4.694 ( 4.062 2.818 5.774) 7.601 4.865 ( 1.386 -4.122 2.852) 5.200 4.912 ( -2.492 1.405 -0.619) 2.927 5.008 ( -4.008 -5.117 -0.027) 6.500 5.842 ( -0.154 4.787 -0.393) 4.806 6.076 ( 5.767 -6.846 4.475) 10.008 6.194 ( -3.188 3.689 1.161) 5.011 6.379 ( -2.228 -4.544 0.430) 5.079 7.447 ( 0.474 7.110 1.047) 7.202 7.565 ( -0.107 6.964 0.194) 6.967 7.829 ( -0.566 -10.682 0.301) 10.701 7.891 ( 0.720 -9.739 0.433) 9.775 8.110 ( -1.312 0.899 -2.492) 2.956 8.171 ( -0.816 -1.417 -1.197) 2.026 8.233 ( -0.425 0.835 -1.398) 1.683 8.282 ( -1.092 -1.428 -1.966) 2.664 10.442 ( 0.089 6.392 0.467) 6.409 10.668 ( -0.849 -4.300 1.100) 4.519 10.773 ( 1.700 5.961 -0.994) 6.278 11.018 ( -2.601 -4.560 -2.202) 5.693 11.586 ( 1.350 2.559 -1.366) 3.199 11.681 ( -0.170 -1.553 0.086) 1.565 11.964 ( -1.526 3.318 -0.298) 3.664 12.089 ( -2.122 -2.027 -2.292) 3.724 12.874 ( 0.081 -0.051 0.000) 0.096 12.876 ( 0.308 -0.157 0.096) 0.358 12.927 ( 0.154 0.621 0.213) 0.674 12.945 ( 0.325 -0.298 0.180) 0.476 13.425 ( 0.212 -0.191 0.062) 0.292 13.443 ( 0.740 -1.002 0.500) 1.342 13.498 ( 0.279 2.190 0.685) 2.312 13.555 ( -0.390 -0.245 0.178) 0.494 23.943 ( -2.905 3.709 0.480) 4.735 24.025 ( -1.501 2.114 3.617) 4.450 24.256 ( 2.203 -3.039 -1.857) 4.188 24.355 ( 8.093 -7.218 5.972) 12.380 25.182 ( -2.927 3.126 -1.591) 4.568 25.325 ( 1.067 -4.249 2.900) 5.254 25.858 ( -2.447 8.446 -0.585) 8.813 26.104 ( -7.980 -1.846 -1.831) 8.393 ======================= Grid point 16 (11/88) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 13.446 11.112 0.157) 17.444 1.360 ( 12.382 10.890 6.176) 17.608 1.604 ( 5.905 -6.147 1.500) 8.654 1.738 ( 0.674 -4.833 4.276) 6.488 1.848 ( 3.790 -0.763 6.096) 7.218 1.922 ( 1.016 -0.855 6.449) 6.584 1.955 ( 5.709 -0.979 3.010) 6.527 2.051 ( -0.466 -0.447 0.245) 0.691 2.131 ( 6.372 0.858 2.509) 6.902 2.145 ( 0.499 -0.527 1.843) 1.981 2.285 ( 1.997 1.626 3.357) 4.231 2.346 ( 1.293 -0.203 4.710) 4.888 2.783 ( 3.579 7.430 2.867) 8.731 2.882 ( -4.246 3.702 0.555) 5.660 2.955 ( -1.121 0.983 0.991) 1.790 2.984 ( -2.626 0.348 -0.839) 2.778 3.106 ( -1.915 6.072 3.069) 7.068 3.192 ( -1.243 3.772 -1.434) 4.223 3.266 ( -3.045 -0.058 -2.411) 3.884 3.387 ( 1.448 -3.846 -0.558) 4.148 3.484 ( 2.469 -2.329 -0.671) 3.460 3.521 ( 4.645 -1.717 -1.446) 5.159 3.712 ( -0.500 6.227 -7.227) 9.553 3.834 ( -0.918 9.431 -4.607) 10.536 3.904 ( 1.363 0.193 1.425) 1.981 3.961 ( 0.405 -3.521 -0.368) 3.564 4.138 ( -0.692 -1.593 -2.915) 3.393 4.168 ( 2.322 -2.216 0.449) 3.241 4.306 ( 1.094 -4.843 -2.966) 5.784 4.397 ( 0.305 -7.499 -1.226) 7.605 4.544 ( -4.205 -0.127 1.612) 4.505 4.608 ( -1.530 2.213 0.210) 2.698 4.798 ( 0.274 2.300 3.025) 3.810 4.848 ( -3.976 -0.428 -0.924) 4.105 4.892 ( -1.384 -2.572 3.243) 4.364 4.942 ( -0.348 -4.525 -0.516) 4.568 5.843 ( 0.135 8.516 -0.283) 8.522 6.109 ( -2.122 5.914 -3.180) 7.042 6.216 ( 0.986 -10.128 5.045) 11.358 6.336 ( -2.628 -5.415 1.593) 6.226 7.467 ( 0.379 6.417 1.170) 6.533 7.569 ( 0.297 7.725 0.250) 7.735 7.812 ( -1.073 -9.747 -0.015) 9.806 7.917 ( 1.286 -9.451 0.864) 9.577 8.089 ( 0.611 -1.067 -0.745) 1.438 8.133 ( -1.079 -2.203 -2.096) 3.227 8.201 ( -1.175 0.540 -2.143) 2.503 8.240 ( -1.177 -1.330 -1.970) 2.652 10.446 ( -0.128 6.169 0.500) 6.190 10.664 ( -0.782 -4.162 1.221) 4.407 10.800 ( 2.004 3.658 -1.007) 4.290 10.946 ( -2.416 -1.728 -2.144) 3.664 11.600 ( 1.296 1.906 -1.360) 2.676 11.678 ( -0.236 -1.311 0.118) 1.338 11.926 ( -1.875 3.189 -0.210) 3.706 12.041 ( -0.977 -1.918 -1.532) 2.642 12.872 ( -0.138 0.206 -0.183) 0.308 12.883 ( 0.241 -0.363 0.074) 0.442 12.937 ( 0.513 0.681 0.461) 0.969 12.955 ( 0.426 -0.224 0.413) 0.635 13.433 ( 0.353 0.118 0.340) 0.504 13.459 ( 0.438 -0.956 0.330) 1.102 13.508 ( 0.213 1.724 0.319) 1.766 13.545 ( -0.745 0.164 0.002) 0.762 23.910 ( -1.429 2.485 1.168) 3.095 24.047 ( -0.819 -1.369 5.242) 5.479 24.268 ( 1.671 2.127 -3.138) 4.143 24.536 ( 5.202 -10.290 3.749) 12.124 25.122 ( -2.144 5.083 -0.584) 5.548 25.358 ( -0.089 -6.452 2.235) 6.829 25.790 ( -3.880 8.387 -0.461) 9.253 25.957 ( -4.856 1.377 -1.142) 5.175 ======================= Grid point 17 (12/88) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 8.630 4.679 1.774) 9.976 1.588 ( 4.358 2.049 -0.120) 4.817 1.662 ( 1.658 -1.681 2.010) 3.101 1.743 ( -1.679 -2.684 -0.318) 3.182 1.931 ( 3.185 -2.401 0.165) 3.992 1.979 ( 1.672 -2.842 -0.939) 3.429 2.006 ( -2.682 1.883 1.112) 3.460 2.129 ( 3.525 -1.641 4.070) 5.629 2.156 ( 0.353 -0.006 4.299) 4.313 2.268 ( 2.603 -2.726 2.081) 4.306 2.351 ( 1.863 -1.013 1.378) 2.529 2.381 ( -1.003 -1.568 1.630) 2.474 2.823 ( -2.156 4.090 1.412) 4.834 2.878 ( 3.658 5.096 -1.505) 6.451 2.916 ( -3.791 0.877 2.968) 4.893 2.936 ( -0.811 2.920 -1.898) 3.576 3.107 ( -1.160 7.029 2.840) 7.669 3.191 ( -0.376 1.333 -1.244) 1.861 3.204 ( 0.546 3.803 0.870) 3.940 3.411 ( 1.181 -4.556 -0.414) 4.725 3.543 ( 4.073 1.507 -0.946) 4.444 3.593 ( 2.484 0.940 0.950) 2.821 3.628 ( -2.865 5.930 -3.902) 7.656 3.757 ( -2.530 7.766 -2.410) 8.516 3.932 ( 0.560 -5.880 0.065) 5.907 3.972 ( 1.028 2.876 0.043) 3.054 4.092 ( -1.318 -4.388 -1.427) 4.798 4.234 ( 3.963 -0.335 -0.871) 4.071 4.296 ( -0.652 -5.287 -0.970) 5.415 4.405 ( 1.039 -7.419 -0.720) 7.526 4.470 ( -3.441 2.974 1.222) 4.710 4.616 ( 2.767 1.265 -0.377) 3.066 4.712 ( -6.845 -0.158 0.306) 6.854 4.792 ( -1.328 2.411 -0.523) 2.802 4.919 ( 0.214 -1.575 1.601) 2.256 4.958 ( 1.054 -4.216 0.187) 4.350 5.838 ( -0.114 10.145 -0.357) 10.152 6.052 ( -1.279 6.478 -0.884) 6.662 6.229 ( -0.755 -7.947 0.049) 7.983 6.327 ( -0.445 -7.831 1.559) 7.997 7.479 ( 0.060 5.681 0.449) 5.699 7.577 ( 0.264 7.942 0.137) 7.948 7.798 ( -0.386 -9.576 0.056) 9.584 7.948 ( 0.836 -9.790 0.674) 9.849 8.101 ( 0.184 -1.667 -0.334) 1.710 8.108 ( 0.327 -1.249 -0.617) 1.431 8.160 ( -1.045 0.124 -1.097) 1.520 8.207 ( -0.644 -1.780 -0.920) 2.104 10.447 ( -0.098 5.972 0.212) 5.976 10.661 ( -0.311 -4.194 0.514) 4.236 10.827 ( 1.204 2.350 -0.367) 2.665 10.896 ( -1.245 -0.361 -0.852) 1.551 11.608 ( 0.506 1.666 -0.537) 1.822 11.675 ( -0.119 -1.108 0.060) 1.116 11.898 ( -0.762 3.089 -0.047) 3.182 12.021 ( -0.235 -2.638 -0.486) 2.692 12.868 ( -0.097 0.371 -0.104) 0.397 12.886 ( 0.062 -0.555 0.015) 0.558 12.949 ( 0.270 0.690 0.231) 0.776 12.966 ( 0.224 -0.137 0.230) 0.349 13.441 ( 0.196 0.283 0.242) 0.421 13.465 ( 0.075 -0.613 0.048) 0.619 13.515 ( 0.431 1.010 0.107) 1.103 13.529 ( -0.755 0.508 -0.133) 0.920 23.902 ( -0.402 2.013 0.537) 2.122 24.079 ( -0.212 -5.176 2.831) 5.904 24.265 ( 0.597 7.026 -1.893) 7.301 24.620 ( 1.520 -9.928 0.989) 10.092 25.092 ( -0.675 5.169 -0.102) 5.214 25.368 ( -0.209 -7.561 0.895) 7.617 25.724 ( -1.984 8.950 -0.195) 9.170 25.898 ( -1.150 0.879 -0.307) 1.480 ======================= Grid point 21 (13/88) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 0.000 -16.541 0.000) 16.541 1.154 ( 0.000 16.541 0.000) 16.541 1.301 ( 0.000 -17.691 0.000) 17.691 1.301 ( 0.000 17.691 0.000) 17.691 1.733 ( 0.000 -1.750 0.000) 1.750 1.733 ( 0.000 1.750 0.000) 1.750 1.911 ( 0.000 -8.800 0.000) 8.800 1.911 ( 0.000 8.800 0.000) 8.800 2.130 ( 0.000 -7.715 0.000) 7.715 2.130 ( 0.000 7.715 0.000) 7.715 2.252 ( 0.000 -0.795 0.000) 0.795 2.252 ( 0.000 0.795 0.000) 0.795 2.853 ( 0.000 -5.938 0.000) 5.938 2.853 ( 0.000 5.938 0.000) 5.938 3.060 ( 0.000 -1.163 0.000) 1.163 3.060 ( 0.000 1.163 0.000) 1.163 3.244 ( 0.000 -7.572 0.000) 7.572 3.244 ( 0.000 7.572 0.000) 7.572 3.285 ( 0.000 -2.546 0.000) 2.546 3.285 ( 0.000 2.546 0.000) 2.546 3.483 ( 0.000 -2.152 0.000) 2.152 3.483 ( 0.000 2.152 0.000) 2.152 3.857 ( 0.000 -2.383 0.000) 2.383 3.857 ( 0.000 2.383 0.000) 2.383 3.942 ( 0.000 -2.874 0.000) 2.874 3.942 ( 0.000 2.874 0.000) 2.874 4.174 ( 0.000 -10.958 0.000) 10.958 4.174 ( 0.000 10.958 0.000) 10.958 4.287 ( 0.000 -0.760 0.000) 0.760 4.287 ( 0.000 0.760 0.000) 0.760 4.612 ( 0.000 -2.972 0.000) 2.972 4.612 ( 0.000 2.972 0.000) 2.972 4.701 ( 0.000 -6.609 0.000) 6.609 4.701 ( 0.000 6.609 0.000) 6.609 4.984 ( 0.000 -2.307 0.000) 2.307 4.984 ( 0.000 2.307 0.000) 2.307 5.902 ( 0.000 -3.146 0.000) 3.146 5.902 ( 0.000 3.146 0.000) 3.146 6.310 ( 0.000 -4.672 0.000) 4.672 6.310 ( 0.000 4.672 0.000) 4.672 7.615 ( 0.000 -10.714 0.000) 10.714 7.615 ( 0.000 10.714 0.000) 10.714 7.704 ( 0.000 -8.203 0.000) 8.203 7.704 ( 0.000 8.203 0.000) 8.203 8.169 ( 0.000 -0.644 0.000) 0.644 8.169 ( 0.000 0.644 0.000) 0.644 8.271 ( 0.000 -1.689 0.000) 1.689 8.271 ( 0.000 1.689 0.000) 1.689 10.565 ( 0.000 -6.307 0.000) 6.307 10.565 ( 0.000 6.307 0.000) 6.307 10.914 ( 0.000 -8.015 0.000) 8.015 10.914 ( 0.000 8.015 0.000) 8.015 11.638 ( 0.000 -2.838 0.000) 2.838 11.638 ( 0.000 2.838 0.000) 2.838 12.056 ( 0.000 -4.087 0.000) 4.087 12.056 ( 0.000 4.087 0.000) 4.087 12.871 ( 0.000 -0.071 0.000) 0.071 12.871 ( 0.000 0.071 0.000) 0.071 12.934 ( 0.000 -0.403 0.000) 0.403 12.934 ( 0.000 0.403 0.000) 0.403 13.421 ( 0.000 -0.069 0.000) 0.069 13.421 ( 0.000 0.069 0.000) 0.069 13.534 ( 0.000 -1.899 0.000) 1.899 13.534 ( 0.000 1.899 0.000) 1.899 24.075 ( 0.000 -5.158 0.000) 5.158 24.075 ( 0.000 5.158 0.000) 5.158 24.156 ( 0.000 -5.737 0.000) 5.737 24.156 ( 0.000 5.737 0.000) 5.737 25.254 ( 0.000 -0.868 0.000) 0.868 25.254 ( 0.000 0.868 0.000) 0.868 26.058 ( 0.000 -8.696 0.000) 8.696 26.058 ( 0.000 8.696 0.000) 8.696 ======================= Grid point 23 (14/88) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 8.680 -14.983 -0.787) 17.333 1.243 ( 8.680 14.983 -0.787) 17.333 1.396 ( 5.310 -15.731 6.986) 18.013 1.396 ( 5.310 15.731 6.986) 18.013 1.782 ( 1.592 -2.251 5.348) 6.017 1.782 ( 1.592 2.251 5.348) 6.017 1.945 ( 1.610 -5.803 4.112) 7.292 1.945 ( 1.610 5.803 4.112) 7.292 2.120 ( 1.318 -4.198 -4.305) 6.156 2.120 ( 1.318 4.198 -4.305) 6.156 2.273 ( 0.875 -1.256 2.594) 3.013 2.273 ( 0.875 1.256 2.594) 3.013 2.868 ( 1.191 -6.556 0.887) 6.722 2.868 ( 1.191 6.556 0.887) 6.722 3.023 ( -3.526 -1.404 0.223) 3.802 3.023 ( -3.526 1.404 0.223) 3.802 3.245 ( -0.649 -6.466 1.740) 6.727 3.245 ( -0.649 6.466 1.740) 6.727 3.294 ( 0.423 -2.087 0.027) 2.130 3.294 ( 0.423 2.087 0.027) 2.130 3.452 ( 0.198 -1.583 -4.171) 4.466 3.452 ( 0.198 1.583 -4.171) 4.466 3.857 ( 1.451 -2.741 -4.254) 5.265 3.857 ( 1.451 2.741 -4.254) 5.265 3.954 ( 0.672 -5.025 1.236) 5.219 3.954 ( 0.672 5.025 1.236) 5.219 4.157 ( -0.359 -9.470 -2.881) 9.905 4.157 ( -0.359 9.470 -2.881) 9.905 4.270 ( -0.715 -4.418 -0.449) 4.498 4.270 ( -0.715 4.418 -0.449) 4.498 4.609 ( -1.093 -3.093 1.824) 3.753 4.609 ( -1.093 3.093 1.824) 3.753 4.770 ( 3.132 -4.859 4.509) 7.331 4.770 ( 3.132 4.859 4.509) 7.331 4.941 ( -3.602 -1.945 -0.837) 4.179 4.941 ( -3.602 1.945 -0.837) 4.179 5.946 ( 2.696 -6.082 2.594) 7.141 5.946 ( 2.696 6.082 2.594) 7.141 6.284 ( -2.220 -5.006 -0.636) 5.513 6.284 ( -2.220 5.006 -0.636) 5.513 7.620 ( 0.022 -10.366 0.739) 10.393 7.620 ( 0.022 10.366 0.739) 10.393 7.712 ( 0.640 -8.449 0.413) 8.483 7.712 ( 0.640 8.449 0.413) 8.483 8.140 ( -1.496 -1.802 -2.351) 3.319 8.140 ( -1.496 1.802 -2.351) 3.319 8.254 ( -0.721 -1.326 -1.764) 2.322 8.254 ( -0.721 1.326 -1.764) 2.322 10.566 ( -0.281 -6.110 0.631) 6.149 10.566 ( -0.281 6.110 0.631) 6.149 10.902 ( -0.352 -6.843 -1.404) 6.995 10.902 ( -0.352 6.843 -1.404) 6.995 11.640 ( 0.202 -2.654 -0.145) 2.666 11.640 ( 0.202 2.654 -0.145) 2.666 12.032 ( -1.624 -3.535 -1.049) 4.029 12.032 ( -1.624 3.535 -1.049) 4.029 12.874 ( 0.213 -0.044 0.051) 0.224 12.874 ( 0.213 0.044 0.051) 0.224 12.938 ( 0.249 -0.481 0.260) 0.601 12.938 ( 0.249 0.481 0.260) 0.601 13.428 ( 0.501 -0.532 0.333) 0.803 13.428 ( 0.501 0.532 0.333) 0.803 13.537 ( -0.058 -1.614 0.439) 1.673 13.537 ( -0.058 1.614 0.439) 1.673 24.017 ( -4.088 -3.110 2.277) 5.618 24.017 ( -4.088 3.110 2.277) 5.618 24.253 ( 6.417 -3.174 0.452) 7.174 24.253 ( 6.417 3.174 0.452) 7.174 25.249 ( -0.934 -3.688 0.811) 3.890 25.249 ( -0.934 3.688 0.811) 3.890 26.010 ( -3.902 -6.931 -1.059) 8.024 26.010 ( -3.902 6.931 -1.059) 8.024 ======================= Grid point 25 (15/88) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 8.729 -11.922 -1.128) 14.819 1.413 ( 8.729 11.922 -1.128) 14.819 1.578 ( 6.583 -10.571 5.101) 13.457 1.578 ( 6.583 10.571 5.101) 13.457 1.866 ( 1.562 -2.388 4.373) 5.222 1.866 ( 1.562 2.388 4.373) 5.222 2.008 ( 1.654 -3.581 2.250) 4.541 2.008 ( 1.654 3.581 2.250) 4.541 2.141 ( 2.410 -0.596 1.926) 3.142 2.141 ( 2.410 0.596 1.926) 3.142 2.323 ( 1.176 -1.949 3.006) 3.771 2.323 ( 1.176 1.949 3.006) 3.771 2.911 ( 1.490 -4.272 1.446) 4.750 2.911 ( 1.490 4.272 1.446) 4.750 2.952 ( -3.760 -1.427 0.969) 4.137 2.952 ( -3.760 1.427 0.969) 4.137 3.243 ( -2.290 -2.795 0.465) 3.643 3.243 ( -2.290 2.795 0.465) 3.643 3.279 ( -0.538 -6.383 1.317) 6.539 3.279 ( -0.538 6.383 1.317) 6.539 3.477 ( 5.462 -1.883 -1.903) 6.083 3.477 ( 5.462 1.883 -1.903) 6.083 3.824 ( -0.515 -5.457 -4.851) 7.320 3.824 ( -0.515 5.457 -4.851) 7.320 3.971 ( 0.960 -1.954 -2.251) 3.132 3.971 ( 0.960 1.954 -2.251) 3.132 4.124 ( -0.458 -1.421 -1.294) 1.975 4.124 ( -0.458 1.421 -1.294) 1.975 4.268 ( 1.550 -3.181 -1.356) 3.790 4.268 ( 1.550 3.181 -1.356) 3.790 4.599 ( -2.787 -3.382 3.354) 5.519 4.599 ( -2.787 3.382 3.354) 5.519 4.830 ( -2.379 -2.187 1.252) 3.465 4.830 ( -2.379 2.187 1.252) 3.465 4.875 ( -0.107 -2.423 0.432) 2.464 4.875 ( -0.107 2.423 0.432) 2.464 6.018 ( 1.804 -9.735 2.095) 10.120 6.018 ( 1.804 9.735 2.095) 10.120 6.225 ( -2.787 -5.887 -0.837) 6.567 6.225 ( -2.787 5.887 -0.837) 6.567 7.623 ( -0.415 -9.347 0.581) 9.374 7.623 ( -0.415 9.347 0.581) 9.374 7.733 ( 0.954 -9.190 0.556) 9.256 7.733 ( 0.954 9.190 0.556) 9.256 8.096 ( -0.461 -1.465 -1.949) 2.481 8.096 ( -0.461 1.465 -1.949) 2.481 8.216 ( -1.212 -1.013 -2.195) 2.704 8.216 ( -1.212 1.013 -2.195) 2.704 10.565 ( -0.441 -5.851 0.749) 5.915 10.565 ( -0.441 5.851 0.749) 5.915 10.882 ( -0.195 -4.304 -1.486) 4.558 10.882 ( -0.195 4.304 -1.486) 4.558 11.643 ( 0.263 -2.246 -0.191) 2.269 11.643 ( 0.263 2.246 -0.191) 2.269 11.989 ( -1.589 -3.182 -0.916) 3.673 11.989 ( -1.589 3.182 -0.916) 3.673 12.877 ( 0.060 -0.263 -0.061) 0.277 12.877 ( 0.060 0.263 -0.061) 0.277 12.949 ( 0.485 -0.479 0.472) 0.829 12.949 ( 0.485 0.479 0.472) 0.829 13.442 ( 0.489 -0.765 0.425) 1.002 13.442 ( 0.489 0.765 0.425) 1.002 13.536 ( -0.324 -1.070 0.151) 1.128 13.536 ( -0.324 1.070 0.151) 1.128 23.981 ( -2.164 -4.354 2.512) 5.473 23.981 ( -2.164 4.354 2.512) 5.473 24.366 ( 4.593 -7.291 0.361) 8.625 24.366 ( 4.593 7.291 0.361) 8.625 25.235 ( -1.297 -6.256 0.966) 6.461 25.235 ( -1.297 6.256 0.966) 6.461 25.919 ( -3.921 -4.782 -1.019) 6.267 25.919 ( -3.921 4.782 -1.019) 6.267 ======================= Grid point 27 (16/88) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 3.778 -6.393 -0.393) 7.436 1.529 ( 3.778 6.393 -0.393) 7.436 1.685 ( 0.758 -2.528 1.718) 3.149 1.685 ( 0.758 2.528 1.718) 3.149 1.917 ( 3.168 -2.309 -1.528) 4.207 1.917 ( 3.168 2.309 -1.528) 4.207 2.073 ( 1.404 -3.776 2.403) 4.691 2.073 ( 1.404 3.776 2.403) 4.691 2.203 ( 0.577 -3.669 3.587) 5.163 2.203 ( 0.577 3.669 3.587) 5.163 2.353 ( -0.091 -1.045 0.977) 1.433 2.353 ( -0.091 1.045 0.977) 1.433 2.896 ( -1.980 -2.934 1.697) 3.925 2.896 ( -1.980 2.934 1.697) 3.925 2.940 ( 0.253 -1.425 -1.158) 1.854 2.940 ( 0.253 1.425 -1.158) 1.854 3.204 ( -0.958 -0.911 0.424) 1.389 3.204 ( -0.958 0.911 0.424) 1.389 3.298 ( 0.396 -6.961 0.911) 7.032 3.298 ( 0.396 6.961 0.911) 7.032 3.591 ( 6.015 -1.758 0.762) 6.313 3.591 ( 6.015 1.758 0.762) 6.313 3.744 ( -3.816 -6.792 -2.877) 8.305 3.744 ( -3.816 6.792 -2.877) 8.305 3.957 ( 0.318 -7.063 -2.007) 7.350 3.957 ( 0.318 7.063 -2.007) 7.350 4.114 ( -0.188 -8.515 -0.090) 8.518 4.114 ( -0.188 8.515 -0.090) 8.518 4.299 ( 2.141 -4.012 -0.928) 4.642 4.299 ( 2.141 4.012 -0.928) 4.642 4.565 ( -2.612 -5.170 1.785) 6.061 4.565 ( -2.612 5.170 1.785) 6.061 4.777 ( -1.621 -4.440 -0.377) 4.742 4.777 ( -1.621 4.440 -0.377) 4.742 4.898 ( 0.502 -0.653 0.695) 1.078 4.898 ( 0.502 0.653 0.695) 1.078 6.043 ( 0.015 -10.677 0.330) 10.682 6.043 ( 0.015 10.677 0.330) 10.682 6.182 ( -0.987 -7.031 -0.214) 7.103 6.182 ( -0.987 7.031 -0.214) 7.103 7.618 ( -0.273 -8.557 0.172) 8.563 7.618 ( -0.273 8.557 0.172) 8.563 7.753 ( 0.509 -9.922 0.284) 9.939 7.753 ( 0.509 9.922 0.284) 9.939 8.089 ( 0.476 -0.444 -0.344) 0.737 8.089 ( 0.476 0.444 -0.344) 0.737 8.176 ( -0.960 -1.340 -1.216) 2.049 8.176 ( -0.960 1.340 -1.216) 2.049 10.563 ( -0.225 -5.772 0.319) 5.785 10.563 ( -0.225 5.772 0.319) 5.785 10.870 ( -0.019 -2.012 -0.583) 2.095 10.870 ( -0.019 2.012 -0.583) 2.095 11.645 ( 0.120 -1.915 -0.089) 1.921 11.645 ( 0.120 1.915 -0.089) 1.921 11.962 ( -0.609 -3.324 -0.316) 3.395 11.962 ( -0.609 3.324 -0.316) 3.395 12.876 ( -0.021 -0.460 -0.052) 0.463 12.876 ( -0.021 0.460 -0.052) 0.463 12.960 ( 0.258 -0.432 0.241) 0.558 12.960 ( 0.258 0.432 0.241) 0.558 13.452 ( 0.214 -0.712 0.223) 0.777 13.452 ( 0.214 0.712 0.223) 0.777 13.530 ( -0.237 -0.433 -0.066) 0.498 13.530 ( -0.237 0.433 -0.066) 0.498 23.973 ( -0.626 -5.042 1.084) 5.195 23.973 ( -0.626 5.042 1.084) 5.195 24.427 ( 1.595 -9.485 0.056) 9.619 24.427 ( 1.595 9.485 0.056) 9.619 25.222 ( -0.632 -7.493 0.412) 7.531 25.222 ( -0.632 7.493 0.412) 7.531 25.859 ( -1.491 -4.725 -0.377) 4.969 25.859 ( -1.491 4.725 -0.377) 4.969 ======================= Grid point 49 (17/88) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 6.020 0.000 23.224) 23.991 0.513 ( -17.534 0.000 23.111) 29.010 1.001 ( 9.946 0.000 44.522) 45.619 1.727 ( 7.869 0.000 2.142) 8.155 1.768 ( 0.304 0.000 -2.138) 2.159 1.773 ( -0.346 0.000 2.159) 2.187 1.943 ( -0.191 0.000 6.845) 6.848 1.951 ( 3.747 0.000 2.525) 4.519 2.013 ( 3.375 0.000 4.468) 5.599 2.070 ( 4.666 0.000 -2.993) 5.544 2.228 ( 0.285 0.000 3.289) 3.301 2.322 ( 2.057 0.000 1.178) 2.370 2.635 ( -0.221 0.000 -1.440) 1.457 2.802 ( -6.495 0.000 -2.340) 6.904 2.935 ( -1.437 0.000 0.771) 1.631 2.943 ( 2.775 0.000 -0.217) 2.784 3.003 ( 2.993 0.000 -1.256) 3.246 3.070 ( 0.892 0.000 -1.091) 1.409 3.302 ( -0.522 0.000 -1.129) 1.244 3.344 ( 2.676 0.000 -5.915) 6.492 3.505 ( -2.488 0.000 0.178) 2.494 3.508 ( -1.403 0.000 -3.109) 3.411 3.647 ( -3.650 0.000 -0.079) 3.651 3.687 ( -6.201 0.000 -6.324) 8.857 3.878 ( 0.636 0.000 1.201) 1.359 4.170 ( 0.131 0.000 8.460) 8.461 4.180 ( -0.841 0.000 -5.138) 5.206 4.329 ( 8.928 0.000 0.341) 8.935 4.409 ( 0.141 0.000 -2.740) 2.743 4.550 ( 3.578 0.000 3.238) 4.825 4.589 ( -1.410 0.000 -3.043) 3.353 4.687 ( 8.033 0.000 -8.078) 11.392 4.704 ( -2.335 0.000 1.271) 2.658 4.884 ( -3.714 0.000 -0.639) 3.769 4.928 ( -5.391 0.000 1.675) 5.645 5.181 ( 0.063 0.000 -2.542) 2.543 5.575 ( -0.996 0.000 1.071) 1.462 6.004 ( -0.002 0.000 -4.576) 4.576 6.504 ( 0.673 0.000 0.883) 1.110 6.638 ( 16.150 0.000 -0.091) 16.150 7.307 ( 1.268 0.000 2.513) 2.815 7.380 ( 0.108 0.000 0.749) 0.756 8.089 ( -0.766 0.000 -0.419) 0.873 8.135 ( -0.128 0.000 -0.520) 0.535 8.166 ( -0.265 0.000 -0.870) 0.910 8.212 ( -0.945 0.000 -0.898) 1.304 8.246 ( 5.792 0.000 -0.347) 5.802 8.289 ( -0.271 0.000 -1.962) 1.980 10.300 ( -0.456 0.000 1.671) 1.732 10.565 ( 6.625 0.000 -3.282) 7.393 10.786 ( 0.248 0.000 1.459) 1.480 10.828 ( -0.159 0.000 0.019) 0.160 11.720 ( -1.026 0.000 1.296) 1.653 11.812 ( -24.646 0.000 0.838) 24.660 11.885 ( 2.767 0.000 -1.618) 3.205 12.003 ( -1.486 0.000 -1.260) 1.948 12.880 ( 0.274 0.000 0.412) 0.495 12.883 ( -0.240 0.000 0.495) 0.551 12.910 ( -0.453 0.000 0.762) 0.887 12.964 ( -1.400 0.000 0.211) 1.416 13.429 ( 0.857 0.000 0.179) 0.876 13.450 ( -0.371 0.000 -0.169) 0.408 13.472 ( 0.612 0.000 0.895) 1.084 13.538 ( 0.067 0.000 -0.552) 0.556 23.890 ( -0.299 0.000 0.017) 0.300 23.903 ( 3.014 0.000 -1.928) 3.578 24.443 ( -3.912 0.000 6.693) 7.752 25.091 ( 34.031 0.000 -4.786) 34.366 25.176 ( 0.268 0.000 -2.181) 2.197 25.298 ( -0.928 0.000 -3.572) 3.690 25.515 ( 2.963 0.000 5.737) 6.457 25.687 ( 1.163 0.000 2.106) 2.406 ======================= Grid point 50 (18/88) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 10.926 0.000 12.188) 16.368 0.917 ( 13.486 0.000 18.432) 22.839 1.650 ( 16.027 0.000 34.335) 37.891 1.752 ( 0.842 0.000 -3.113) 3.225 1.793 ( 2.519 0.000 1.422) 2.892 1.912 ( 7.804 0.000 0.447) 7.817 2.033 ( 1.010 0.000 2.255) 2.471 2.046 ( -0.940 0.000 -0.829) 1.253 2.078 ( 2.924 0.000 10.871) 11.257 2.134 ( 3.867 0.000 -1.804) 4.267 2.298 ( 3.257 0.000 5.952) 6.785 2.402 ( 2.581 0.000 5.488) 6.064 2.625 ( 0.758 0.000 -1.946) 2.088 2.717 ( -3.483 0.000 -2.251) 4.147 2.963 ( 2.931 0.000 -2.684) 3.974 2.998 ( 2.103 0.000 1.470) 2.565 3.024 ( -1.335 0.000 2.216) 2.587 3.072 ( -0.462 0.000 -1.337) 1.414 3.303 ( 0.586 0.000 -0.589) 0.831 3.335 ( 2.861 0.000 -9.023) 9.465 3.426 ( -3.721 0.000 -3.490) 5.102 3.462 ( -0.090 0.000 -3.567) 3.568 3.536 ( -1.497 0.000 -6.624) 6.791 3.610 ( -0.387 0.000 1.779) 1.821 3.912 ( 0.916 0.000 2.030) 2.227 4.102 ( -2.111 0.000 -2.178) 3.033 4.232 ( 0.987 0.000 1.011) 1.413 4.382 ( -0.357 0.000 -2.066) 2.097 4.414 ( 1.200 0.000 1.596) 1.997 4.514 ( -7.452 0.000 -5.403) 9.204 4.540 ( -1.306 0.000 -2.029) 2.413 4.668 ( -1.920 0.000 2.063) 2.818 4.741 ( 3.025 0.000 -3.612) 4.712 4.845 ( -0.009 0.000 -0.715) 0.715 4.866 ( 0.619 0.000 -1.349) 1.484 5.131 ( -2.894 0.000 -1.761) 3.388 5.570 ( -0.502 0.000 1.090) 1.200 5.941 ( -1.330 0.000 -4.977) 5.151 6.499 ( -2.280 0.000 1.256) 2.603 6.669 ( -4.353 0.000 -0.163) 4.356 7.366 ( 1.853 0.000 2.844) 3.394 7.385 ( -0.221 0.000 0.425) 0.479 8.067 ( -0.944 0.000 -0.144) 0.955 8.130 ( -0.289 0.000 0.229) 0.369 8.164 ( 0.700 0.000 -0.731) 1.012 8.173 ( -1.613 0.000 -2.000) 2.570 8.264 ( -0.356 0.000 -1.750) 1.786 8.274 ( -0.524 0.000 -1.261) 1.366 10.309 ( -0.268 0.000 1.590) 1.613 10.649 ( 5.359 0.000 -6.563) 8.473 10.808 ( 0.272 0.000 1.120) 1.152 10.833 ( 0.601 0.000 -0.089) 0.608 11.567 ( -6.066 0.000 4.922) 7.811 11.736 ( -0.847 0.000 2.713) 2.842 11.890 ( -1.364 0.000 -0.568) 1.478 11.997 ( 2.563 0.000 -1.517) 2.978 12.878 ( -0.690 0.000 0.379) 0.788 12.893 ( 0.507 0.000 0.548) 0.747 12.912 ( 0.071 0.000 0.652) 0.655 12.961 ( 0.026 0.000 0.712) 0.713 13.444 ( 0.656 0.000 0.050) 0.657 13.447 ( 0.120 0.000 -0.089) 0.149 13.488 ( 0.269 0.000 0.575) 0.635 13.530 ( -0.437 0.000 -0.431) 0.614 23.893 ( 0.726 0.000 -0.817) 1.093 23.954 ( 3.480 0.000 -0.834) 3.579 24.406 ( -5.781 0.000 5.442) 7.940 24.961 ( -7.522 0.000 -2.764) 8.014 25.253 ( -0.251 0.000 -3.188) 3.198 25.417 ( 4.972 0.000 -7.887) 9.323 25.599 ( 1.338 0.000 6.821) 6.951 25.706 ( -0.861 0.000 1.173) 1.455 ======================= Grid point 51 (19/88) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 20.513 0.000 2.944) 20.723 1.311 ( 11.312 0.000 13.526) 17.633 1.726 ( 2.021 0.000 -6.620) 6.922 1.832 ( -1.596 0.000 -2.021) 2.575 1.969 ( 0.427 0.000 -4.633) 4.653 2.012 ( -5.573 0.000 1.694) 5.825 2.028 ( 4.969 0.000 -2.961) 5.784 2.148 ( 3.554 0.000 5.823) 6.821 2.202 ( 9.046 0.000 8.706) 12.555 2.245 ( 2.595 0.000 7.209) 7.662 2.427 ( 3.727 0.000 4.602) 5.922 2.473 ( 0.614 0.000 3.370) 3.426 2.628 ( 0.888 0.000 -0.029) 0.889 2.631 ( -2.824 0.000 -0.447) 2.859 2.963 ( -5.659 0.000 1.207) 5.786 2.976 ( 1.252 0.000 -3.348) 3.575 3.023 ( -3.182 0.000 -0.388) 3.206 3.061 ( 0.349 0.000 2.422) 2.447 3.243 ( -4.365 0.000 -1.483) 4.610 3.292 ( 1.018 0.000 -6.216) 6.299 3.403 ( 3.658 0.000 -0.695) 3.723 3.440 ( 2.293 0.000 -4.966) 5.470 3.512 ( 3.389 0.000 -3.947) 5.203 3.664 ( 2.036 0.000 4.966) 5.368 3.935 ( 0.935 0.000 -1.237) 1.551 4.064 ( -1.131 0.000 -0.234) 1.155 4.222 ( -1.491 0.000 -1.931) 2.440 4.299 ( -5.039 0.000 -8.258) 9.674 4.381 ( 2.606 0.000 -0.641) 2.683 4.447 ( -0.513 0.000 3.781) 3.816 4.502 ( -0.536 0.000 -1.510) 1.602 4.673 ( -6.254 0.000 -0.349) 6.263 4.687 ( -0.058 0.000 4.478) 4.478 4.883 ( 3.236 0.000 0.251) 3.246 4.896 ( 3.185 0.000 -3.397) 4.656 5.050 ( -4.825 0.000 0.816) 4.893 5.577 ( -0.128 0.000 1.750) 1.755 5.878 ( -0.735 0.000 -3.490) 3.566 6.443 ( -3.930 0.000 -0.033) 3.930 6.576 ( -4.221 0.000 -1.141) 4.373 7.378 ( -0.443 0.000 -0.360) 0.571 7.415 ( 0.890 0.000 1.269) 1.549 8.059 ( -0.216 0.000 0.866) 0.893 8.124 ( -1.184 0.000 -1.836) 2.185 8.128 ( -0.412 0.000 0.876) 0.968 8.175 ( 0.908 0.000 -0.728) 1.164 8.243 ( -1.433 0.000 -0.452) 1.503 8.248 ( -0.039 0.000 -0.671) 0.672 10.316 ( -0.341 0.000 1.191) 1.239 10.665 ( 2.766 0.000 -5.614) 6.259 10.815 ( -0.695 0.000 1.759) 1.892 10.847 ( 0.887 0.000 -0.111) 0.894 11.551 ( -0.129 0.000 1.752) 1.757 11.747 ( -1.273 0.000 4.132) 4.324 11.849 ( -1.649 0.000 -1.094) 1.979 12.045 ( 2.443 0.000 0.245) 2.456 12.868 ( -0.605 0.000 0.308) 0.679 12.905 ( 0.294 0.000 0.275) 0.403 12.921 ( 0.213 0.000 0.374) 0.430 12.969 ( 0.066 0.000 0.487) 0.491 13.449 ( 0.223 0.000 -0.316) 0.387 13.456 ( 0.659 0.000 -0.184) 0.684 13.494 ( 0.050 0.000 0.307) 0.311 13.515 ( -0.876 0.000 -0.125) 0.885 23.897 ( 0.923 0.000 -1.984) 2.188 24.013 ( 3.119 0.000 -0.736) 3.205 24.330 ( -6.069 0.000 3.302) 6.909 24.832 ( -4.408 0.000 -0.465) 4.433 25.236 ( 0.740 0.000 -1.213) 1.421 25.363 ( -2.714 0.000 -4.035) 4.863 25.679 ( -1.825 0.000 -0.981) 2.072 25.680 ( 1.916 0.000 2.397) 3.068 ======================= Grid point 52 (20/88) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 18.281 0.000 -0.449) 18.287 1.494 ( -4.497 0.000 0.292) 4.506 1.699 ( -0.371 0.000 -5.042) 5.056 1.766 ( 1.885 0.000 3.338) 3.834 1.832 ( -10.137 0.000 -6.442) 12.010 1.972 ( 1.324 0.000 -6.841) 6.968 2.037 ( 1.582 0.000 -7.451) 7.617 2.145 ( -0.726 0.000 -3.342) 3.419 2.241 ( -2.308 0.000 -4.991) 5.499 2.309 ( -2.395 0.000 -4.908) 5.462 2.441 ( -4.739 0.000 -2.802) 5.505 2.500 ( -2.783 0.000 3.055) 4.132 2.642 ( 1.812 0.000 2.459) 3.054 2.677 ( 2.340 0.000 1.274) 2.664 2.834 ( -6.276 0.000 0.285) 6.283 2.906 ( -5.388 0.000 -0.375) 5.401 3.015 ( 3.025 0.000 -1.483) 3.369 3.041 ( -1.669 0.000 -2.688) 3.164 3.207 ( 0.627 0.000 2.171) 2.260 3.349 ( 5.357 0.000 7.411) 9.144 3.463 ( 4.643 0.000 -5.185) 6.960 3.488 ( 2.064 0.000 4.283) 4.754 3.572 ( 4.511 0.000 0.208) 4.516 3.746 ( -0.227 0.000 7.525) 7.528 3.926 ( 0.973 0.000 -4.673) 4.773 4.036 ( -0.963 0.000 -1.066) 1.436 4.168 ( -2.038 0.000 -0.035) 2.039 4.218 ( 2.771 0.000 -4.770) 5.516 4.461 ( 3.997 0.000 0.488) 4.027 4.474 ( -1.710 0.000 4.863) 5.155 4.513 ( 2.659 0.000 1.346) 2.980 4.562 ( -3.876 0.000 0.583) 3.920 4.713 ( -1.023 0.000 1.905) 2.162 4.892 ( 1.287 0.000 -4.613) 4.789 4.953 ( 2.438 0.000 0.918) 2.605 4.976 ( -4.615 0.000 3.794) 5.974 5.595 ( -0.232 0.000 2.465) 2.476 5.859 ( 1.234 0.000 -1.482) 1.929 6.371 ( -2.046 0.000 -1.781) 2.712 6.491 ( -2.542 0.000 -3.681) 4.473 7.366 ( -0.069 0.000 -0.864) 0.867 7.418 ( -0.667 0.000 -0.950) 1.161 8.058 ( -0.670 0.000 0.336) 0.749 8.119 ( 1.240 0.000 1.099) 1.658 8.128 ( -0.556 0.000 1.029) 1.169 8.173 ( -0.036 0.000 -1.712) 1.712 8.227 ( -0.258 0.000 0.712) 0.757 8.251 ( 0.438 0.000 0.398) 0.592 10.317 ( -0.603 0.000 0.836) 1.030 10.662 ( 2.252 0.000 -5.029) 5.510 10.819 ( -0.751 0.000 2.293) 2.413 10.861 ( 0.526 0.000 0.016) 0.526 11.575 ( 1.274 0.000 0.908) 1.564 11.766 ( -1.641 0.000 6.078) 6.295 11.815 ( -0.528 0.000 -1.625) 1.709 12.084 ( 0.761 0.000 1.342) 1.543 12.864 ( -0.175 0.000 0.444) 0.477 12.909 ( -0.023 0.000 -0.057) 0.062 12.924 ( -0.067 0.000 0.017) 0.070 12.970 ( -0.252 0.000 0.072) 0.262 13.447 ( 0.055 0.000 -0.755) 0.757 13.470 ( 0.995 0.000 0.026) 0.996 13.494 ( -1.109 0.000 -0.322) 1.155 13.498 ( 0.020 0.000 0.458) 0.459 23.890 ( 0.838 0.000 -3.144) 3.254 24.032 ( -0.085 0.000 -3.037) 3.039 24.272 ( -2.029 0.000 3.258) 3.838 24.779 ( -1.385 0.000 0.540) 1.487 25.261 ( 1.583 0.000 1.628) 2.270 25.267 ( -2.789 0.000 -4.986) 5.713 25.628 ( -1.184 0.000 -3.402) 3.602 25.708 ( 0.024 0.000 -0.410) 0.411 ======================= Grid point 53 (21/88) ======================= q-point: (-0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -14.881 0.000 -4.321) 15.495 1.395 ( -19.652 0.000 -12.274) 23.170 1.648 ( 3.200 0.000 -5.051) 5.979 1.744 ( 6.339 0.000 -2.796) 6.928 1.813 ( -1.845 0.000 -13.448) 13.574 1.891 ( -0.570 0.000 -2.354) 2.422 1.957 ( -1.041 0.000 -5.580) 5.676 2.004 ( -14.988 0.000 -1.654) 15.079 2.118 ( -2.240 0.000 -9.278) 9.545 2.191 ( 2.024 0.000 -3.153) 3.747 2.314 ( -4.470 0.000 -3.888) 5.925 2.371 ( -10.941 0.000 -0.616) 10.958 2.690 ( 1.451 0.000 -1.506) 2.092 2.712 ( 3.125 0.000 2.033) 3.729 2.792 ( -0.598 0.000 -1.058) 1.216 2.856 ( 2.019 0.000 -0.547) 2.092 2.988 ( -0.909 0.000 -1.805) 2.020 3.075 ( 3.509 0.000 0.234) 3.516 3.297 ( 3.984 0.000 6.068) 7.259 3.495 ( 3.531 0.000 -4.025) 5.355 3.519 ( -1.726 0.000 1.312) 2.168 3.538 ( 3.691 0.000 6.892) 7.818 3.679 ( 3.260 0.000 5.429) 6.332 3.780 ( -3.442 0.000 7.836) 8.558 3.892 ( -0.381 0.000 -2.568) 2.596 4.040 ( 2.841 0.000 -1.070) 3.036 4.159 ( 0.622 0.000 -0.039) 0.623 4.258 ( 1.671 0.000 -0.887) 1.892 4.448 ( -1.993 0.000 3.468) 4.000 4.530 ( 3.200 0.000 1.460) 3.517 4.583 ( -0.257 0.000 1.794) 1.812 4.595 ( 4.303 0.000 1.895) 4.702 4.671 ( -3.155 0.000 0.999) 3.309 4.861 ( -0.097 0.000 -3.770) 3.772 4.980 ( 1.979 0.000 3.257) 3.811 4.990 ( 1.311 0.000 -1.384) 1.906 5.608 ( -0.873 0.000 2.394) 2.548 5.890 ( 3.100 0.000 -1.678) 3.525 6.352 ( 1.868 0.000 -1.641) 2.486 6.399 ( -2.490 0.000 -6.555) 7.012 7.361 ( 0.386 0.000 -0.955) 1.030 7.377 ( -1.825 0.000 -2.322) 2.953 8.057 ( 0.106 0.000 0.951) 0.957 8.128 ( -0.351 0.000 0.979) 1.040 8.152 ( -0.130 0.000 -1.816) 1.821 8.166 ( 1.681 0.000 1.902) 2.538 8.235 ( 0.064 0.000 0.876) 0.879 8.270 ( 0.836 0.000 0.940) 1.258 10.310 ( -0.867 0.000 0.837) 1.205 10.660 ( 2.381 0.000 -4.981) 5.521 10.826 ( -0.740 0.000 1.941) 2.078 10.864 ( -0.269 0.000 0.188) 0.328 11.616 ( 1.925 0.000 1.417) 2.391 11.801 ( 0.926 0.000 -2.204) 2.391 11.804 ( -1.610 0.000 9.364) 9.501 12.097 ( -0.738 0.000 1.394) 1.578 12.869 ( 0.107 0.000 0.631) 0.641 12.903 ( -0.370 0.000 -0.267) 0.457 12.920 ( -0.348 0.000 -0.027) 0.349 12.963 ( -0.334 0.000 -0.066) 0.340 13.439 ( 0.041 0.000 -0.838) 0.839 13.465 ( -0.981 0.000 -1.012) 1.409 13.496 ( 1.207 0.000 0.604) 1.350 13.500 ( -0.330 0.000 0.349) 0.480 23.873 ( 0.839 0.000 -3.669) 3.764 23.965 ( -1.689 0.000 -5.315) 5.577 24.312 ( 1.183 0.000 5.098) 5.233 24.765 ( -0.221 0.000 -3.179) 3.186 25.173 ( -1.437 0.000 -5.313) 5.504 25.318 ( 1.357 0.000 3.884) 4.114 25.581 ( 0.763 0.000 -5.103) 5.160 25.677 ( -1.714 0.000 -2.667) 3.171 ======================= Grid point 54 (22/88) ======================= q-point: (-0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -22.415 0.000 -17.021) 28.145 0.880 ( -20.425 0.000 -2.777) 20.612 1.382 ( -27.992 0.000 9.731) 29.635 1.622 ( -1.034 0.000 -13.514) 13.553 1.800 ( -0.531 0.000 -0.079) 0.537 1.814 ( -2.077 0.000 -2.694) 3.402 1.906 ( 4.473 0.000 -2.170) 4.972 1.930 ( 0.327 0.000 -4.364) 4.376 1.998 ( 0.123 0.000 -11.038) 11.038 2.146 ( -10.644 0.000 -0.775) 10.672 2.219 ( -2.427 0.000 -1.280) 2.744 2.228 ( 2.945 0.000 -0.617) 3.009 2.695 ( -1.442 0.000 0.324) 1.478 2.787 ( 2.404 0.000 2.640) 3.570 2.793 ( 4.749 0.000 -4.021) 6.223 2.955 ( 7.059 0.000 -1.680) 7.256 2.970 ( -0.362 0.000 -0.233) 0.430 3.167 ( 6.108 0.000 1.882) 6.391 3.422 ( 2.907 0.000 1.280) 3.176 3.462 ( -3.478 0.000 1.972) 3.998 3.506 ( 0.912 0.000 -1.165) 1.480 3.601 ( -1.131 0.000 4.048) 4.203 3.772 ( 1.282 0.000 4.378) 4.562 3.777 ( -3.393 0.000 5.557) 6.511 3.886 ( -0.184 0.000 2.307) 2.315 4.112 ( 4.899 0.000 -4.149) 6.419 4.155 ( -1.931 0.000 0.254) 1.948 4.208 ( -3.753 0.000 -2.869) 4.724 4.484 ( 0.516 0.000 2.229) 2.288 4.496 ( -4.460 0.000 -2.321) 5.027 4.605 ( 2.551 0.000 1.381) 2.901 4.683 ( -0.343 0.000 4.403) 4.417 4.726 ( 7.130 0.000 3.025) 7.745 4.846 ( 1.366 0.000 -1.195) 1.814 4.954 ( -1.634 0.000 -7.364) 7.544 5.080 ( 5.358 0.000 0.780) 5.415 5.605 ( -1.478 0.000 1.791) 2.322 5.918 ( 2.967 0.000 -6.544) 7.186 6.269 ( -4.584 0.000 -6.093) 7.625 6.399 ( 3.729 0.000 -0.773) 3.808 7.318 ( -1.892 0.000 -1.857) 2.651 7.362 ( 0.460 0.000 -0.646) 0.793 8.077 ( 0.715 0.000 1.187) 1.386 8.133 ( 0.073 0.000 0.236) 0.247 8.140 ( 0.141 0.000 -0.423) 0.446 8.207 ( 0.991 0.000 1.137) 1.509 8.237 ( -0.498 0.000 -0.135) 0.516 8.294 ( 0.802 0.000 0.484) 0.937 10.301 ( -0.940 0.000 1.126) 1.467 10.655 ( 2.177 0.000 -6.140) 6.514 10.819 ( -1.356 0.000 0.496) 1.443 10.854 ( -0.917 0.000 0.228) 0.944 11.669 ( 1.918 0.000 1.420) 2.387 11.810 ( 2.427 0.000 -2.665) 3.604 11.905 ( 1.103 0.000 15.884) 15.922 12.083 ( -1.711 0.000 0.821) 1.897 12.877 ( 0.055 0.000 0.612) 0.615 12.890 ( -0.627 0.000 -0.328) 0.707 12.914 ( -0.394 0.000 0.377) 0.546 12.963 ( 0.294 0.000 0.720) 0.777 13.437 ( 0.326 0.000 -0.241) 0.406 13.439 ( -0.622 0.000 -1.119) 1.280 13.490 ( -0.873 0.000 -0.145) 0.885 13.524 ( 1.010 0.000 0.516) 1.134 23.859 ( 1.101 0.000 -2.972) 3.169 23.899 ( 0.120 0.000 -5.022) 5.023 24.383 ( 0.336 0.000 6.313) 6.321 24.630 ( -5.516 0.000 -17.884) 18.715 25.156 ( 1.943 0.000 2.007) 2.793 25.362 ( -0.399 0.000 2.378) 2.411 25.577 ( 3.140 0.000 -3.333) 4.579 25.596 ( -2.921 0.000 -5.043) 5.828 ======================= Grid point 55 (23/88) ======================= q-point: (-0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( -8.862 0.000 22.484) 24.168 0.483 ( -19.696 0.000 8.121) 21.304 0.932 ( -32.199 0.000 22.566) 39.319 1.584 ( 6.000 0.000 -4.569) 7.542 1.784 ( -1.960 0.000 2.641) 3.288 1.788 ( -0.490 0.000 -1.360) 1.446 1.903 ( 0.731 0.000 -1.359) 1.544 1.916 ( 1.530 0.000 0.384) 1.578 1.980 ( -6.166 0.000 1.141) 6.270 2.009 ( 5.309 0.000 -4.535) 6.982 2.195 ( -0.070 0.000 1.287) 1.289 2.278 ( 2.887 0.000 -0.966) 3.045 2.661 ( -1.546 0.000 -0.495) 1.623 2.850 ( 1.469 0.000 2.235) 2.675 2.875 ( 5.770 0.000 -2.278) 6.203 2.969 ( 1.130 0.000 -0.987) 1.500 3.028 ( 3.154 0.000 -3.226) 4.512 3.281 ( 3.749 0.000 -8.767) 9.535 3.355 ( -2.751 0.000 -3.255) 4.262 3.483 ( -4.369 0.000 -8.450) 9.513 3.511 ( -0.241 0.000 4.383) 4.390 3.685 ( -2.324 0.000 0.086) 2.325 3.737 ( -12.524 0.000 -16.088) 20.388 3.800 ( -0.634 0.000 -0.860) 1.068 3.886 ( 5.467 0.000 7.436) 9.230 3.888 ( -1.345 0.000 -0.970) 1.659 4.116 ( -3.857 0.000 7.893) 8.785 4.247 ( 2.548 0.000 1.199) 2.816 4.431 ( -0.593 0.000 -2.065) 2.148 4.484 ( -0.136 0.000 0.433) 0.453 4.631 ( 0.048 0.000 -1.710) 1.711 4.711 ( -0.744 0.000 3.345) 3.427 4.737 ( -4.528 0.000 -13.984) 14.699 4.882 ( 3.379 0.000 1.099) 3.553 4.938 ( 1.521 0.000 9.502) 9.623 5.166 ( 3.495 0.000 -1.358) 3.750 5.589 ( -1.552 0.000 1.278) 2.011 5.930 ( 7.537 0.000 1.026) 7.607 6.184 ( 0.061 0.000 7.797) 7.798 6.463 ( 3.013 0.000 -0.023) 3.013 7.285 ( -0.519 0.000 0.337) 0.619 7.368 ( 0.456 0.000 0.195) 0.496 8.095 ( 0.209 0.000 0.356) 0.412 8.137 ( 0.392 0.000 0.148) 0.419 8.149 ( 0.595 0.000 1.425) 1.544 8.205 ( -1.928 0.000 -1.523) 2.457 8.223 ( 0.071 0.000 0.185) 0.198 8.304 ( 0.257 0.000 -0.865) 0.903 10.297 ( -0.763 0.000 1.458) 1.646 10.600 ( -1.571 0.000 -8.279) 8.427 10.789 ( -1.665 0.000 0.534) 1.748 10.838 ( -0.859 0.000 0.140) 0.870 11.706 ( 0.765 0.000 1.060) 1.307 11.842 ( 3.420 0.000 -2.634) 4.316 12.048 ( -2.259 0.000 -0.070) 2.261 12.128 ( 4.471 0.000 6.341) 7.759 12.878 ( -0.316 0.000 -0.039) 0.319 12.881 ( -0.090 0.000 0.496) 0.504 12.912 ( -0.444 0.000 0.768) 0.886 12.991 ( 1.264 0.000 0.347) 1.311 13.421 ( -0.350 0.000 -0.680) 0.764 13.448 ( 0.590 0.000 0.587) 0.832 13.469 ( -0.860 0.000 -0.354) 0.930 13.540 ( 0.341 0.000 -0.131) 0.365 23.880 ( 2.315 0.000 2.185) 3.184 23.880 ( 1.948 0.000 -3.520) 4.023 24.311 ( -3.451 0.000 0.134) 3.453 24.433 ( -1.702 0.000 6.867) 7.075 25.245 ( 1.512 0.000 4.635) 4.875 25.346 ( -1.171 0.000 -1.837) 2.179 25.483 ( -2.399 0.000 -5.408) 5.916 25.630 ( 3.065 0.000 0.790) 3.166 ======================= Grid point 56 (24/88) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -11.239 13.043 17.311) 24.415 0.762 ( 2.410 17.620 16.934) 24.557 1.212 ( 6.517 20.178 31.055) 37.604 1.707 ( 1.821 -3.451 3.693) 5.373 1.751 ( 5.982 -1.629 1.269) 6.329 1.786 ( 0.096 1.317 -0.251) 1.345 1.864 ( 3.368 -5.997 4.577) 8.262 1.927 ( 1.395 -1.660 2.672) 3.441 2.019 ( 3.236 0.677 3.169) 4.580 2.095 ( 2.737 1.557 -2.601) 4.084 2.254 ( 0.153 1.777 3.289) 3.741 2.312 ( 1.564 -0.948 0.969) 2.069 2.666 ( -0.284 2.813 -1.903) 3.408 2.860 ( -4.447 4.508 -1.344) 6.473 2.955 ( 0.217 2.440 0.616) 2.526 3.010 ( 2.628 0.967 -1.295) 3.085 3.042 ( 0.690 5.997 -4.791) 7.706 3.108 ( -1.179 4.328 -4.135) 6.101 3.272 ( 0.192 -1.795 -2.764) 3.301 3.375 ( 2.173 1.743 -3.118) 4.181 3.457 ( -1.486 -2.420 0.144) 2.844 3.555 ( -2.638 1.480 -1.086) 3.214 3.670 ( -3.579 2.335 -2.445) 4.924 3.716 ( -5.020 3.221 -5.792) 8.314 3.872 ( 0.380 -0.308 1.290) 1.380 4.071 ( 1.009 -6.755 2.826) 7.392 4.189 ( 2.550 -1.802 2.613) 4.071 4.272 ( 3.084 -5.631 1.350) 6.561 4.367 ( -1.345 -3.567 0.917) 3.921 4.453 ( -1.833 -2.531 -0.520) 3.168 4.583 ( 2.293 2.082 0.608) 3.156 4.644 ( 2.553 0.919 1.991) 3.365 4.708 ( 1.137 -5.968 -1.646) 6.294 4.885 ( 0.622 -0.764 -0.576) 1.141 4.927 ( -3.142 0.952 0.703) 3.357 5.164 ( -0.907 -2.714 -0.526) 2.910 5.709 ( -1.147 8.342 -4.405) 9.503 6.001 ( 2.664 -0.231 -3.687) 4.555 6.380 ( 7.468 -12.159 8.308) 16.512 6.497 ( 2.173 -4.346 2.830) 5.623 7.352 ( 0.981 3.141 0.947) 3.425 7.444 ( 0.136 5.597 -0.283) 5.606 8.019 ( -0.450 -6.910 0.138) 6.926 8.068 ( 0.030 -8.591 -0.391) 8.600 8.114 ( -0.714 -1.275 -0.911) 1.722 8.199 ( 0.918 -1.704 0.421) 1.980 8.216 ( -0.493 0.221 -0.824) 0.986 8.297 ( -0.812 -0.089 -2.171) 2.319 10.344 ( -0.375 4.275 1.524) 4.555 10.596 ( 3.484 3.423 -3.111) 5.791 10.765 ( -0.967 -1.301 1.656) 2.318 10.956 ( 2.585 5.417 -7.766) 9.815 11.681 ( -7.730 -3.774 4.696) 9.800 11.733 ( -3.934 -1.570 3.328) 5.386 11.914 ( 0.770 2.021 -1.297) 2.522 12.083 ( -3.390 2.642 -5.690) 7.131 12.878 ( 0.178 -0.100 0.437) 0.482 12.883 ( -0.379 -0.073 0.582) 0.698 12.917 ( -0.218 0.606 0.415) 0.766 12.956 ( -0.601 -0.534 0.524) 0.960 13.433 ( 0.061 -0.040 0.221) 0.233 13.451 ( 0.327 0.139 0.142) 0.382 13.468 ( 0.436 0.115 0.896) 1.003 13.547 ( 0.291 0.620 -0.644) 0.940 23.915 ( -0.479 2.583 0.168) 2.633 23.940 ( 2.158 3.567 -1.894) 4.579 24.401 ( -3.553 -4.392 5.865) 8.143 24.536 ( 13.989 -20.230 13.116) 27.874 25.188 ( -4.528 1.513 -1.958) 5.160 25.379 ( 4.870 -2.186 2.424) 5.863 25.703 ( 0.598 6.983 -2.539) 7.455 25.987 ( 5.817 14.881 -15.087) 21.974 ======================= Grid point 57 (25/88) ======================= q-point: ( 0.14 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 7.781 10.884 10.517) 17.018 1.049 ( 10.173 11.390 15.002) 21.408 1.646 ( 6.955 -2.234 14.911) 16.604 1.767 ( 0.715 1.679 -2.850) 3.384 1.829 ( 8.126 3.950 14.545) 17.122 1.912 ( 6.948 -0.389 0.706) 6.995 1.998 ( 1.333 -2.374 2.440) 3.656 2.029 ( 4.926 -2.757 5.475) 7.864 2.058 ( 1.193 -1.404 0.663) 1.958 2.130 ( 2.620 -0.003 -0.054) 2.621 2.296 ( 1.331 -0.463 4.240) 4.468 2.397 ( 2.808 -0.577 6.611) 7.206 2.650 ( 0.316 4.173 -0.402) 4.204 2.802 ( -1.941 6.714 -0.768) 7.031 2.959 ( 0.894 0.339 -1.719) 1.967 3.021 ( -2.060 1.192 0.224) 2.391 3.047 ( 1.986 2.935 0.258) 3.553 3.102 ( 0.910 2.406 -1.360) 2.910 3.258 ( 0.345 -1.425 -4.273) 4.517 3.403 ( 3.236 3.665 -2.798) 5.632 3.425 ( -1.504 -0.550 -2.915) 3.326 3.464 ( -2.328 0.165 -4.378) 4.961 3.597 ( -0.769 3.872 -3.976) 5.603 3.610 ( -1.038 2.590 -0.634) 2.861 3.902 ( 0.858 -0.641 1.545) 1.879 4.075 ( -0.848 -3.501 -0.258) 3.611 4.176 ( -0.103 -3.850 -0.702) 3.915 4.287 ( -3.577 -10.740 -1.735) 11.452 4.361 ( -0.942 -2.709 -0.422) 2.899 4.436 ( 1.699 -0.089 0.058) 1.702 4.565 ( -1.089 0.936 -2.082) 2.529 4.702 ( -1.583 -4.743 -2.663) 5.665 4.759 ( 2.232 3.307 3.794) 5.505 4.859 ( -1.406 2.355 -0.946) 2.902 4.879 ( 0.598 1.376 -1.438) 2.078 5.105 ( -3.809 -2.591 -0.957) 4.705 5.670 ( -0.569 8.071 -1.174) 8.176 5.974 ( -0.252 3.237 -4.913) 5.888 6.445 ( -1.700 -6.044 1.175) 6.387 6.558 ( -1.465 -9.141 3.229) 9.805 7.386 ( 0.940 2.624 1.847) 3.344 7.442 ( 0.011 5.019 0.199) 5.023 7.999 ( -1.267 -6.503 -0.028) 6.626 8.066 ( 0.553 -7.051 -0.237) 7.077 8.120 ( 0.675 -2.596 0.344) 2.704 8.178 ( -1.072 -0.785 -2.411) 2.753 8.213 ( -0.569 -3.396 0.055) 3.444 8.258 ( -0.743 -0.853 -2.021) 2.316 10.353 ( -0.258 4.307 1.429) 4.545 10.646 ( 4.326 0.860 -4.263) 6.134 10.769 ( -0.384 -1.491 2.236) 2.715 10.919 ( 0.050 3.559 -4.733) 5.922 11.583 ( -4.712 1.572 4.474) 6.685 11.731 ( -0.850 -0.599 2.601) 2.801 11.906 ( -1.169 1.514 -0.781) 2.067 12.019 ( 0.861 1.453 -2.702) 3.187 12.879 ( -0.612 0.003 0.388) 0.725 12.888 ( 0.293 -0.338 0.531) 0.694 12.921 ( 0.199 0.713 0.564) 0.931 12.959 ( 0.132 -0.163 0.658) 0.691 13.436 ( 0.175 -0.465 0.225) 0.546 13.460 ( 0.477 0.976 -0.153) 1.097 13.483 ( 0.291 -0.220 0.729) 0.815 13.541 ( -0.282 0.787 -0.609) 1.034 23.899 ( -0.437 1.247 -0.411) 1.384 23.996 ( 3.866 3.898 -0.199) 5.494 24.360 ( -5.342 -4.567 4.150) 8.162 24.777 ( 3.195 -17.939 3.376) 18.532 25.107 ( -2.703 0.856 0.318) 2.853 25.461 ( 2.942 -3.320 -1.633) 4.727 25.684 ( -1.786 7.240 0.695) 7.489 25.882 ( -2.817 10.781 -6.594) 12.948 ======================= Grid point 58 (26/88) ======================= q-point: ( 0.29 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 17.611 5.113 3.440) 18.658 1.373 ( 9.766 5.843 11.350) 16.073 1.740 ( 0.668 -0.225 -4.655) 4.708 1.767 ( 0.896 -4.151 -0.096) 4.248 1.950 ( 0.012 -1.900 -4.850) 5.209 1.996 ( -0.530 -2.618 0.864) 2.807 2.038 ( 1.365 1.046 -0.578) 1.814 2.135 ( 2.147 -2.731 -0.546) 3.516 2.192 ( 5.880 -1.601 7.937) 10.007 2.226 ( 3.589 -0.018 4.226) 5.544 2.386 ( 2.619 -1.680 5.126) 5.996 2.487 ( 0.418 -0.834 5.812) 5.886 2.668 ( 1.398 6.982 0.027) 7.121 2.759 ( -1.454 8.536 -0.105) 8.660 2.916 ( -4.655 -1.766 -1.104) 5.099 2.977 ( -0.891 0.243 -1.695) 1.930 3.074 ( -1.114 2.919 0.252) 3.135 3.107 ( 0.166 4.421 1.396) 4.639 3.192 ( -2.061 -1.693 -2.652) 3.762 3.364 ( 1.095 1.419 -4.650) 4.984 3.427 ( 1.054 4.751 -1.262) 5.027 3.467 ( 5.312 0.877 -3.308) 6.319 3.577 ( 1.154 7.374 -1.988) 7.723 3.642 ( 1.467 -1.910 4.701) 5.282 3.917 ( 0.656 -0.872 -1.521) 1.872 4.053 ( -1.280 -3.119 -1.240) 3.592 4.165 ( 0.283 -5.497 -2.412) 6.009 4.204 ( -1.297 -3.705 -2.505) 4.657 4.359 ( 0.835 -2.366 1.822) 3.100 4.480 ( 2.438 0.431 0.747) 2.586 4.532 ( -1.260 0.109 -0.366) 1.316 4.603 ( -4.954 -3.624 -0.718) 6.179 4.739 ( -3.983 4.884 0.441) 6.318 4.868 ( 0.462 -1.823 -1.268) 2.268 4.904 ( 1.734 0.532 -0.683) 1.938 5.035 ( -2.752 -1.674 1.501) 3.554 5.660 ( -0.170 7.399 0.375) 7.410 5.925 ( -0.357 4.452 -3.518) 5.685 6.396 ( -3.444 -4.810 -0.113) 5.917 6.516 ( -3.284 -5.997 -0.409) 6.850 7.405 ( -0.131 2.831 0.466) 2.872 7.451 ( 0.536 3.873 0.165) 3.913 7.982 ( -0.813 -7.134 0.545) 7.201 8.086 ( 1.338 -4.975 0.553) 5.181 8.126 ( -0.512 -2.483 -1.853) 3.140 8.139 ( -0.437 -0.661 0.167) 0.810 8.199 ( -0.697 -3.299 0.222) 3.379 8.236 ( -0.233 -1.261 -0.803) 1.513 10.358 ( -0.435 4.068 1.039) 4.221 10.668 ( 2.480 0.178 -4.725) 5.339 10.792 ( 0.418 -0.906 2.334) 2.538 10.884 ( -0.392 1.878 -1.753) 2.598 11.569 ( -0.515 1.850 2.035) 2.798 11.740 ( -1.287 -0.774 3.826) 4.110 11.866 ( -1.543 1.663 -1.180) 2.557 12.037 ( 1.747 -0.820 -0.272) 1.949 12.870 ( -0.547 0.139 0.290) 0.635 12.896 ( 0.149 -0.590 0.270) 0.665 12.932 ( 0.307 0.788 0.344) 0.913 12.968 ( 0.128 -0.071 0.445) 0.469 13.442 ( 0.169 -0.334 0.022) 0.375 13.466 ( 0.363 0.631 -0.286) 0.782 13.493 ( 0.255 0.029 0.392) 0.468 13.526 ( -0.729 0.831 -0.462) 1.198 23.888 ( 0.064 0.001 -1.370) 1.371 24.070 ( 3.654 5.121 -0.319) 6.299 24.280 ( -5.653 -4.780 2.266) 7.742 24.792 ( -1.489 -6.697 0.233) 6.864 25.088 ( -0.405 -3.802 0.824) 3.911 25.471 ( 1.118 0.091 -3.309) 3.494 25.630 ( -4.777 3.940 1.059) 6.282 25.815 ( -0.018 6.543 -2.434) 6.981 ======================= Grid point 59 (27/88) ======================= q-point: ( 0.43 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 12.020 -0.020 0.174) 12.022 1.530 ( -0.882 2.795 -0.688) 3.010 1.709 ( 1.138 0.734 -3.408) 3.667 1.735 ( -3.126 -1.599 0.155) 3.515 1.890 ( -3.288 3.667 -2.319) 5.444 1.970 ( 1.132 -0.370 -4.288) 4.450 2.024 ( 0.375 -0.798 -7.540) 7.592 2.125 ( 0.252 -3.522 -4.435) 5.669 2.175 ( -4.666 -1.767 -4.478) 6.704 2.313 ( 1.832 -3.646 -1.610) 4.387 2.419 ( -3.188 -0.072 0.126) 3.191 2.500 ( -5.103 -1.436 2.539) 5.878 2.684 ( 1.200 4.459 -1.458) 4.842 2.751 ( 1.040 7.045 -0.271) 7.127 2.835 ( -1.914 0.288 -0.565) 2.016 2.933 ( -4.328 2.366 0.741) 4.988 3.011 ( -1.387 1.162 -3.884) 4.284 3.102 ( -1.162 4.840 -1.216) 5.124 3.195 ( 1.810 -0.000 3.307) 3.770 3.403 ( 5.600 -0.380 -2.309) 6.069 3.460 ( 2.773 5.547 2.920) 6.854 3.567 ( 4.471 -0.290 1.376) 4.687 3.585 ( -0.202 7.095 2.263) 7.450 3.721 ( 0.225 -2.169 7.353) 7.670 3.910 ( 1.424 -0.563 -3.922) 4.210 4.010 ( -0.392 -3.083 -2.632) 4.072 4.149 ( -0.720 -2.014 0.059) 2.140 4.206 ( 3.441 -0.079 -1.792) 3.881 4.417 ( 0.366 -3.114 4.755) 5.696 4.486 ( -2.933 0.809 1.080) 3.228 4.532 ( 0.496 -0.560 0.608) 0.964 4.578 ( 4.513 -3.072 0.376) 5.472 4.675 ( -3.262 2.439 0.955) 4.184 4.838 ( -2.503 -5.486 1.477) 6.208 4.899 ( 0.512 -0.874 -3.949) 4.077 5.027 ( -1.016 0.422 1.856) 2.158 5.669 ( 0.199 6.850 1.411) 6.997 5.908 ( 1.326 4.634 -1.640) 5.091 6.334 ( -1.651 -3.650 -1.229) 4.190 6.444 ( -2.385 -4.741 -3.260) 6.228 7.399 ( -0.369 3.137 -0.524) 3.202 7.452 ( -0.163 3.715 -1.073) 3.871 7.973 ( -0.589 -7.472 0.388) 7.505 8.095 ( -0.460 -4.800 -1.618) 5.086 8.129 ( 1.715 -1.002 1.782) 2.668 8.144 ( -0.028 -0.481 1.223) 1.314 8.189 ( -0.611 -2.990 0.400) 3.078 8.237 ( 0.518 -1.370 0.487) 1.543 10.356 ( -0.585 3.841 0.708) 3.950 10.663 ( 1.662 -0.302 -4.487) 4.794 10.821 ( 0.141 0.370 2.200) 2.236 10.872 ( 0.232 0.822 -0.370) 0.930 11.588 ( 0.777 1.365 1.321) 2.052 11.754 ( -1.717 -1.194 5.361) 5.754 11.834 ( -0.398 1.890 -1.466) 2.425 12.066 ( 0.721 -1.848 0.936) 2.194 12.866 ( -0.156 0.187 0.420) 0.486 12.899 ( -0.033 -0.667 0.030) 0.668 12.936 ( -0.062 0.801 -0.073) 0.807 12.970 ( -0.215 -0.025 0.018) 0.217 13.441 ( -0.054 -0.258 -0.412) 0.489 13.473 ( 0.483 0.042 0.117) 0.499 13.502 ( 0.455 0.427 0.278) 0.683 13.505 ( -0.926 0.898 -0.628) 1.435 23.874 ( 0.331 -0.617 -2.340) 2.442 24.081 ( -1.329 3.585 -4.514) 5.916 24.240 ( -0.294 -2.426 4.190) 4.850 24.763 ( -1.212 -3.386 -0.500) 3.631 25.089 ( -0.405 -4.696 0.583) 4.749 25.462 ( 1.176 4.309 -2.643) 5.190 25.546 ( -3.345 0.022 -1.196) 3.553 25.804 ( 0.485 5.295 -2.086) 5.712 ======================= Grid point 60 (28/88) ======================= q-point: (-0.43 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -13.227 3.275 -2.506) 13.855 1.428 ( -16.922 3.201 -12.020) 21.002 1.637 ( 4.397 -0.920 -3.231) 5.534 1.757 ( 3.729 0.571 -1.710) 4.141 1.831 ( -5.895 0.827 -14.626) 15.791 1.884 ( -2.761 0.641 -2.789) 3.976 1.930 ( -0.629 0.839 -1.707) 2.003 2.071 ( -1.772 2.757 -2.947) 4.408 2.110 ( -0.350 -1.644 -3.931) 4.275 2.249 ( -5.249 1.878 -3.549) 6.608 2.287 ( -3.927 0.932 -4.499) 6.044 2.359 ( -9.858 -1.150 -0.404) 9.933 2.703 ( 2.256 2.283 -2.002) 3.783 2.773 ( -2.635 0.960 -0.403) 2.834 2.802 ( 4.641 6.598 -1.560) 8.216 2.894 ( 0.455 2.332 0.569) 2.443 2.980 ( 0.437 -0.097 -1.829) 1.883 3.103 ( 2.723 2.640 -0.243) 3.801 3.291 ( 3.383 -0.967 4.897) 6.031 3.461 ( 3.755 -2.966 -3.486) 5.920 3.536 ( -1.882 0.901 0.485) 2.142 3.581 ( 0.193 3.803 4.945) 6.241 3.693 ( 3.497 1.217 5.877) 6.946 3.770 ( -2.075 0.091 6.937) 7.241 3.898 ( -0.101 0.949 -1.026) 1.401 4.005 ( 1.668 -2.385 -1.128) 3.121 4.156 ( 0.949 -0.297 0.648) 1.186 4.253 ( 0.378 -0.328 0.167) 0.527 4.409 ( -1.791 -1.279 3.484) 4.121 4.509 ( 1.541 -4.517 1.274) 4.940 4.557 ( 1.364 -4.717 0.429) 4.929 4.625 ( -2.233 2.250 1.995) 3.746 4.680 ( 3.530 2.968 0.341) 4.625 4.849 ( 2.053 -7.409 0.500) 7.704 4.859 ( 0.256 -0.639 -3.502) 3.569 5.015 ( -0.644 -1.363 -0.201) 1.521 5.689 ( 0.396 6.929 1.609) 7.124 5.940 ( 3.336 4.565 -1.939) 5.977 6.323 ( 1.132 -3.185 -1.323) 3.630 6.359 ( -2.042 -3.630 -5.223) 6.681 7.381 ( -0.831 2.609 -1.165) 2.975 7.432 ( -0.236 5.017 -1.647) 5.286 7.973 ( 0.214 -7.370 0.748) 7.411 8.075 ( -0.294 -6.156 -1.183) 6.275 8.140 ( -0.760 -0.317 0.941) 1.251 8.183 ( 0.886 -0.058 0.880) 1.250 8.199 ( 0.918 -2.210 2.494) 3.456 8.260 ( 1.004 -1.015 1.076) 1.787 10.350 ( -0.659 3.892 0.715) 4.011 10.652 ( 1.576 -0.841 -4.423) 4.771 10.827 ( -1.425 0.322 1.704) 2.244 10.890 ( 1.642 1.841 0.058) 2.468 11.622 ( 1.249 0.632 1.775) 2.261 11.775 ( -2.027 -2.154 6.974) 7.575 11.828 ( 1.123 2.257 -1.042) 2.728 12.081 ( -0.040 -1.666 1.148) 2.024 12.871 ( 0.111 0.174 0.604) 0.638 12.896 ( -0.253 -0.515 -0.037) 0.575 12.929 ( -0.428 0.682 -0.253) 0.844 12.962 ( -0.356 -0.070 -0.175) 0.403 13.435 ( -0.084 -0.212 -0.471) 0.523 13.478 ( -0.464 0.491 -0.952) 1.167 13.485 ( -0.308 -0.071 0.360) 0.479 13.515 ( 0.781 0.817 0.081) 1.133 23.859 ( 0.697 -0.565 -2.744) 2.887 23.988 ( -1.998 1.388 -5.962) 6.439 24.305 ( 1.370 -0.330 5.193) 5.381 24.718 ( -2.250 -5.340 -4.508) 7.342 25.084 ( -0.529 -2.156 1.465) 2.660 25.452 ( -0.242 -3.140 -3.874) 4.993 25.516 ( 2.169 8.036 0.026) 8.324 25.790 ( 0.911 6.462 -3.526) 7.418 ======================= Grid point 61 (29/88) ======================= q-point: (-0.29 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -18.453 9.438 -10.420) 23.198 1.009 ( -16.651 10.473 -1.613) 19.737 1.491 ( -19.926 9.249 6.761) 22.985 1.616 ( -1.042 -0.514 -11.904) 11.960 1.777 ( 0.434 -0.743 -2.219) 2.380 1.862 ( -3.596 -0.942 -0.192) 3.722 1.885 ( 2.113 1.594 -1.997) 3.316 1.963 ( -3.881 -1.145 -6.962) 8.052 1.993 ( -2.516 3.234 -7.443) 8.496 2.165 ( -7.373 2.099 -2.212) 7.978 2.202 ( 0.162 -0.404 0.943) 1.038 2.251 ( 1.426 1.137 -0.918) 2.042 2.695 ( -1.363 0.468 0.359) 1.486 2.805 ( 5.500 2.380 -1.975) 6.310 2.863 ( 2.208 6.279 0.941) 6.722 2.944 ( 2.584 -0.782 -0.812) 2.819 3.001 ( 4.112 2.533 -1.828) 5.164 3.191 ( 6.027 1.920 1.510) 6.504 3.372 ( 1.960 -4.446 -0.043) 4.859 3.448 ( -3.314 -1.940 -1.491) 4.120 3.524 ( 1.371 0.762 2.606) 3.041 3.596 ( -2.356 -0.788 4.450) 5.096 3.768 ( -3.025 0.178 3.426) 4.574 3.792 ( 1.445 2.127 3.282) 4.169 3.897 ( -1.183 1.572 3.290) 3.833 4.034 ( 1.406 -4.243 -1.404) 4.685 4.152 ( -3.983 -1.388 -3.529) 5.499 4.221 ( -1.226 1.102 3.278) 3.669 4.429 ( -1.273 -3.193 0.509) 3.475 4.489 ( -0.304 -1.357 1.101) 1.774 4.628 ( 1.739 -0.418 1.865) 2.584 4.654 ( 0.044 -2.024 -0.677) 2.135 4.673 ( 0.665 -4.307 -1.054) 4.484 4.843 ( 2.994 -1.515 -5.537) 6.474 4.892 ( -0.568 -2.034 0.799) 2.258 5.041 ( 4.127 -4.018 0.516) 5.783 5.717 ( 1.502 7.162 1.228) 7.420 5.969 ( 3.277 4.390 -8.004) 9.699 6.233 ( -4.627 -2.994 -2.885) 6.221 6.380 ( 3.539 -2.015 -0.517) 4.105 7.348 ( -0.977 3.105 -1.290) 3.501 7.421 ( 0.397 5.656 -0.858) 5.734 7.994 ( 0.906 -7.390 0.934) 7.504 8.064 ( 0.110 -7.145 -0.680) 7.178 8.135 ( -0.606 -0.711 1.258) 1.567 8.196 ( -0.054 -0.826 0.422) 0.929 8.232 ( 0.230 0.126 1.250) 1.277 8.294 ( 1.333 -0.290 0.938) 1.655 10.345 ( -0.663 4.126 0.965) 4.289 10.637 ( 1.122 -0.817 -4.725) 4.924 10.804 ( -2.285 -0.305 1.404) 2.700 10.926 ( 2.721 4.029 -1.681) 5.144 11.664 ( 1.168 -0.485 1.798) 2.198 11.800 ( -1.594 -3.100 5.440) 6.461 11.868 ( 1.695 0.417 3.832) 4.210 12.095 ( 0.831 -0.113 1.356) 1.594 12.878 ( 0.009 0.102 0.555) 0.564 12.888 ( -0.506 -0.195 -0.045) 0.544 12.919 ( -0.383 0.489 0.114) 0.632 12.959 ( 0.029 -0.402 0.331) 0.521 13.432 ( 0.104 -0.190 0.030) 0.219 13.456 ( -0.419 1.373 -1.137) 1.831 13.478 ( -0.824 -0.957 0.083) 1.265 13.532 ( 0.860 0.576 -0.114) 1.041 23.857 ( 1.462 0.424 -1.600) 2.208 23.917 ( 0.259 1.447 -5.135) 5.342 24.370 ( -0.136 -1.316 5.887) 6.034 24.548 ( -7.903 -6.202 -11.663) 15.393 25.126 ( 2.210 0.253 4.711) 5.210 25.392 ( -1.435 -4.144 -5.117) 6.739 25.606 ( 5.566 9.799 1.610) 11.384 25.785 ( 3.850 10.745 -6.215) 12.996 ======================= Grid point 62 (30/88) ======================= q-point: (-0.14 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -7.176 16.196 12.075) 21.438 0.747 ( -13.252 17.029 10.090) 23.820 1.155 ( -22.076 21.915 15.655) 34.823 1.581 ( 5.460 -0.379 -3.946) 6.748 1.758 ( -2.950 -2.880 2.642) 4.897 1.799 ( -2.117 -1.027 0.600) 2.428 1.841 ( -1.845 -5.821 -2.476) 6.589 1.905 ( -0.069 -0.059 0.184) 0.205 1.950 ( 1.830 0.965 -1.438) 2.520 2.081 ( 1.013 4.117 -3.650) 5.594 2.219 ( 0.550 1.773 1.899) 2.655 2.284 ( 2.120 0.221 -0.849) 2.295 2.678 ( -0.364 1.831 -0.321) 1.894 2.891 ( 3.879 3.649 -1.508) 5.535 2.922 ( 1.772 3.554 2.347) 4.613 2.961 ( 1.981 0.697 -1.298) 2.468 3.051 ( 2.712 2.122 -3.161) 4.674 3.277 ( 2.043 -0.644 -7.374) 7.679 3.363 ( -2.074 -0.625 -3.023) 3.719 3.396 ( -1.435 -4.515 -2.196) 5.222 3.567 ( -2.018 1.923 -0.488) 2.830 3.606 ( -8.715 -7.312 -1.414) 11.464 3.711 ( 1.974 1.616 2.090) 3.298 3.816 ( -1.389 2.475 0.172) 2.843 3.876 ( -1.572 0.578 0.940) 1.921 3.932 ( -1.510 2.832 -2.079) 3.824 4.069 ( -2.128 -3.526 6.502) 7.696 4.274 ( 1.001 1.840 3.127) 3.764 4.401 ( -0.934 -1.763 -0.457) 2.047 4.502 ( -4.744 -6.411 -0.735) 8.010 4.524 ( -0.719 2.839 0.204) 2.936 4.644 ( 0.019 -1.602 -2.331) 2.829 4.716 ( -0.030 -6.658 -0.153) 6.660 4.856 ( 2.913 -0.671 -1.046) 3.167 4.923 ( 0.959 -0.482 3.227) 3.401 5.133 ( 3.561 -4.061 1.054) 5.503 5.770 ( 2.792 6.899 -4.525) 8.710 5.924 ( 3.205 0.711 -4.103) 5.255 6.188 ( -0.002 0.695 5.686) 5.728 6.442 ( 2.903 -2.301 0.221) 3.711 7.334 ( 0.380 3.503 -0.266) 3.533 7.431 ( 1.077 5.891 -0.175) 5.992 8.014 ( 0.400 -7.412 0.576) 7.445 8.065 ( 0.278 -8.291 -0.202) 8.298 8.143 ( 0.012 -0.020 0.578) 0.578 8.183 ( -0.999 -0.072 -0.114) 1.008 8.233 ( -0.532 0.452 -0.127) 0.710 8.314 ( 0.435 0.278 -0.593) 0.786 10.343 ( -0.708 4.178 1.210) 4.407 10.603 ( 0.105 1.815 -4.559) 4.908 10.776 ( -1.798 -0.781 1.428) 2.425 10.956 ( 3.776 5.764 -5.586) 8.871 11.694 ( 0.401 -1.328 1.343) 1.930 11.805 ( -3.682 -5.963 5.050) 8.638 11.917 ( -0.512 -1.248 1.865) 2.302 12.150 ( 2.422 -1.045 -0.450) 2.676 12.876 ( -0.292 -0.054 0.098) 0.313 12.884 ( -0.221 0.015 0.526) 0.570 12.917 ( -0.181 0.467 0.457) 0.678 12.966 ( -0.177 -1.376 0.536) 1.488 13.432 ( -0.224 0.758 -0.184) 0.812 13.450 ( 0.224 0.090 0.355) 0.430 13.460 ( -0.735 -0.585 -0.153) 0.952 13.543 ( 0.569 0.392 -0.403) 0.800 23.894 ( 1.891 1.799 -0.881) 2.755 23.919 ( 3.755 2.877 0.153) 4.733 24.289 ( -5.294 -2.025 -2.076) 6.037 24.406 ( -2.043 -2.762 6.186) 7.076 25.238 ( 3.215 0.133 5.547) 6.413 25.306 ( -2.012 -2.241 -4.600) 5.499 25.698 ( 2.362 6.253 -1.100) 6.774 25.876 ( 14.456 18.804 -10.598) 25.979 ======================= Grid point 63 (31/88) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -6.908 15.647 11.034) 20.354 1.093 ( 2.785 16.913 12.857) 21.427 1.467 ( -2.490 -6.476 6.181) 9.292 1.669 ( 4.251 -8.932 6.867) 12.042 1.727 ( 3.064 12.342 11.096) 16.877 1.759 ( 6.032 -0.021 1.692) 6.264 1.816 ( 2.772 0.296 2.913) 4.032 1.941 ( -0.076 3.918 -2.079) 4.436 2.023 ( 2.682 -1.021 1.331) 3.163 2.116 ( -0.030 0.162 -3.843) 3.847 2.259 ( 0.920 -0.857 0.140) 1.265 2.297 ( 1.412 -0.841 2.580) 3.059 2.757 ( -0.293 6.656 1.862) 6.918 2.919 ( -1.892 1.039 0.315) 2.182 3.012 ( 0.361 2.176 -2.174) 3.097 3.041 ( 2.348 1.492 -0.408) 2.812 3.133 ( -0.876 5.406 -0.275) 5.484 3.192 ( -1.317 2.904 -4.835) 5.792 3.279 ( 2.888 2.796 -4.264) 5.860 3.374 ( 1.311 -2.466 -0.364) 2.817 3.410 ( -2.608 -2.171 0.296) 3.406 3.532 ( -3.496 -4.041 -0.347) 5.355 3.727 ( -1.276 3.308 -5.660) 6.679 3.796 ( -2.486 3.021 -5.634) 6.859 3.892 ( -0.370 2.915 1.683) 3.386 3.973 ( 0.550 -1.624 1.832) 2.509 4.133 ( 1.679 -2.949 4.696) 5.794 4.226 ( -4.010 0.722 -3.336) 5.266 4.290 ( -0.470 -5.113 -1.696) 5.407 4.402 ( -0.688 -5.493 -0.803) 5.593 4.587 ( 1.656 -2.192 2.438) 3.673 4.609 ( 1.990 -0.183 -2.455) 3.166 4.695 ( 3.091 3.614 5.394) 7.192 4.864 ( 1.280 -2.025 1.879) 3.045 4.950 ( -1.482 1.642 0.280) 2.229 5.076 ( -1.079 -5.590 1.696) 5.940 5.825 ( 0.278 4.387 -1.831) 4.762 5.980 ( 5.452 -2.638 -0.501) 6.077 6.252 ( 0.441 -0.814 2.742) 2.894 6.406 ( 0.385 -5.330 0.453) 5.363 7.451 ( 0.567 7.329 1.329) 7.470 7.560 ( 0.397 6.421 -0.495) 6.452 7.842 ( -0.072 -10.835 0.853) 10.868 7.880 ( 0.512 -9.933 -0.158) 9.948 8.114 ( -1.966 1.049 -2.362) 3.247 8.173 ( -0.543 -1.335 -0.740) 1.620 8.226 ( -0.704 0.775 -1.592) 1.906 8.279 ( -1.244 -1.528 -2.223) 2.970 10.449 ( 0.062 6.164 1.023) 6.248 10.641 ( 2.092 -1.121 -2.521) 3.463 10.771 ( -1.069 3.745 0.814) 3.979 10.973 ( 0.921 -2.841 -5.657) 6.397 11.650 ( -3.816 0.369 4.601) 5.989 11.709 ( -1.341 -1.427 2.418) 3.111 11.964 ( 0.395 3.091 -1.545) 3.478 12.082 ( -1.088 -1.987 -3.883) 4.496 12.877 ( -0.017 -0.007 0.525) 0.526 12.881 ( -0.350 -0.162 0.634) 0.742 12.929 ( -0.010 0.553 0.341) 0.650 12.947 ( -0.049 -0.428 0.459) 0.629 13.427 ( -0.272 -0.183 0.397) 0.515 13.443 ( 0.299 -0.727 1.094) 1.347 13.494 ( 0.631 2.077 0.074) 2.172 13.551 ( 0.498 -0.324 -0.619) 0.858 23.989 ( 0.690 5.059 0.772) 5.164 24.035 ( 0.252 6.127 -0.908) 6.199 24.257 ( 3.917 -8.921 5.992) 11.438 24.309 ( -0.514 -7.262 3.820) 8.222 25.228 ( -2.420 2.447 0.141) 3.445 25.330 ( 2.193 -2.657 3.084) 4.624 25.849 ( 0.926 7.969 -3.106) 8.603 26.087 ( 2.429 -1.552 -9.157) 9.600 ======================= Grid point 64 (32/88) ======================= q-point: ( 0.14 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 4.467 15.023 7.054) 17.187 1.289 ( 6.161 12.823 10.608) 17.746 1.523 ( 3.167 -9.987 3.679) 11.105 1.771 ( 0.619 -6.805 3.204) 7.547 1.860 ( 1.957 -0.603 -1.827) 2.744 1.912 ( 3.520 2.474 9.617) 10.535 1.959 ( 5.590 0.918 2.754) 6.299 2.010 ( 4.688 -0.503 -0.189) 4.719 2.047 ( 4.158 0.535 2.962) 5.133 2.121 ( 2.751 -1.203 1.541) 3.375 2.298 ( 1.677 1.275 3.504) 4.088 2.376 ( 2.344 -1.543 5.279) 5.979 2.784 ( 0.572 8.161 3.657) 8.961 2.908 ( 0.341 3.039 -0.098) 3.059 2.984 ( -1.777 2.220 -1.027) 3.024 3.035 ( -1.951 -0.578 -0.456) 2.086 3.121 ( 1.093 5.628 -0.061) 5.733 3.172 ( 0.760 5.400 -2.148) 5.861 3.281 ( 0.419 3.453 -3.170) 4.706 3.390 ( 0.104 -3.152 -2.311) 3.910 3.416 ( 0.797 -3.176 2.207) 3.949 3.447 ( -1.082 -2.578 -2.654) 3.855 3.652 ( -0.802 4.679 -3.906) 6.148 3.738 ( 1.782 5.637 -4.588) 7.483 3.909 ( 0.516 1.642 0.561) 1.811 3.970 ( -1.182 -4.660 -0.385) 4.823 4.127 ( -1.674 -1.612 -1.186) 2.609 4.175 ( -1.131 -1.579 -0.228) 1.956 4.270 ( -0.032 -5.719 -0.824) 5.779 4.377 ( -0.086 -6.637 -2.367) 7.047 4.592 ( -0.515 2.449 -0.083) 2.504 4.658 ( 0.508 0.981 1.638) 1.975 4.806 ( 2.765 1.774 3.891) 5.092 4.888 ( 0.025 -0.131 0.293) 0.322 4.894 ( -2.740 0.863 -1.282) 3.146 5.028 ( -4.608 -5.413 0.819) 7.156 5.825 ( 0.705 7.741 -0.973) 7.833 6.042 ( 2.670 2.148 -4.186) 5.410 6.283 ( -0.860 -7.603 3.295) 8.331 6.401 ( -1.603 -7.223 1.160) 7.489 7.476 ( 0.439 6.728 1.539) 6.916 7.560 ( 0.246 7.056 -0.589) 7.085 7.835 ( -1.091 -9.888 0.264) 9.951 7.897 ( 1.238 -9.634 0.135) 9.714 8.079 ( 0.007 -0.761 -0.139) 0.773 8.139 ( -1.623 -2.403 -1.576) 3.300 8.194 ( -0.796 0.238 -1.899) 2.073 8.234 ( -0.947 -1.449 -2.215) 2.811 10.459 ( -0.188 6.166 1.006) 6.250 10.653 ( 1.458 -1.943 -2.402) 3.416 10.773 ( 0.372 2.911 0.979) 3.094 10.929 ( -0.218 -2.155 -4.445) 4.945 11.623 ( -2.637 2.501 3.553) 5.083 11.711 ( -0.983 -1.509 2.530) 3.105 11.945 ( -0.957 2.450 -1.395) 2.977 12.027 ( -0.514 -0.781 -3.055) 3.195 12.879 ( -0.423 0.021 0.415) 0.593 12.883 ( 0.047 -0.218 0.482) 0.531 12.935 ( 0.299 0.685 0.511) 0.905 12.955 ( 0.282 -0.316 0.567) 0.708 13.433 ( 0.198 0.152 0.617) 0.666 13.459 ( 0.290 -0.826 0.862) 1.229 13.503 ( 0.353 1.853 -0.306) 1.911 13.550 ( -0.063 -0.074 -0.715) 0.722 23.956 ( -2.454 4.702 0.415) 5.320 24.091 ( 3.202 5.230 1.977) 6.443 24.248 ( -3.164 -6.056 1.119) 6.923 24.472 ( 6.545 -12.805 4.106) 14.955 25.180 ( -3.221 5.198 1.257) 6.242 25.380 ( 0.657 -4.614 1.867) 5.021 25.822 ( -1.097 6.909 -2.418) 7.401 25.991 ( -2.962 0.687 -7.124) 7.746 ======================= Grid point 65 (33/88) ======================= q-point: ( 0.29 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 11.622 9.569 2.858) 15.323 1.503 ( 6.194 6.120 6.839) 11.072 1.626 ( 4.262 -6.804 1.766) 8.221 1.770 ( -0.790 -0.442 -0.572) 1.070 1.896 ( -1.196 -4.929 -3.006) 5.895 1.902 ( 2.584 -4.526 -1.937) 5.560 2.052 ( 1.695 0.706 2.868) 3.406 2.097 ( 3.850 -0.306 0.302) 3.874 2.163 ( 1.986 -0.759 -0.318) 2.149 2.215 ( 2.673 -1.637 0.513) 3.176 2.382 ( 1.037 0.914 6.011) 6.168 2.454 ( 0.306 -2.205 5.291) 5.740 2.815 ( 0.229 6.297 -0.340) 6.311 2.905 ( -2.479 5.743 0.821) 6.309 2.917 ( -2.405 0.891 -3.101) 4.024 2.988 ( -1.669 0.322 -0.827) 1.890 3.153 ( 0.788 6.155 1.303) 6.341 3.180 ( 1.264 2.795 -0.717) 3.150 3.223 ( -2.918 4.446 -0.166) 5.321 3.368 ( -0.335 -0.785 -1.273) 1.532 3.424 ( 5.342 -1.673 -3.422) 6.560 3.534 ( 5.705 -0.739 2.254) 6.178 3.625 ( -0.569 3.529 -0.233) 3.582 3.759 ( 1.499 9.633 -0.745) 9.778 3.882 ( -0.098 -6.637 -5.320) 8.507 3.966 ( 0.530 0.136 1.331) 1.439 4.095 ( -0.781 -2.435 -1.112) 2.789 4.173 ( 1.428 0.323 0.436) 1.528 4.283 ( 1.124 -5.478 1.321) 5.746 4.367 ( 1.275 -8.375 -1.262) 8.565 4.573 ( -2.019 4.398 0.918) 4.926 4.632 ( -3.860 4.476 1.612) 6.127 4.815 ( -2.155 1.976 -0.894) 3.057 4.839 ( -4.399 -1.572 0.071) 4.672 4.888 ( 0.781 -1.315 -2.064) 2.568 4.974 ( -0.968 -4.733 2.117) 5.274 5.826 ( 0.403 9.445 -0.795) 9.486 6.026 ( 0.588 5.147 -4.122) 6.621 6.268 ( -2.344 -7.690 0.916) 8.091 6.369 ( -2.281 -8.331 0.162) 8.639 7.489 ( -0.280 5.920 0.785) 5.979 7.562 ( 0.623 7.414 -0.797) 7.482 7.815 ( -1.093 -9.426 0.306) 9.494 7.927 ( 1.527 -9.835 -0.006) 9.953 8.099 ( 0.894 -1.670 1.116) 2.198 8.103 ( -0.464 -1.520 -0.105) 1.593 8.164 ( -0.816 -0.291 -0.969) 1.300 8.206 ( -0.436 -1.718 -1.027) 2.048 10.459 ( -0.558 5.914 0.590) 5.969 10.650 ( 0.585 -2.599 -2.381) 3.573 10.800 ( 1.416 1.931 1.003) 2.597 10.892 ( -0.254 -1.061 -2.246) 2.497 11.617 ( -1.012 2.906 2.427) 3.919 11.716 ( -1.255 -1.729 3.227) 3.870 11.909 ( -1.167 2.654 -1.359) 3.202 12.010 ( 0.455 -1.988 -1.083) 2.310 12.873 ( -0.397 0.237 0.256) 0.529 12.886 ( -0.022 -0.454 0.236) 0.512 12.947 ( 0.345 0.712 0.329) 0.857 12.965 ( 0.243 -0.236 0.375) 0.506 13.442 ( 0.151 0.367 0.438) 0.591 13.467 ( -0.017 -0.487 0.406) 0.635 13.505 ( 0.402 1.226 -0.419) 1.356 13.537 ( -0.487 0.115 -0.764) 0.913 23.920 ( -1.465 3.476 -0.394) 3.793 24.151 ( -2.505 -5.354 3.798) 7.026 24.206 ( 2.082 6.004 -2.526) 6.838 24.588 ( 3.184 -11.883 1.073) 12.349 25.134 ( -2.726 5.990 1.492) 6.748 25.392 ( -0.645 -5.895 0.868) 5.993 25.758 ( -2.966 6.902 -2.475) 7.910 25.896 ( -1.125 1.306 -3.756) 4.133 ======================= Grid point 66 (34/88) ======================= q-point: ( 0.43 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 7.356 3.571 0.344) 8.184 1.565 ( -0.243 0.078 -1.623) 1.643 1.710 ( -4.420 -1.168 -2.798) 5.360 1.721 ( 1.688 0.358 2.568) 3.094 1.898 ( 4.856 -1.643 -1.014) 5.226 1.966 ( 2.391 -2.093 -0.762) 3.267 2.040 ( -2.821 3.331 -0.834) 4.444 2.078 ( -1.812 0.256 -9.017) 9.201 2.149 ( -2.245 -1.871 -2.578) 3.897 2.221 ( 1.381 -4.493 -3.433) 5.820 2.412 ( -2.147 -0.682 2.637) 3.468 2.457 ( -4.756 -2.615 3.054) 6.228 2.787 ( -1.435 5.177 -3.843) 6.605 2.827 ( 0.333 1.245 -0.967) 1.611 2.899 ( 0.276 4.001 -2.781) 4.880 2.967 ( -0.105 0.447 0.122) 0.475 3.097 ( -4.295 8.083 -2.178) 9.409 3.201 ( -0.577 3.803 -1.705) 4.207 3.210 ( 0.234 1.805 2.363) 2.983 3.371 ( 2.203 -2.437 -3.013) 4.458 3.552 ( 7.952 2.672 2.727) 8.821 3.598 ( -0.657 3.948 0.267) 4.012 3.657 ( -0.949 -1.503 3.855) 4.245 3.748 ( 1.004 4.285 0.842) 4.481 3.887 ( 3.562 -1.819 -2.144) 4.538 3.989 ( 0.155 3.834 1.312) 4.055 4.090 ( 0.675 -4.288 1.268) 4.522 4.225 ( 3.235 2.066 -0.202) 3.844 4.320 ( 0.133 -8.141 3.146) 8.729 4.404 ( 2.020 -7.608 0.578) 7.893 4.513 ( -5.299 3.659 2.398) 6.872 4.614 ( 2.164 4.238 0.181) 4.762 4.721 ( -6.263 -1.543 0.295) 6.457 4.785 ( -0.442 1.334 0.083) 1.408 4.876 ( 0.477 -1.356 -4.001) 4.251 4.979 ( -0.790 -4.894 0.277) 4.965 5.830 ( 0.583 9.341 -0.335) 9.365 6.009 ( 1.435 4.903 -3.016) 5.933 6.237 ( -1.064 -5.955 0.641) 6.083 6.322 ( -1.808 -7.294 -1.757) 7.718 7.483 ( -0.658 5.652 -0.085) 5.691 7.565 ( 0.542 7.723 -1.285) 7.848 7.802 ( -0.600 -9.541 0.326) 9.565 7.939 ( 0.265 -9.847 -1.355) 9.943 8.116 ( 0.483 -0.797 1.970) 2.179 8.128 ( 0.102 -1.415 2.023) 2.471 8.153 ( 0.366 -0.061 0.412) 0.554 8.204 ( 0.649 -1.914 0.620) 2.114 10.451 ( -0.535 5.592 0.210) 5.621 10.635 ( 0.396 -2.790 -2.637) 3.860 10.838 ( 1.063 1.285 1.157) 2.029 10.879 ( 0.438 -0.225 -0.568) 0.752 11.626 ( -0.272 2.487 2.095) 3.263 11.723 ( -1.612 -1.982 4.068) 4.804 11.884 ( -0.074 3.139 -1.238) 3.375 12.016 ( 0.573 -3.122 0.047) 3.175 12.871 ( -0.111 0.319 0.342) 0.481 12.887 ( -0.038 -0.532 0.118) 0.546 12.950 ( -0.079 0.697 -0.130) 0.714 12.968 ( -0.154 -0.186 -0.082) 0.255 13.443 ( -0.205 0.477 -0.057) 0.522 13.469 ( -0.125 -0.458 0.265) 0.544 13.513 ( 0.654 0.624 -0.276) 0.945 13.520 ( -0.403 0.502 -0.715) 0.962 23.891 ( -0.626 2.544 -1.480) 3.009 24.076 ( -3.496 -4.645 -3.056) 6.568 24.269 ( 2.604 6.265 2.238) 7.144 24.621 ( 0.263 -9.886 -0.918) 9.932 25.110 ( -1.273 5.217 1.648) 5.618 25.373 ( -1.469 -6.803 -0.450) 6.974 25.697 ( -0.452 8.583 -2.096) 8.847 25.866 ( 0.615 0.715 -2.434) 2.610 ======================= Grid point 67 (35/88) ======================= q-point: (-0.43 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -8.571 7.616 0.699) 11.488 1.507 ( -10.003 4.606 -10.364) 15.122 1.612 ( 3.141 -1.971 -2.423) 4.429 1.726 ( -2.493 -3.945 -1.074) 4.788 1.879 ( -3.450 3.805 -8.819) 10.205 1.899 ( -4.907 0.173 -1.715) 5.201 1.961 ( 0.156 1.629 -4.663) 4.942 2.053 ( -1.994 -3.816 -4.713) 6.384 2.107 ( 2.405 1.179 1.927) 3.300 2.194 ( -1.327 -3.155 -0.028) 3.423 2.339 ( -6.838 -0.549 -0.259) 6.865 2.356 ( -4.856 1.382 -1.690) 5.324 2.767 ( 2.571 3.793 -3.092) 5.528 2.840 ( -3.080 5.761 -2.574) 7.021 2.866 ( 4.056 -0.545 -1.599) 4.393 2.985 ( 1.672 -0.038 -0.293) 1.698 3.024 ( -0.529 10.483 -2.321) 10.750 3.162 ( 1.096 3.419 -1.365) 3.842 3.252 ( 1.042 -2.855 1.605) 3.437 3.387 ( 2.085 -4.791 -1.972) 5.585 3.554 ( -3.895 1.117 0.016) 4.052 3.616 ( -3.282 -0.730 1.787) 3.807 3.736 ( 6.078 3.438 4.953) 8.561 3.817 ( 1.786 2.879 2.009) 3.939 3.941 ( 1.036 3.638 3.437) 5.111 3.987 ( -1.200 1.851 1.053) 2.444 4.143 ( 2.102 -1.532 2.708) 3.754 4.250 ( -2.537 -0.617 0.890) 2.759 4.341 ( 0.012 -6.771 1.932) 7.041 4.434 ( 0.174 -6.542 2.179) 6.897 4.466 ( -0.122 1.824 0.584) 1.919 4.629 ( -3.159 -3.031 0.542) 4.411 4.709 ( 6.101 1.149 -0.130) 6.210 4.798 ( 0.525 2.286 -1.017) 2.556 4.830 ( 0.247 -2.400 -4.284) 4.917 4.952 ( -0.921 -4.585 -1.302) 4.854 5.837 ( 0.377 8.050 -0.568) 8.079 6.026 ( 3.288 2.998 -4.027) 6.001 6.231 ( -1.559 -5.199 0.233) 5.433 6.283 ( 0.725 -4.175 -1.329) 4.441 7.465 ( -0.718 6.130 -0.669) 6.208 7.559 ( 0.288 7.874 -1.521) 8.025 7.801 ( 0.237 -9.755 0.473) 9.769 7.919 ( -0.594 -9.451 -1.771) 9.634 8.122 ( -1.063 -0.797 1.864) 2.290 8.151 ( 0.197 -1.661 2.627) 3.114 8.198 ( 1.996 0.557 2.188) 3.013 8.236 ( 1.412 -1.300 1.536) 2.458 10.445 ( -0.285 5.439 0.113) 5.448 10.620 ( 0.825 -2.701 -2.848) 4.011 10.845 ( -1.087 1.600 1.000) 2.178 10.909 ( 2.396 -0.227 0.158) 2.412 11.643 ( -0.242 1.607 2.422) 2.917 11.729 ( -2.098 -2.429 4.915) 5.870 11.886 ( 1.512 3.649 -1.058) 4.089 12.033 ( 0.984 -3.226 0.424) 3.399 12.875 ( 0.077 0.253 0.510) 0.575 12.887 ( -0.120 -0.399 0.170) 0.450 12.942 ( -0.477 0.638 -0.413) 0.897 12.959 ( -0.414 -0.241 -0.366) 0.603 13.436 ( -0.328 0.409 -0.105) 0.535 13.466 ( -0.384 -0.863 0.144) 0.956 13.505 ( -0.290 1.195 -0.864) 1.502 13.527 ( 0.854 0.248 -0.391) 0.971 23.872 ( 0.496 2.007 -1.910) 2.814 23.988 ( -1.449 -1.746 -4.922) 5.420 24.326 ( 0.387 3.112 3.463) 4.672 24.576 ( -3.230 -8.254 -3.061) 9.377 25.117 ( 0.233 4.422 2.267) 4.975 25.337 ( -0.917 -6.090 -1.930) 6.454 25.711 ( 3.254 8.886 -1.015) 9.518 25.870 ( 2.586 1.396 -2.903) 4.131 ======================= Grid point 68 (36/88) ======================= q-point: (-0.29 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -11.735 14.426 -6.740) 19.780 1.233 ( -11.978 12.213 2.309) 17.262 1.568 ( -1.444 -3.284 -7.231) 8.072 1.620 ( -7.259 -1.947 2.657) 7.972 1.776 ( -2.372 -0.669 -4.562) 5.185 1.812 ( -3.421 0.289 0.172) 3.438 1.873 ( -6.502 -2.945 -4.004) 8.184 1.945 ( 0.848 0.563 -4.990) 5.093 2.118 ( -6.225 6.722 -0.843) 9.200 2.197 ( 0.583 -0.295 3.277) 3.341 2.215 ( -2.945 2.564 -3.668) 5.357 2.272 ( -0.783 0.924 -0.664) 1.381 2.744 ( -1.143 5.311 -0.304) 5.441 2.868 ( 5.723 3.727 -1.201) 6.935 2.926 ( 2.719 -0.695 -0.686) 2.889 3.007 ( 0.059 2.471 0.816) 2.603 3.042 ( 4.945 5.322 -2.440) 7.664 3.223 ( 4.273 1.357 -0.220) 4.489 3.277 ( 2.194 -4.490 -0.934) 5.084 3.381 ( -2.293 -4.752 -1.632) 5.523 3.517 ( -0.360 -0.893 3.150) 3.293 3.568 ( -3.190 -2.172 2.414) 4.552 3.821 ( -1.264 4.810 -2.236) 5.452 3.855 ( 1.810 3.930 4.389) 6.163 3.954 ( -2.268 2.769 1.456) 3.864 3.998 ( -0.282 1.461 4.484) 4.725 4.117 ( -5.567 -1.971 -4.364) 7.343 4.236 ( 0.080 0.524 6.582) 6.603 4.352 ( 0.409 -4.874 -0.650) 4.934 4.439 ( -2.003 -6.235 3.647) 7.495 4.524 ( 3.695 -3.071 -0.012) 4.805 4.603 ( 0.227 -2.691 -1.490) 3.084 4.699 ( -3.158 3.192 -5.037) 6.748 4.806 ( 2.998 -1.880 -3.399) 4.907 4.874 ( 2.853 -0.373 1.307) 3.160 4.951 ( 2.611 -4.672 0.302) 5.360 5.833 ( 0.161 5.451 -0.906) 5.528 6.014 ( 0.722 -1.285 -9.027) 9.147 6.199 ( -1.161 0.686 2.316) 2.680 6.324 ( 3.005 -3.597 0.029) 4.688 7.446 ( -0.589 7.014 -0.632) 7.067 7.552 ( 0.412 7.485 -1.170) 7.587 7.816 ( 0.664 -10.378 0.452) 10.409 7.893 ( -0.475 -9.671 -1.199) 9.756 8.129 ( -0.139 0.458 2.443) 2.490 8.177 ( 0.233 -1.218 1.609) 2.031 8.241 ( 0.629 0.676 1.230) 1.538 8.280 ( 1.447 -1.051 1.438) 2.295 10.442 ( -0.173 5.488 0.238) 5.496 10.616 ( 1.483 -2.221 -2.803) 3.871 10.825 ( -1.882 2.773 0.911) 3.473 10.957 ( 2.925 -1.049 -1.255) 3.351 11.659 ( -0.666 0.380 2.809) 2.912 11.731 ( -2.755 -2.985 5.313) 6.688 11.920 ( 2.579 3.745 -0.647) 4.593 12.065 ( 1.987 -2.807 0.396) 3.462 12.880 ( -0.142 0.083 0.482) 0.509 12.884 ( -0.361 -0.166 0.253) 0.471 12.930 ( -0.361 0.570 -0.166) 0.695 12.950 ( -0.225 -0.474 -0.129) 0.540 13.431 ( -0.273 0.133 0.299) 0.426 13.457 ( -0.779 -1.055 0.145) 1.319 13.490 ( -0.193 1.846 -1.161) 2.189 13.537 ( 0.777 -0.187 -0.678) 1.048 23.884 ( 2.363 2.236 -0.598) 3.308 23.941 ( 1.181 0.575 -4.288) 4.484 24.345 ( -2.063 -0.714 3.977) 4.537 24.438 ( -7.119 -5.013 -4.820) 9.951 25.164 ( 1.966 3.027 3.263) 4.866 25.305 ( -0.462 -4.212 -2.450) 4.895 25.783 ( 4.466 7.898 -0.877) 9.115 25.922 ( 6.774 2.751 -4.261) 8.462 ======================= Grid point 69 (37/88) ======================= q-point: (-0.14 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -4.516 18.172 5.286) 19.457 1.051 ( -12.099 15.261 9.210) 21.543 1.506 ( -6.283 0.084 5.230) 8.175 1.545 ( 2.165 -5.145 -0.133) 5.584 1.707 ( -2.996 -1.961 0.899) 3.691 1.728 ( -5.442 6.574 1.752) 8.713 1.768 ( -0.139 -2.558 0.015) 2.562 1.961 ( 2.109 1.283 0.125) 2.471 1.993 ( -2.952 6.456 -2.651) 7.578 2.151 ( -0.031 2.788 -4.227) 5.063 2.238 ( 1.183 -0.022 0.964) 1.526 2.274 ( 0.362 -1.592 -0.118) 1.637 2.745 ( 0.080 5.529 1.259) 5.671 2.945 ( -0.051 0.615 0.055) 0.619 2.969 ( 4.724 2.835 -0.258) 5.516 3.015 ( 0.863 1.629 -1.117) 2.155 3.112 ( 3.105 4.724 -0.771) 5.705 3.258 ( 2.675 -1.037 -3.950) 4.882 3.292 ( -3.779 -3.057 -1.333) 5.040 3.350 ( 2.565 -3.232 -0.740) 4.192 3.517 ( -4.005 -2.250 0.336) 4.606 3.565 ( -1.204 -2.553 1.862) 3.381 3.759 ( 0.720 3.939 -4.012) 5.668 3.897 ( -1.307 4.704 2.408) 5.444 3.906 ( -2.801 1.337 -1.329) 3.377 3.951 ( -3.222 -1.169 -2.736) 4.386 4.051 ( 0.463 3.555 4.976) 6.133 4.293 ( -0.192 -0.211 2.998) 3.011 4.343 ( -2.188 -3.888 -1.425) 4.684 4.410 ( -1.525 -6.456 -0.110) 6.635 4.543 ( 0.104 -2.096 -0.785) 2.240 4.606 ( 1.668 -1.329 -0.395) 2.169 4.636 ( -0.363 2.046 -0.434) 2.122 4.823 ( 1.365 -3.031 0.175) 3.329 4.932 ( 2.062 1.347 1.359) 2.813 5.035 ( 3.224 -5.112 2.029) 6.375 5.836 ( 0.922 2.409 -1.178) 2.835 5.932 ( 0.079 -1.015 -4.963) 5.066 6.221 ( 0.798 2.789 1.609) 3.317 6.377 ( 2.271 -4.207 0.057) 4.782 7.437 ( -0.003 7.454 0.282) 7.460 7.554 ( 0.667 6.694 -0.666) 6.760 7.830 ( 0.360 -10.917 0.595) 10.939 7.880 ( -0.093 -9.974 -0.531) 9.989 8.151 ( 0.148 0.771 0.344) 0.857 8.180 ( -0.491 -0.358 -0.055) 0.610 8.247 ( -0.394 1.031 -0.298) 1.143 8.303 ( 0.168 -1.285 -0.272) 1.324 10.442 ( -0.146 5.797 0.566) 5.827 10.624 ( 2.016 -1.382 -2.605) 3.572 10.795 ( -1.936 3.796 0.705) 4.320 10.986 ( 2.519 -2.217 -4.072) 5.276 11.667 ( -1.792 -0.600 3.536) 4.009 11.721 ( -2.978 -2.565 4.303) 5.828 11.957 ( 1.733 3.466 -1.026) 4.009 12.104 ( 1.707 -3.339 -1.273) 3.960 12.876 ( -0.357 0.054 0.287) 0.462 12.882 ( -0.360 -0.172 0.582) 0.705 12.927 ( -0.055 0.505 0.221) 0.553 12.947 ( -0.188 -0.656 0.217) 0.716 13.432 ( -0.122 -0.355 0.782) 0.868 13.439 ( -1.021 -0.696 0.026) 1.236 13.484 ( 0.397 2.180 -0.410) 2.254 13.545 ( 0.732 -0.441 -0.687) 1.096 23.943 ( 2.876 3.021 -0.848) 4.256 23.977 ( 5.402 2.663 1.242) 6.149 24.247 ( -6.873 -1.672 -2.165) 7.397 24.333 ( -3.428 -4.479 3.943) 6.882 25.245 ( 2.427 0.438 3.947) 4.654 25.271 ( -0.765 -1.291 -1.809) 2.351 25.839 ( 2.835 7.747 -2.340) 8.575 26.040 ( 9.392 0.663 -6.755) 11.587 ======================= Grid point 70 (38/88) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -4.083 -14.418 6.921) 16.506 1.233 ( -4.083 14.418 6.921) 16.506 1.411 ( 2.759 -15.573 8.417) 17.916 1.411 ( 2.759 15.573 8.417) 17.916 1.778 ( 5.679 -1.552 3.557) 6.878 1.778 ( 5.679 1.552 3.557) 6.878 1.957 ( 1.537 -6.048 3.101) 6.968 1.957 ( 1.537 6.048 3.101) 6.968 2.062 ( -1.937 -6.224 -4.523) 7.934 2.062 ( -1.937 6.224 -4.523) 7.934 2.267 ( 2.232 -1.751 1.321) 3.129 2.267 ( 2.232 1.751 1.321) 3.129 2.885 ( -0.756 -4.929 2.403) 5.535 2.885 ( -0.756 4.929 2.403) 5.535 3.041 ( 0.716 -1.085 -1.540) 2.016 3.041 ( 0.716 1.085 -1.540) 2.016 3.246 ( 1.421 -3.693 -0.324) 3.970 3.246 ( 1.421 3.693 -0.324) 3.970 3.288 ( 0.832 -3.453 0.554) 3.595 3.288 ( 0.832 3.453 0.554) 3.595 3.434 ( -3.536 -4.724 -2.626) 6.459 3.434 ( -3.536 4.724 -2.626) 6.459 3.787 ( -0.498 -2.627 -5.337) 5.969 3.787 ( -0.498 2.627 -5.337) 5.969 3.961 ( -0.273 -3.055 0.683) 3.142 3.961 ( -0.273 3.055 0.683) 3.142 4.159 ( -1.437 -6.663 -1.129) 6.910 4.159 ( -1.437 6.663 -1.129) 6.910 4.285 ( -1.685 -4.819 -0.802) 5.168 4.285 ( -1.685 4.819 -0.802) 5.168 4.593 ( 3.017 -1.318 0.503) 3.331 4.593 ( 3.017 1.318 0.503) 3.331 4.789 ( 1.667 -5.426 4.860) 7.473 4.789 ( 1.667 5.426 4.860) 7.473 4.991 ( -1.377 -2.863 0.518) 3.219 4.991 ( -1.377 2.863 0.518) 3.219 5.907 ( 2.771 -4.277 0.344) 5.108 5.907 ( 2.771 4.277 0.344) 5.108 6.303 ( -0.233 -4.791 -0.522) 4.825 6.303 ( -0.233 4.791 -0.522) 4.825 7.627 ( 0.349 -10.180 0.967) 10.232 7.627 ( 0.349 10.180 0.967) 10.232 7.703 ( 0.472 -7.905 -0.063) 7.919 7.703 ( 0.472 7.905 -0.063) 7.919 8.143 ( -1.505 -1.719 -1.987) 3.028 8.143 ( -1.505 1.719 -1.987) 3.028 8.248 ( -1.059 -1.513 -2.013) 2.732 8.248 ( -1.059 1.513 -2.013) 2.732 10.566 ( 0.665 -5.516 0.037) 5.556 10.566 ( 0.665 5.516 0.037) 5.556 10.880 ( -0.111 -6.064 -2.555) 6.581 10.880 ( -0.111 6.064 -2.555) 6.581 11.676 ( -1.724 -1.831 3.038) 3.943 11.676 ( -1.724 1.831 3.038) 3.943 12.028 ( -0.097 -3.314 -2.411) 4.099 12.028 ( -0.097 3.314 -2.411) 4.099 12.878 ( -0.205 -0.114 0.608) 0.652 12.878 ( -0.205 0.114 0.608) 0.652 12.939 ( 0.068 -0.473 0.374) 0.607 12.939 ( 0.068 0.473 0.374) 0.607 13.430 ( -0.018 -0.476 0.871) 0.993 13.430 ( -0.018 0.476 0.871) 0.993 13.532 ( 0.618 -1.621 -0.330) 1.765 13.532 ( 0.618 1.621 -0.330) 1.765 24.106 ( 2.515 -6.914 2.511) 7.774 24.106 ( 2.515 6.914 2.511) 7.774 24.168 ( -1.208 -7.350 0.966) 7.511 24.168 ( -1.208 7.350 0.966) 7.511 25.278 ( -0.114 -2.683 2.110) 3.415 25.278 ( -0.114 2.683 2.110) 3.415 25.997 ( 1.261 -6.811 -5.090) 8.596 25.997 ( 1.261 6.811 -5.090) 8.596 ======================= Grid point 72 (39/88) ======================= q-point: ( 0.14 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 3.494 -13.985 4.437) 15.082 1.285 ( 3.494 13.985 4.437) 15.082 1.544 ( 3.744 -13.361 6.510) 15.327 1.544 ( 3.744 13.361 6.510) 15.327 1.904 ( -0.251 -2.478 0.593) 2.560 1.904 ( -0.251 2.478 0.593) 2.560 1.988 ( 3.632 -1.195 0.017) 3.824 1.988 ( 3.632 1.195 0.017) 3.824 2.083 ( 4.807 -2.479 3.261) 6.315 2.083 ( 4.807 2.479 3.261) 6.315 2.338 ( 2.313 -2.337 4.131) 5.280 2.338 ( 2.313 2.337 4.131) 5.280 2.902 ( 0.408 -3.444 1.374) 3.730 2.902 ( 0.408 3.444 1.374) 3.730 3.020 ( -1.610 -0.951 -0.584) 1.958 3.020 ( -1.610 0.951 -0.584) 1.958 3.272 ( -0.823 -5.799 0.394) 5.870 3.272 ( -0.823 5.799 0.394) 5.870 3.298 ( 1.253 -2.252 -0.206) 2.586 3.298 ( 1.253 2.252 -0.206) 2.586 3.375 ( 0.388 -4.024 -1.463) 4.299 3.375 ( 0.388 4.024 -1.463) 4.299 3.742 ( 1.258 -3.795 -4.709) 6.178 3.742 ( 1.258 3.795 -4.709) 6.178 3.947 ( -0.661 -0.763 -1.664) 1.947 3.947 ( -0.661 0.763 -1.664) 1.947 4.133 ( -0.701 -3.143 0.433) 3.249 4.133 ( -0.701 3.143 0.433) 3.249 4.246 ( -0.760 -4.760 -1.832) 5.157 4.246 ( -0.760 4.760 -1.832) 5.157 4.655 ( 1.525 -2.276 2.236) 3.536 4.655 ( 1.525 2.276 2.236) 3.536 4.852 ( 0.858 -3.004 1.965) 3.690 4.852 ( 0.858 3.004 1.965) 3.690 4.931 ( -4.450 -3.308 0.079) 5.546 4.931 ( -4.450 3.308 0.079) 5.546 5.975 ( 3.329 -7.516 -0.201) 8.222 5.975 ( 3.329 7.516 -0.201) 8.222 6.274 ( -2.264 -5.205 -0.239) 5.681 6.274 ( -2.264 5.205 -0.239) 5.681 7.637 ( -0.219 -9.256 0.650) 9.281 7.637 ( -0.219 9.256 0.650) 9.281 7.717 ( 0.929 -8.354 0.053) 8.406 7.717 ( 0.929 8.354 0.053) 8.406 8.094 ( -1.309 -1.957 -1.267) 2.674 8.094 ( -1.309 1.957 -1.267) 2.674 8.208 ( -0.868 -1.093 -2.285) 2.677 8.208 ( -0.868 1.093 -2.285) 2.677 10.575 ( 0.104 -5.460 0.110) 5.462 10.575 ( 0.104 5.460 0.110) 5.462 10.857 ( 0.230 -4.734 -2.217) 5.233 10.857 ( 0.230 4.734 -2.217) 5.233 11.672 ( -1.462 -2.392 2.823) 3.979 11.672 ( -1.462 2.392 2.823) 3.979 11.994 ( -0.815 -2.397 -2.274) 3.403 11.994 ( -0.815 2.397 -2.274) 3.403 12.880 ( -0.189 -0.092 0.448) 0.495 12.880 ( -0.189 0.092 0.448) 0.495 12.947 ( 0.338 -0.511 0.519) 0.804 12.947 ( 0.338 0.511 0.519) 0.804 13.442 ( 0.268 -0.783 0.926) 1.242 13.442 ( 0.268 0.783 0.926) 1.242 13.536 ( 0.153 -1.337 -0.615) 1.480 13.536 ( 0.153 1.337 -0.615) 1.480 24.070 ( -3.994 -6.462 2.201) 7.909 24.070 ( -3.994 6.462 2.201) 7.909 24.271 ( 5.956 -8.137 1.058) 10.140 24.271 ( 5.956 8.137 1.058) 10.140 25.284 ( -1.461 -5.326 2.253) 5.964 25.284 ( -1.461 5.326 2.253) 5.964 25.941 ( -1.700 -4.996 -4.748) 7.099 25.941 ( -1.700 4.996 -4.748) 7.099 ======================= Grid point 74 (40/88) ======================= q-point: ( 0.29 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 6.389 -10.610 1.089) 12.432 1.414 ( 6.389 10.610 1.089) 12.432 1.679 ( 3.831 -7.568 5.179) 9.938 1.679 ( 3.831 7.568 5.179) 9.938 1.852 ( -0.276 -1.216 -3.304) 3.532 1.852 ( -0.276 1.216 -3.304) 3.532 2.081 ( 2.572 -1.758 2.565) 4.035 2.081 ( 2.572 1.758 2.565) 4.035 2.176 ( 2.347 -1.908 -1.895) 3.569 2.176 ( 2.347 1.908 -1.895) 3.569 2.411 ( 0.105 -1.975 5.010) 5.386 2.411 ( 0.105 1.975 5.010) 5.386 2.899 ( -1.062 -2.794 -1.925) 3.555 2.899 ( -1.062 2.794 -1.925) 3.555 2.977 ( -2.348 -1.725 0.191) 2.920 2.977 ( -2.348 1.725 0.191) 2.920 3.232 ( -1.186 -2.916 -0.383) 3.171 3.232 ( -1.186 2.916 -0.383) 3.171 3.309 ( -0.665 -6.283 0.096) 6.319 3.309 ( -0.665 6.283 0.096) 6.319 3.456 ( 7.456 -5.115 0.718) 9.070 3.456 ( 7.456 5.115 0.718) 9.070 3.730 ( 0.234 -6.537 -3.481) 7.410 3.730 ( 0.234 6.537 -3.481) 7.410 3.929 ( 0.799 -6.291 -0.501) 6.362 3.929 ( 0.799 6.291 -0.501) 6.362 4.133 ( -0.630 -6.275 1.297) 6.439 4.133 ( -0.630 6.275 1.297) 6.439 4.240 ( 1.888 -4.081 -0.858) 4.577 4.240 ( 1.888 4.081 -0.858) 4.577 4.673 ( -2.550 -2.737 2.950) 4.764 4.673 ( -2.550 2.737 2.950) 4.764 4.812 ( -3.691 -0.476 -1.927) 4.191 4.812 ( -3.691 0.476 -1.927) 4.191 4.893 ( -0.154 -2.212 0.510) 2.276 4.893 ( -0.154 2.212 0.510) 2.276 6.009 ( 1.614 -8.354 -2.391) 8.838 6.009 ( 1.614 8.354 -2.391) 8.838 6.225 ( -2.569 -5.405 0.560) 6.011 6.225 ( -2.569 5.405 0.560) 6.011 7.630 ( -0.708 -8.119 0.095) 8.150 7.630 ( -0.708 8.119 0.095) 8.150 7.736 ( 1.028 -9.125 -0.246) 9.186 7.736 ( 1.028 9.125 -0.246) 9.186 8.084 ( 0.384 -0.394 0.916) 1.068 8.084 ( 0.384 0.394 0.916) 1.068 8.175 ( -0.656 -1.247 -1.329) 1.937 8.175 ( -0.656 1.247 -1.329) 1.937 10.570 ( -0.398 -5.289 -0.324) 5.314 10.570 ( -0.398 5.289 -0.324) 5.314 10.851 ( 0.786 -2.818 -1.067) 3.114 10.851 ( 0.786 2.818 -1.067) 3.114 11.673 ( -1.184 -2.688 2.750) 4.024 11.673 ( -1.184 2.688 2.750) 4.024 11.963 ( -0.525 -2.790 -1.425) 3.176 11.963 ( -0.525 2.790 -1.425) 3.176 12.879 ( -0.206 -0.328 0.231) 0.451 12.879 ( -0.206 0.328 0.231) 0.451 12.958 ( 0.323 -0.487 0.338) 0.675 12.958 ( 0.323 0.487 0.338) 0.675 13.454 ( 0.112 -0.776 0.637) 1.011 13.454 ( 0.112 0.776 0.637) 1.011 13.528 ( -0.093 -0.946 -0.800) 1.243 13.528 ( -0.093 0.946 -0.800) 1.243 24.019 ( -2.934 -6.525 0.732) 7.191 24.019 ( -2.934 6.525 0.732) 7.191 24.374 ( 4.013 -10.077 0.297) 10.851 24.374 ( 4.013 10.077 0.297) 10.851 25.266 ( -2.266 -7.027 1.664) 7.569 25.266 ( -2.266 7.027 1.664) 7.569 25.867 ( -1.616 -3.963 -3.407) 5.471 25.867 ( -1.616 3.963 -3.407) 5.471 ======================= Grid point 76 (41/88) ======================= q-point: ( 0.43 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 3.882 -4.468 -0.588) 5.948 1.520 ( 3.882 4.468 -0.588) 5.948 1.707 ( -2.871 -1.232 0.247) 3.134 1.707 ( -2.871 1.232 0.247) 3.134 1.907 ( 5.042 -2.762 1.165) 5.866 1.907 ( 5.042 2.762 1.165) 5.866 2.095 ( -2.248 -2.342 -3.767) 4.973 2.095 ( -2.248 2.342 -3.767) 4.973 2.143 ( -0.012 -3.649 -4.607) 5.877 2.143 ( -0.012 3.649 -4.607) 5.877 2.415 ( -3.624 -1.345 2.991) 4.888 2.415 ( -3.624 1.345 2.991) 4.888 2.843 ( -1.022 -0.398 -3.163) 3.347 2.843 ( -1.022 0.398 -3.163) 3.347 2.949 ( 0.018 -1.978 -1.012) 2.222 2.949 ( 0.018 1.978 -1.012) 2.222 3.215 ( -1.574 -1.221 0.319) 2.017 3.215 ( -1.574 1.221 0.319) 2.017 3.290 ( -0.425 -5.752 -1.731) 6.021 3.290 ( -0.425 5.752 -1.731) 6.021 3.621 ( 5.849 -2.607 1.811) 6.655 3.621 ( 5.849 2.607 1.811) 6.655 3.680 ( -0.101 -6.169 -2.190) 6.547 3.680 ( -0.101 6.169 -2.190) 6.547 3.975 ( 1.982 -7.003 3.367) 8.020 3.975 ( 1.982 7.003 3.367) 8.020 4.131 ( -0.688 -9.537 1.402) 9.664 4.131 ( -0.688 9.537 1.402) 9.664 4.292 ( 2.914 -4.703 0.508) 5.556 4.292 ( 2.914 4.703 0.508) 5.556 4.609 ( -5.642 -4.689 1.828) 7.560 4.609 ( -5.642 4.689 1.828) 7.560 4.757 ( -0.175 -4.694 -1.367) 4.892 4.757 ( -0.175 4.694 -1.367) 4.892 4.888 ( -0.156 -3.136 -1.533) 3.495 4.888 ( -0.156 3.136 -1.533) 3.495 6.005 ( 1.041 -7.275 -3.275) 8.045 6.005 ( 1.041 7.275 -3.275) 8.045 6.197 ( -1.122 -4.263 1.208) 4.571 6.197 ( -1.122 4.263 1.208) 4.571 7.618 ( -0.451 -8.053 -0.117) 8.067 7.618 ( -0.451 8.053 -0.117) 8.067 7.745 ( 0.397 -9.590 -1.044) 9.654 7.745 ( 0.397 9.590 -1.044) 9.654 8.109 ( 0.091 -0.363 2.049) 2.083 8.109 ( 0.091 0.363 2.049) 2.083 8.170 ( 0.805 -1.486 0.701) 1.830 8.170 ( 0.805 1.486 0.701) 1.830 10.557 ( -0.315 -5.036 -0.839) 5.115 10.557 ( -0.315 5.036 -0.839) 5.115 10.864 ( 0.936 -1.251 -0.007) 1.563 10.864 ( 0.936 1.251 -0.007) 1.563 11.678 ( -1.128 -2.622 2.940) 4.098 11.678 ( -1.128 2.622 2.940) 4.098 11.950 ( 0.295 -3.581 -0.760) 3.672 11.950 ( 0.295 3.581 -0.760) 3.672 12.878 ( -0.063 -0.414 0.228) 0.476 12.878 ( -0.063 0.414 0.228) 0.476 12.962 ( -0.110 -0.451 -0.136) 0.484 12.962 ( -0.110 0.451 -0.136) 0.484 13.456 ( -0.268 -0.762 0.177) 0.827 13.456 ( -0.268 0.762 0.177) 0.827 13.522 ( 0.212 -0.259 -0.611) 0.696 13.522 ( 0.212 0.259 -0.611) 0.696 23.970 ( -1.844 -5.345 -1.376) 5.819 23.970 ( -1.844 5.345 -1.376) 5.819 24.428 ( 1.467 -9.512 0.011) 9.625 24.428 ( 1.467 9.512 0.011) 9.625 25.237 ( -1.754 -7.194 0.859) 7.455 25.237 ( -1.754 7.194 0.859) 7.455 25.827 ( 0.382 -4.614 -2.309) 5.173 25.827 ( 0.382 4.614 -2.309) 5.173 ======================= Grid point 78 (42/88) ======================= q-point: (-0.43 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -1.366 -6.010 -0.538) 6.187 1.539 ( -1.366 6.010 -0.538) 6.187 1.611 ( -5.577 -6.323 -4.585) 9.597 1.611 ( -5.577 6.323 -4.585) 9.597 1.920 ( -4.754 -1.329 -1.058) 5.049 1.920 ( -4.754 1.329 -1.058) 5.049 1.984 ( -1.617 -2.700 -8.125) 8.713 1.984 ( -1.617 2.700 -8.125) 8.713 2.142 ( 1.275 -2.481 2.528) 3.764 2.142 ( 1.275 2.481 2.528) 3.764 2.347 ( -4.211 -1.202 -0.147) 4.382 2.347 ( -4.211 1.202 -0.147) 4.382 2.832 ( 2.813 -2.649 -2.700) 4.713 2.832 ( 2.813 2.649 -2.700) 4.713 2.946 ( -0.006 -4.046 -1.263) 4.239 2.946 ( -0.006 4.046 -1.263) 4.239 3.185 ( 0.165 -4.440 -1.751) 4.776 3.185 ( 0.165 4.440 -1.751) 4.776 3.266 ( -0.005 -7.401 -1.765) 7.608 3.266 ( -0.005 7.401 -1.765) 7.608 3.584 ( -3.957 -1.945 0.004) 4.409 3.584 ( -3.957 1.945 0.004) 4.409 3.804 ( 5.619 -3.167 2.909) 7.075 3.804 ( 5.619 3.167 2.909) 7.075 4.035 ( -0.556 -2.919 3.963) 4.953 4.035 ( -0.556 2.919 3.963) 4.953 4.138 ( 0.246 -6.143 1.918) 6.441 4.138 ( 0.246 6.143 1.918) 6.441 4.327 ( -0.890 -3.991 1.935) 4.524 4.327 ( -0.890 3.991 1.935) 4.524 4.541 ( -1.238 -5.004 -0.604) 5.190 4.541 ( -1.238 5.004 -0.604) 5.190 4.767 ( 2.087 -3.696 -1.454) 4.487 4.767 ( 2.087 3.696 -1.454) 4.487 4.863 ( -0.172 -4.069 -2.129) 4.595 4.863 ( -0.172 4.069 -2.129) 4.595 5.988 ( 0.399 -6.707 -4.161) 7.903 5.988 ( 0.399 6.707 -4.161) 7.903 6.207 ( 0.802 -2.891 1.624) 3.412 6.207 ( 0.802 2.891 1.624) 3.412 7.612 ( 0.004 -8.683 -0.261) 8.687 7.612 ( 0.004 8.683 -0.261) 8.687 7.733 ( -0.271 -9.238 -1.529) 9.367 7.733 ( -0.271 9.238 -1.529) 9.367 8.124 ( -0.350 -0.954 2.687) 2.873 8.124 ( -0.350 0.954 2.687) 2.873 8.213 ( 1.791 -1.006 1.969) 2.845 8.213 ( 1.791 1.006 1.969) 2.845 10.546 ( 0.185 -4.790 -1.096) 4.917 10.546 ( 0.185 4.790 -1.096) 4.917 10.883 ( 0.811 -2.029 0.439) 2.229 10.883 ( 0.811 2.029 0.439) 2.229 11.683 ( -1.392 -2.352 3.249) 4.245 11.683 ( -1.392 2.352 3.249) 4.245 11.962 ( 1.497 -3.969 -0.411) 4.262 11.962 ( 1.497 3.969 -0.411) 4.262 12.880 ( -0.009 -0.304 0.354) 0.467 12.880 ( -0.009 0.304 0.354) 0.467 12.953 ( -0.469 -0.455 -0.455) 0.796 12.953 ( -0.469 0.455 -0.455) 0.796 13.449 ( -0.512 -0.842 0.046) 0.987 13.449 ( -0.512 0.842 0.046) 0.987 13.523 ( 0.410 -0.604 -0.725) 1.029 13.523 ( 0.410 0.604 -0.725) 1.029 23.930 ( -0.123 -3.591 -2.589) 4.429 23.930 ( -0.123 3.591 -2.589) 4.429 24.426 ( -1.742 -6.887 -0.030) 7.103 24.426 ( -1.742 6.887 -0.030) 7.103 25.221 ( -0.358 -5.887 0.379) 5.910 25.221 ( -0.358 5.887 0.379) 5.910 25.841 ( 3.061 -4.338 -1.932) 5.649 25.841 ( 3.061 4.338 -1.932) 5.649 ======================= Grid point 80 (43/88) ======================= q-point: (-0.29 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -6.001 -10.279 -7.019) 13.817 1.422 ( -6.001 10.279 -7.019) 13.817 1.469 ( -8.197 -10.369 3.680) 13.720 1.469 ( -8.197 10.369 3.680) 13.720 1.781 ( -5.069 -2.070 -3.834) 6.684 1.781 ( -5.069 2.070 -3.834) 6.684 1.917 ( -0.214 -3.557 -2.706) 4.474 1.917 ( -0.214 3.557 -2.706) 4.474 2.188 ( -0.322 -1.039 3.122) 3.306 2.188 ( -0.322 1.039 3.122) 3.306 2.265 ( -3.053 -2.034 -2.133) 4.244 2.265 ( -3.053 2.034 -2.133) 4.244 2.874 ( 1.787 -5.764 -0.968) 6.112 2.874 ( 1.787 5.764 -0.968) 6.112 2.944 ( 2.222 -4.455 -0.064) 4.979 2.944 ( 2.222 4.455 -0.064) 4.979 3.192 ( 2.157 -5.910 -2.713) 6.852 3.192 ( 2.157 5.910 -2.713) 6.852 3.274 ( 1.661 -4.869 -0.617) 5.181 3.274 ( 1.661 4.869 -0.617) 5.181 3.523 ( -2.774 -1.749 2.131) 3.911 3.523 ( -2.774 1.749 2.131) 3.911 3.895 ( 1.551 -1.661 0.883) 2.438 3.895 ( 1.551 1.661 0.883) 2.438 3.995 ( -4.705 -3.974 0.435) 6.174 3.995 ( -4.705 3.974 0.435) 6.174 4.180 ( 1.419 -7.815 1.745) 8.133 4.180 ( 1.419 7.815 1.745) 8.133 4.312 ( -2.737 -3.430 3.939) 5.896 4.312 ( -2.737 3.430 3.939) 5.896 4.544 ( 1.971 -3.039 -1.934) 4.106 4.544 ( 1.971 3.039 -1.934) 4.106 4.764 ( -0.614 -2.988 -3.426) 4.588 4.764 ( -0.614 2.988 -3.426) 4.588 4.884 ( 3.472 -1.823 0.766) 3.995 4.884 ( 3.472 1.823 0.766) 3.995 5.938 ( -1.132 -5.281 -4.262) 6.880 5.938 ( -1.132 5.281 -4.262) 6.880 6.250 ( 2.064 -3.722 1.026) 4.378 6.250 ( 2.064 3.722 1.026) 4.378 7.611 ( 0.133 -9.603 -0.268) 9.607 7.611 ( 0.133 9.603 -0.268) 9.607 7.713 ( -0.334 -8.504 -1.202) 8.595 7.713 ( -0.334 8.504 -1.202) 8.595 8.150 ( 0.369 -1.466 2.432) 2.863 8.150 ( 0.369 1.466 2.432) 2.863 8.258 ( 1.053 -1.102 1.410) 2.077 8.258 ( 1.053 1.102 1.410) 2.077 10.545 ( 0.649 -4.824 -0.969) 4.963 10.545 ( 0.649 4.824 -0.969) 4.963 10.899 ( 0.596 -4.193 -0.121) 4.237 10.899 ( 0.596 4.193 -0.121) 4.237 11.684 ( -1.712 -1.998 3.372) 4.277 11.684 ( -1.712 1.998 3.372) 4.277 11.997 ( 2.345 -3.980 -0.374) 4.635 11.997 ( 2.345 3.980 -0.374) 4.635 12.882 ( -0.269 -0.101 0.403) 0.495 12.882 ( -0.269 0.101 0.403) 0.495 12.940 ( -0.322 -0.526 -0.269) 0.673 12.940 ( -0.322 0.526 -0.269) 0.673 13.439 ( -0.663 -0.689 0.247) 0.988 13.439 ( -0.663 0.689 0.247) 0.988 13.522 ( 0.395 -1.311 -1.002) 1.697 13.522 ( 0.395 1.311 -1.002) 1.697 23.928 ( 2.398 -1.831 -1.923) 3.578 23.928 ( 2.398 1.831 -1.923) 3.578 24.361 ( -4.844 -2.586 0.017) 5.491 24.361 ( -4.844 2.586 0.017) 5.491 25.230 ( 0.720 -3.641 0.531) 3.749 25.230 ( 0.720 3.641 0.531) 3.749 25.903 ( 5.269 -4.133 -2.406) 7.116 25.903 ( 5.269 4.133 -2.406) 7.116 ======================= Grid point 82 (44/88) ======================= q-point: (-0.14 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -5.767 -11.744 3.066) 13.438 1.297 ( -5.767 11.744 3.066) 13.438 1.348 ( -5.601 -11.364 5.277) 13.725 1.348 ( -5.601 11.364 5.277) 13.725 1.708 ( 0.666 -2.147 -1.962) 2.984 1.708 ( 0.666 2.147 -1.962) 2.984 1.917 ( 0.306 -5.698 1.900) 6.014 1.917 ( 0.306 5.698 1.900) 6.014 2.149 ( -3.393 -5.476 -2.245) 6.822 2.149 ( -3.393 5.476 -2.245) 6.822 2.233 ( 1.006 -0.614 -0.686) 1.364 2.233 ( 1.006 0.614 -0.686) 1.364 2.882 ( -0.868 -7.136 2.040) 7.472 2.882 ( -0.868 7.136 2.040) 7.472 3.011 ( 3.655 -1.305 -0.928) 3.990 3.011 ( 3.655 1.305 -0.928) 3.990 3.216 ( 2.004 -4.706 -0.527) 5.142 3.216 ( 2.004 4.706 -0.527) 5.142 3.282 ( 0.339 -2.068 -1.522) 2.590 3.282 ( 0.339 2.068 -1.522) 2.590 3.509 ( -1.928 -1.712 0.625) 2.653 3.509 ( -1.928 1.712 0.625) 2.653 3.850 ( -2.134 -4.816 -4.186) 6.729 3.850 ( -2.134 4.816 -4.186) 6.729 3.957 ( -0.811 -1.150 1.787) 2.275 3.957 ( -0.811 1.150 1.787) 2.275 4.194 ( -0.560 -9.962 -0.988) 10.027 4.194 ( -0.560 9.962 -0.988) 10.027 4.307 ( -1.679 -1.215 3.220) 3.829 4.307 ( -1.679 1.215 3.220) 3.829 4.557 ( 1.681 -2.549 -2.478) 3.933 4.557 ( 1.681 2.549 -2.478) 3.933 4.735 ( -0.157 -5.824 1.732) 6.078 4.735 ( -0.157 5.824 1.732) 6.078 4.965 ( 2.915 -2.192 1.322) 3.880 4.965 ( 2.915 2.192 1.322) 3.880 5.889 ( -0.219 -2.906 -2.090) 3.587 5.889 ( -0.219 2.906 -2.090) 3.587 6.292 ( 1.570 -4.304 -0.055) 4.582 6.292 ( 1.570 4.304 -0.055) 4.582 7.614 ( 0.219 -10.183 0.320) 10.190 7.614 ( 0.219 10.183 0.320) 10.190 7.701 ( -0.001 -7.989 -0.529) 8.007 7.701 ( -0.001 7.989 -0.529) 8.007 8.168 ( -0.063 -0.861 0.052) 0.865 8.168 ( -0.063 0.861 0.052) 0.865 8.273 ( -0.186 -1.625 -0.250) 1.655 8.273 ( -0.186 1.625 -0.250) 1.655 10.553 ( 0.844 -5.235 -0.480) 5.324 10.553 ( 0.844 5.235 -0.480) 5.324 10.900 ( 0.194 -5.896 -1.544) 6.098 10.900 ( 0.194 5.896 -1.544) 6.098 11.681 ( -1.825 -1.669 3.259) 4.090 11.681 ( -1.825 1.669 3.259) 4.090 12.031 ( 1.638 -4.009 -1.261) 4.511 12.031 ( 1.638 4.009 -1.261) 4.511 12.879 ( -0.398 -0.156 0.479) 0.642 12.879 ( -0.398 0.156 0.479) 0.642 12.937 ( -0.072 -0.514 0.132) 0.536 12.937 ( -0.072 0.514 0.132) 0.536 13.430 ( -0.585 -0.180 0.518) 0.802 13.430 ( -0.585 0.180 0.518) 0.802 13.524 ( 0.609 -1.725 -0.651) 1.942 13.524 ( 0.609 1.725 -0.651) 1.942 23.993 ( 5.119 -1.414 0.271) 5.318 23.993 ( 5.119 1.414 0.271) 5.318 24.255 ( -6.127 -2.781 0.621) 6.757 24.255 ( -6.127 2.781 0.621) 6.757 25.254 ( 0.803 -0.588 1.310) 1.645 25.254 ( 0.803 0.588 1.310) 1.645 25.977 ( 4.877 -5.953 -3.812) 8.588 25.977 ( 4.877 5.953 -3.812) 8.588 ======================= Grid point 98 (45/88) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -16.949 0.000 20.187) 26.359 0.990 ( 4.733 0.000 21.400) 21.917 1.649 ( 13.374 0.000 -9.073) 16.161 1.667 ( -0.742 0.000 -6.677) 6.718 1.849 ( -4.926 0.000 3.590) 6.095 1.850 ( 6.448 0.000 26.456) 27.231 2.003 ( 3.947 0.000 5.254) 6.571 2.029 ( 5.708 0.000 0.048) 5.708 2.069 ( -1.113 0.000 0.762) 1.349 2.138 ( 5.561 0.000 9.946) 11.396 2.289 ( 3.059 0.000 3.041) 4.313 2.424 ( 0.754 0.000 5.096) 5.151 2.617 ( -0.746 0.000 1.813) 1.960 2.789 ( -3.971 0.000 0.884) 4.068 2.908 ( 0.089 0.000 -3.194) 3.195 2.933 ( 4.581 0.000 -0.926) 4.674 2.980 ( 3.638 0.000 -0.764) 3.717 3.013 ( 0.774 0.000 -4.269) 4.338 3.224 ( 0.126 0.000 -4.029) 4.031 3.299 ( 0.814 0.000 -0.509) 0.960 3.424 ( -2.984 0.000 -6.394) 7.056 3.435 ( -0.710 0.000 -3.061) 3.142 3.624 ( -9.489 0.000 0.210) 9.492 3.638 ( -1.088 0.000 -0.529) 1.210 3.929 ( 0.262 0.000 3.250) 3.261 4.088 ( 1.944 0.000 -3.222) 3.763 4.201 ( -0.799 0.000 -4.764) 4.831 4.289 ( 6.973 0.000 -5.438) 8.842 4.421 ( -1.060 0.000 3.977) 4.116 4.506 ( -1.043 0.000 -4.556) 4.674 4.555 ( -1.325 0.000 -0.028) 1.325 4.613 ( 5.000 0.000 0.115) 5.001 4.731 ( -2.325 0.000 1.677) 2.866 4.847 ( -2.788 0.000 -2.531) 3.765 4.969 ( -5.422 0.000 2.398) 5.929 5.113 ( 1.261 0.000 -3.547) 3.765 5.621 ( -1.814 0.000 3.480) 3.925 5.874 ( 0.739 0.000 -6.974) 7.013 6.535 ( 0.604 0.000 2.003) 2.093 6.625 ( 5.910 0.000 -1.240) 6.038 7.367 ( 1.692 0.000 2.527) 3.041 7.398 ( -0.355 0.000 0.773) 0.851 8.087 ( -1.037 0.000 0.425) 1.120 8.123 ( 0.733 0.000 -0.636) 0.971 8.148 ( 0.331 0.000 -0.450) 0.559 8.187 ( -2.041 0.000 -1.393) 2.471 8.233 ( 1.608 0.000 -0.825) 1.807 8.242 ( 0.285 0.000 -1.981) 2.002 10.348 ( -1.260 0.000 2.739) 3.015 10.488 ( 3.904 0.000 -3.621) 5.325 10.812 ( 0.247 0.000 0.921) 0.953 10.828 ( -0.265 0.000 -0.029) 0.266 11.765 ( -1.525 0.000 2.766) 3.158 11.833 ( -10.604 0.000 1.149) 10.666 11.851 ( 4.495 0.000 -1.398) 4.707 11.952 ( -1.113 0.000 -3.348) 3.528 12.891 ( 0.487 0.000 0.511) 0.706 12.894 ( -0.354 0.000 0.417) 0.547 12.932 ( -0.799 0.000 1.197) 1.439 12.966 ( 0.108 0.000 -0.147) 0.182 13.434 ( 0.548 0.000 0.259) 0.606 13.445 ( -0.190 0.000 -0.289) 0.346 13.493 ( 0.184 0.000 0.907) 0.925 13.523 ( 0.202 0.000 -0.740) 0.767 23.874 ( 3.355 0.000 -0.628) 3.413 23.887 ( -1.146 0.000 -0.422) 1.221 24.612 ( -5.830 0.000 8.480) 10.290 24.954 ( 10.600 0.000 -7.141) 12.781 25.154 ( 2.312 0.000 -0.240) 2.324 25.219 ( -0.373 0.000 -3.315) 3.336 25.632 ( 3.549 0.000 4.701) 5.890 25.721 ( 0.234 0.000 0.658) 0.699 ======================= Grid point 99 (46/88) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -3.197 0.000 15.707) 16.029 1.307 ( 8.314 0.000 16.852) 18.792 1.572 ( 1.175 0.000 -12.469) 12.525 1.801 ( 9.901 0.000 -8.962) 13.355 1.826 ( 0.743 0.000 0.793) 1.086 1.986 ( -5.466 0.000 -3.462) 6.470 2.046 ( 4.114 0.000 -0.454) 4.139 2.112 ( 2.335 0.000 0.097) 2.337 2.204 ( 2.085 0.000 8.569) 8.819 2.288 ( 1.206 0.000 4.585) 4.741 2.409 ( 5.124 0.000 6.535) 8.304 2.452 ( 1.881 0.000 -1.741) 2.563 2.652 ( 0.192 0.000 5.557) 5.560 2.716 ( -4.564 0.000 1.898) 4.943 2.893 ( 1.651 0.000 -4.237) 4.547 2.983 ( 1.048 0.000 -3.587) 3.737 3.008 ( 1.870 0.000 -3.415) 3.894 3.049 ( 4.409 0.000 -0.672) 4.460 3.189 ( 1.748 0.000 -2.282) 2.875 3.294 ( -1.870 0.000 -8.035) 8.250 3.341 ( 0.441 0.000 2.945) 2.978 3.403 ( -0.953 0.000 -1.825) 2.059 3.484 ( -4.302 0.000 3.111) 5.309 3.678 ( 2.849 0.000 4.613) 5.422 3.927 ( -1.913 0.000 -0.417) 1.958 4.079 ( -0.358 0.000 -0.148) 0.387 4.178 ( 1.395 0.000 -1.474) 2.030 4.257 ( -1.987 0.000 -12.549) 12.705 4.423 ( -1.913 0.000 2.874) 3.452 4.475 ( 0.548 0.000 1.389) 1.493 4.515 ( -2.366 0.000 -0.226) 2.377 4.673 ( 2.365 0.000 -3.440) 4.175 4.745 ( 0.258 0.000 4.652) 4.659 4.819 ( 1.747 0.000 -1.227) 2.135 4.912 ( -3.625 0.000 3.985) 5.387 5.098 ( -0.279 0.000 -1.298) 1.327 5.628 ( -1.297 0.000 4.461) 4.646 5.825 ( 0.571 0.000 -5.541) 5.570 6.519 ( -3.665 0.000 0.297) 3.677 6.615 ( -2.554 0.000 -3.839) 4.611 7.386 ( -0.981 0.000 -0.425) 1.069 7.412 ( 0.986 0.000 1.133) 1.502 8.077 ( -0.476 0.000 1.013) 1.120 8.133 ( -1.908 0.000 -1.399) 2.366 8.137 ( 0.978 0.000 -0.421) 1.064 8.155 ( 0.154 0.000 0.972) 0.984 8.235 ( 0.417 0.000 -0.807) 0.908 8.239 ( 0.389 0.000 -1.603) 1.649 10.349 ( -1.048 0.000 2.105) 2.352 10.528 ( 3.994 0.000 -5.012) 6.409 10.828 ( 0.529 0.000 0.741) 0.911 10.830 ( 0.530 0.000 -0.155) 0.552 11.659 ( -6.617 0.000 3.519) 7.495 11.817 ( -0.186 0.000 4.642) 4.645 11.859 ( -1.420 0.000 -2.392) 2.782 11.978 ( 4.891 0.000 0.049) 4.891 12.886 ( -0.743 0.000 0.188) 0.767 12.903 ( 0.331 0.000 0.298) 0.445 12.930 ( -0.428 0.000 0.976) 1.066 12.970 ( 0.270 0.000 0.010) 0.271 13.441 ( 0.066 0.000 -0.378) 0.384 13.444 ( 0.438 0.000 0.005) 0.438 13.499 ( -0.079 0.000 0.463) 0.470 13.519 ( -0.088 0.000 -0.606) 0.612 23.863 ( -0.335 0.000 -1.835) 1.866 23.936 ( 3.616 0.000 -0.642) 3.673 24.534 ( -9.217 0.000 5.650) 10.811 24.901 ( -3.601 0.000 -3.299) 4.883 25.202 ( 1.177 0.000 -1.348) 1.790 25.254 ( 5.423 0.000 -5.809) 7.947 25.696 ( -2.040 0.000 -2.189) 2.993 25.700 ( 0.429 0.000 2.620) 2.655 ======================= Grid point 100 (47/88) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 10.381 0.000 6.706) 12.359 1.513 ( 5.418 0.000 -12.297) 13.437 1.555 ( 2.887 0.000 7.433) 7.974 1.811 ( -4.302 0.000 -2.286) 4.872 1.839 ( 3.329 0.000 -9.862) 10.409 1.894 ( 2.838 0.000 -2.765) 3.962 1.974 ( -10.666 0.000 -6.265) 12.370 2.114 ( -0.541 0.000 -3.592) 3.633 2.226 ( 3.144 0.000 -5.438) 6.281 2.238 ( -4.165 0.000 -5.425) 6.839 2.498 ( 4.570 0.000 -3.617) 5.828 2.501 ( -1.032 0.000 0.383) 1.101 2.671 ( -2.322 0.000 1.544) 2.789 2.705 ( -0.596 0.000 4.997) 5.033 2.899 ( -4.023 0.000 -6.151) 7.350 2.901 ( 3.487 0.000 -3.432) 4.892 2.986 ( -1.691 0.000 -3.082) 3.515 3.085 ( -3.369 0.000 -0.173) 3.373 3.197 ( 1.871 0.000 -1.028) 2.135 3.280 ( 5.429 0.000 1.583) 5.655 3.395 ( 1.857 0.000 3.390) 3.865 3.445 ( 6.705 0.000 2.981) 7.338 3.526 ( 1.630 0.000 6.733) 6.928 3.800 ( 3.362 0.000 6.686) 7.483 3.871 ( -1.515 0.000 -3.247) 3.584 4.048 ( -2.624 0.000 -4.393) 5.117 4.140 ( 0.954 0.000 -1.586) 1.851 4.191 ( -0.181 0.000 0.159) 0.240 4.434 ( 0.939 0.000 3.596) 3.717 4.493 ( 0.307 0.000 0.680) 0.746 4.510 ( 1.107 0.000 2.240) 2.498 4.646 ( -1.863 0.000 -3.133) 3.645 4.778 ( -1.657 0.000 3.421) 3.801 4.819 ( -0.369 0.000 -2.180) 2.211 4.930 ( 1.319 0.000 2.866) 3.155 5.083 ( -1.843 0.000 1.871) 2.626 5.650 ( -1.154 0.000 4.745) 4.883 5.801 ( 1.510 0.000 -3.729) 4.023 6.413 ( -5.199 0.000 -2.866) 5.936 6.508 ( -3.974 0.000 -4.140) 5.739 7.359 ( -0.736 0.000 -1.326) 1.516 7.418 ( -0.487 0.000 -0.922) 1.043 8.083 ( -0.961 0.000 1.046) 1.421 8.108 ( 0.843 0.000 0.706) 1.099 8.145 ( 0.437 0.000 -1.132) 1.213 8.164 ( -0.706 0.000 1.590) 1.739 8.233 ( 0.219 0.000 -0.047) 0.224 8.243 ( 0.729 0.000 0.001) 0.729 10.349 ( -0.936 0.000 1.959) 2.171 10.545 ( 3.050 0.000 -5.443) 6.239 10.844 ( 0.991 0.000 -0.179) 1.007 10.845 ( 0.286 0.000 0.997) 1.037 11.607 ( -2.367 0.000 3.020) 3.837 11.808 ( -1.276 0.000 -2.490) 2.798 11.863 ( -0.307 0.000 6.214) 6.222 12.070 ( 3.091 0.000 2.005) 3.684 12.875 ( -0.470 0.000 0.218) 0.518 12.908 ( 0.057 0.000 -0.078) 0.097 12.931 ( -0.337 0.000 0.633) 0.717 12.972 ( 0.006 0.000 -0.244) 0.244 13.437 ( -0.030 0.000 -0.779) 0.780 13.456 ( 0.724 0.000 0.258) 0.769 13.504 ( 0.081 0.000 0.587) 0.592 13.505 ( -0.747 0.000 -0.906) 1.174 23.838 ( 0.078 0.000 -3.030) 3.031 23.986 ( 1.947 0.000 -1.631) 2.540 24.393 ( -7.597 0.000 1.863) 7.822 24.819 ( -2.572 0.000 -1.612) 3.036 25.241 ( 2.604 0.000 1.810) 3.172 25.244 ( -0.507 0.000 -4.622) 4.650 25.613 ( -2.734 0.000 -5.030) 5.725 25.707 ( -0.662 0.000 -0.395) 0.771 ======================= Grid point 101 (48/88) ======================= q-point: (-0.57 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 9.003 0.000 -4.922) 10.261 1.476 ( -11.006 0.000 0.018) 11.006 1.552 ( 6.480 0.000 -9.814) 11.760 1.622 ( -11.567 0.000 -5.688) 12.889 1.661 ( -1.797 0.000 -18.420) 18.508 1.848 ( 1.370 0.000 -2.165) 2.562 1.916 ( -0.217 0.000 -2.917) 2.925 2.025 ( -2.611 0.000 -7.177) 7.637 2.127 ( -0.535 0.000 -2.430) 2.488 2.233 ( -0.641 0.000 -1.340) 1.485 2.376 ( -8.713 0.000 -2.940) 9.195 2.508 ( -1.535 0.000 -4.888) 5.123 2.665 ( 0.747 0.000 0.228) 0.781 2.666 ( -2.878 0.000 -1.518) 3.253 2.824 ( -1.286 0.000 0.911) 1.576 2.901 ( -3.944 0.000 0.105) 3.945 2.960 ( 5.333 0.000 -3.730) 6.508 2.989 ( -2.922 0.000 -1.992) 3.537 3.297 ( 3.530 0.000 5.549) 6.577 3.355 ( 4.850 0.000 -3.163) 5.790 3.544 ( 4.782 0.000 7.318) 8.742 3.575 ( -0.554 0.000 2.912) 2.964 3.644 ( 6.169 0.000 6.495) 8.958 3.846 ( 2.294 0.000 -0.949) 2.482 3.884 ( -0.564 0.000 3.119) 3.169 3.970 ( 0.847 0.000 -4.470) 4.549 4.178 ( -1.297 0.000 0.920) 1.590 4.235 ( 4.659 0.000 7.130) 8.518 4.497 ( 2.035 0.000 2.059) 2.895 4.543 ( -3.323 0.000 -1.103) 3.501 4.561 ( 4.586 0.000 2.802) 5.374 4.572 ( 0.437 0.000 1.426) 1.492 4.736 ( -4.300 0.000 -0.082) 4.301 4.781 ( 0.057 0.000 -4.927) 4.928 4.970 ( 0.509 0.000 0.939) 1.068 5.047 ( -3.407 0.000 1.822) 3.864 5.664 ( -1.413 0.000 3.406) 3.688 5.807 ( 2.230 0.000 -3.535) 4.180 6.320 ( -1.017 0.000 -2.330) 2.543 6.399 ( -3.524 0.000 -3.809) 5.189 7.341 ( 0.163 0.000 -1.324) 1.334 7.382 ( -1.557 0.000 -2.062) 2.584 8.075 ( -0.579 0.000 1.262) 1.389 8.134 ( -0.045 0.000 -1.463) 1.464 8.153 ( 1.861 0.000 1.582) 2.442 8.160 ( -1.119 0.000 1.649) 1.992 8.246 ( 0.250 0.000 1.076) 1.104 8.262 ( 0.991 0.000 0.404) 1.070 10.350 ( -1.129 0.000 2.445) 2.693 10.548 ( 2.609 0.000 -5.449) 6.042 10.856 ( -0.217 0.000 1.096) 1.117 10.861 ( 0.761 0.000 -0.003) 0.761 11.614 ( 0.253 0.000 2.478) 2.491 11.767 ( -0.522 0.000 -2.643) 2.694 11.923 ( 0.014 0.000 7.669) 7.669 12.119 ( 0.275 0.000 1.465) 1.491 12.875 ( 0.068 0.000 0.479) 0.484 12.905 ( -0.150 0.000 -0.301) 0.336 12.929 ( -0.414 0.000 0.469) 0.626 12.965 ( -0.256 0.000 -0.526) 0.585 13.428 ( 0.034 0.000 -0.779) 0.780 13.468 ( -0.475 0.000 -0.846) 0.970 13.486 ( 0.494 0.000 0.181) 0.526 13.510 ( -0.116 0.000 0.505) 0.518 23.813 ( 0.496 0.000 -3.173) 3.212 23.946 ( -2.648 0.000 -4.769) 5.455 24.350 ( 0.667 0.000 3.920) 3.976 24.754 ( -2.458 0.000 -4.194) 4.861 25.183 ( -2.367 0.000 -0.487) 2.416 25.327 ( 2.981 0.000 4.400) 5.315 25.514 ( -1.495 0.000 -6.870) 7.031 25.668 ( -1.606 0.000 -3.398) 3.758 ======================= Grid point 102 (49/88) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -17.378 0.000 -7.510) 18.932 1.225 ( -15.811 0.000 1.834) 15.917 1.462 ( -0.539 0.000 -15.373) 15.382 1.655 ( 11.097 0.000 -5.633) 12.445 1.678 ( 3.441 0.000 3.870) 5.178 1.800 ( -0.831 0.000 -4.424) 4.501 1.861 ( -0.401 0.000 -4.502) 4.520 1.911 ( -1.743 0.000 -6.869) 7.087 2.093 ( -16.469 0.000 7.866) 18.251 2.153 ( 1.243 0.000 0.522) 1.348 2.235 ( -2.591 0.000 -3.662) 4.485 2.369 ( -7.293 0.000 -0.668) 7.324 2.664 ( 2.486 0.000 0.098) 2.488 2.712 ( 5.480 0.000 -1.554) 5.696 2.781 ( -3.907 0.000 0.769) 3.982 2.876 ( 0.260 0.000 2.036) 2.053 2.963 ( 0.757 0.000 -1.197) 1.416 3.027 ( 5.678 0.000 -4.801) 7.436 3.376 ( 1.100 0.000 -0.748) 1.330 3.424 ( 4.589 0.000 -1.747) 4.910 3.559 ( -2.201 0.000 4.393) 4.913 3.643 ( 1.068 0.000 2.561) 2.775 3.770 ( 2.563 0.000 2.247) 3.408 3.844 ( -2.420 0.000 -2.611) 3.560 3.927 ( 1.092 0.000 4.381) 4.515 4.003 ( 2.936 0.000 -1.099) 3.135 4.187 ( 1.015 0.000 4.199) 4.320 4.310 ( -5.943 0.000 0.604) 5.973 4.499 ( 2.499 0.000 2.188) 3.321 4.530 ( -1.566 0.000 -2.177) 2.681 4.610 ( -1.936 0.000 0.895) 2.133 4.637 ( 4.235 0.000 2.080) 4.718 4.694 ( 2.881 0.000 1.031) 3.061 4.736 ( 1.127 0.000 -7.314) 7.400 4.965 ( -1.297 0.000 1.238) 1.793 5.026 ( 0.714 0.000 0.506) 0.875 5.662 ( -1.645 0.000 2.546) 3.032 5.808 ( 1.772 0.000 -4.622) 4.950 6.306 ( -3.289 0.000 -1.923) 3.810 6.330 ( 2.671 0.000 -0.204) 2.679 7.332 ( -1.690 0.000 -1.535) 2.283 7.342 ( 0.806 0.000 -0.585) 0.995 8.084 ( 0.126 0.000 1.353) 1.358 8.124 ( 0.189 0.000 -0.815) 0.837 8.156 ( -0.733 0.000 1.309) 1.500 8.195 ( 1.391 0.000 0.626) 1.525 8.253 ( -0.566 0.000 0.705) 0.904 8.283 ( 0.776 0.000 0.032) 0.777 10.350 ( -1.490 0.000 2.962) 3.316 10.542 ( 2.141 0.000 -5.724) 6.111 10.852 ( -1.097 0.000 0.631) 1.265 10.868 ( -0.139 0.000 0.156) 0.209 11.656 ( 1.558 0.000 2.219) 2.711 11.742 ( 0.789 0.000 -3.084) 3.183 12.012 ( 1.747 0.000 8.251) 8.434 12.113 ( -1.178 0.000 -0.396) 1.242 12.883 ( 0.176 0.000 0.655) 0.678 12.896 ( -0.424 0.000 -0.425) 0.600 12.927 ( -0.295 0.000 0.705) 0.764 12.959 ( 0.219 0.000 -0.428) 0.480 13.428 ( 0.421 0.000 -0.033) 0.423 13.439 ( -0.845 0.000 -1.230) 1.492 13.504 ( -0.737 0.000 -0.062) 0.740 13.511 ( 1.082 0.000 0.570) 1.223 23.807 ( 1.336 0.000 -1.231) 1.817 23.851 ( -1.602 0.000 -4.749) 5.012 24.444 ( 2.494 0.000 7.034) 7.463 24.608 ( -6.657 0.000 -9.032) 11.220 25.183 ( 0.380 0.000 5.416) 5.430 25.386 ( -0.827 0.000 -1.576) 1.780 25.479 ( 3.787 0.000 -0.304) 3.799 25.583 ( -2.800 0.000 -5.701) 6.351 ======================= Grid point 103 (50/88) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -7.083 0.000 21.004) 22.166 0.938 ( -17.291 0.000 7.942) 19.027 1.406 ( 4.665 0.000 -5.547) 7.248 1.687 ( -11.159 0.000 11.353) 15.919 1.771 ( 0.223 0.000 -1.574) 1.590 1.775 ( 3.226 0.000 -4.054) 5.181 1.860 ( -4.380 0.000 1.720) 4.705 1.880 ( 3.077 0.000 4.121) 5.143 1.890 ( 0.755 0.000 1.525) 1.702 2.113 ( -5.480 0.000 -0.769) 5.534 2.185 ( 0.282 0.000 -1.717) 1.740 2.297 ( -2.111 0.000 5.380) 5.780 2.710 ( -3.818 0.000 0.328) 3.832 2.743 ( 5.193 0.000 0.269) 5.200 2.816 ( 5.551 0.000 -1.345) 5.711 2.921 ( 2.450 0.000 -0.351) 2.475 2.959 ( -0.437 0.000 -0.908) 1.008 3.089 ( 5.936 0.000 -5.994) 8.436 3.339 ( -0.938 0.000 -4.102) 4.208 3.449 ( -0.950 0.000 -5.520) 5.601 3.579 ( -1.272 0.000 3.517) 3.740 3.711 ( 0.894 0.000 1.588) 1.823 3.734 ( -1.763 0.000 -6.073) 6.323 3.807 ( -0.025 0.000 1.294) 1.295 3.913 ( -7.829 0.000 -8.284) 11.398 3.916 ( -2.378 0.000 -0.709) 2.482 4.222 ( 0.596 0.000 0.431) 0.735 4.274 ( -0.901 0.000 9.439) 9.482 4.420 ( -2.735 0.000 -4.776) 5.504 4.507 ( -1.884 0.000 -0.104) 1.887 4.615 ( 0.052 0.000 -0.801) 0.803 4.651 ( -1.365 0.000 -8.608) 8.716 4.751 ( 0.933 0.000 2.201) 2.391 4.806 ( 6.715 0.000 2.441) 7.145 5.008 ( 2.195 0.000 7.354) 7.674 5.069 ( 3.651 0.000 -1.941) 4.135 5.649 ( -2.140 0.000 2.494) 3.286 5.814 ( 3.721 0.000 -2.286) 4.367 6.255 ( -1.149 0.000 2.179) 2.463 6.397 ( 3.813 0.000 0.662) 3.870 7.301 ( -0.668 0.000 0.323) 0.742 7.359 ( 0.966 0.000 0.555) 1.114 8.098 ( 0.141 0.000 0.768) 0.780 8.127 ( 0.606 0.000 -0.463) 0.762 8.155 ( -0.298 0.000 0.325) 0.441 8.218 ( 0.757 0.000 -0.074) 0.760 8.233 ( -1.750 0.000 0.033) 1.750 8.286 ( 0.085 0.000 -1.292) 1.295 10.348 ( -1.655 0.000 3.198) 3.601 10.517 ( 0.855 0.000 -6.059) 6.119 10.828 ( -1.695 0.000 0.458) 1.755 10.859 ( -0.939 0.000 0.136) 0.949 11.704 ( 1.322 0.000 1.931) 2.340 11.744 ( 2.618 0.000 -3.298) 4.211 12.074 ( -1.646 0.000 -2.011) 2.599 12.122 ( 2.317 0.000 3.396) 4.111 12.883 ( -0.386 0.000 -0.306) 0.493 12.890 ( -0.053 0.000 0.593) 0.595 12.931 ( -0.239 0.000 1.168) 1.192 12.967 ( 0.943 0.000 -0.611) 1.124 13.420 ( -0.286 0.000 -0.481) 0.560 13.444 ( 0.790 0.000 0.939) 1.227 13.483 ( -1.081 0.000 -0.475) 1.181 13.529 ( 0.556 0.000 -0.183) 0.586 23.810 ( 0.864 0.000 -2.806) 2.936 23.859 ( 3.308 0.000 3.418) 4.757 24.390 ( -6.233 0.000 -3.245) 7.027 24.546 ( 0.379 0.000 8.431) 8.440 25.282 ( 2.417 0.000 7.504) 7.884 25.328 ( -0.891 0.000 -4.931) 5.011 25.463 ( -3.197 0.000 -6.340) 7.100 25.582 ( 4.044 0.000 3.457) 5.320 ======================= Grid point 104 (51/88) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -7.436 0.000 18.946) 20.353 1.059 ( -6.111 0.000 24.891) 25.630 1.495 ( 9.788 0.000 -6.465) 11.730 1.549 ( -14.171 0.000 32.887) 35.810 1.733 ( -0.192 0.000 -3.435) 3.440 1.872 ( 2.354 0.000 7.401) 7.766 1.901 ( 4.385 0.000 0.799) 4.457 1.951 ( 3.388 0.000 -1.377) 3.657 1.996 ( -0.607 0.000 3.023) 3.084 2.013 ( 1.500 0.000 3.587) 3.888 2.217 ( 2.964 0.000 0.706) 3.047 2.346 ( 0.108 0.000 7.844) 7.844 2.647 ( -2.573 0.000 -0.457) 2.613 2.849 ( 5.457 0.000 -0.438) 5.475 2.860 ( -0.371 0.000 -2.544) 2.571 2.936 ( 1.042 0.000 -3.587) 3.735 2.943 ( 0.456 0.000 -0.994) 1.094 3.090 ( -3.996 0.000 -3.916) 5.595 3.259 ( -3.475 0.000 -7.258) 8.047 3.300 ( -0.214 0.000 -1.460) 1.476 3.512 ( -4.071 0.000 -4.837) 6.322 3.535 ( -3.032 0.000 -3.725) 4.803 3.718 ( -4.866 0.000 -2.467) 5.456 3.776 ( -5.540 0.000 0.483) 5.561 3.888 ( 0.266 0.000 1.889) 1.908 3.972 ( 12.860 0.000 -1.762) 12.980 4.240 ( 0.590 0.000 -1.163) 1.304 4.268 ( -2.939 0.000 -0.538) 2.988 4.396 ( -0.155 0.000 3.096) 3.099 4.508 ( 2.457 0.000 0.921) 2.624 4.568 ( -0.179 0.000 -4.619) 4.622 4.586 ( -1.176 0.000 -1.838) 2.181 4.764 ( -1.670 0.000 1.702) 2.384 4.884 ( 1.397 0.000 -0.914) 1.669 5.062 ( -3.783 0.000 2.072) 4.313 5.108 ( 3.032 0.000 -3.858) 4.907 5.631 ( -2.205 0.000 2.849) 3.602 5.893 ( 4.609 0.000 -5.067) 6.849 6.392 ( 11.399 0.000 7.650) 13.728 6.477 ( 3.256 0.000 1.490) 3.581 7.316 ( 0.928 0.000 2.173) 2.363 7.385 ( 0.658 0.000 1.266) 1.427 8.100 ( -0.506 0.000 0.328) 0.603 8.128 ( -0.171 0.000 -0.824) 0.842 8.149 ( 0.519 0.000 -1.528) 1.614 8.210 ( -0.375 0.000 1.195) 1.252 8.220 ( -0.485 0.000 -0.308) 0.574 8.264 ( -0.228 0.000 -2.662) 2.671 10.347 ( -1.514 0.000 3.154) 3.498 10.476 ( 0.747 0.000 -4.255) 4.320 10.808 ( -0.873 0.000 0.951) 1.291 10.840 ( -0.932 0.000 0.061) 0.934 11.741 ( 0.586 0.000 2.138) 2.217 11.782 ( 4.305 0.000 -2.801) 5.136 12.016 ( -1.937 0.000 -3.032) 3.598 12.071 ( -8.120 0.000 -4.374) 9.223 12.880 ( 0.142 0.000 0.185) 0.233 12.894 ( -0.144 0.000 0.576) 0.594 12.935 ( -0.618 0.000 1.282) 1.424 12.970 ( 0.141 0.000 -1.010) 1.020 13.421 ( 0.398 0.000 0.342) 0.524 13.456 ( -0.641 0.000 -0.365) 0.738 13.474 ( 0.577 0.000 1.241) 1.369 13.529 ( 0.032 0.000 -0.795) 0.796 23.825 ( 2.498 0.000 -1.278) 2.806 23.914 ( -1.229 0.000 0.760) 1.445 24.547 ( 20.369 0.000 8.949) 22.248 24.608 ( -2.417 0.000 8.847) 9.171 25.258 ( -6.196 0.000 -3.247) 6.995 25.268 ( -0.878 0.000 -4.287) 4.376 25.488 ( 5.362 0.000 5.450) 7.646 25.677 ( 2.612 0.000 2.670) 3.735 ======================= Grid point 105 (52/88) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -13.178 7.025 18.419) 23.712 1.131 ( 1.261 11.754 17.182) 20.856 1.654 ( 11.064 1.486 -6.962) 13.156 1.710 ( 1.229 3.216 -6.949) 7.755 1.762 ( -3.327 -5.500 7.844) 10.142 1.904 ( 5.334 0.400 8.329) 9.899 1.975 ( 2.940 -2.217 8.716) 9.462 1.993 ( 3.813 -2.637 4.738) 6.629 2.050 ( 0.064 -2.227 0.241) 2.241 2.111 ( 4.480 -0.435 6.708) 8.078 2.317 ( 1.184 0.113 3.036) 3.261 2.419 ( 2.561 -0.256 6.803) 7.273 2.669 ( -0.827 6.305 3.057) 7.056 2.855 ( -2.815 5.108 0.417) 5.847 2.916 ( 0.351 1.476 -2.821) 3.203 2.983 ( 3.014 4.536 -2.148) 5.854 2.999 ( 3.124 2.069 -0.096) 3.748 3.029 ( 1.369 2.047 -3.952) 4.656 3.205 ( -0.592 -1.158 -2.520) 2.836 3.344 ( 1.534 3.719 -1.234) 4.208 3.395 ( -1.026 -0.703 -4.135) 4.318 3.501 ( -2.826 3.014 -3.692) 5.541 3.643 ( -6.718 2.388 -1.075) 7.210 3.646 ( -2.905 0.674 0.288) 2.996 3.901 ( 1.001 -2.100 1.473) 2.753 4.053 ( 2.587 -3.919 -2.584) 5.360 4.176 ( -1.874 -1.490 -2.952) 3.801 4.242 ( 3.248 -4.434 -4.373) 7.024 4.384 ( -0.084 -4.634 1.970) 5.036 4.453 ( -3.066 -3.096 -0.153) 4.360 4.545 ( 0.327 0.660 -1.280) 1.477 4.641 ( 0.350 -0.775 -3.686) 3.783 4.747 ( 3.641 2.765 4.807) 6.634 4.873 ( -0.797 1.632 -1.088) 2.117 4.952 ( -4.319 -0.921 2.259) 4.961 5.116 ( -0.335 -0.208 -3.586) 3.608 5.690 ( -1.321 5.977 1.895) 6.408 5.894 ( 1.697 1.849 -5.832) 6.349 6.468 ( 1.623 -6.919 2.584) 7.562 6.544 ( 3.917 -6.648 0.460) 7.730 7.392 ( 1.114 2.981 2.292) 3.921 7.444 ( -0.049 4.190 -0.021) 4.191 8.024 ( -1.123 -6.385 0.397) 6.496 8.052 ( 0.332 -7.422 -0.856) 7.478 8.109 ( 0.922 -2.410 0.395) 2.611 8.175 ( -1.507 -1.121 -1.912) 2.680 8.210 ( 0.184 -1.520 -0.152) 1.539 8.243 ( -0.463 -0.396 -2.349) 2.427 10.389 ( -1.024 3.842 2.532) 4.714 10.521 ( 3.143 3.131 -3.534) 5.671 10.799 ( -0.429 -0.763 1.422) 1.670 10.863 ( 0.516 1.993 -2.284) 3.075 11.748 ( -1.815 -1.211 2.859) 3.596 11.805 ( -6.068 -1.827 2.543) 6.829 11.877 ( 2.639 2.064 -1.632) 3.727 11.980 ( -1.765 1.679 -4.335) 4.973 12.890 ( 0.234 -0.014 0.582) 0.628 12.896 ( -0.321 0.062 0.440) 0.549 12.934 ( -0.566 0.215 0.992) 1.163 12.962 ( 0.201 -0.337 -0.029) 0.393 13.439 ( -0.078 0.047 0.307) 0.320 13.450 ( 0.374 1.027 -0.159) 1.105 13.489 ( 0.123 -0.368 0.990) 1.064 13.529 ( 0.360 0.397 -0.957) 1.097 23.911 ( 3.804 3.767 -0.523) 5.379 23.917 ( -1.990 3.303 -0.148) 3.859 24.539 ( -5.604 -6.952 6.412) 10.993 24.683 ( 9.493 -17.598 1.695) 20.067 25.180 ( -3.118 3.471 1.255) 4.831 25.349 ( 3.119 4.157 -4.880) 7.129 25.681 ( 2.824 4.472 1.719) 5.561 25.814 ( 1.379 7.239 -3.911) 8.343 ======================= Grid point 106 (53/88) ======================= q-point: ( 0.14 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -3.235 7.022 13.903) 15.909 1.378 ( 6.440 6.599 14.501) 17.184 1.623 ( 1.086 4.590 -10.417) 11.435 1.764 ( -0.367 -5.634 3.090) 6.436 1.818 ( 10.617 1.392 -8.861) 13.898 1.948 ( -3.389 -2.911 -3.566) 5.716 2.039 ( 2.836 -2.195 -0.089) 3.587 2.054 ( 3.231 -4.791 -1.384) 5.942 2.188 ( 2.649 -2.462 5.554) 6.627 2.228 ( 1.140 -3.368 2.113) 4.136 2.406 ( 2.853 0.849 6.680) 7.313 2.503 ( 2.534 0.656 1.573) 3.054 2.697 ( -0.868 6.606 4.774) 8.197 2.807 ( -3.055 6.924 0.567) 7.589 2.892 ( 0.725 0.507 -3.997) 4.093 2.989 ( -0.809 1.298 -3.082) 3.440 3.047 ( 2.280 3.196 -2.528) 4.670 3.065 ( 4.036 1.493 -1.222) 4.474 3.182 ( 0.575 0.896 -0.044) 1.066 3.309 ( 1.951 0.676 -5.909) 6.259 3.376 ( -3.973 1.943 -2.504) 5.082 3.430 ( 0.501 3.644 2.646) 4.531 3.563 ( -0.884 6.882 1.969) 7.213 3.666 ( 1.966 -1.112 4.386) 4.934 3.898 ( -1.632 -2.275 -1.395) 3.128 4.053 ( -0.133 -4.406 -2.466) 5.051 4.139 ( -0.150 -2.731 -0.762) 2.839 4.192 ( -1.505 -3.106 -4.939) 6.025 4.394 ( -0.990 -3.162 2.122) 3.934 4.454 ( 2.093 -4.173 1.368) 4.864 4.547 ( -0.160 0.769 0.811) 1.129 4.613 ( 0.501 0.146 -3.953) 3.988 4.801 ( -2.067 2.968 -0.522) 3.654 4.844 ( 0.088 1.963 0.044) 1.966 4.922 ( -1.745 0.776 4.360) 4.759 5.078 ( -0.769 -1.842 -1.302) 2.383 5.690 ( -1.120 5.635 2.898) 6.435 5.865 ( 1.029 3.711 -5.108) 6.397 6.462 ( -3.199 -5.638 0.351) 6.492 6.549 ( -1.845 -6.427 -2.804) 7.251 7.417 ( -0.470 3.126 0.461) 3.195 7.444 ( 0.444 3.325 0.031) 3.354 8.008 ( -0.983 -6.906 0.755) 7.016 8.063 ( 1.273 -6.531 -0.133) 6.656 8.119 ( -1.185 -1.301 -1.651) 2.413 8.146 ( 0.811 -1.650 1.191) 2.191 8.206 ( -0.294 -2.327 -0.470) 2.392 8.226 ( 0.212 -1.087 -0.797) 1.364 10.390 ( -1.051 3.918 1.928) 4.491 10.550 ( 3.358 2.088 -4.432) 5.939 10.810 ( 0.148 -0.767 1.483) 1.676 10.856 ( 0.733 1.054 -1.630) 2.075 11.671 ( -5.554 1.228 3.497) 6.677 11.807 ( -0.133 -0.955 4.257) 4.364 11.874 ( -1.429 1.389 -2.175) 2.950 11.980 ( 3.762 0.010 -0.699) 3.826 12.886 ( -0.707 0.047 0.230) 0.745 12.900 ( 0.045 -0.259 0.472) 0.540 12.935 ( -0.154 0.438 0.682) 0.825 12.968 ( 0.317 -0.197 0.022) 0.374 13.440 ( 0.005 0.104 0.103) 0.147 13.455 ( 0.369 0.977 -0.292) 1.085 13.496 ( -0.052 -0.308 0.561) 0.642 13.525 ( 0.006 0.374 -0.904) 0.978 23.879 ( -1.238 2.095 -1.286) 2.752 23.985 ( 4.147 4.718 -0.632) 6.314 24.454 ( -8.078 -7.414 3.735) 11.584 24.784 ( 2.250 -12.362 -1.847) 12.700 25.132 ( -2.921 2.144 1.847) 4.067 25.375 ( 3.763 3.855 -4.483) 7.009 25.709 ( -2.584 2.445 0.044) 3.557 25.777 ( 0.239 5.264 -2.994) 6.060 ======================= Grid point 107 (54/88) ======================= q-point: ( 0.29 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 8.941 4.398 6.112) 11.689 1.560 ( 4.067 4.237 -3.691) 6.936 1.585 ( 1.424 2.560 -0.879) 3.058 1.791 ( -0.905 -1.802 2.278) 3.042 1.859 ( 2.217 1.693 -9.687) 10.081 1.872 ( 1.754 -1.782 -5.263) 5.827 1.962 ( -7.002 -1.914 -6.646) 9.841 2.084 ( 0.208 -1.521 -2.150) 2.642 2.194 ( 0.036 -1.490 -4.526) 4.765 2.251 ( 0.266 -2.844 -1.018) 3.032 2.446 ( 1.404 -0.163 -2.912) 3.237 2.546 ( 0.160 -0.670 -2.782) 2.866 2.703 ( -2.030 3.692 2.959) 5.148 2.761 ( -2.138 6.356 0.378) 6.717 2.873 ( -1.774 -1.196 -2.029) 2.949 2.913 ( -0.212 0.940 -4.023) 4.136 3.025 ( -1.659 3.828 -3.689) 5.569 3.116 ( 0.990 1.824 -1.044) 2.323 3.204 ( 0.135 1.566 1.961) 2.514 3.288 ( 1.834 1.189 -1.913) 2.904 3.411 ( 6.805 1.190 3.188) 7.609 3.497 ( 3.158 4.869 3.186) 6.621 3.617 ( 1.731 8.046 5.541) 9.921 3.776 ( 3.004 -2.608 6.740) 7.826 3.836 ( -0.780 -3.557 -4.143) 5.516 3.999 ( -1.596 -3.387 -3.531) 5.147 4.138 ( 0.649 -0.704 0.150) 0.969 4.173 ( 0.638 -0.923 0.885) 1.430 4.427 ( 2.106 -1.917 3.248) 4.320 4.508 ( 2.274 -2.193 1.487) 3.491 4.538 ( -1.521 3.533 0.974) 3.967 4.592 ( -0.976 -3.751 -0.574) 3.918 4.756 ( -2.971 0.677 0.558) 3.098 4.820 ( -0.307 0.012 -2.216) 2.238 4.915 ( -2.452 -1.961 1.249) 3.379 5.074 ( -0.713 -1.560 1.763) 2.460 5.699 ( -0.836 4.812 2.965) 5.713 5.848 ( 1.566 4.206 -3.631) 5.773 6.372 ( -4.342 -3.926 -2.198) 6.253 6.461 ( -3.467 -4.742 -3.550) 6.863 7.399 ( -0.616 3.948 -1.032) 4.127 7.444 ( -0.371 2.764 -0.899) 2.930 7.997 ( -1.038 -7.610 0.835) 7.725 8.078 ( 0.154 -6.160 -1.596) 6.366 8.110 ( 1.738 -0.380 1.220) 2.157 8.172 ( -0.289 -0.003 2.277) 2.295 8.201 ( 0.067 -2.698 0.296) 2.715 8.231 ( 0.595 -1.193 0.238) 1.355 10.386 ( -1.014 3.618 1.692) 4.120 10.562 ( 2.539 1.486 -4.893) 5.709 10.831 ( 0.809 -0.478 1.184) 1.512 10.860 ( 0.580 0.579 -0.497) 0.958 11.628 ( -2.275 2.107 3.065) 4.360 11.825 ( -1.287 1.513 -2.091) 2.884 11.848 ( -0.390 -1.293 5.539) 5.702 12.049 ( 2.586 -2.058 1.268) 3.540 12.876 ( -0.446 0.142 0.247) 0.530 12.902 ( -0.141 -0.460 0.221) 0.529 12.937 ( -0.128 0.541 0.231) 0.602 12.971 ( 0.038 -0.135 -0.260) 0.296 13.438 ( -0.155 0.264 -0.342) 0.459 13.463 ( 0.623 0.625 0.019) 0.883 13.501 ( 0.077 -0.216 0.320) 0.394 13.510 ( -0.536 0.391 -0.900) 1.118 23.845 ( -0.615 1.170 -2.299) 2.652 24.037 ( 1.585 4.741 -2.358) 5.527 24.331 ( -5.617 -5.629 1.754) 8.144 24.772 ( -0.800 -6.595 -2.523) 7.107 25.114 ( -0.903 -1.233 1.942) 2.471 25.402 ( 2.350 4.502 -2.086) 5.490 25.602 ( -5.114 1.495 -3.484) 6.366 25.769 ( 0.174 4.258 -1.962) 4.692 ======================= Grid point 108 (55/88) ======================= q-point: (-0.57 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 6.565 0.619 -3.938) 7.681 1.504 ( -9.067 2.488 -0.415) 9.412 1.607 ( 6.382 5.054 -7.633) 11.160 1.619 ( -10.709 -0.211 -7.585) 13.125 1.705 ( -1.091 4.038 -13.513) 14.145 1.868 ( 0.373 1.361 -4.377) 4.599 1.900 ( 1.340 -0.722 -1.836) 2.385 2.046 ( -2.085 0.964 -5.497) 5.958 2.123 ( -1.635 0.012 1.145) 1.996 2.246 ( 1.107 -1.480 -3.570) 4.020 2.370 ( -6.546 1.501 -2.328) 7.108 2.502 ( -2.558 -0.793 -3.662) 4.537 2.675 ( -1.945 1.954 -0.068) 2.758 2.720 ( 0.008 4.915 -1.867) 5.258 2.816 ( -1.761 -0.046 0.030) 1.762 2.925 ( 1.925 -1.243 -3.567) 4.239 2.952 ( -2.713 4.222 1.150) 5.148 3.059 ( -1.449 4.535 -2.730) 5.488 3.290 ( 2.677 -0.776 4.820) 5.568 3.328 ( 4.594 -1.806 -2.901) 5.726 3.555 ( 1.570 1.045 3.047) 3.584 3.616 ( 4.172 2.854 4.311) 6.643 3.674 ( 1.683 2.312 3.515) 4.531 3.846 ( 4.651 1.207 1.103) 4.930 3.874 ( -0.622 -1.710 4.727) 5.065 3.962 ( 1.391 0.181 -1.991) 2.436 4.153 ( 0.280 -1.841 0.553) 1.943 4.234 ( 3.436 0.041 5.014) 6.079 4.511 ( 0.853 -0.797 2.443) 2.708 4.517 ( -2.842 -0.941 1.798) 3.492 4.543 ( -0.540 -2.967 -1.214) 3.251 4.587 ( 4.878 0.090 1.194) 5.023 4.695 ( -3.838 -0.472 0.350) 3.882 4.787 ( -0.518 -0.332 -5.115) 5.152 4.884 ( -1.267 -5.941 2.171) 6.451 5.046 ( -2.787 -2.150 -0.475) 3.552 5.711 ( -0.403 4.625 2.195) 5.135 5.853 ( 2.094 3.983 -3.639) 5.787 6.300 ( -0.676 -2.062 -1.660) 2.733 6.365 ( -3.231 -3.326 -3.033) 5.541 7.381 ( -0.296 3.932 -0.969) 4.060 7.416 ( -0.819 3.572 -1.983) 4.167 7.988 ( -0.586 -7.608 1.118) 7.712 8.062 ( -0.158 -6.393 -1.505) 6.570 8.167 ( 2.012 0.537 1.317) 2.463 8.175 ( -0.866 0.297 1.744) 1.970 8.217 ( 0.319 -2.136 2.096) 3.010 8.251 ( 0.961 -1.017 0.645) 1.540 10.384 ( -1.035 3.292 2.076) 4.028 10.559 ( 2.017 0.892 -4.919) 5.391 10.858 ( 0.359 0.219 1.130) 1.206 10.867 ( 0.637 0.408 -0.132) 0.768 11.635 ( -0.075 2.037 2.748) 3.422 11.787 ( -0.373 1.965 -2.483) 3.188 11.899 ( -0.452 -2.312 7.092) 7.473 12.089 ( 0.503 -2.955 0.826) 3.109 12.876 ( 0.058 0.170 0.494) 0.526 12.900 ( -0.181 -0.396 0.066) 0.441 12.934 ( -0.328 0.455 0.011) 0.562 12.964 ( -0.267 -0.133 -0.568) 0.641 13.431 ( -0.111 0.349 -0.390) 0.535 13.474 ( -0.093 0.403 -0.541) 0.681 13.488 ( 0.068 0.293 -0.369) 0.476 13.509 ( 0.062 -0.087 0.289) 0.308 23.817 ( 0.109 0.728 -2.376) 2.488 23.970 ( -3.417 1.810 -5.548) 6.763 24.332 ( 1.930 -1.376 4.299) 4.909 24.712 ( -2.387 -4.801 -4.685) 7.120 25.125 ( -0.512 -1.375 3.215) 3.534 25.418 ( 0.044 -0.474 -2.402) 2.448 25.499 ( -1.158 5.706 -1.316) 5.969 25.738 ( -0.475 4.769 -4.027) 6.260 ======================= Grid point 109 (56/88) ======================= q-point: (-0.43 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -14.969 6.268 -6.636) 17.533 1.301 ( -12.656 6.936 3.645) 14.886 1.463 ( 0.342 0.532 -13.258) 13.274 1.693 ( 2.567 1.498 1.860) 3.506 1.706 ( 8.187 3.765 -4.205) 9.944 1.813 ( -0.684 1.133 -3.472) 3.716 1.868 ( -1.423 0.757 -3.332) 3.701 1.919 ( -2.794 0.280 -6.632) 7.202 2.135 ( -5.142 2.769 3.811) 6.973 2.202 ( -5.065 4.049 0.661) 6.518 2.237 ( -3.071 1.454 -1.211) 3.607 2.361 ( -7.675 -0.455 -0.054) 7.688 2.676 ( 2.216 1.540 -0.046) 2.699 2.744 ( 3.009 1.744 -1.921) 3.973 2.786 ( 0.048 2.780 0.592) 2.843 2.915 ( 0.354 1.033 0.644) 1.268 2.953 ( 0.773 1.614 -0.909) 2.007 3.070 ( 4.383 3.114 -3.097) 6.204 3.332 ( 0.572 -3.977 -0.902) 4.118 3.398 ( 3.732 -2.388 -2.512) 5.093 3.572 ( -0.838 0.838 3.907) 4.083 3.653 ( -0.323 0.330 0.937) 1.045 3.786 ( 3.193 1.725 3.381) 4.960 3.842 ( -3.076 -0.362 -1.120) 3.293 3.951 ( 0.979 2.607 3.637) 4.581 3.993 ( 1.173 -0.301 -0.040) 1.211 4.190 ( 1.387 0.294 4.142) 4.378 4.317 ( -4.286 0.378 1.878) 4.694 4.445 ( 1.942 -4.758 0.707) 5.187 4.491 ( -2.274 -3.256 -2.204) 4.542 4.598 ( 2.833 -3.309 2.510) 5.028 4.638 ( -1.080 1.844 -0.480) 2.190 4.687 ( -0.151 -1.050 -1.600) 1.919 4.710 ( 2.597 -1.723 -4.724) 5.660 4.915 ( 0.882 -4.138 3.227) 5.320 4.993 ( -0.307 -3.516 -1.491) 3.831 5.723 ( -0.228 5.104 1.662) 5.373 5.847 ( 1.418 3.499 -5.232) 6.452 6.285 ( -2.890 -2.034 -1.054) 3.688 6.315 ( 2.528 -1.501 -0.158) 2.944 7.359 ( -1.290 3.293 -0.597) 3.587 7.397 ( 0.729 4.979 -1.329) 5.204 7.997 ( 0.193 -7.599 1.395) 7.729 8.048 ( 0.208 -7.078 -1.280) 7.196 8.169 ( -1.000 0.279 1.490) 1.816 8.203 ( 0.443 0.257 0.604) 0.792 8.243 ( 0.203 -0.612 1.373) 1.517 8.276 ( 1.164 -0.566 0.247) 1.318 10.384 ( -1.187 3.248 2.540) 4.290 10.549 ( 1.707 0.566 -4.938) 5.255 10.852 ( -1.383 0.151 0.725) 1.569 10.885 ( 0.935 1.293 -0.406) 1.647 11.668 ( 0.717 1.270 2.421) 2.827 11.769 ( 1.236 2.611 -2.767) 4.000 11.964 ( 0.028 -4.292 7.528) 8.665 12.091 ( 0.066 -2.347 -0.630) 2.430 12.885 ( 0.152 0.139 0.650) 0.682 12.895 ( -0.353 -0.090 -0.154) 0.395 12.929 ( -0.280 0.217 0.398) 0.533 12.956 ( 0.069 -0.299 -0.520) 0.604 13.431 ( 0.225 0.340 0.243) 0.474 13.451 ( -0.589 1.055 -1.271) 1.753 13.495 ( -0.536 -0.721 0.335) 0.959 13.515 ( 0.767 0.159 -0.125) 0.793 23.814 ( 1.388 0.927 -0.483) 1.737 23.867 ( -1.559 1.330 -4.815) 5.233 24.430 ( 2.236 -1.271 6.421) 6.917 24.574 ( -6.236 -3.321 -7.544) 10.336 25.165 ( 0.644 -0.310 5.714) 5.759 25.353 ( -1.170 -3.692 -5.371) 6.622 25.549 ( 3.459 7.889 3.186) 9.184 25.681 ( -0.296 6.716 -6.150) 9.111 ======================= Grid point 110 (57/88) ======================= q-point: (-0.29 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -7.404 8.145 14.756) 18.410 1.105 ( -12.120 13.598 9.704) 20.639 1.422 ( 4.348 1.575 -4.517) 6.464 1.712 ( -5.264 1.928 6.289) 8.426 1.768 ( 1.939 -1.140 -6.246) 6.639 1.796 ( 0.210 0.558 1.773) 1.871 1.860 ( 2.618 -0.472 1.788) 3.206 1.893 ( 0.654 1.832 2.744) 3.364 1.944 ( -11.086 6.795 4.495) 13.758 2.114 ( -6.169 0.406 -1.069) 6.274 2.205 ( 1.046 1.604 -0.790) 2.072 2.296 ( -1.755 0.225 4.146) 4.508 2.713 ( -2.320 0.896 1.367) 2.838 2.764 ( 5.569 2.681 -0.935) 6.251 2.876 ( 6.445 4.931 -1.833) 8.319 2.942 ( 0.759 -0.711 -0.496) 1.152 2.959 ( 1.007 3.335 0.268) 3.494 3.120 ( 4.436 2.261 -5.603) 7.496 3.314 ( 0.399 -2.056 -3.611) 4.174 3.412 ( -0.901 -3.593 -2.873) 4.688 3.598 ( -0.533 1.158 2.164) 2.511 3.667 ( 1.435 -4.428 0.614) 4.695 3.719 ( -6.557 -0.010 -6.491) 9.227 3.849 ( 0.480 3.324 2.741) 4.335 3.921 ( -3.662 1.297 -2.609) 4.680 3.949 ( -4.273 2.925 -4.313) 6.740 4.152 ( -1.755 -4.483 2.338) 5.352 4.335 ( -0.863 3.143 4.871) 5.861 4.385 ( -0.595 -2.337 -2.574) 3.527 4.542 ( 0.121 2.460 1.090) 2.694 4.562 ( -3.236 -6.207 -3.084) 7.649 4.616 ( -0.265 -0.703 -2.210) 2.334 4.707 ( 2.693 -6.275 2.479) 7.264 4.784 ( 4.039 -0.019 0.427) 4.061 4.944 ( 0.929 -4.014 2.453) 4.795 5.055 ( 5.130 -2.846 1.256) 5.999 5.729 ( -0.516 5.886 0.337) 5.918 5.828 ( 2.118 1.660 -3.206) 4.186 6.245 ( -0.980 -0.874 1.898) 2.308 6.379 ( 3.656 -1.922 0.461) 4.156 7.338 ( -0.514 3.774 0.505) 3.842 7.410 ( 1.173 4.899 -0.053) 5.037 8.015 ( 0.410 -7.450 0.972) 7.524 8.049 ( 0.708 -7.805 -0.797) 7.878 8.160 ( -1.083 0.199 0.268) 1.133 8.202 ( -0.671 -0.364 0.299) 0.820 8.243 ( -0.650 0.044 -0.200) 0.681 8.291 ( 0.670 0.277 -1.260) 1.454 10.385 ( -1.312 3.365 2.691) 4.505 10.531 ( 1.118 1.394 -4.816) 5.137 10.825 ( -1.895 -0.095 0.655) 2.007 10.889 ( 0.354 2.251 -1.367) 2.657 11.698 ( 0.645 0.047 1.332) 1.480 11.784 ( 2.511 3.187 -2.025) 4.535 12.001 ( -2.077 -5.998 2.458) 6.807 12.105 ( 1.732 -2.019 -0.456) 2.699 12.884 ( -0.408 0.107 -0.114) 0.437 12.892 ( -0.015 0.145 0.511) 0.531 12.931 ( -0.206 0.049 0.983) 1.006 12.959 ( 0.589 -0.687 -0.449) 1.010 13.432 ( -0.157 1.146 -0.392) 1.222 13.448 ( 0.644 0.348 0.887) 1.150 13.476 ( -1.156 -0.636 -0.312) 1.356 13.528 ( 0.603 -0.158 -0.330) 0.705 23.829 ( 1.138 1.848 -2.707) 3.470 23.878 ( 3.858 1.736 3.728) 5.639 24.373 ( -6.662 -1.518 -3.747) 7.793 24.517 ( -0.109 -2.992 7.417) 7.999 25.242 ( 1.629 -1.519 2.634) 3.450 25.299 ( -0.456 -1.573 -0.752) 1.802 25.620 ( 1.072 8.340 -6.387) 10.559 25.662 ( 4.908 8.989 1.876) 10.412 ======================= Grid point 111 (58/88) ======================= q-point: (-0.14 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -5.234 13.258 15.680) 21.190 1.130 ( -6.418 7.099 21.100) 23.169 1.512 ( 8.194 2.032 -4.501) 9.567 1.642 ( -10.198 7.796 24.618) 27.764 1.750 ( 0.198 0.938 -2.846) 3.004 1.837 ( 0.618 -4.332 1.718) 4.701 1.870 ( 0.099 -0.717 7.406) 7.442 1.913 ( 1.248 -2.191 0.826) 2.653 2.002 ( 3.195 -0.200 3.227) 4.546 2.029 ( 0.090 1.295 0.107) 1.302 2.254 ( 3.157 2.282 1.575) 4.202 2.327 ( 0.092 -1.584 5.864) 6.075 2.679 ( -1.891 3.793 0.934) 4.340 2.865 ( 4.035 3.258 -0.331) 5.197 2.934 ( 1.478 1.018 -1.435) 2.298 2.950 ( 2.455 4.231 -5.421) 7.302 2.973 ( 0.127 3.959 0.752) 4.032 3.097 ( -3.100 0.846 -5.526) 6.392 3.265 ( -4.813 -0.236 -5.395) 7.234 3.306 ( 1.901 1.105 -1.827) 2.859 3.494 ( -4.988 -0.575 -3.947) 6.386 3.576 ( -1.723 2.082 -2.674) 3.802 3.717 ( -2.933 -0.920 -0.408) 3.101 3.788 ( -5.152 1.676 -1.068) 5.522 3.863 ( 1.436 -0.713 -1.706) 2.341 3.974 ( 6.386 -0.468 -0.005) 6.403 4.180 ( 1.392 -4.075 1.609) 4.597 4.266 ( -2.919 -0.354 -3.566) 4.622 4.392 ( -1.452 -1.993 0.716) 2.567 4.500 ( -1.216 -2.700 0.665) 3.035 4.560 ( -0.444 0.804 -0.697) 1.153 4.613 ( 2.334 3.102 0.913) 3.988 4.713 ( -1.833 -5.800 0.046) 6.083 4.855 ( 2.483 -1.121 0.288) 2.739 4.987 ( -0.082 -3.473 1.704) 3.869 5.135 ( 1.923 -0.758 -1.436) 2.517 5.707 ( -1.482 6.021 0.273) 6.207 5.882 ( 4.567 -0.662 -3.295) 5.670 6.327 ( 6.012 -4.743 6.308) 9.921 6.456 ( 3.619 -2.736 1.033) 4.653 7.352 ( 0.736 3.657 1.823) 4.152 7.434 ( 0.899 4.568 0.399) 4.673 8.031 ( 0.053 -6.821 0.929) 6.884 8.052 ( 0.563 -8.442 -1.026) 8.523 8.123 ( -1.685 -0.446 -1.450) 2.268 8.197 ( -0.213 -0.819 0.411) 0.941 8.221 ( -0.983 -0.259 -0.728) 1.250 8.276 ( -0.225 0.438 -2.695) 2.739 10.385 ( -1.238 3.518 2.695) 4.602 10.511 ( 1.359 3.214 -3.790) 5.152 10.802 ( -1.215 -0.463 1.034) 1.661 10.877 ( 0.230 2.591 -2.098) 3.342 11.724 ( 0.848 -0.702 1.410) 1.789 11.819 ( 2.490 2.416 -0.945) 3.596 11.942 ( -4.858 -4.843 -0.491) 6.877 12.079 ( -2.683 -0.668 -4.551) 5.325 12.881 ( 0.064 0.134 0.294) 0.329 12.896 ( -0.148 0.122 0.514) 0.549 12.935 ( -0.485 0.040 1.115) 1.216 12.962 ( 0.166 -0.682 -0.486) 0.854 13.433 ( 0.285 1.146 0.265) 1.210 13.454 ( -0.696 -0.277 -0.241) 0.787 13.472 ( 0.547 -0.099 1.304) 1.418 13.531 ( 0.336 0.113 -0.800) 0.875 23.852 ( 2.921 2.694 -1.124) 4.130 23.953 ( -0.895 3.808 1.128) 4.071 24.406 ( 9.840 -9.852 7.198) 15.675 24.560 ( -2.703 -5.216 7.489) 9.518 25.224 ( -0.894 0.501 -2.804) 2.985 25.337 ( 0.587 1.079 1.929) 2.287 25.614 ( 3.722 8.780 -3.182) 10.053 25.771 ( 4.995 8.646 -0.626) 10.005 ======================= Grid point 112 (59/88) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -10.283 10.378 14.306) 20.447 1.366 ( 0.739 11.667 12.165) 16.871 1.615 ( -4.824 -8.799 7.037) 12.256 1.709 ( 9.814 3.622 -5.448) 11.795 1.774 ( 4.116 -1.398 -1.791) 4.702 1.822 ( 0.786 -2.758 -0.400) 2.895 1.906 ( 4.544 -4.064 -1.170) 6.207 1.977 ( -1.781 -2.833 -2.013) 3.905 2.034 ( 2.265 2.158 7.573) 8.194 2.114 ( 3.164 -0.288 5.122) 6.028 2.308 ( 2.361 0.448 5.337) 5.853 2.397 ( 2.325 -2.120 6.086) 6.851 2.826 ( 0.118 7.449 3.017) 8.038 2.911 ( -1.117 1.074 -2.098) 2.608 2.974 ( 0.290 3.145 0.118) 3.161 3.030 ( 1.912 0.707 -0.427) 2.082 3.105 ( -0.372 7.861 -1.386) 7.991 3.130 ( 1.606 8.107 -1.126) 8.341 3.205 ( 1.260 1.725 -1.520) 2.622 3.374 ( -0.209 -2.127 -1.809) 2.800 3.401 ( 0.236 1.235 -0.179) 1.270 3.516 ( -4.330 -1.314 -1.912) 4.912 3.650 ( -1.987 -0.323 -0.228) 2.025 3.703 ( -2.325 1.830 -2.726) 4.023 3.896 ( 0.883 2.337 -0.776) 2.616 3.968 ( 0.259 -2.889 -2.048) 3.551 4.150 ( -0.619 -3.291 -1.588) 3.707 4.174 ( -1.374 0.107 -2.029) 2.453 4.269 ( -0.117 -6.080 0.127) 6.083 4.362 ( -2.270 -6.618 -2.836) 7.550 4.580 ( 1.240 2.835 0.563) 3.145 4.638 ( 0.991 0.884 0.671) 1.488 4.794 ( 3.508 1.998 3.945) 5.645 4.895 ( 0.481 0.182 0.344) 0.619 4.954 ( -2.652 1.247 1.079) 3.123 5.078 ( -0.967 -3.932 -1.842) 4.448 5.811 ( 0.062 6.061 0.858) 6.121 5.933 ( 3.397 1.543 -3.289) 4.974 6.319 ( 0.961 -6.249 3.023) 7.008 6.408 ( 1.034 -7.205 -0.546) 7.299 7.488 ( 0.511 6.945 1.899) 7.218 7.547 ( 0.326 6.313 -0.782) 6.370 7.859 ( -0.810 -10.105 0.659) 10.159 7.875 ( 0.973 -9.771 -0.283) 9.823 8.084 ( -0.652 0.064 -0.188) 0.681 8.148 ( -1.392 -1.799 -1.673) 2.823 8.188 ( -0.649 -0.465 -1.305) 1.530 8.223 ( -0.976 -1.439 -2.524) 3.065 10.480 ( -0.320 5.116 1.787) 5.428 10.581 ( 1.978 1.926 -2.826) 3.951 10.792 ( -0.572 0.533 1.101) 1.350 10.874 ( 0.314 -1.052 -3.354) 3.529 11.735 ( -2.019 0.081 3.461) 4.007 11.774 ( -2.813 -1.413 2.994) 4.344 11.920 ( 1.290 2.335 -2.106) 3.399 11.991 ( -0.723 -0.591 -4.260) 4.361 12.891 ( -0.046 0.080 0.651) 0.658 12.895 ( -0.384 -0.096 0.565) 0.690 12.940 ( -0.139 0.362 0.616) 0.728 12.955 ( 0.283 -0.392 0.147) 0.506 13.442 ( -0.226 0.439 0.903) 1.029 13.469 ( 0.089 -0.116 1.045) 1.055 13.489 ( 0.450 1.098 -0.397) 1.252 13.531 ( 0.580 -0.265 -1.191) 1.351 24.008 ( 2.299 6.450 0.782) 6.892 24.023 ( -1.036 7.338 -0.192) 7.413 24.367 ( -2.086 -10.699 3.804) 11.546 24.391 ( 4.078 -12.107 2.921) 13.105 25.260 ( -1.851 4.315 2.705) 5.418 25.373 ( 1.249 -0.746 0.203) 1.469 25.781 ( 1.857 5.503 -2.037) 6.155 25.906 ( 1.402 1.421 -6.875) 7.159 ======================= Grid point 113 (60/88) ======================= q-point: ( 0.14 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -3.155 10.780 9.975) 15.022 1.521 ( 3.027 6.712 9.952) 12.380 1.615 ( -0.285 -7.480 4.669) 8.822 1.730 ( 0.657 4.776 -6.137) 7.804 1.831 ( 5.324 -2.954 -1.847) 6.363 1.892 ( -1.308 -3.383 -4.801) 6.017 1.918 ( 5.952 -3.303 -3.133) 7.494 2.015 ( 6.850 -2.328 -2.194) 7.560 2.132 ( 1.135 -1.620 2.844) 3.464 2.181 ( 0.897 -2.333 -0.747) 2.609 2.423 ( 2.028 0.657 5.246) 5.662 2.475 ( 2.095 -2.309 2.536) 4.019 2.843 ( -1.083 5.798 1.325) 6.046 2.889 ( 0.561 1.698 -2.233) 2.861 2.955 ( -1.855 4.451 -0.940) 4.913 3.016 ( -2.598 0.371 -1.375) 2.963 3.119 ( 1.452 5.978 -2.303) 6.568 3.142 ( 1.113 6.545 0.525) 6.660 3.246 ( 1.663 4.805 1.575) 5.323 3.305 ( 1.500 -1.441 -3.709) 4.252 3.399 ( -3.790 0.461 -1.762) 4.205 3.493 ( 3.461 0.811 4.144) 5.460 3.634 ( -0.413 -0.504 1.370) 1.518 3.706 ( 2.941 4.428 0.985) 5.406 3.853 ( -3.416 -1.436 -4.442) 5.785 3.966 ( 1.312 -1.712 0.330) 2.182 4.103 ( -1.465 -1.153 -1.008) 2.119 4.165 ( 0.424 0.138 0.001) 0.446 4.294 ( 1.101 -6.529 2.827) 7.200 4.323 ( 0.850 -7.605 -2.218) 7.967 4.596 ( -0.346 4.708 0.533) 4.751 4.663 ( 1.604 3.240 -1.161) 3.797 4.838 ( -2.458 0.740 -1.740) 3.101 4.874 ( -0.264 0.563 0.299) 0.690 4.925 ( -2.890 -0.259 3.193) 4.315 5.025 ( -2.266 -3.751 -0.706) 4.439 5.819 ( -0.146 7.282 0.675) 7.314 5.944 ( 1.914 3.668 -4.639) 6.216 6.327 ( -2.185 -7.108 1.308) 7.551 6.396 ( -1.254 -8.329 -1.660) 8.585 7.506 ( -0.259 6.143 1.085) 6.243 7.542 ( 0.250 6.725 -1.111) 6.821 7.842 ( -1.213 -9.487 0.360) 9.571 7.897 ( 1.394 -9.819 -0.206) 9.919 8.098 ( 0.479 -1.086 0.940) 1.514 8.109 ( -0.140 -1.125 -0.196) 1.150 8.171 ( -0.616 -1.151 -0.035) 1.306 8.198 ( 0.001 -1.688 -0.893) 1.910 10.483 ( -0.866 5.201 1.218) 5.411 10.589 ( 1.687 1.155 -3.175) 3.777 10.801 ( 0.272 0.146 1.436) 1.469 10.857 ( 0.725 -1.044 -2.206) 2.546 11.704 ( -3.522 2.047 3.507) 5.375 11.782 ( -0.631 -1.612 3.783) 4.160 11.907 ( -0.861 1.871 -2.088) 2.933 11.971 ( 1.781 -0.967 -1.836) 2.734 12.888 ( -0.617 0.097 0.338) 0.710 12.895 ( -0.298 -0.265 0.561) 0.688 12.945 ( 0.178 0.547 0.328) 0.663 12.963 ( 0.381 -0.331 0.056) 0.508 13.448 ( -0.077 0.697 0.756) 1.031 13.475 ( -0.088 0.408 0.254) 0.489 13.492 ( 0.301 0.398 -0.250) 0.558 13.527 ( 0.158 -0.256 -1.316) 1.350 23.955 ( -2.935 5.782 -0.536) 6.506 24.109 ( 4.870 7.965 -0.105) 9.337 24.282 ( -6.302 -9.719 1.346) 11.662 24.522 ( 4.854 -13.274 0.576) 14.146 25.226 ( -3.970 5.964 2.573) 7.613 25.394 ( 1.093 -1.376 -0.550) 1.841 25.774 ( -1.767 3.816 -1.928) 4.626 25.850 ( -0.006 1.646 -4.906) 5.175 ======================= Grid point 114 (61/88) ======================= q-point: ( 0.29 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 5.654 7.390 4.130) 10.180 1.578 ( -1.093 -3.697 0.763) 3.930 1.671 ( 2.606 5.445 -3.040) 6.759 1.776 ( 5.303 1.149 4.229) 6.879 1.810 ( -3.089 -3.076 -2.688) 5.122 1.898 ( 2.064 -2.967 -0.807) 3.703 1.932 ( 1.034 3.642 -11.899) 12.487 2.076 ( -1.023 0.204 -2.458) 2.670 2.130 ( 3.229 -5.313 -4.716) 7.804 2.168 ( -0.700 -3.805 0.163) 3.872 2.456 ( 0.672 0.462 -1.405) 1.625 2.507 ( 0.337 -2.409 -2.088) 3.206 2.809 ( -2.836 5.666 1.072) 6.427 2.866 ( -2.779 1.350 -0.897) 3.217 2.888 ( -3.951 4.205 -1.891) 6.072 2.937 ( -0.515 1.237 -2.837) 3.137 3.133 ( -1.338 7.158 -2.940) 7.854 3.155 ( 3.218 2.870 -1.768) 4.660 3.246 ( -0.581 1.711 1.102) 2.116 3.316 ( -1.275 0.553 -2.996) 3.303 3.444 ( 7.540 2.819 5.957) 10.014 3.587 ( 1.630 3.715 -0.556) 4.095 3.679 ( 3.472 -6.617 5.832) 9.479 3.738 ( -1.774 -4.593 -5.039) 7.045 3.806 ( 3.704 8.831 4.059) 10.401 3.994 ( 0.810 3.258 0.365) 3.377 4.092 ( 0.543 -3.208 1.054) 3.420 4.188 ( 1.178 2.063 1.475) 2.796 4.352 ( 3.190 -5.854 1.066) 6.751 4.355 ( 1.313 -9.892 3.367) 10.531 4.589 ( -0.652 4.284 0.552) 4.368 4.647 ( -2.642 5.313 -0.335) 5.943 4.780 ( -0.886 -0.285 -3.046) 3.185 4.829 ( -3.428 0.427 -1.044) 3.609 4.868 ( -4.464 -1.639 0.914) 4.843 5.002 ( -1.283 -5.682 0.542) 5.850 5.820 ( -0.020 7.169 0.128) 7.170 5.933 ( 1.573 3.713 -4.436) 5.994 6.279 ( -2.697 -4.939 -0.044) 5.628 6.341 ( -2.342 -6.892 -1.837) 7.507 7.499 ( -0.889 6.063 0.100) 6.128 7.536 ( 0.333 6.957 -1.617) 7.150 7.824 ( -1.063 -9.525 0.510) 9.598 7.912 ( 0.690 -10.100 -1.333) 10.211 8.113 ( 1.698 0.500 1.331) 2.214 8.147 ( 0.872 -1.900 2.459) 3.228 8.168 ( -0.351 -0.676 1.409) 1.602 8.201 ( 0.391 -1.782 0.646) 1.935 10.472 ( -1.053 4.835 0.768) 5.008 10.583 ( 0.958 0.159 -3.347) 3.485 10.827 ( 1.213 0.186 1.126) 1.665 10.860 ( 0.818 -0.581 -0.640) 1.190 11.682 ( -1.938 3.292 3.284) 5.037 11.806 ( -1.021 -2.572 4.664) 5.423 11.872 ( -0.622 2.777 -1.827) 3.382 11.997 ( 1.428 -3.211 -0.215) 3.521 12.880 ( -0.396 0.235 0.309) 0.555 12.893 ( -0.296 -0.442 0.384) 0.656 12.949 ( 0.053 0.608 -0.125) 0.623 12.967 ( 0.091 -0.284 -0.287) 0.414 13.449 ( -0.330 0.857 0.247) 0.950 13.474 ( -0.016 0.315 0.090) 0.328 13.497 ( 0.432 0.025 -0.173) 0.466 13.514 ( -0.161 -0.083 -1.235) 1.248 23.897 ( -2.092 4.341 -1.523) 5.053 24.117 ( -4.278 -0.694 -4.293) 6.100 24.241 ( 2.541 0.774 2.968) 3.983 24.584 ( 2.174 -11.144 -1.393) 11.440 25.176 ( -3.044 5.800 2.162) 6.898 25.394 ( -0.824 -3.705 -0.706) 3.861 25.695 ( -2.571 6.260 -2.797) 7.322 25.825 ( 0.141 0.912 -2.494) 2.660 ======================= Grid point 115 (62/88) ======================= q-point: (-0.57 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 4.033 3.081 -3.237) 6.020 1.541 ( -2.556 -0.361 -0.601) 2.650 1.630 ( -9.967 2.719 -3.860) 11.029 1.709 ( 3.342 4.083 -4.394) 6.867 1.788 ( -1.529 3.961 -10.098) 10.954 1.879 ( 1.171 -0.063 -6.288) 6.396 1.908 ( 2.102 1.228 -0.367) 2.462 2.027 ( -1.724 -3.194 -4.895) 6.094 2.128 ( -0.439 0.372 2.918) 2.975 2.180 ( 2.009 -3.308 -0.291) 3.881 2.417 ( -2.900 1.844 -1.503) 3.751 2.476 ( -2.993 -1.763 -1.377) 3.737 2.744 ( -2.851 4.670 -0.274) 5.478 2.820 ( -0.956 3.114 -2.066) 3.857 2.827 ( -0.384 1.846 -0.324) 1.913 2.919 ( 0.935 0.106 -3.267) 3.400 3.067 ( -2.937 7.839 -0.570) 8.390 3.138 ( -1.240 3.671 -3.489) 5.214 3.262 ( -0.127 -2.156 1.351) 2.547 3.299 ( 2.569 -1.836 -2.893) 4.282 3.575 ( 0.360 1.160 -1.105) 1.642 3.666 ( 7.102 1.408 5.808) 9.282 3.680 ( -1.127 -0.877 -0.766) 1.620 3.807 ( 2.794 -4.159 4.803) 6.941 3.936 ( 4.525 6.832 5.259) 9.737 4.009 ( 0.688 5.015 0.388) 5.077 4.122 ( 1.538 -1.699 0.658) 2.384 4.246 ( 2.882 1.204 3.094) 4.397 4.385 ( -1.313 -10.133 0.804) 10.250 4.435 ( 2.681 -5.392 3.157) 6.800 4.550 ( -4.853 2.567 0.521) 5.514 4.622 ( 1.968 3.304 0.304) 3.857 4.707 ( -3.938 -1.268 -2.260) 4.714 4.775 ( -0.773 -0.859 -3.789) 3.962 4.806 ( -1.768 -0.713 1.246) 2.278 4.958 ( -2.264 -6.247 -2.068) 6.959 5.823 ( 0.338 6.316 -0.268) 6.331 5.925 ( 1.796 2.715 -4.454) 5.517 6.248 ( -0.283 -2.807 0.204) 2.829 6.285 ( -2.085 -4.460 -0.991) 5.022 7.479 ( -1.120 6.167 -0.058) 6.268 7.525 ( 0.548 7.529 -2.236) 7.873 7.814 ( -0.566 -9.742 0.868) 9.797 7.900 ( -0.091 -9.848 -2.123) 10.075 8.167 ( -0.662 -0.635 2.194) 2.378 8.172 ( 1.837 -0.004 1.740) 2.530 8.191 ( 0.725 -0.413 3.064) 3.175 8.226 ( 1.191 -1.439 1.267) 2.257 10.462 ( -0.825 4.304 0.904) 4.474 10.567 ( 0.709 -0.432 -3.315) 3.417 10.863 ( 0.838 0.253 0.967) 1.304 10.872 ( 1.039 0.026 -0.165) 1.052 11.689 ( -0.824 3.418 3.420) 4.905 11.822 ( -0.937 -0.982 2.284) 2.657 11.859 ( -0.114 1.005 1.360) 1.695 12.015 ( 0.823 -4.441 -0.464) 4.541 12.880 ( 0.024 0.245 0.503) 0.560 12.892 ( -0.133 -0.388 0.358) 0.544 12.944 ( -0.272 0.545 -0.425) 0.743 12.960 ( -0.282 -0.270 -0.630) 0.741 13.443 ( -0.373 0.881 0.143) 0.967 13.475 ( -0.202 -0.372 0.215) 0.475 13.497 ( 0.002 0.502 -1.143) 1.248 13.507 ( 0.440 -0.082 -0.425) 0.617 23.852 ( -0.845 2.949 -1.705) 3.510 23.981 ( -4.082 -1.341 -5.067) 6.643 24.333 ( 3.154 2.397 3.336) 5.179 24.579 ( -0.763 -8.107 -2.971) 8.668 25.160 ( -1.067 4.107 2.863) 5.119 25.347 ( -2.347 -4.538 -2.138) 5.538 25.660 ( 0.745 7.917 -0.655) 7.979 25.801 ( 0.322 1.221 -3.352) 3.582 ======================= Grid point 116 (63/88) ======================= q-point: (-0.43 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -9.012 8.502 -5.368) 13.502 1.457 ( -7.145 8.034 4.826) 11.784 1.479 ( -0.536 0.899 -7.696) 7.767 1.725 ( 0.089 0.754 -1.367) 1.564 1.737 ( 0.944 -0.623 -0.541) 1.254 1.828 ( 0.117 -0.564 -8.656) 8.675 1.886 ( -2.521 1.173 -1.552) 3.185 1.919 ( -1.500 0.260 -2.539) 2.960 2.179 ( 0.470 1.792 2.159) 2.845 2.218 ( 0.100 -0.039 0.502) 0.513 2.325 ( -7.548 3.478 1.293) 8.410 2.366 ( -6.115 0.893 1.486) 6.356 2.726 ( 1.055 3.589 -0.359) 3.758 2.805 ( 1.082 5.234 -0.865) 5.414 2.839 ( 2.641 0.139 -0.802) 2.763 2.927 ( 3.135 1.560 -2.661) 4.398 3.031 ( -1.041 5.755 1.014) 5.935 3.127 ( 3.216 2.913 -2.130) 4.833 3.244 ( -0.756 -4.781 -1.215) 4.991 3.334 ( 2.784 -4.470 -3.119) 6.121 3.579 ( -0.698 0.009 2.747) 2.835 3.632 ( -2.312 -2.300 -0.594) 3.315 3.824 ( 1.997 1.739 2.876) 3.909 3.855 ( 0.738 1.943 1.136) 2.369 4.009 ( -0.596 2.265 1.297) 2.678 4.031 ( 0.143 5.495 2.354) 5.979 4.182 ( -0.350 -1.893 1.789) 2.628 4.287 ( -1.477 -5.608 -1.286) 5.941 4.359 ( 0.802 -0.569 3.990) 4.109 4.468 ( -1.011 0.958 -1.063) 1.752 4.511 ( 1.026 -5.628 4.128) 7.055 4.602 ( -2.693 -4.519 -3.897) 6.547 4.697 ( -1.788 1.905 -2.881) 3.889 4.709 ( 3.403 1.101 -0.544) 3.618 4.840 ( 2.600 -2.955 2.198) 4.508 4.907 ( 0.132 -4.803 -2.430) 5.384 5.824 ( -0.039 4.928 -0.229) 4.933 5.908 ( 0.914 1.919 -5.346) 5.753 6.242 ( -1.480 -1.796 0.551) 2.392 6.275 ( 2.052 -2.470 0.134) 3.214 7.458 ( -1.058 6.832 0.165) 6.915 7.520 ( 0.951 7.482 -1.850) 7.766 7.819 ( 0.057 -10.173 1.211) 10.245 7.878 ( -0.009 -9.819 -1.881) 9.998 8.170 ( -0.955 0.245 2.126) 2.344 8.199 ( -0.213 -0.641 1.429) 1.581 8.238 ( 1.046 0.139 1.166) 1.573 8.263 ( 1.590 -0.813 0.663) 1.905 10.458 ( -0.612 3.974 1.255) 4.212 10.554 ( 1.125 -0.397 -3.053) 3.278 10.861 ( -1.089 0.868 0.480) 1.472 10.901 ( 1.671 0.025 -0.756) 1.834 11.706 ( -0.855 2.656 3.194) 4.241 11.823 ( 0.194 1.110 0.092) 1.131 11.885 ( -0.030 -1.808 3.611) 4.038 12.026 ( 1.468 -4.176 -1.332) 4.623 12.888 ( 0.091 0.153 0.620) 0.645 12.893 ( -0.189 -0.131 0.257) 0.345 12.935 ( -0.291 0.364 -0.114) 0.480 12.949 ( -0.161 -0.365 -0.593) 0.715 13.441 ( -0.166 0.696 0.588) 0.926 13.469 ( -0.238 0.110 -0.236) 0.352 13.484 ( -0.594 0.269 -0.564) 0.862 13.514 ( 0.746 -0.321 -0.745) 1.103 23.844 ( 1.277 2.023 -0.082) 2.394 23.889 ( -0.989 0.590 -3.844) 4.012 24.408 ( 0.864 -0.482 4.123) 4.240 24.496 ( -4.432 -4.299 -4.134) 7.431 25.187 ( 0.507 2.242 3.979) 4.595 25.289 ( -1.031 -2.864 -2.515) 3.949 25.700 ( 3.160 6.698 0.337) 7.414 25.782 ( 1.998 3.064 -4.775) 6.015 ======================= Grid point 117 (64/88) ======================= q-point: (-0.29 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -4.866 11.981 8.042) 15.228 1.364 ( -8.607 12.039 8.240) 16.938 1.452 ( 2.992 0.632 -1.356) 3.345 1.707 ( -2.571 -3.480 -0.630) 4.372 1.718 ( -1.871 -3.665 -3.162) 5.189 1.754 ( -0.500 -3.986 3.917) 5.611 1.882 ( 0.679 2.894 2.323) 3.773 1.933 ( 2.123 1.963 1.151) 3.112 2.119 ( -6.427 5.800 -0.333) 8.664 2.146 ( -10.878 5.464 1.624) 12.281 2.215 ( 0.853 -0.671 -0.745) 1.316 2.310 ( -2.852 0.572 2.675) 3.952 2.770 ( 0.916 5.176 2.502) 5.822 2.843 ( 4.744 4.853 -0.516) 6.806 2.915 ( 4.053 -0.338 -0.849) 4.155 2.981 ( 4.472 1.853 -3.162) 5.782 3.041 ( 0.716 5.702 2.147) 6.135 3.157 ( 1.962 2.026 -4.406) 5.231 3.264 ( 3.748 -3.548 -0.679) 5.205 3.328 ( -0.935 -4.655 -2.310) 5.280 3.567 ( -1.974 -2.910 -0.425) 3.542 3.614 ( -0.500 -2.188 2.446) 3.320 3.747 ( -5.218 3.528 -5.146) 8.134 3.912 ( 1.418 0.740 0.363) 1.641 3.961 ( -3.744 3.608 -0.615) 5.236 4.005 ( -6.200 1.834 -4.572) 7.919 4.088 ( -0.306 -0.309 2.845) 2.878 4.314 ( -0.209 -5.279 -1.971) 5.639 4.377 ( -1.366 0.497 2.318) 2.736 4.462 ( -2.576 -3.229 0.132) 4.132 4.553 ( 1.935 -3.130 -0.882) 3.784 4.562 ( 0.134 -4.859 3.319) 5.885 4.647 ( -0.489 3.678 0.137) 3.713 4.778 ( 3.309 -0.858 0.484) 3.453 4.897 ( 2.828 -0.800 0.663) 3.013 4.969 ( 5.433 -5.014 1.460) 7.536 5.819 ( -0.246 3.506 -0.031) 3.515 5.870 ( 0.311 1.727 -3.878) 4.256 6.233 ( -0.136 0.092 0.991) 1.005 6.325 ( 2.844 -3.465 -0.010) 4.482 7.448 ( -0.415 7.522 0.931) 7.591 7.527 ( 1.132 6.870 -1.001) 7.034 7.834 ( 0.280 -10.567 1.100) 10.628 7.869 ( 0.361 -10.039 -0.939) 10.090 8.165 ( -1.111 0.525 0.366) 1.282 8.194 ( -0.875 -0.597 0.123) 1.066 8.247 ( -0.184 0.561 -0.756) 0.959 8.286 ( 0.753 -0.817 -1.051) 1.529 10.460 ( -0.504 4.069 1.444) 4.347 10.555 ( 1.713 0.395 -2.595) 3.135 10.835 ( -1.785 1.461 0.139) 2.311 10.913 ( 1.034 -0.224 -2.255) 2.491 11.714 ( -0.765 1.710 2.306) 2.971 11.827 ( -0.900 -1.016 1.724) 2.194 11.912 ( 0.647 -0.432 0.442) 0.895 12.048 ( 2.010 -3.740 -1.967) 4.680 12.888 ( -0.378 0.207 0.130) 0.450 12.894 ( -0.086 -0.030 0.500) 0.509 12.933 ( -0.110 0.175 0.562) 0.599 12.946 ( 0.231 -0.539 -0.193) 0.618 13.447 ( -0.109 0.236 1.035) 1.067 13.462 ( -1.180 -0.619 0.231) 1.352 13.469 ( 0.444 1.678 -0.584) 1.831 13.521 ( 0.746 -0.633 -0.729) 1.220 23.874 ( 2.000 2.583 -1.662) 3.665 23.913 ( 4.513 1.383 3.314) 5.767 24.347 ( -6.533 -0.639 -3.069) 7.246 24.441 ( -1.817 -4.477 4.446) 6.566 25.238 ( 1.229 0.684 1.092) 1.781 25.275 ( 0.745 -0.959 1.906) 2.260 25.748 ( 2.528 5.861 -3.097) 7.095 25.817 ( 5.993 4.580 -3.594) 8.356 ======================= Grid point 118 (65/88) ======================= q-point: (-0.14 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -1.807 11.633 12.764) 17.364 1.310 ( -7.273 10.602 13.868) 18.911 1.563 ( 7.623 1.542 1.078) 7.852 1.654 ( -3.817 -6.887 3.393) 8.574 1.689 ( -0.020 -3.908 1.568) 4.211 1.808 ( 0.418 -4.177 6.754) 7.952 1.900 ( -0.192 2.012 -2.169) 2.965 1.961 ( -8.538 10.156 10.019) 16.626 1.996 ( 2.147 -0.540 1.006) 2.432 2.060 ( 0.645 2.230 -3.028) 3.815 2.247 ( 1.574 -2.355 1.210) 3.080 2.306 ( 0.539 -1.230 4.183) 4.393 2.798 ( -0.393 7.783 3.433) 8.515 2.941 ( 3.525 2.972 0.117) 4.612 2.956 ( 1.768 1.528 -2.165) 3.185 2.989 ( -0.103 0.818 -0.688) 1.074 3.097 ( 3.078 6.958 -0.662) 7.638 3.144 ( 1.271 4.278 -5.331) 6.953 3.243 ( -3.978 -1.433 -2.517) 4.921 3.324 ( 2.786 -0.613 -0.404) 2.881 3.480 ( -5.117 -1.063 -1.493) 5.435 3.591 ( -2.111 -0.796 -0.700) 2.362 3.681 ( 0.836 -1.086 -2.175) 2.571 3.819 ( -5.070 -1.255 -4.662) 7.001 3.903 ( -1.142 4.562 -2.024) 5.120 3.960 ( 0.926 1.154 0.368) 1.525 4.125 ( 1.678 -1.729 0.937) 2.585 4.266 ( -2.780 0.576 -3.619) 4.600 4.296 ( -3.017 -6.489 -1.407) 7.293 4.435 ( -2.639 -5.731 -0.285) 6.316 4.561 ( 0.438 -0.179 -0.196) 0.512 4.603 ( 0.506 -2.965 3.574) 4.671 4.693 ( 2.828 4.569 3.406) 6.362 4.848 ( 2.766 -0.633 1.557) 3.236 4.960 ( 1.672 0.389 0.873) 1.926 5.069 ( 3.051 -5.113 0.349) 5.964 5.810 ( -0.431 4.180 -0.062) 4.202 5.882 ( 3.316 0.338 -1.202) 3.543 6.261 ( 1.514 -1.401 2.371) 3.142 6.376 ( 2.454 -5.066 -0.204) 5.633 7.461 ( 0.363 7.569 1.773) 7.783 7.541 ( 0.923 6.275 -0.577) 6.369 7.852 ( 0.494 -10.728 1.009) 10.787 7.869 ( 0.156 -9.953 -0.304) 9.959 8.125 ( -2.012 0.785 -1.818) 2.823 8.177 ( -0.765 -1.292 -0.542) 1.596 8.222 ( -0.965 0.480 -1.826) 2.120 8.268 ( -0.681 -1.143 -2.728) 3.035 10.467 ( -0.251 4.630 1.734) 4.951 10.568 ( 1.943 1.539 -2.474) 3.502 10.804 ( -1.478 1.298 0.374) 2.002 10.900 ( 0.457 -0.647 -3.355) 3.447 11.724 ( -0.390 0.796 2.315) 2.479 11.812 ( -3.189 -3.154 3.199) 5.509 11.918 ( 1.192 2.553 -2.481) 3.754 12.043 ( 0.023 -2.760 -3.847) 4.735 12.885 ( -0.073 0.268 0.434) 0.515 12.896 ( -0.214 -0.147 0.553) 0.611 12.937 ( -0.189 0.187 0.736) 0.783 12.950 ( 0.163 -0.506 0.048) 0.534 13.445 ( -0.837 0.031 0.573) 1.015 13.456 ( 0.044 -0.017 1.204) 1.205 13.479 ( 0.720 1.337 -0.085) 1.521 13.528 ( 0.754 -0.487 -0.898) 1.270 23.925 ( 3.915 4.767 -0.079) 6.169 24.042 ( 2.553 4.141 3.114) 5.776 24.249 ( -0.047 -5.318 1.786) 5.610 24.426 ( -3.837 -8.028 4.266) 9.867 25.254 ( 0.599 2.247 0.153) 2.331 25.333 ( 1.248 -1.131 3.619) 3.992 25.763 ( 2.830 6.959 -4.049) 8.534 25.896 ( 5.472 2.641 -5.207) 8.002 ======================= Grid point 119 (66/88) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -6.656 -10.046 10.198) 15.787 1.425 ( -6.656 10.046 10.198) 15.787 1.588 ( 1.148 -10.857 7.242) 13.101 1.588 ( 1.148 10.857 7.242) 13.101 1.807 ( 8.572 -4.610 -2.386) 10.021 1.807 ( 8.572 4.610 -2.386) 10.021 1.899 ( -1.723 -4.435 -6.351) 7.936 1.899 ( -1.723 4.435 -6.351) 7.936 2.085 ( 1.710 -2.435 4.048) 5.024 2.085 ( 1.710 2.435 4.048) 5.024 2.346 ( 2.809 -2.848 6.074) 7.273 2.346 ( 2.809 2.848 6.074) 7.273 2.909 ( -0.320 -1.608 -1.087) 1.967 2.909 ( -0.320 1.608 -1.087) 1.967 3.018 ( 0.184 -1.580 0.096) 1.594 3.018 ( 0.184 1.580 0.096) 1.594 3.228 ( 2.906 -1.432 -0.587) 3.292 3.228 ( 2.906 1.432 -0.587) 3.292 3.292 ( -0.108 -6.569 -0.675) 6.605 3.292 ( -0.108 6.569 -0.675) 6.605 3.437 ( -4.102 -5.093 2.474) 6.992 3.437 ( -4.102 5.093 2.474) 6.992 3.677 ( 0.380 -3.038 -3.992) 5.031 3.677 ( 0.380 3.038 -3.992) 5.031 3.951 ( -1.445 -1.568 -1.419) 2.562 3.951 ( -1.445 1.568 -1.419) 2.562 4.135 ( 0.379 -3.180 -0.818) 3.306 4.135 ( 0.379 3.180 -0.818) 3.306 4.247 ( -2.050 -4.153 -2.301) 5.171 4.247 ( -2.050 4.153 -2.301) 5.171 4.632 ( 2.217 -1.916 2.392) 3.783 4.632 ( 2.217 1.916 2.392) 3.783 4.856 ( 1.243 -3.966 1.252) 4.341 4.856 ( 1.243 3.966 1.251) 4.341 4.997 ( -1.602 -3.326 0.054) 3.692 4.997 ( -1.602 3.326 0.054) 3.692 5.913 ( 2.513 -3.894 0.231) 4.640 5.913 ( 2.513 3.894 0.231) 4.640 6.292 ( -0.131 -3.560 -0.424) 3.588 6.292 ( -0.131 3.560 -0.424) 3.588 7.645 ( 0.181 -6.329 0.474) 6.349 7.645 ( 0.181 6.329 0.474) 6.349 7.705 ( 0.499 -4.954 0.291) 4.988 7.705 ( 0.499 4.954 0.291) 4.988 8.107 ( -1.354 -2.061 -0.964) 2.647 8.107 ( -1.354 2.061 -0.964) 2.647 8.196 ( -0.940 -1.112 -2.394) 2.802 8.196 ( -0.940 1.112 -2.394) 2.802 10.566 ( 0.673 -3.228 0.004) 3.298 10.566 ( 0.673 3.228 0.004) 3.298 10.830 ( -0.158 -2.940 -1.720) 3.410 10.830 ( -0.158 2.940 -1.720) 3.410 11.749 ( -1.917 -1.164 3.374) 4.051 11.749 ( -1.917 1.164 3.374) 4.051 11.964 ( 0.335 -2.020 -3.193) 3.793 11.964 ( 0.335 2.020 -3.193) 3.793 12.893 ( -0.279 -0.137 0.649) 0.720 12.893 ( -0.279 0.137 0.649) 0.720 12.947 ( 0.170 -0.390 0.337) 0.543 12.947 ( 0.170 0.390 0.337) 0.543 13.455 ( -0.158 -0.851 1.368) 1.619 13.455 ( -0.158 0.851 1.368) 1.619 13.516 ( 0.641 -1.272 -1.125) 1.815 13.516 ( 0.641 1.272 -1.125) 1.815 24.162 ( 3.442 -9.243 2.278) 10.123 24.162 ( 3.442 9.243 2.278) 10.123 24.190 ( -2.265 -9.350 0.850) 9.658 24.190 ( -2.265 9.350 0.850) 9.658 25.334 ( -0.261 -3.136 2.652) 4.115 25.334 ( -0.261 3.136 2.652) 4.115 25.877 ( 1.307 -3.833 -5.122) 6.530 25.877 ( 1.307 3.833 -5.122) 6.530 ======================= Grid point 121 (67/88) ======================= q-point: ( 0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -2.436 -10.954 6.258) 12.849 1.408 ( -2.436 10.954 6.258) 12.849 1.691 ( 2.774 -8.350 7.049) 11.274 1.691 ( 2.774 8.350 7.049) 11.274 1.815 ( -0.873 -3.933 -5.391) 6.730 1.815 ( -0.873 3.933 -5.391) 6.730 1.956 ( 9.225 -3.457 -4.475) 10.820 1.956 ( 9.225 3.457 -4.475) 10.820 2.138 ( 0.319 -1.817 -0.133) 1.850 2.138 ( 0.319 1.817 -0.133) 1.850 2.439 ( 1.879 -1.243 3.134) 3.859 2.439 ( 1.879 1.243 3.134) 3.859 2.902 ( 0.182 -0.797 -1.021) 1.308 2.902 ( 0.182 0.797 -1.021) 1.308 3.003 ( -1.618 -1.309 -0.761) 2.216 3.003 ( -1.618 1.309 -0.761) 2.216 3.238 ( -1.582 -4.855 -2.618) 5.738 3.238 ( -1.582 4.855 -2.618) 5.738 3.284 ( 1.818 -4.484 -0.313) 4.849 3.284 ( 1.818 4.484 -0.313) 4.849 3.428 ( 0.065 -4.808 4.983) 6.925 3.428 ( 0.065 4.808 4.983) 6.925 3.675 ( 1.367 -4.093 -2.608) 5.042 3.675 ( 1.367 4.093 -2.608) 5.042 3.919 ( -0.138 -4.837 0.089) 4.840 3.919 ( -0.138 4.837 0.089) 4.840 4.146 ( 0.589 -5.382 -0.100) 5.415 4.146 ( 0.589 5.382 -0.100) 5.415 4.214 ( 0.297 -2.943 0.003) 2.958 4.214 ( 0.297 2.943 0.003) 2.958 4.686 ( 1.744 -2.410 0.153) 2.979 4.686 ( 1.744 2.410 0.153) 2.979 4.850 ( -1.882 -1.471 -1.149) 2.650 4.850 ( -1.882 1.471 -1.149) 2.650 4.951 ( -3.433 -3.058 1.393) 4.803 4.951 ( -3.433 3.058 1.393) 4.803 5.946 ( 1.605 -4.529 -2.028) 5.216 5.946 ( 1.605 4.529 -2.028) 5.216 6.271 ( -1.667 -2.964 -0.015) 3.401 6.271 ( -1.667 2.964 -0.015) 3.401 7.643 ( -0.506 -5.683 0.001) 5.705 7.643 ( -0.506 5.683 0.001) 5.705 7.717 ( 0.608 -6.190 -0.160) 6.221 7.717 ( 0.608 6.190 -0.160) 6.221 8.093 ( 0.031 -0.587 0.971) 1.135 8.093 ( 0.031 0.587 0.971) 1.135 8.170 ( -0.210 -0.963 -0.897) 1.332 8.170 ( -0.210 0.963 -0.897) 1.332 10.569 ( -0.115 -3.185 -0.544) 3.233 10.569 ( -0.115 3.185 -0.544) 3.233 10.824 ( 0.727 -1.972 -0.749) 2.231 10.824 ( 0.727 1.972 -0.749) 2.231 11.745 ( -1.806 -2.127 3.573) 4.534 11.745 ( -1.806 2.127 3.573) 4.534 11.943 ( 0.247 -1.812 -2.201) 2.862 11.943 ( 0.247 1.812 -2.201) 2.862 12.890 ( -0.493 -0.178 0.473) 0.706 12.890 ( -0.493 0.178 0.473) 0.706 12.955 ( 0.350 -0.467 0.142) 0.600 12.955 ( 0.350 0.467 0.142) 0.600 13.465 ( -0.156 -0.902 1.094) 1.427 13.465 ( -0.156 0.902 1.094) 1.427 13.513 ( 0.292 -1.145 -1.375) 1.814 13.513 ( 0.292 1.145 -1.375) 1.814 24.098 ( -4.606 -8.827 0.220) 9.959 24.098 ( -4.606 8.827 0.220) 9.959 24.290 ( 5.150 -10.725 0.518) 11.908 24.290 ( 5.150 10.725 0.518) 11.908 25.333 ( -2.052 -4.693 1.856) 5.448 25.333 ( -2.052 4.693 1.856) 5.448 25.839 ( -0.507 -2.463 -3.916) 4.654 25.839 ( -0.507 2.463 -3.916) 4.654 ======================= Grid point 123 (68/88) ======================= q-point: ( 0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 2.213 -8.298 1.712) 8.757 1.449 ( 2.213 8.298 1.712) 8.757 1.755 ( -0.747 -3.060 -1.577) 3.522 1.755 ( -0.747 3.060 -1.577) 3.522 1.828 ( 4.316 -3.575 3.679) 6.704 1.828 ( 4.316 3.575 3.679) 6.704 2.022 ( 0.838 -4.912 -9.294) 10.546 2.022 ( 0.838 4.912 -9.294) 10.546 2.105 ( 0.861 -2.323 -1.142) 2.728 2.105 ( 0.861 2.323 -1.142) 2.728 2.470 ( 0.532 -1.243 -0.990) 1.676 2.470 ( 0.532 1.243 -0.990) 1.676 2.872 ( -2.978 -1.131 0.298) 3.199 2.872 ( -2.978 1.131 0.298) 3.199 2.943 ( -2.412 -1.112 -2.603) 3.719 2.943 ( -2.412 1.112 -2.603) 3.719 3.222 ( 0.699 -2.829 -1.348) 3.210 3.222 ( 0.699 2.829 -1.348) 3.210 3.273 ( -0.767 -4.971 -2.566) 5.647 3.273 ( -0.767 4.971 -2.566) 5.647 3.539 ( 5.088 -6.810 6.545) 10.729 3.539 ( 5.088 6.810 6.545) 10.729 3.653 ( 0.180 -3.716 -3.594) 5.173 3.653 ( 0.180 3.716 -3.594) 5.173 3.969 ( 2.894 -6.789 3.428) 8.137 3.969 ( 2.894 6.789 3.428) 8.137 4.149 ( 0.248 -8.839 -0.097) 8.843 4.149 ( 0.248 8.839 -0.097) 8.843 4.258 ( 2.218 -4.148 2.719) 5.433 4.258 ( 2.218 4.148 2.719) 5.433 4.692 ( -0.386 -4.303 -1.745) 4.659 4.692 ( -0.386 4.303 -1.745) 4.659 4.778 ( -4.100 -3.756 -0.799) 5.617 4.778 ( -4.100 3.756 -0.799) 5.617 4.900 ( -2.852 -3.689 0.388) 4.679 4.900 ( -2.852 3.689 0.388) 4.679 5.942 ( 0.914 -3.894 -3.508) 5.320 5.942 ( 0.914 3.894 -3.508) 5.320 6.239 ( -1.788 -2.226 0.664) 2.932 6.239 ( -1.788 2.226 0.664) 2.932 7.630 ( -0.757 -6.084 -0.033) 6.131 7.630 ( -0.757 6.084 -0.033) 6.131 7.721 ( 0.417 -7.680 -1.193) 7.783 7.721 ( 0.417 7.680 -1.193) 7.783 8.124 ( 1.317 -0.671 2.299) 2.733 8.124 ( 1.317 0.671 2.299) 2.733 8.170 ( 0.146 -1.084 1.062) 1.525 8.170 ( 0.146 1.084 1.062) 1.525 10.554 ( -0.569 -3.180 -1.013) 3.386 10.554 ( -0.569 3.180 -1.013) 3.386 10.841 ( 1.285 -1.124 0.093) 1.710 10.841 ( 1.285 1.124 0.093) 1.710 11.748 ( -1.453 -3.331 3.850) 5.295 11.748 ( -1.453 3.331 3.850) 5.295 11.932 ( 0.232 -3.365 -1.346) 3.632 11.932 ( 0.232 3.365 -1.346) 3.632 12.885 ( -0.352 -0.327 0.370) 0.606 12.885 ( -0.352 0.327 0.370) 0.606 12.960 ( 0.110 -0.472 -0.263) 0.552 12.960 ( 0.110 0.472 -0.263) 0.552 13.467 ( -0.412 -0.862 0.558) 1.106 13.467 ( -0.412 0.862 0.558) 1.106 13.506 ( 0.343 -0.662 -1.146) 1.367 13.506 ( 0.343 0.662 -1.146) 1.367 24.008 ( -4.036 -6.828 -1.696) 8.111 24.008 ( -4.036 6.828 -1.696) 8.111 24.377 ( 3.728 -9.888 -0.013) 10.567 24.377 ( 3.728 9.888 -0.013) 10.567 25.296 ( -2.848 -6.042 0.870) 6.736 25.296 ( -2.848 6.042 0.870) 6.736 25.796 ( -0.579 -3.710 -2.536) 4.531 25.796 ( -0.579 3.710 -2.536) 4.531 ======================= Grid point 125 (69/88) ======================= q-point: (-0.57 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 1.345 -4.022 -2.773) 5.067 1.488 ( 1.345 4.022 -2.773) 5.067 1.709 ( -4.399 -3.662 0.437) 5.740 1.709 ( -4.399 3.662 0.437) 5.740 1.857 ( 0.909 -2.609 -9.563) 9.954 1.857 ( 0.909 2.609 -9.563) 9.954 1.951 ( 0.050 -3.545 -2.182) 4.163 1.951 ( 0.050 3.545 -2.182) 4.163 2.141 ( 2.358 -1.124 1.960) 3.266 2.141 ( 2.358 1.124 1.960) 3.266 2.443 ( -2.954 -1.383 -0.313) 3.277 2.443 ( -2.954 1.383 -0.313) 3.277 2.814 ( -2.719 -2.007 0.242) 3.388 2.814 ( -2.719 2.007 0.242) 3.388 2.894 ( 0.608 -2.941 -2.819) 4.119 2.894 ( 0.608 2.941 -2.819) 4.119 3.201 ( -1.891 -4.040 -1.283) 4.642 3.201 ( -1.891 4.040 -1.283) 4.642 3.227 ( -0.168 -5.719 -3.802) 6.870 3.227 ( -0.168 5.719 -3.802) 6.870 3.616 ( -0.197 -3.150 -1.146) 3.358 3.616 ( -0.197 3.150 -1.146) 3.358 3.730 ( 6.301 -3.631 5.367) 9.038 3.730 ( 6.301 3.631 5.367) 9.038 4.060 ( 2.686 -4.985 3.533) 6.674 4.060 ( 2.686 4.985 3.533) 6.674 4.155 ( -0.015 -9.439 0.388) 9.447 4.155 ( -0.015 9.439 0.388) 9.447 4.333 ( 2.445 -4.419 3.387) 6.081 4.333 ( 2.445 4.419 3.387) 6.081 4.619 ( -5.223 -3.922 -1.531) 6.709 4.619 ( -5.223 3.922 -1.531) 6.709 4.725 ( -0.146 -3.813 -1.194) 3.998 4.725 ( -0.146 3.813 -1.194) 3.998 4.848 ( -1.669 -4.098 -1.661) 4.726 4.848 ( -1.669 4.098 -1.661) 4.726 5.925 ( 0.816 -3.237 -3.633) 4.934 5.925 ( 0.816 3.237 -3.633) 4.934 6.223 ( -0.596 -1.066 1.099) 1.643 6.223 ( -0.596 1.066 1.099) 1.643 7.617 ( -0.543 -6.876 0.086) 6.898 7.617 ( -0.543 6.876 0.086) 6.898 7.711 ( 0.119 -8.055 -1.901) 8.277 7.711 ( 0.119 8.055 -1.901) 8.277 8.165 ( 0.083 -0.416 2.687) 2.720 8.165 ( 0.083 0.416 2.687) 2.720 8.201 ( 1.610 -1.112 1.944) 2.758 8.201 ( 1.610 1.112 1.944) 2.758 10.535 ( -0.350 -2.926 -1.044) 3.127 10.535 ( -0.350 2.926 -1.044) 3.127 10.868 ( 1.144 -0.304 0.319) 1.226 10.868 ( 1.144 0.304 0.319) 1.226 11.760 ( -1.378 -3.815 4.325) 5.930 11.760 ( -1.378 3.815 4.325) 5.930 11.927 ( 0.733 -4.415 -1.420) 4.695 11.927 ( 0.733 4.415 -1.420) 4.695 12.886 ( -0.043 -0.297 0.464) 0.553 12.886 ( -0.043 0.297 0.464) 0.553 12.954 ( -0.279 -0.430 -0.603) 0.792 12.954 ( -0.279 0.430 -0.603) 0.792 13.462 ( -0.513 -0.927 0.369) 1.122 13.462 ( -0.513 0.927 0.369) 1.122 13.504 ( 0.423 -0.251 -1.036) 1.147 13.504 ( 0.423 0.251 -1.036) 1.147 23.923 ( -2.426 -3.991 -2.619) 5.355 23.923 ( -2.426 3.991 -2.619) 5.355 24.428 ( 1.470 -6.925 -0.004) 7.079 24.428 ( 1.470 6.925 -0.004) 7.079 25.253 ( -2.016 -5.078 0.529) 5.489 25.253 ( -2.016 5.078 0.529) 5.489 25.776 ( 0.744 -3.823 -2.032) 4.393 25.776 ( 0.744 3.823 -2.032) 4.393 ======================= Grid point 127 (70/88) ======================= q-point: (-0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -2.812 -5.140 -4.632) 7.469 1.430 ( -2.812 5.140 -4.632) 7.469 1.629 ( -4.586 -7.955 3.510) 9.830 1.629 ( -4.586 7.955 3.510) 9.830 1.782 ( -1.595 -3.178 -7.843) 8.612 1.782 ( -1.595 3.178 -7.843) 8.612 1.915 ( -0.326 -1.130 -0.629) 1.333 1.915 ( -0.326 1.130 -0.629) 1.333 2.208 ( 0.390 -1.139 1.634) 2.030 2.208 ( 0.390 1.139 1.634) 2.030 2.364 ( -5.124 -1.249 2.049) 5.658 2.364 ( -5.124 1.249 2.049) 5.658 2.798 ( 1.793 -3.369 -0.375) 3.835 2.798 ( 1.793 3.369 -0.375) 3.835 2.912 ( 2.610 -3.865 -1.589) 4.927 2.912 ( 2.610 3.865 -1.589) 4.927 3.145 ( -1.193 -4.786 -1.201) 5.076 3.145 ( -1.193 4.786 -1.201) 5.076 3.222 ( 1.987 -6.318 -2.179) 6.972 3.222 ( 1.987 6.318 -2.179) 6.972 3.590 ( -2.015 -1.505 0.453) 2.555 3.590 ( -2.015 1.505 0.453) 2.555 3.861 ( 2.996 -1.547 1.723) 3.786 3.861 ( 2.996 1.547 1.723) 3.786 4.090 ( -3.388 -4.967 1.071) 6.107 4.090 ( -3.388 4.967 1.071) 6.107 4.163 ( 1.414 -5.774 -0.083) 5.945 4.163 ( 1.414 5.774 -0.083) 5.945 4.405 ( 0.328 -4.379 5.204) 6.809 4.405 ( 0.328 4.379 5.204) 6.809 4.518 ( -2.299 -3.788 -2.159) 4.929 4.518 ( -2.299 3.788 -2.159) 4.929 4.724 ( 0.803 -0.526 -1.699) 1.952 4.724 ( 0.803 0.526 -1.699) 1.952 4.829 ( 1.753 -2.386 -0.811) 3.070 4.829 ( 1.753 2.386 -0.811) 3.070 5.901 ( -0.079 -2.583 -3.121) 4.052 5.901 ( -0.079 2.583 -3.121) 4.052 6.235 ( 0.750 -1.179 0.784) 1.602 6.235 ( 0.750 1.179 0.784) 1.602 7.612 ( -0.180 -7.581 0.265) 7.588 7.612 ( -0.180 7.581 0.265) 7.588 7.696 ( 0.157 -7.381 -1.588) 7.552 7.696 ( 0.157 7.381 -1.588) 7.552 8.182 ( -0.559 -0.917 2.153) 2.406 8.182 ( -0.559 0.917 2.153) 2.406 8.247 ( 1.478 -0.741 0.863) 1.865 8.247 ( 1.478 0.741 0.863) 1.865 10.525 ( 0.231 -2.647 -0.732) 2.756 10.525 ( 0.231 2.647 -0.732) 2.756 10.885 ( 0.513 -1.361 -0.257) 1.477 10.885 ( 0.513 1.361 -0.257) 1.477 11.769 ( -1.971 -3.814 4.245) 6.037 11.769 ( -1.971 3.814 4.245) 6.037 11.939 ( 2.140 -4.536 -1.736) 5.308 11.939 ( 2.140 4.536 -1.736) 5.308 12.890 ( -0.024 -0.124 0.503) 0.519 12.890 ( -0.024 0.124 0.503) 0.519 12.942 ( -0.282 -0.371 -0.457) 0.653 12.942 ( -0.282 0.371 -0.457) 0.653 13.456 ( -0.523 -0.874 0.638) 1.201 13.456 ( -0.523 0.874 0.638) 1.201 13.501 ( 0.367 -0.914 -1.152) 1.516 13.501 ( 0.367 0.914 -1.152) 1.516 23.881 ( 0.353 -1.415 -1.533) 2.116 23.881 ( 0.353 1.415 -1.533) 2.116 24.426 ( -1.741 -2.466 0.051) 3.019 24.426 ( -1.741 2.466 0.051) 3.019 25.237 ( -0.350 -2.656 0.929) 2.835 25.237 ( -0.350 2.656 0.929) 2.835 25.789 ( 2.820 -2.290 -2.395) 4.352 25.789 ( 2.820 2.290 -2.395) 4.352 ======================= Grid point 129 (71/88) ======================= q-point: (-0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -1.281 -8.779 2.835) 9.314 1.370 ( -1.281 8.779 2.835) 9.314 1.578 ( -5.984 -9.368 5.440) 12.375 1.578 ( -5.984 9.368 5.440) 12.375 1.690 ( -1.568 -2.043 -1.602) 3.033 1.690 ( -1.568 2.043 -1.602) 3.033 1.938 ( 1.284 -1.788 1.944) 2.937 1.938 ( 1.284 1.788 1.944) 2.937 2.169 ( -2.287 -2.225 -3.158) 4.490 2.169 ( -2.287 2.225 -3.158) 4.490 2.282 ( -6.036 -3.954 2.696) 7.703 2.282 ( -6.036 3.954 2.696) 7.703 2.874 ( 4.786 -3.716 0.632) 6.093 2.874 ( 4.786 3.716 0.632) 6.093 2.945 ( 1.701 -4.453 -0.185) 4.770 2.945 ( 1.701 4.453 -0.185) 4.770 3.159 ( 2.941 -5.565 -0.057) 6.295 3.159 ( 2.941 5.565 -0.057) 6.295 3.238 ( 1.205 -4.486 -2.212) 5.145 3.238 ( 1.205 4.486 -2.212) 5.145 3.559 ( -1.959 -2.143 1.108) 3.108 3.559 ( -1.959 2.143 1.108) 3.108 3.844 ( -3.055 -5.633 -5.019) 8.139 3.844 ( -3.055 5.633 -5.019) 8.139 4.019 ( -3.209 -0.643 1.576) 3.632 4.019 ( -3.209 0.643 1.576) 3.632 4.173 ( 0.087 -7.802 -1.455) 7.937 4.173 ( 0.087 7.802 -1.455) 7.937 4.399 ( -3.387 -2.399 0.607) 4.194 4.399 ( -3.387 2.399 0.607) 4.194 4.520 ( 1.408 -1.223 1.914) 2.672 4.520 ( 1.408 1.223 1.914) 2.672 4.732 ( 1.447 -4.164 0.566) 4.445 4.732 ( 1.447 4.164 0.566) 4.445 4.902 ( 4.888 -1.505 0.824) 5.180 4.902 ( 4.888 1.505 0.824) 5.180 5.871 ( -0.458 -1.597 -1.583) 2.295 5.871 ( -0.458 1.597 -1.583) 2.295 6.261 ( 1.442 -2.751 -0.036) 3.106 6.261 ( 1.442 2.751 -0.036) 3.106 7.616 ( 0.187 -7.962 0.636) 7.989 7.616 ( 0.187 7.962 0.636) 7.989 7.690 ( 0.338 -6.528 -0.711) 6.575 7.690 ( 0.338 6.528 -0.711) 6.575 8.179 ( -0.972 -0.866 0.178) 1.314 8.179 ( -0.972 0.866 0.178) 1.314 8.265 ( 0.333 -1.203 -0.971) 1.581 8.265 ( 0.333 1.203 -0.971) 1.581 10.530 ( 0.802 -2.831 -0.271) 2.955 10.530 ( 0.802 2.831 -0.271) 2.955 10.880 ( -0.205 -2.666 -1.343) 2.993 10.880 ( -0.205 2.666 -1.343) 2.993 11.764 ( -2.175 -3.442 3.496) 5.366 11.764 ( -2.175 3.442 3.496) 5.366 11.969 ( 2.470 -4.163 -2.165) 5.302 11.969 ( 2.470 4.163 -2.165) 5.302 12.891 ( -0.253 -0.181 0.365) 0.480 12.891 ( -0.253 0.181 0.365) 0.480 12.938 ( 0.036 -0.320 0.144) 0.353 12.938 ( 0.036 0.320 0.144) 0.353 13.452 ( -0.703 -0.393 0.870) 1.186 13.452 ( -0.703 0.393 0.870) 1.186 13.501 ( 0.657 -1.443 -0.870) 1.809 13.501 ( 0.657 1.443 -0.870) 1.809 23.915 ( 3.606 -1.239 0.838) 3.904 23.915 ( 3.606 1.239 0.838) 3.904 24.366 ( -4.511 -2.701 0.343) 5.269 24.366 ( -4.511 2.701 0.343) 5.269 25.257 ( 0.998 -1.000 1.782) 2.274 25.257 ( 0.998 1.000 1.782) 2.274 25.833 ( 4.333 -2.391 -3.484) 6.052 25.833 ( 4.333 2.391 -3.484) 6.052 ======================= Grid point 131 (72/88) ======================= q-point: (-0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -0.442 -8.956 7.821) 11.899 1.425 ( -0.442 8.956 7.821) 11.899 1.525 ( -4.360 -8.470 8.410) 12.708 1.525 ( -4.360 8.470 8.410) 12.708 1.705 ( 2.088 -5.435 2.337) 6.274 1.705 ( 2.088 5.435 2.337) 6.274 1.961 ( -0.163 -3.110 -0.905) 3.243 1.961 ( -0.163 3.110 -0.905) 3.243 2.083 ( -3.238 -2.277 -2.052) 4.459 2.083 ( -3.238 2.277 -2.052) 4.459 2.252 ( 0.761 -3.574 4.092) 5.486 2.252 ( 0.761 3.574 4.092) 5.486 2.926 ( -0.540 -4.238 0.832) 4.353 2.926 ( -0.540 4.238 0.832) 4.353 2.989 ( 3.101 -1.013 -0.606) 3.318 2.989 ( 3.101 1.013 -0.606) 3.318 3.205 ( 1.170 -1.410 -1.615) 2.443 3.205 ( 1.170 1.410 -1.615) 2.443 3.252 ( 2.775 -5.530 0.436) 6.202 3.252 ( 2.775 5.530 0.436) 6.202 3.512 ( -4.338 -5.058 0.875) 6.721 3.512 ( -4.338 5.058 0.875) 6.721 3.736 ( -1.426 -5.293 -6.092) 8.195 3.736 ( -1.426 5.293 -6.092) 8.195 3.985 ( -1.754 -2.429 0.275) 3.008 3.985 ( -1.754 2.429 0.275) 3.008 4.150 ( -0.306 -6.342 -2.119) 6.693 4.150 ( -0.306 6.342 -2.119) 6.693 4.322 ( -3.375 -4.559 -2.131) 6.059 4.322 ( -3.375 4.559 -2.131) 6.059 4.570 ( 1.249 -1.152 3.441) 3.838 4.570 ( 1.249 1.152 3.441) 3.838 4.793 ( 2.752 -5.050 2.682) 6.346 4.793 ( 2.752 5.050 2.682) 6.346 4.988 ( 2.609 -2.586 0.450) 3.701 4.988 ( 2.609 2.586 0.450) 3.701 5.869 ( 1.167 -1.952 0.329) 2.298 5.869 ( 1.167 1.952 0.329) 2.298 6.285 ( 1.215 -3.654 -0.481) 3.881 6.285 ( 1.215 3.654 -0.481) 3.881 7.630 ( 0.483 -7.575 0.907) 7.644 7.630 ( 0.483 7.575 0.907) 7.644 7.694 ( 0.408 -5.620 0.031) 5.635 7.694 ( 0.408 5.620 0.031) 5.635 8.149 ( -1.450 -1.490 -1.448) 2.533 8.149 ( -1.450 1.490 -1.448) 2.533 8.241 ( -0.958 -1.430 -2.511) 3.045 8.241 ( -0.958 1.430 -2.511) 3.045 10.548 ( 1.038 -3.200 0.086) 3.365 10.548 ( 1.038 3.200 0.086) 3.365 10.856 ( -0.539 -3.322 -2.026) 3.928 10.856 ( -0.539 3.322 -2.026) 3.928 11.755 ( -1.986 -2.384 3.208) 4.463 11.755 ( -1.986 2.384 3.208) 4.463 11.981 ( 1.233 -3.474 -3.123) 4.831 11.981 ( 1.233 3.474 -3.123) 4.831 12.891 ( -0.191 -0.297 0.537) 0.642 12.891 ( -0.191 0.297 0.537) 0.642 12.942 ( 0.046 -0.319 0.390) 0.506 12.942 ( 0.046 0.319 0.390) 0.506 13.449 ( -0.507 -0.417 1.206) 1.373 13.449 ( -0.507 0.417 1.206) 1.373 13.509 ( 0.900 -1.411 -0.738) 1.829 13.509 ( 0.900 1.411 -0.738) 1.829 24.026 ( 5.957 -4.964 2.459) 8.135 24.026 ( 5.957 4.964 2.459) 8.135 24.274 ( -5.419 -6.778 0.979) 8.733 24.274 ( -5.419 6.778 0.979) 8.733 25.299 ( 1.082 -2.236 2.575) 3.578 25.299 ( 1.082 2.236 2.575) 3.578 25.875 ( 3.717 -4.118 -4.841) 7.362 25.875 ( 3.717 4.118 -4.841) 7.362 ======================= Grid point 147 (73/88) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 15.171 0.000 -15.601) 21.761 1.372 ( -15.171 0.000 15.601) 21.761 1.406 ( -3.827 0.000 -16.183) 16.630 1.406 ( 3.827 0.000 16.183) 16.630 1.916 ( 5.602 0.000 -2.672) 6.206 1.916 ( -5.602 0.000 2.672) 6.206 2.055 ( -4.647 0.000 -1.522) 4.890 2.055 ( 4.647 0.000 1.522) 4.890 2.280 ( -2.883 0.000 0.262) 2.895 2.280 ( 2.883 0.000 -0.262) 2.895 2.404 ( -3.238 0.000 -6.614) 7.364 2.404 ( 3.238 0.000 6.614) 7.364 2.751 ( 0.854 0.000 -7.244) 7.294 2.751 ( -0.854 0.000 7.244) 7.294 2.878 ( 3.489 0.000 -3.725) 5.104 2.878 ( -3.489 0.000 3.725) 5.104 2.966 ( 1.128 0.000 -0.495) 1.232 2.966 ( -1.128 0.000 0.495) 1.232 3.201 ( 1.595 0.000 -3.379) 3.736 3.201 ( -1.595 0.000 3.379) 3.736 3.389 ( 0.784 0.000 -1.398) 1.603 3.389 ( -0.784 0.000 1.398) 1.603 3.634 ( -5.725 0.000 0.009) 5.725 3.634 ( 5.725 0.000 -0.009) 5.725 4.018 ( 4.364 0.000 -4.402) 6.198 4.018 ( -4.364 0.000 4.402) 6.198 4.156 ( -0.991 0.000 -2.837) 3.005 4.156 ( 0.991 0.000 2.837) 3.005 4.468 ( 0.733 0.000 -0.651) 0.980 4.468 ( -0.733 0.000 0.651) 0.980 4.587 ( 3.136 0.000 -2.193) 3.827 4.587 ( -3.136 0.000 2.193) 3.827 4.784 ( -0.459 0.000 -3.050) 3.084 4.784 ( 0.459 0.000 3.050) 3.084 5.035 ( 3.277 0.000 -3.565) 4.842 5.035 ( -3.277 0.000 3.565) 4.842 5.727 ( 1.710 0.000 -6.222) 6.452 5.727 ( -1.710 0.000 6.222) 6.452 6.585 ( 1.325 0.000 -2.344) 2.692 6.585 ( -1.325 0.000 2.344) 2.692 7.402 ( -1.217 0.000 -0.646) 1.378 7.402 ( 1.217 0.000 0.646) 1.378 8.105 ( 1.101 0.000 -0.994) 1.483 8.105 ( -1.101 0.000 0.994) 1.483 8.157 ( -1.737 0.000 -1.151) 2.084 8.157 ( 1.737 0.000 1.151) 2.084 8.220 ( -0.204 0.000 -0.018) 0.205 8.220 ( 0.204 0.000 0.018) 0.205 10.414 ( 2.487 0.000 -3.260) 4.101 10.414 ( -2.487 0.000 3.260) 4.101 10.825 ( -0.278 0.000 -0.321) 0.425 10.825 ( 0.278 0.000 0.321) 0.425 11.821 ( 4.666 0.000 -1.814) 5.007 11.821 ( -4.666 0.000 1.814) 5.007 11.875 ( 2.060 0.000 -3.179) 3.788 11.875 ( -2.060 0.000 3.179) 3.788 12.898 ( -0.490 0.000 -0.106) 0.501 12.898 ( 0.490 0.000 0.106) 0.501 12.955 ( 0.699 0.000 -0.846) 1.097 12.955 ( -0.699 0.000 0.846) 1.097 13.439 ( -0.220 0.000 -0.212) 0.305 13.439 ( 0.220 0.000 0.212) 0.305 13.509 ( 0.233 0.000 -0.629) 0.670 13.509 ( -0.233 0.000 0.629) 0.670 23.875 ( -2.409 0.000 -0.519) 2.464 23.875 ( 2.409 0.000 0.519) 2.464 24.791 ( 7.382 0.000 -8.003) 10.887 24.791 ( -7.382 0.000 8.003) 10.887 25.166 ( -0.232 0.000 -1.463) 1.481 25.166 ( 0.232 0.000 1.463) 1.481 25.706 ( -1.732 0.000 -2.129) 2.744 25.706 ( 1.732 0.000 2.129) 2.744 ======================= Grid point 149 (74/88) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -2.286 0.000 -9.849) 10.111 1.292 ( -3.526 0.000 4.801) 5.957 1.492 ( 10.122 0.000 -14.303) 17.522 1.619 ( 4.974 0.000 6.800) 8.425 1.872 ( -1.148 0.000 2.312) 2.581 1.924 ( -6.452 0.000 -1.865) 6.716 2.017 ( 6.163 0.000 -1.823) 6.427 2.093 ( -3.727 0.000 -4.168) 5.591 2.116 ( -4.850 0.000 -9.127) 10.336 2.230 ( 3.853 0.000 -19.698) 20.072 2.265 ( -3.719 0.000 -6.256) 7.278 2.482 ( 1.849 0.000 -1.217) 2.213 2.700 ( 0.431 0.000 -5.843) 5.858 2.795 ( -1.333 0.000 5.464) 5.624 2.834 ( -2.270 0.000 0.763) 2.395 2.884 ( 0.001 0.000 -1.688) 1.688 2.950 ( 0.093 0.000 -1.766) 1.768 3.032 ( 6.196 0.000 1.658) 6.414 3.200 ( -1.969 0.000 -1.221) 2.317 3.260 ( 1.156 0.000 4.295) 4.448 3.410 ( 1.956 0.000 4.279) 4.705 3.414 ( 2.079 0.000 4.126) 4.621 3.610 ( 0.153 0.000 6.727) 6.728 3.774 ( 6.144 0.000 2.587) 6.667 3.932 ( -6.912 0.000 1.136) 7.005 3.992 ( -0.600 0.000 -7.935) 7.958 4.154 ( 0.661 0.000 4.754) 4.800 4.198 ( 0.590 0.000 2.398) 2.470 4.473 ( -0.435 0.000 2.309) 2.350 4.488 ( 1.983 0.000 -1.259) 2.349 4.530 ( -2.968 0.000 0.991) 3.129 4.590 ( 0.709 0.000 -3.209) 3.286 4.793 ( 1.973 0.000 -1.182) 2.300 4.838 ( 0.098 0.000 3.451) 3.453 5.011 ( -3.280 0.000 4.861) 5.864 5.078 ( 3.185 0.000 -0.456) 3.217 5.713 ( 2.126 0.000 -4.668) 5.130 5.755 ( -2.115 0.000 6.871) 7.189 6.498 ( -7.362 0.000 -2.614) 7.812 6.531 ( -3.106 0.000 -3.468) 4.656 7.362 ( -1.463 0.000 -1.794) 2.315 7.412 ( -0.072 0.000 -0.961) 0.963 8.105 ( 0.279 0.000 1.377) 1.405 8.116 ( 0.899 0.000 -1.102) 1.422 8.122 ( -1.488 0.000 0.477) 1.563 8.201 ( 0.417 0.000 2.822) 2.853 8.218 ( 0.534 0.000 -0.286) 0.606 8.226 ( 0.607 0.000 -0.339) 0.695 10.401 ( -1.569 0.000 2.835) 3.240 10.428 ( 2.608 0.000 -4.253) 4.990 10.824 ( 0.566 0.000 -0.489) 0.748 10.839 ( 0.825 0.000 0.240) 0.859 11.724 ( -5.415 0.000 2.702) 6.052 11.797 ( -0.965 0.000 -3.009) 3.160 11.925 ( 1.016 0.000 5.055) 5.156 12.002 ( 7.162 0.000 2.124) 7.471 12.885 ( -0.562 0.000 -0.213) 0.601 12.903 ( 0.180 0.000 -0.264) 0.319 12.951 ( -0.578 0.000 0.904) 1.073 12.960 ( 0.562 0.000 -0.904) 1.064 13.431 ( -0.284 0.000 -0.550) 0.619 13.448 ( 0.510 0.000 0.331) 0.608 13.501 ( -0.299 0.000 -1.110) 1.150 13.511 ( -0.067 0.000 0.722) 0.725 23.826 ( -1.748 0.000 -1.206) 2.124 23.926 ( 2.709 0.000 -0.396) 2.738 24.618 ( -14.336 0.000 1.318) 14.397 24.789 ( 1.159 0.000 -7.302) 7.394 25.201 ( 3.826 0.000 1.359) 4.061 25.202 ( 1.356 0.000 0.977) 1.671 25.614 ( -4.042 0.000 -5.275) 6.646 25.718 ( -0.981 0.000 -0.771) 1.248 ======================= Grid point 150 (75/88) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 8.444 0.000 -9.899) 13.011 1.334 ( 3.011 0.000 1.733) 3.475 1.413 ( 0.673 0.000 -23.568) 23.577 1.654 ( -5.145 0.000 2.628) 5.778 1.785 ( -12.665 0.000 -7.179) 14.558 1.826 ( -2.165 0.000 -0.998) 2.384 1.899 ( 0.356 0.000 0.204) 0.410 2.008 ( -3.705 0.000 -5.908) 6.974 2.136 ( 6.034 0.000 -2.740) 6.627 2.149 ( -2.061 0.000 -3.171) 3.782 2.212 ( 12.776 0.000 -17.704) 21.832 2.435 ( -2.297 0.000 -6.367) 6.769 2.685 ( -0.154 0.000 1.189) 1.199 2.761 ( -5.639 0.000 1.696) 5.888 2.815 ( 2.139 0.000 -4.563) 5.040 2.882 ( -0.921 0.000 3.738) 3.849 2.944 ( -0.071 0.000 -0.144) 0.161 3.051 ( -5.127 0.000 -2.109) 5.544 3.283 ( 6.853 0.000 7.977) 10.516 3.285 ( 0.762 0.000 0.788) 1.096 3.541 ( 4.213 0.000 6.353) 7.622 3.544 ( 6.624 0.000 6.334) 9.165 3.715 ( -0.217 0.000 9.084) 9.087 3.809 ( -1.912 0.000 -2.525) 3.168 3.880 ( 3.574 0.000 -1.317) 3.809 3.906 ( -1.261 0.000 -3.608) 3.822 4.213 ( -0.939 0.000 1.143) 1.480 4.257 ( 3.441 0.000 8.323) 9.007 4.490 ( 1.145 0.000 -7.282) 7.371 4.494 ( 1.025 0.000 1.469) 1.791 4.533 ( 1.513 0.000 3.293) 3.624 4.584 ( 0.313 0.000 0.995) 1.042 4.787 ( -1.685 0.000 -1.279) 2.115 4.822 ( -3.823 0.000 0.694) 3.886 5.004 ( -1.764 0.000 3.684) 4.085 5.103 ( -1.351 0.000 -0.984) 1.672 5.718 ( 2.337 0.000 -3.824) 4.482 5.754 ( -3.440 0.000 4.113) 5.362 6.329 ( -4.194 0.000 -4.330) 6.028 6.431 ( -3.901 0.000 -2.621) 4.700 7.325 ( -0.463 0.000 -1.638) 1.702 7.386 ( -1.181 0.000 -1.726) 2.092 8.107 ( -0.993 0.000 1.218) 1.571 8.116 ( 0.257 0.000 -1.082) 1.112 8.139 ( 1.426 0.000 1.510) 2.077 8.204 ( -1.190 0.000 1.370) 1.814 8.240 ( 1.296 0.000 -0.346) 1.342 8.249 ( 0.955 0.000 1.579) 1.845 10.409 ( -0.962 0.000 3.859) 3.977 10.435 ( 2.475 0.000 -4.704) 5.315 10.838 ( 1.272 0.000 -0.391) 1.331 10.858 ( 0.796 0.000 0.273) 0.842 11.674 ( -2.726 0.000 3.175) 4.185 11.752 ( -1.079 0.000 -2.515) 2.737 11.993 ( 0.984 0.000 5.350) 5.440 12.119 ( 2.153 0.000 2.070) 2.987 12.878 ( -0.055 0.000 0.164) 0.173 12.902 ( 0.014 0.000 -0.442) 0.442 12.948 ( -0.670 0.000 0.917) 1.136 12.957 ( 0.116 0.000 -1.087) 1.093 13.421 ( -0.127 0.000 -0.518) 0.534 13.464 ( 0.402 0.000 0.110) 0.417 13.479 ( -0.323 0.000 -0.997) 1.048 13.518 ( -0.041 0.000 0.710) 0.711 23.790 ( -0.873 0.000 -0.938) 1.281 23.939 ( -1.232 0.000 -2.974) 3.219 24.396 ( -4.587 0.000 -1.359) 4.784 24.723 ( -0.984 0.000 -7.212) 7.278 25.227 ( -0.387 0.000 3.001) 3.026 25.313 ( 4.415 0.000 4.501) 6.305 25.475 ( -3.774 0.000 -7.240) 8.164 25.664 ( -2.432 0.000 -3.352) 4.141 ======================= Grid point 151 (76/88) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 3.649 0.000 -18.292) 18.653 1.257 ( -3.268 0.000 -0.781) 3.360 1.348 ( 9.645 0.000 -7.003) 11.919 1.530 ( -11.114 0.000 4.757) 12.089 1.667 ( 1.283 0.000 6.183) 6.314 1.769 ( -2.230 0.000 -4.192) 4.748 1.853 ( -1.785 0.000 -1.399) 2.268 1.881 ( -2.712 0.000 -5.192) 5.857 2.155 ( 1.257 0.000 3.021) 3.272 2.193 ( 1.544 0.000 -2.677) 3.090 2.313 ( 9.177 0.000 -10.797) 14.170 2.348 ( -2.486 0.000 0.641) 2.567 2.668 ( -3.935 0.000 1.680) 4.279 2.670 ( -1.971 0.000 0.093) 1.973 2.847 ( 5.563 0.000 -4.786) 7.338 2.898 ( -2.145 0.000 4.737) 5.201 2.932 ( -1.742 0.000 1.362) 2.211 2.939 ( -3.288 0.000 -2.109) 3.907 3.334 ( 3.222 0.000 1.251) 3.457 3.391 ( -1.273 0.000 2.458) 2.769 3.631 ( 1.735 0.000 0.018) 1.735 3.649 ( -2.932 0.000 2.368) 3.769 3.744 ( 4.182 0.000 4.255) 5.966 3.832 ( -1.383 0.000 -4.378) 4.591 3.939 ( 4.563 0.000 6.646) 8.062 3.954 ( 2.767 0.000 1.133) 2.990 4.219 ( 1.634 0.000 4.088) 4.403 4.374 ( -4.045 0.000 -8.752) 9.642 4.430 ( 6.287 0.000 5.158) 8.132 4.529 ( 0.401 0.000 0.433) 0.590 4.612 ( 1.160 0.000 1.013) 1.540 4.623 ( 3.774 0.000 3.101) 4.885 4.702 ( -6.858 0.000 -2.918) 7.453 4.718 ( -3.791 0.000 -1.408) 4.044 5.004 ( -0.912 0.000 1.981) 2.181 5.031 ( -1.944 0.000 -3.118) 3.674 5.725 ( 1.889 0.000 -3.501) 3.978 5.729 ( -2.012 0.000 2.882) 3.515 6.291 ( 1.427 0.000 -0.282) 1.454 6.344 ( -3.147 0.000 -1.480) 3.478 7.319 ( 0.824 0.000 -0.388) 0.911 7.346 ( -1.417 0.000 -1.057) 1.768 8.104 ( -0.488 0.000 1.210) 1.305 8.109 ( 0.118 0.000 -1.005) 1.012 8.172 ( 1.253 0.000 0.025) 1.254 8.191 ( -1.259 0.000 0.965) 1.586 8.264 ( 1.142 0.000 -0.250) 1.169 8.270 ( -0.118 0.000 1.051) 1.057 10.427 ( -1.538 0.000 4.691) 4.937 10.435 ( 2.185 0.000 -4.808) 5.281 10.860 ( 1.058 0.000 -0.155) 1.069 10.869 ( -0.007 0.000 0.196) 0.197 11.675 ( -0.364 0.000 3.054) 3.076 11.709 ( -0.917 0.000 -2.656) 2.810 12.061 ( 1.310 0.000 4.627) 4.809 12.121 ( -1.298 0.000 -1.951) 2.343 12.885 ( 0.350 0.000 0.534) 0.639 12.896 ( -0.175 0.000 -0.508) 0.538 12.944 ( -0.533 0.000 0.840) 0.995 12.947 ( 0.034 0.000 -1.063) 1.063 13.421 ( 0.389 0.000 0.267) 0.472 13.441 ( -0.903 0.000 -1.178) 1.484 13.497 ( 1.077 0.000 0.549) 1.209 13.517 ( -0.610 0.000 0.060) 0.613 23.785 ( 0.651 0.000 0.968) 1.167 23.843 ( -3.033 0.000 -4.100) 5.099 24.449 ( 5.184 0.000 5.642) 7.662 24.609 ( -3.725 0.000 -8.015) 8.838 25.259 ( -0.334 0.000 6.328) 6.337 25.339 ( -1.523 0.000 -7.813) 7.960 25.452 ( 3.532 0.000 5.816) 6.804 25.570 ( -3.097 0.000 -5.339) 6.172 ======================= Grid point 155 (77/88) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 14.718 3.880 -14.676) 21.144 1.411 ( -14.718 3.880 14.676) 21.144 1.475 ( -2.219 6.378 -14.126) 15.657 1.475 ( 2.219 6.378 14.126) 15.657 1.874 ( 4.544 -4.128 -3.905) 7.276 1.874 ( -4.544 -4.128 3.905) 7.276 2.009 ( -3.110 -4.433 -1.486) 5.615 2.009 ( 3.110 -4.433 1.486) 5.615 2.217 ( -1.710 -4.091 -2.874) 5.284 2.217 ( 1.710 -4.091 2.874) 5.284 2.451 ( -2.258 1.822 -6.121) 6.774 2.451 ( 2.258 1.822 6.121) 6.774 2.788 ( 0.725 3.791 -6.073) 7.196 2.788 ( -0.725 3.791 6.073) 7.196 2.922 ( 2.582 4.541 -2.989) 6.018 2.922 ( -2.582 4.541 2.989) 6.018 2.996 ( 0.174 3.112 -0.678) 3.190 2.996 ( -0.174 3.112 0.678) 3.190 3.214 ( -0.029 1.345 -4.784) 4.970 3.214 ( 0.029 1.345 4.784) 4.970 3.424 ( -3.205 2.693 -3.357) 5.366 3.424 ( 3.205 2.693 3.357) 5.366 3.644 ( -3.253 1.374 -0.466) 3.562 3.644 ( 3.253 1.374 0.466) 3.562 3.969 ( 1.431 -4.235 -4.718) 6.500 3.969 ( -1.431 -4.235 4.718) 6.500 4.152 ( 0.172 -0.588 -1.918) 2.013 4.152 ( -0.172 -0.588 1.918) 2.013 4.431 ( -1.854 -5.187 -1.847) 5.810 4.431 ( 1.854 -5.187 1.847) 5.810 4.565 ( -0.287 0.632 -2.847) 2.931 4.565 ( 0.287 0.632 2.847) 2.931 4.830 ( -2.640 3.008 -2.871) 4.926 4.830 ( 2.640 3.008 2.871) 4.926 5.027 ( 1.584 -0.556 -4.240) 4.560 5.027 ( -1.584 -0.556 4.240) 4.560 5.771 ( 1.716 3.983 -5.162) 6.742 5.771 ( -1.716 3.983 5.162) 6.742 6.521 ( 0.872 -6.172 -2.124) 6.585 6.521 ( -0.872 -6.172 2.124) 6.585 7.432 ( -0.729 3.161 -1.208) 3.461 7.432 ( 0.729 3.161 1.208) 3.461 8.036 ( 0.721 -6.768 -0.587) 6.832 8.036 ( -0.721 -6.768 0.587) 6.832 8.132 ( -1.956 -1.906 -1.731) 3.233 8.132 ( 1.956 -1.906 1.731) 3.233 8.212 ( -0.091 -0.959 -0.505) 1.088 8.212 ( 0.091 -0.959 0.505) 1.088 10.450 ( 1.991 3.398 -3.084) 5.002 10.450 ( -1.991 3.398 3.084) 5.002 10.827 ( 0.094 0.055 -1.319) 1.323 10.827 ( -0.094 0.055 1.319) 1.323 11.807 ( -2.493 -0.878 -1.888) 3.248 11.807 ( 2.493 -0.878 1.888) 3.248 11.894 ( -1.811 1.369 -3.163) 3.894 11.894 ( 1.811 1.369 3.163) 3.894 12.899 ( -0.391 0.075 -0.146) 0.424 12.899 ( 0.391 0.075 0.146) 0.424 12.954 ( 0.612 -0.114 -0.721) 0.953 12.954 ( -0.612 -0.114 0.721) 0.953 13.445 ( 0.188 0.642 -0.282) 0.726 13.445 ( -0.188 0.642 0.282) 0.726 13.509 ( 0.297 -0.065 -0.887) 0.937 13.509 ( -0.297 -0.065 0.887) 0.937 23.911 ( -3.086 3.769 -0.300) 4.880 23.911 ( 3.086 3.769 0.300) 4.880 24.654 ( 5.437 -11.488 -3.427) 13.164 24.654 ( -5.437 -11.488 3.427) 13.164 25.240 ( 0.512 5.426 -3.908) 6.707 25.240 ( -0.512 5.426 3.908) 6.707 25.742 ( -1.569 3.066 -3.192) 4.696 25.742 ( 1.569 3.066 3.192) 4.696 ======================= Grid point 157 (78/88) ======================= q-point: ( 0.14 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -6.215 5.257 1.912) 8.362 1.351 ( 0.800 6.828 -6.673) 9.581 1.541 ( 9.616 4.886 -12.774) 16.718 1.645 ( 3.248 2.318 5.925) 7.143 1.831 ( -1.171 -3.881 2.590) 4.811 1.879 ( -2.761 -4.105 -2.635) 5.605 2.010 ( 5.856 -1.017 -1.747) 6.196 2.025 ( -4.762 -4.768 -3.123) 7.427 2.109 ( -1.877 -1.060 -6.638) 6.979 2.208 ( 3.471 -2.263 -11.299) 12.035 2.321 ( -3.192 3.145 -7.803) 8.998 2.481 ( 0.475 -0.835 -5.772) 5.852 2.747 ( 0.646 5.059 -4.712) 6.943 2.821 ( -1.530 2.996 5.081) 6.094 2.869 ( -3.565 3.629 1.039) 5.192 2.922 ( -1.238 3.624 -1.124) 3.992 2.983 ( 0.399 3.527 -2.106) 4.128 3.034 ( 4.964 0.582 0.915) 5.081 3.212 ( 0.664 0.839 0.039) 1.071 3.295 ( -1.882 3.346 0.816) 3.925 3.368 ( 3.143 -0.540 5.714) 6.543 3.500 ( 1.778 4.174 3.429) 5.687 3.654 ( 2.080 4.407 5.105) 7.057 3.764 ( 5.540 -0.885 3.402) 6.561 3.867 ( -5.847 -5.580 -2.305) 8.404 3.975 ( -0.929 -1.715 -1.854) 2.691 4.153 ( -0.397 -0.451 2.320) 2.396 4.181 ( 0.971 -1.087 2.830) 3.184 4.411 ( 1.186 -4.901 -0.317) 5.052 4.492 ( 1.979 -2.347 1.515) 3.424 4.552 ( 0.843 1.778 -1.232) 2.321 4.597 ( -0.602 0.154 2.596) 2.669 4.754 ( -0.824 -0.278 -3.061) 3.182 4.856 ( -1.757 1.007 0.401) 2.064 4.997 ( -2.626 -1.674 1.152) 3.320 5.079 ( 1.952 -0.352 2.389) 3.105 5.756 ( 0.735 3.910 -2.473) 4.684 5.789 ( -1.094 3.094 3.505) 4.801 6.437 ( -5.643 -5.560 -3.522) 8.670 6.485 ( -2.901 -4.652 -1.950) 5.819 7.397 ( -1.069 3.645 -1.916) 4.255 7.443 ( -0.251 3.118 -0.275) 3.140 8.028 ( -0.808 -7.749 1.079) 7.865 8.052 ( 0.838 -6.491 -0.938) 6.612 8.100 ( 0.185 -0.817 0.351) 0.908 8.188 ( 1.764 -1.874 1.584) 3.022 8.205 ( -0.309 -0.787 0.751) 1.131 8.225 ( 0.412 -0.326 0.986) 1.117 10.434 ( -1.221 3.122 1.459) 3.656 10.464 ( 1.774 3.341 -2.637) 4.611 10.822 ( 0.547 -0.261 -0.679) 0.910 10.846 ( 0.702 0.503 0.907) 1.252 11.728 ( -3.965 0.676 1.557) 4.313 11.822 ( -1.596 2.250 -1.797) 3.292 11.899 ( 2.011 -2.313 3.513) 4.662 11.996 ( 4.752 -0.785 2.436) 5.397 12.887 ( -0.539 0.167 -0.169) 0.589 12.904 ( 0.109 -0.002 -0.156) 0.191 12.949 ( -0.468 -0.140 0.543) 0.730 12.959 ( 0.514 -0.112 -0.770) 0.933 13.440 ( -0.357 0.868 -0.205) 0.961 13.451 ( 0.541 0.340 -0.045) 0.641 13.500 ( -0.234 -0.111 -1.172) 1.201 13.512 ( -0.142 -0.032 0.763) 0.777 23.852 ( -2.379 2.779 -0.923) 3.773 23.971 ( 3.044 4.545 -0.681) 5.512 24.493 ( -10.262 -10.312 -0.685) 14.564 24.705 ( 2.846 -8.699 -5.510) 10.683 25.177 ( -2.648 2.967 1.999) 4.451 25.325 ( 3.912 5.209 0.428) 6.529 25.645 ( -4.488 3.188 -4.143) 6.890 25.765 ( -0.970 3.885 0.330) 4.018 ======================= Grid point 158 (79/88) ======================= q-point: ( 0.29 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 4.127 5.151 -6.143) 9.017 1.375 ( 5.477 5.542 -4.110) 8.809 1.481 ( 0.279 5.961 -18.740) 19.668 1.655 ( -4.303 -0.430 3.064) 5.300 1.787 ( -10.643 0.592 -5.714) 12.094 1.823 ( -1.368 -1.073 -1.548) 2.328 1.871 ( 1.146 -1.049 1.189) 1.957 2.026 ( -2.366 0.296 -5.317) 5.827 2.118 ( 5.964 -1.466 -2.146) 6.505 2.194 ( -3.607 3.166 -2.667) 5.490 2.247 ( 13.033 2.912 -14.974) 20.064 2.405 ( -1.373 -1.985 -5.977) 6.447 2.730 ( -0.108 4.739 -0.607) 4.779 2.772 ( -5.512 1.766 0.395) 5.801 2.842 ( -1.255 2.787 -1.218) 3.291 2.884 ( -1.685 -0.051 2.948) 3.396 2.986 ( 0.435 4.128 0.031) 4.151 3.075 ( -2.633 1.593 -2.029) 3.686 3.265 ( 0.456 -0.366 0.930) 1.098 3.296 ( 4.471 0.118 6.078) 7.546 3.548 ( 7.717 1.400 7.100) 10.579 3.567 ( 1.830 0.861 3.512) 4.053 3.732 ( -4.975 -2.941 -1.868) 6.074 3.786 ( 5.403 3.743 6.064) 8.943 3.884 ( 4.297 0.361 1.285) 4.500 3.927 ( -1.775 0.730 -1.767) 2.609 4.164 ( -0.203 -3.558 1.151) 3.745 4.251 ( 2.251 -0.413 5.911) 6.339 4.462 ( 3.655 -3.085 -1.448) 4.998 4.523 ( 0.766 -0.230 -0.664) 1.040 4.553 ( -0.842 2.613 0.727) 2.840 4.584 ( -0.481 0.609 0.725) 1.062 4.743 ( -0.294 -5.169 -1.169) 5.307 4.796 ( -3.822 -0.092 -0.450) 3.850 4.949 ( -3.108 -3.920 1.431) 5.203 5.090 ( -2.442 -2.564 -0.754) 3.620 5.752 ( 0.124 3.203 -0.206) 3.212 5.787 ( -0.599 3.087 -0.004) 3.145 6.304 ( -2.958 -2.325 -3.547) 5.171 6.402 ( -3.617 -3.026 -1.748) 5.030 7.366 ( -0.185 4.150 -1.766) 4.514 7.421 ( -1.298 3.493 -0.955) 3.846 8.018 ( -1.000 -7.881 0.978) 8.004 8.048 ( -0.049 -6.696 -1.101) 6.786 8.142 ( 2.187 0.100 1.484) 2.644 8.203 ( -0.123 -0.567 0.481) 0.754 8.230 ( 0.879 -1.181 1.202) 1.901 8.248 ( 0.374 0.108 2.015) 2.052 10.434 ( -0.489 2.384 1.995) 3.147 10.468 ( 1.305 2.968 -2.865) 4.327 10.836 ( 1.408 -0.150 -0.371) 1.463 10.867 ( 0.503 0.690 0.810) 1.177 11.690 ( -1.917 1.674 2.305) 3.434 11.777 ( -1.509 2.348 -1.677) 3.256 11.967 ( 1.145 -2.604 4.516) 5.337 12.082 ( 1.552 -3.437 1.518) 4.066 12.880 ( -0.057 0.217 0.180) 0.287 12.902 ( -0.050 -0.018 -0.277) 0.282 12.945 ( -0.485 -0.219 0.439) 0.690 12.957 ( 0.058 -0.098 -0.936) 0.943 13.430 ( -0.255 0.952 -0.236) 1.014 13.466 ( 0.767 0.156 0.230) 0.816 13.479 ( -0.449 0.018 -1.439) 1.507 13.517 ( -0.175 -0.236 0.658) 0.721 23.808 ( -1.318 1.959 -0.666) 2.454 23.971 ( -2.331 2.833 -3.933) 5.378 24.347 ( -1.316 -4.043 0.042) 4.252 24.672 ( -0.218 -5.468 -6.463) 8.469 25.177 ( -0.442 -0.449 3.810) 3.862 25.380 ( 1.261 0.721 -1.976) 2.452 25.530 ( -3.361 6.836 -0.619) 7.643 25.721 ( -2.267 4.653 -2.632) 5.807 ======================= Grid point 159 (80/88) ======================= q-point: ( 0.43 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 4.115 2.749 -10.536) 11.640 1.311 ( -5.863 4.223 -4.896) 8.728 1.443 ( 9.894 8.444 -8.280) 15.419 1.573 ( -8.927 3.846 5.839) 11.339 1.690 ( 0.922 1.918 5.447) 5.848 1.772 ( -1.605 -0.021 -3.896) 4.213 1.862 ( -0.558 1.516 -0.912) 1.855 1.906 ( -3.059 1.153 -5.662) 6.538 2.174 ( 0.523 1.499 2.362) 2.845 2.188 ( 2.383 -0.195 -1.771) 2.976 2.349 ( 6.818 3.239 -8.635) 11.469 2.355 ( -0.635 1.097 0.252) 1.292 2.679 ( -2.039 1.860 0.206) 2.768 2.706 ( -3.344 3.113 0.887) 4.654 2.830 ( 2.884 -0.170 -2.391) 3.750 2.876 ( -2.856 -0.940 2.109) 3.672 2.981 ( 0.160 4.510 -0.984) 4.619 3.004 ( -2.828 3.909 0.650) 4.869 3.302 ( 2.895 -2.736 0.848) 4.072 3.363 ( -2.126 -2.944 1.413) 3.897 3.618 ( 0.822 -1.247 2.739) 3.120 3.653 ( -0.757 0.215 -1.589) 1.773 3.758 ( 5.044 1.476 5.167) 7.370 3.862 ( -2.199 2.179 -3.499) 4.672 3.947 ( 3.768 1.179 4.350) 5.875 3.977 ( 2.518 2.529 2.097) 4.140 4.199 ( 3.810 -2.225 4.649) 6.409 4.373 ( -0.020 -1.789 0.918) 2.011 4.395 ( 0.301 -1.029 -3.660) 3.814 4.523 ( -3.052 -1.481 -1.976) 3.926 4.587 ( 2.748 -2.632 2.716) 4.676 4.622 ( 3.006 0.174 1.489) 3.359 4.665 ( -4.016 -2.609 -2.941) 5.620 4.715 ( -4.116 -0.007 -1.241) 4.299 4.938 ( 0.449 -5.095 2.368) 5.636 5.002 ( -3.291 -3.775 -3.175) 5.930 5.759 ( -0.193 3.435 1.975) 3.967 5.775 ( 0.436 3.732 -2.371) 4.443 6.278 ( 1.349 -1.292 -0.284) 1.890 6.325 ( -2.934 -1.897 -1.001) 3.634 7.362 ( 0.948 4.241 -0.748) 4.410 7.385 ( -1.517 3.954 -0.449) 4.259 8.016 ( -0.121 -7.638 1.108) 7.719 8.031 ( -0.449 -7.301 -1.143) 7.404 8.186 ( 1.410 0.666 0.214) 1.574 8.202 ( -0.608 0.374 0.603) 0.934 8.255 ( 0.865 -0.831 0.448) 1.280 8.264 ( -0.297 -0.343 1.049) 1.143 10.448 ( -0.408 1.958 2.509) 3.209 10.461 ( 0.757 2.307 -2.725) 3.649 10.862 ( 1.332 0.218 -0.217) 1.367 10.875 ( -0.343 0.553 0.492) 0.816 11.696 ( 0.166 2.147 2.338) 3.178 11.732 ( -1.344 2.344 -1.945) 3.330 12.028 ( 1.172 -3.237 4.022) 5.294 12.081 ( -1.089 -3.877 -1.839) 4.428 12.887 ( 0.326 0.175 0.505) 0.625 12.897 ( -0.174 0.068 -0.405) 0.446 12.941 ( -0.310 -0.213 0.561) 0.675 12.946 ( -0.112 -0.122 -0.917) 0.932 13.430 ( 0.236 0.881 0.454) 1.019 13.448 ( -0.722 0.638 -1.243) 1.573 13.494 ( 1.102 -0.309 0.370) 1.203 13.513 ( -0.648 -0.393 0.076) 0.761 23.799 ( 0.469 1.455 1.163) 1.921 23.858 ( -3.184 1.358 -4.262) 5.491 24.433 ( 5.100 -1.425 5.413) 7.573 24.578 ( -3.165 -3.141 -7.058) 8.348 25.224 ( 0.930 -1.533 5.280) 5.576 25.311 ( -2.317 -1.918 -6.255) 6.941 25.552 ( 1.580 7.593 5.165) 9.318 25.640 ( -2.384 5.648 -4.759) 7.761 ======================= Grid point 163 (81/88) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 12.705 6.035 -10.805) 17.736 1.510 ( -12.705 6.035 10.805) 17.736 1.615 ( -0.305 7.255 -8.908) 11.492 1.615 ( 0.305 7.255 8.908) 11.492 1.773 ( 6.437 -5.725 -5.720) 10.341 1.773 ( -6.437 -5.725 5.720) 10.341 1.900 ( -0.133 -6.516 -2.289) 6.908 1.900 ( 0.133 -6.516 2.289) 6.908 2.155 ( -0.429 -2.120 -2.586) 3.371 2.155 ( 0.429 -2.120 2.586) 3.371 2.451 ( -1.541 -1.055 -3.473) 3.943 2.451 ( 1.541 -1.055 3.473) 3.943 2.856 ( -0.525 2.471 -1.584) 2.982 2.856 ( 0.525 2.471 1.584) 2.982 3.005 ( 0.900 2.442 -1.811) 3.170 3.005 ( -0.900 2.442 1.811) 3.170 3.115 ( 0.020 8.964 -0.233) 8.967 3.115 ( -0.020 8.964 0.233) 8.967 3.253 ( -2.339 2.354 -6.108) 6.951 3.253 ( 2.339 2.354 6.108) 6.951 3.456 ( -3.887 0.705 -3.306) 5.151 3.456 ( 3.887 0.705 3.306) 5.151 3.672 ( 1.042 -0.271 -0.946) 1.433 3.672 ( -1.042 -0.271 0.946) 1.433 3.906 ( -2.878 -0.568 -2.284) 3.718 3.906 ( 2.878 -0.568 2.284) 3.718 4.136 ( -2.139 -0.875 -0.693) 2.413 4.136 ( 2.139 -0.875 0.693) 2.413 4.300 ( -1.301 -6.957 -2.507) 7.508 4.300 ( 1.301 -6.957 2.507) 7.508 4.616 ( -0.717 3.666 -2.070) 4.271 4.616 ( 0.717 3.666 2.070) 4.271 4.865 ( -2.233 0.449 -2.539) 3.410 4.865 ( 2.233 0.449 2.539) 3.410 5.013 ( 0.349 -1.045 -3.532) 3.700 5.013 ( -0.349 -1.045 3.532) 3.700 5.859 ( 1.477 4.656 -3.221) 5.851 5.859 ( -1.477 4.656 3.221) 5.851 6.377 ( 0.163 -7.623 -2.225) 7.943 6.377 ( -0.163 -7.623 2.225) 7.943 7.524 ( -0.103 6.308 -1.350) 6.451 7.524 ( 0.103 6.308 1.350) 6.451 7.869 ( -1.100 -9.680 0.275) 9.746 7.869 ( 1.100 -9.680 -0.275) 9.746 8.104 ( -1.103 -0.734 -1.889) 2.307 8.104 ( 1.103 -0.734 1.889) 2.307 8.185 ( -0.200 -1.584 -0.879) 1.823 8.185 ( 0.200 -1.584 0.879) 1.823 10.525 ( 1.012 3.717 -2.329) 4.502 10.525 ( -1.012 3.717 2.329) 4.502 10.821 ( 0.100 -0.661 -1.763) 1.886 10.821 ( -0.100 -0.661 1.763) 1.886 11.797 ( -1.362 -0.159 -1.462) 2.004 11.797 ( 1.362 -0.159 1.462) 2.004 11.913 ( -1.213 0.533 -2.223) 2.588 11.913 ( 1.213 0.533 2.223) 2.588 12.900 ( -0.213 0.050 -0.128) 0.253 12.900 ( 0.213 0.050 0.128) 0.253 12.952 ( 0.357 -0.079 -0.405) 0.546 12.952 ( -0.357 -0.079 0.405) 0.546 13.463 ( 0.335 1.169 -0.992) 1.569 13.463 ( -0.335 1.169 0.992) 1.569 13.504 ( 0.404 -0.536 -1.313) 1.475 13.504 ( -0.404 -0.536 1.313) 1.475 24.020 ( -4.263 7.432 -0.239) 8.571 24.020 ( 4.263 7.432 0.239) 8.571 24.416 ( -6.030 -12.312 0.327) 13.713 24.416 ( 6.030 -12.312 -0.327) 13.713 25.331 ( -0.056 3.610 -3.199) 4.824 25.331 ( 0.056 3.610 3.199) 4.824 25.796 ( -1.040 1.974 -3.214) 3.913 25.796 ( 1.040 1.974 3.214) 3.913 ======================= Grid point 165 (82/88) ======================= q-point: ( 0.14 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -6.978 6.213 4.793) 10.501 1.515 ( 2.671 8.182 -9.894) 13.114 1.652 ( -2.727 -2.205 1.852) 3.966 1.671 ( 7.748 6.275 -10.248) 14.298 1.762 ( 1.495 -2.470 2.250) 3.660 1.800 ( 2.198 -1.691 -0.250) 2.784 1.937 ( -0.263 -4.299 1.424) 4.537 1.962 ( 6.114 -4.659 -1.481) 7.828 2.078 ( -2.944 -1.081 -5.368) 6.217 2.151 ( 1.588 -3.399 -2.602) 4.565 2.357 ( -0.724 1.492 -8.907) 9.060 2.449 ( -0.175 -2.294 -6.072) 6.493 2.851 ( 0.666 4.501 -0.893) 4.637 2.886 ( -0.387 2.569 2.946) 3.929 2.951 ( -4.283 3.364 -0.057) 5.446 2.989 ( -2.679 1.831 -0.526) 3.288 3.086 ( 0.047 6.268 -0.493) 6.287 3.106 ( 0.050 8.283 -2.032) 8.529 3.224 ( 1.736 0.376 -0.919) 2.000 3.340 ( -2.749 0.099 -1.033) 2.938 3.411 ( 4.604 5.325 5.744) 9.085 3.547 ( 2.163 0.872 1.180) 2.614 3.698 ( 0.567 -4.837 -2.072) 5.293 3.709 ( 2.411 -3.839 5.092) 6.818 3.834 ( -1.504 5.333 3.148) 6.373 3.966 ( 1.450 1.964 -0.408) 2.475 4.107 ( -0.839 -3.360 1.544) 3.792 4.195 ( 1.754 2.126 2.655) 3.827 4.290 ( 2.151 -7.658 -0.713) 7.986 4.373 ( 2.536 -7.591 4.031) 8.961 4.587 ( 0.101 2.700 -1.584) 3.132 4.646 ( 0.788 3.327 -0.398) 3.442 4.773 ( -3.280 1.196 -3.793) 5.155 4.875 ( -2.164 0.326 -0.641) 2.280 4.970 ( -3.011 -0.687 0.063) 3.089 5.038 ( -0.890 -3.684 2.420) 4.497 5.843 ( -0.879 4.568 -0.484) 4.677 5.858 ( 0.241 3.589 -1.352) 3.842 6.321 ( -2.733 -5.402 -2.607) 6.592 6.369 ( -1.892 -6.647 0.223) 6.914 7.503 ( -0.427 7.151 -1.759) 7.377 7.530 ( -0.527 5.808 0.406) 5.846 7.851 ( -1.067 -9.735 0.464) 9.805 7.884 ( 0.747 -10.156 -0.982) 10.231 8.096 ( 1.168 0.534 0.608) 1.421 8.152 ( 1.382 -1.699 2.011) 2.973 8.185 ( 0.342 -0.948 1.142) 1.523 8.209 ( 0.572 -1.302 2.109) 2.543 10.505 ( -0.914 3.701 -0.301) 3.824 10.533 ( 0.309 3.070 -0.676) 3.158 10.815 ( 0.693 -0.183 -0.568) 0.914 10.846 ( 0.708 -0.668 1.606) 1.878 11.753 ( -1.860 1.861 0.407) 2.663 11.848 ( 1.475 -2.688 1.000) 3.225 11.872 ( -1.184 2.619 0.127) 2.877 11.969 ( 1.747 -2.018 2.097) 3.395 12.891 ( -0.471 0.265 -0.058) 0.544 12.902 ( -0.113 -0.203 0.022) 0.234 12.948 ( -0.159 0.086 -0.018) 0.181 12.956 ( 0.409 -0.197 -0.614) 0.763 13.461 ( 0.469 0.890 -0.857) 1.322 13.462 ( -0.483 1.248 0.433) 1.406 13.495 ( 0.022 -0.463 -1.348) 1.426 13.507 ( -0.349 -0.546 0.948) 1.149 23.937 ( -3.707 5.986 -0.924) 7.101 24.091 ( 2.495 7.348 -1.501) 7.904 24.287 ( -5.363 -9.951 -1.015) 11.349 24.501 ( 4.111 -11.349 -2.414) 12.310 25.262 ( -3.482 4.855 0.218) 5.978 25.377 ( 1.251 0.241 -0.751) 1.479 25.726 ( -3.193 4.646 -1.293) 5.784 25.823 ( -1.030 1.248 1.718) 2.360 ======================= Grid point 166 (83/88) ======================= q-point: ( 0.29 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 0.427 5.542 -2.765) 6.208 1.525 ( 5.466 8.292 -6.745) 12.005 1.563 ( -2.926 -2.143 -7.618) 8.437 1.659 ( 0.676 4.947 -4.727) 6.876 1.767 ( 0.779 -4.156 -2.361) 4.843 1.822 ( -5.965 2.357 -3.909) 7.511 1.893 ( 0.993 2.264 3.234) 4.070 1.984 ( -0.430 -3.998 -5.053) 6.458 2.095 ( 5.300 -0.689 0.740) 5.395 2.186 ( -0.941 -3.662 0.876) 3.881 2.320 ( 8.781 3.875 -9.639) 13.603 2.392 ( 1.418 0.091 -5.715) 5.889 2.828 ( -3.640 4.748 -1.843) 6.260 2.854 ( -3.162 5.039 -0.988) 6.030 2.887 ( -3.846 0.450 1.647) 4.208 2.907 ( -3.362 3.296 2.124) 5.165 3.091 ( 0.202 6.489 -0.431) 6.507 3.103 ( -0.001 2.226 -2.101) 3.061 3.257 ( -0.563 -0.966 -0.331) 1.166 3.289 ( -0.135 -1.876 1.270) 2.270 3.548 ( 1.701 -1.199 -0.591) 2.164 3.603 ( 6.433 4.066 7.130) 10.429 3.668 ( -0.411 -3.065 -1.672) 3.516 3.832 ( 3.022 -6.005 6.254) 9.181 3.908 ( 4.197 7.223 4.742) 9.606 3.977 ( 1.236 5.376 -1.244) 5.655 4.115 ( 0.067 -1.796 0.250) 1.815 4.249 ( 1.440 -0.214 3.825) 4.093 4.358 ( 3.688 -6.740 0.495) 7.699 4.448 ( 1.333 -6.711 3.624) 7.743 4.582 ( 0.106 1.017 -1.708) 1.991 4.626 ( -1.515 2.442 -1.899) 3.444 4.693 ( -1.110 0.499 -4.047) 4.226 4.802 ( -3.652 0.034 -1.355) 3.895 4.896 ( -4.753 -1.146 0.905) 4.973 4.999 ( -4.001 -5.977 -0.880) 7.247 5.826 ( -0.528 3.965 0.466) 4.027 5.851 ( 1.034 2.875 -2.676) 4.062 6.257 ( -1.316 -1.985 -1.448) 2.787 6.324 ( -2.586 -4.556 -0.004) 5.239 7.482 ( 0.116 7.612 -1.843) 7.833 7.514 ( -1.226 6.086 0.081) 6.209 7.838 ( -0.768 -9.907 0.735) 9.964 7.877 ( -0.088 -10.305 -1.646) 10.436 8.147 ( 2.400 0.576 1.571) 2.926 8.186 ( 0.860 -1.060 1.083) 1.742 8.213 ( 0.628 -0.390 2.068) 2.196 8.240 ( 0.083 -0.907 2.775) 2.920 10.490 ( -0.425 3.020 0.058) 3.051 10.524 ( -0.301 2.201 -1.118) 2.487 10.836 ( 1.610 0.344 -0.019) 1.646 10.872 ( 0.376 -0.361 1.457) 1.548 11.737 ( -0.441 3.133 0.980) 3.312 11.831 ( -1.526 2.662 -0.541) 3.115 11.903 ( 1.097 -3.208 2.605) 4.275 12.004 ( -0.012 -4.355 1.199) 4.517 12.886 ( -0.088 0.329 0.219) 0.405 12.899 ( -0.157 -0.271 0.071) 0.322 12.944 ( -0.207 0.132 -0.244) 0.346 12.953 ( 0.026 -0.227 -0.852) 0.882 13.454 ( -0.510 1.367 0.240) 1.479 13.469 ( 0.870 0.192 -0.379) 0.968 13.480 ( -0.209 0.061 -1.414) 1.431 13.507 ( -0.355 -0.750 0.533) 0.986 23.867 ( -2.496 4.120 -0.846) 4.891 24.011 ( -5.385 0.017 -5.218) 7.498 24.294 ( 4.147 0.195 2.190) 4.694 24.530 ( 1.763 -8.463 -3.557) 9.348 25.217 ( -1.830 3.648 1.541) 4.362 25.355 ( -1.557 -2.483 -3.206) 4.344 25.676 ( -1.856 6.998 1.742) 7.446 25.793 ( -2.395 1.893 -0.439) 3.084 ======================= Grid point 167 (84/88) ======================= q-point: ( 0.43 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 2.794 5.526 -4.210) 7.488 1.401 ( -4.225 4.091 -6.077) 8.457 1.604 ( 6.295 6.940 -5.964) 11.107 1.646 ( -3.022 3.192 4.751) 6.473 1.724 ( -1.413 1.376 2.503) 3.186 1.757 ( 0.267 -1.854 -4.209) 4.607 1.896 ( -0.862 0.887 -1.253) 1.760 1.909 ( -1.722 0.026 -3.261) 3.688 2.188 ( 2.684 0.413 1.160) 2.953 2.197 ( 1.661 0.491 1.779) 2.483 2.391 ( 1.162 2.038 -1.215) 2.642 2.405 ( 3.178 1.781 -4.261) 5.606 2.741 ( -0.657 4.273 -1.025) 4.443 2.785 ( -4.418 4.062 0.619) 6.033 2.847 ( 0.863 1.481 -1.092) 2.032 2.878 ( -2.821 0.838 1.471) 3.290 3.068 ( 0.099 3.712 -2.462) 4.455 3.080 ( -2.225 5.051 1.591) 5.744 3.244 ( 1.715 -3.450 -1.193) 4.033 3.284 ( -2.378 -4.747 0.841) 5.375 3.593 ( 2.124 -0.944 2.222) 3.215 3.642 ( -0.694 -1.665 -2.206) 2.850 3.795 ( 5.442 2.197 4.596) 7.454 3.878 ( -1.536 -0.891 0.644) 1.889 4.009 ( 2.165 5.434 1.258) 5.983 4.045 ( 1.311 3.947 1.316) 4.362 4.142 ( 5.839 -2.692 3.559) 7.348 4.308 ( -1.631 -6.261 -2.137) 6.814 4.380 ( 0.834 0.481 3.469) 3.600 4.503 ( -2.869 -0.122 -4.874) 5.657 4.518 ( 1.161 -3.780 3.096) 5.022 4.591 ( -1.095 -3.093 -3.198) 4.582 4.663 ( 1.220 2.134 0.080) 2.459 4.723 ( -3.296 0.609 -1.363) 3.618 4.849 ( -0.725 -3.439 2.255) 4.176 4.902 ( -3.316 -5.592 -2.704) 7.041 5.833 ( -0.064 3.501 1.634) 3.864 5.845 ( 0.757 2.992 -2.465) 3.950 6.248 ( 0.864 -1.418 -0.079) 1.662 6.278 ( -2.078 -2.672 -0.061) 3.386 7.476 ( 0.895 7.434 -1.278) 7.596 7.491 ( -1.348 6.791 0.482) 6.940 7.839 ( -0.067 -10.016 1.200) 10.088 7.856 ( -0.387 -10.215 -1.610) 10.348 8.194 ( 1.427 0.355 0.170) 1.480 8.204 ( -0.011 0.004 0.797) 0.797 8.241 ( 0.776 -0.476 1.000) 1.352 8.255 ( -0.630 -0.699 1.308) 1.612 10.491 ( 0.138 2.184 0.705) 2.299 10.506 ( -0.443 1.825 -1.120) 2.187 10.867 ( 1.476 0.365 -0.133) 1.526 10.883 ( -0.509 0.033 0.834) 0.978 11.754 ( 1.114 3.739 1.080) 4.048 11.793 ( -1.837 3.674 -0.738) 4.173 11.948 ( 1.288 -4.621 2.182) 5.271 11.990 ( -1.371 -5.077 -0.819) 5.323 12.891 ( 0.228 0.205 0.409) 0.511 12.897 ( -0.113 -0.063 -0.090) 0.158 12.938 ( -0.143 0.004 0.095) 0.171 12.943 ( -0.165 -0.162 -0.767) 0.801 13.452 ( -0.124 1.218 0.677) 1.399 13.462 ( -0.243 0.738 -1.154) 1.391 13.486 ( 0.977 -0.424 -0.099) 1.069 13.501 ( -0.627 -0.791 0.133) 1.018 23.838 ( -0.246 2.323 0.762) 2.458 23.883 ( -3.003 0.775 -3.573) 4.731 24.409 ( 4.104 -0.531 3.762) 5.592 24.500 ( -1.234 -4.426 -4.159) 6.198 25.224 ( 0.441 1.206 2.783) 3.065 25.281 ( -2.121 -1.291 -3.697) 4.454 25.686 ( 0.378 5.653 2.998) 6.410 25.736 ( -1.970 3.423 -2.313) 4.578 ======================= Grid point 171 (85/88) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 0.000 -0.000 -0.000) 0.000 1.609 ( 0.000 0.000 -0.000) 0.000 1.662 ( -0.000 -0.000 0.000) 0.000 1.662 ( -0.000 0.000 0.000) 0.000 1.763 ( 0.000 -0.000 -0.000) 0.000 1.763 ( -0.000 0.000 0.000) 0.000 1.773 ( -0.000 -0.000 -0.000) 0.000 1.773 ( 0.000 0.000 0.000) 0.000 2.135 ( -0.000 0.000 0.000) 0.000 2.135 ( -0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 -0.000) 0.000 2.437 ( -0.000 0.000 0.000) 0.000 2.880 ( -0.000 0.000 0.000) 0.000 2.880 ( -0.000 0.000 0.000) 0.000 3.025 ( -0.000 0.000 0.000) 0.000 3.025 ( -0.000 0.000 0.000) 0.000 3.248 ( 0.000 -0.000 0.000) 0.000 3.248 ( 0.000 -0.000 0.000) 0.000 3.254 ( -0.000 0.000 -0.000) 0.000 3.254 ( -0.000 0.000 -0.000) 0.000 3.476 ( 0.000 -0.000 -0.000) 0.000 3.476 ( -0.000 0.000 0.000) 0.000 3.636 ( -0.000 0.000 0.000) 0.000 3.636 ( -0.000 0.000 0.000) 0.000 3.927 ( -0.000 0.000 0.000) 0.000 3.927 ( 0.000 0.000 0.000) 0.000 4.128 ( 0.000 0.000 0.000) 0.000 4.128 ( -0.000 0.000 0.000) 0.000 4.215 ( 0.000 -0.000 0.000) 0.000 4.215 ( -0.000 0.000 0.000) 0.000 4.665 ( -0.000 -0.000 0.000) 0.000 4.665 ( 0.000 0.000 0.000) 0.000 4.861 ( -0.000 0.000 0.000) 0.000 4.861 ( -0.000 0.000 0.000) 0.000 4.998 ( -0.000 0.000 0.000) 0.000 4.998 ( -0.000 0.000 0.000) 0.000 5.916 ( 0.000 0.000 0.000) 0.000 5.916 ( 0.000 0.000 0.000) 0.000 6.287 ( 0.000 0.000 0.000) 0.000 6.287 ( -0.000 0.000 0.000) 0.000 7.648 ( -0.000 0.000 0.000) 0.000 7.648 ( -0.000 0.000 0.000) 0.000 7.710 ( 0.000 -0.000 0.000) 0.000 7.710 ( 0.000 0.000 0.000) 0.000 8.100 ( -0.000 -0.000 0.000) 0.000 8.100 ( -0.000 0.000 0.000) 0.000 8.165 ( 0.000 0.000 0.000) 0.000 8.165 ( 0.000 0.000 0.000) 0.000 10.566 ( -0.000 0.000 0.000) 0.000 10.566 ( -0.000 0.000 0.000) 0.000 10.811 ( -0.000 -0.000 0.000) 0.000 10.811 ( -0.000 0.000 0.000) 0.000 11.796 ( -0.000 0.000 0.000) 0.000 11.796 ( -0.000 0.000 0.000) 0.000 11.918 ( -0.000 0.000 0.000) 0.000 11.918 ( 0.000 0.000 0.000) 0.000 12.901 ( -0.000 0.000 0.000) 0.000 12.901 ( 0.000 0.000 0.000) 0.000 12.951 ( -0.000 0.000 0.000) 0.000 12.951 ( -0.000 0.000 0.000) 0.000 13.484 ( 0.000 -0.000 0.000) 0.000 13.484 ( -0.000 0.000 0.000) 0.000 13.490 ( -0.000 -0.000 0.000) 0.000 13.490 ( -0.000 0.000 0.000) 0.000 24.191 ( 0.000 -0.000 0.000) 0.000 24.191 ( -0.000 0.000 0.000) 0.000 24.197 ( -0.000 -0.000 0.000) 0.000 24.197 ( 0.000 0.000 0.000) 0.000 25.368 ( -0.000 0.000 0.000) 0.000 25.368 ( -0.000 0.000 0.000) 0.000 25.814 ( -0.000 0.000 0.000) 0.000 25.814 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 175 (86/88) ======================= q-point: ( 0.14 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -5.485 -7.281 2.030) 9.339 1.513 ( -5.485 7.281 2.030) 9.339 1.667 ( 2.318 -5.981 -7.218) 9.656 1.667 ( 2.318 5.981 -7.218) 9.656 1.823 ( 5.885 -6.831 -4.718) 10.176 1.823 ( 5.885 6.831 -4.718) 10.176 1.861 ( 3.602 -3.926 4.745) 7.135 1.861 ( 3.602 3.926 4.745) 7.135 2.091 ( -1.566 -2.284 -2.519) 3.744 2.091 ( -1.566 2.284 -2.519) 3.744 2.398 ( 0.170 -2.656 -6.606) 7.122 2.398 ( 0.170 2.656 -6.606) 7.122 2.903 ( 0.962 -0.870 1.524) 2.001 2.903 ( 0.962 0.870 1.524) 2.001 2.992 ( -3.570 -1.089 -0.308) 3.745 2.992 ( -3.570 1.089 -0.308) 3.745 3.191 ( -0.442 -2.822 -1.079) 3.054 3.191 ( -0.442 2.822 -1.079) 3.054 3.279 ( -1.634 -6.675 -0.968) 6.940 3.279 ( -1.634 6.675 -0.968) 6.940 3.535 ( 4.485 -5.832 2.161) 7.668 3.535 ( 4.485 5.832 2.161) 7.668 3.624 ( -0.984 -3.312 0.982) 3.591 3.624 ( -0.984 3.312 0.982) 3.591 3.957 ( 1.905 -5.398 2.511) 6.250 3.957 ( 1.905 5.398 2.511) 6.250 4.130 ( 0.588 -7.370 -0.393) 7.404 4.130 ( 0.588 7.370 -0.393) 7.404 4.257 ( 2.222 -4.372 3.164) 5.836 4.257 ( 2.222 4.372 3.164) 5.836 4.650 ( 0.234 -2.882 -3.202) 4.314 4.650 ( 0.234 2.882 -3.202) 4.314 4.831 ( -2.613 -4.427 -0.882) 5.216 4.831 ( -2.613 4.427 -0.882) 5.216 4.979 ( -2.738 -1.750 1.092) 3.428 4.979 ( -2.738 1.750 1.092) 3.428 5.899 ( -0.418 -0.290 -2.129) 2.189 5.899 ( -0.418 0.290 -2.129) 2.189 6.275 ( -1.270 -1.630 0.356) 2.097 6.275 ( -1.270 1.630 0.356) 2.097 7.642 ( -0.529 -1.933 -0.166) 2.011 7.642 ( -0.529 1.933 -0.166) 2.011 7.706 ( -0.107 -2.826 -0.800) 2.939 7.706 ( -0.107 2.826 -0.800) 2.939 8.119 ( 1.286 -1.656 1.243) 2.438 8.119 ( 1.286 1.656 1.243) 2.438 8.184 ( 0.674 -0.904 2.193) 2.466 8.184 ( 0.674 0.904 2.193) 2.466 10.556 ( -0.692 -1.033 -0.590) 1.376 10.556 ( -0.692 1.033 -0.590) 1.376 10.825 ( 0.882 -1.161 0.799) 1.663 10.825 ( 0.882 1.161 0.799) 1.663 11.797 ( 0.070 -2.540 0.175) 2.547 11.797 ( 0.070 2.540 0.175) 2.547 11.923 ( -0.202 -2.588 1.182) 2.853 11.923 ( -0.202 2.588 1.182) 2.853 12.897 ( -0.338 -0.302 0.043) 0.456 12.897 ( -0.338 0.302 0.043) 0.456 12.952 ( 0.187 -0.219 -0.400) 0.493 12.952 ( 0.187 0.219 -0.400) 0.493 13.478 ( 0.122 -0.570 -1.121) 1.264 13.478 ( 0.122 0.570 -1.121) 1.264 13.491 ( -0.339 -0.818 0.654) 1.101 13.491 ( -0.339 0.818 0.654) 1.101 24.078 ( -5.559 -8.208 -1.968) 10.107 24.078 ( -5.559 8.208 -1.968) 10.107 24.291 ( 4.914 -9.843 -0.428) 11.010 24.291 ( 4.914 9.843 -0.428) 11.010 25.344 ( -1.804 -3.336 -1.037) 3.932 25.344 ( -1.804 3.336 -1.037) 3.932 25.804 ( -1.548 -2.933 1.071) 3.485 25.804 ( -1.548 2.933 1.071) 3.485 ======================= Grid point 177 (87/88) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -1.117 -6.763 -2.176) 7.192 1.456 ( -1.117 6.763 -2.176) 7.192 1.667 ( 3.656 -6.195 -4.949) 8.731 1.667 ( 3.656 6.195 -4.949) 8.731 1.789 ( -1.415 -6.194 -8.219) 10.389 1.789 ( -1.415 6.194 -8.219) 10.389 1.934 ( 0.046 -1.796 2.171) 2.818 1.934 ( 0.046 1.796 2.171) 2.818 2.110 ( 2.724 -2.874 1.799) 4.350 2.110 ( 2.724 2.874 1.799) 4.350 2.377 ( 4.688 -1.918 -5.921) 7.791 2.377 ( 4.688 1.918 -5.921) 7.791 2.888 ( -4.924 -0.857 -0.453) 5.019 2.888 ( -4.924 0.857 -0.453) 5.019 2.922 ( -2.231 -2.132 1.507) 3.434 2.922 ( -2.231 2.132 1.507) 3.434 3.185 ( -1.060 -3.080 -1.786) 3.715 3.185 ( -1.060 3.080 -1.786) 3.715 3.219 ( -1.109 -1.056 -1.370) 2.055 3.219 ( -1.109 1.056 -1.370) 2.055 3.586 ( 1.339 -4.740 -1.844) 5.259 3.586 ( 1.339 4.740 -1.844) 5.259 3.706 ( 4.484 -6.273 7.437) 10.712 3.706 ( 4.484 6.273 7.437) 10.712 4.030 ( 3.233 -4.267 1.346) 5.521 4.030 ( 3.233 4.268 1.346) 5.521 4.146 ( 0.941 -8.174 0.461) 8.240 4.146 ( 0.941 8.174 0.461) 8.240 4.337 ( 2.357 -4.009 4.135) 6.223 4.337 ( 2.357 4.009 4.135) 6.223 4.616 ( -0.197 -2.294 -4.798) 5.322 4.616 ( -0.197 2.294 -4.798) 5.322 4.759 ( -3.220 -4.486 -1.288) 5.670 4.759 ( -3.220 4.486 -1.288) 5.670 4.910 ( -4.908 -2.566 0.238) 5.543 4.910 ( -4.908 2.566 0.238) 5.543 5.877 ( 0.366 -0.645 -2.025) 2.156 5.877 ( 0.366 0.645 -2.025) 2.156 6.253 ( -1.321 -1.999 0.587) 2.467 6.253 ( -1.321 1.999 0.587) 2.467 7.628 ( -0.553 -2.675 -0.264) 2.744 7.628 ( -0.553 2.675 -0.264) 2.744 7.693 ( -0.280 -3.638 -1.042) 3.795 7.693 ( -0.280 3.638 -1.042) 3.795 8.164 ( 1.815 -1.091 1.379) 2.527 8.164 ( 1.815 1.091 1.379) 2.527 8.220 ( 0.291 -0.947 2.866) 3.033 8.220 ( 0.291 0.947 2.866) 3.033 10.535 ( -0.763 -1.191 -0.651) 1.557 10.535 ( -0.763 1.191 -0.651) 1.557 10.853 ( 1.067 -1.288 0.996) 1.946 10.853 ( 1.067 1.288 0.996) 1.946 11.806 ( 0.713 -3.792 0.424) 3.882 11.806 ( 0.713 3.792 0.424) 3.882 11.922 ( -1.194 -3.855 1.182) 4.206 11.922 ( -1.194 3.855 1.182) 4.206 12.893 ( -0.149 -0.368 0.226) 0.457 12.893 ( -0.149 0.368 0.226) 0.457 12.948 ( -0.039 -0.284 -0.669) 0.728 12.948 ( -0.039 0.284 -0.669) 0.728 13.471 ( 0.105 -0.230 -0.600) 0.651 13.471 ( 0.105 0.230 -0.600) 0.651 13.489 ( -0.239 -1.035 0.021) 1.062 13.489 ( -0.239 1.035 0.021) 1.062 23.957 ( -4.457 -4.641 -2.632) 6.952 23.957 ( -4.457 4.641 -2.632) 6.952 24.373 ( 3.974 -7.036 -0.284) 8.086 24.373 ( 3.974 7.036 -0.284) 8.086 25.293 ( -2.130 -3.808 -1.187) 4.522 25.293 ( -2.130 3.808 -1.187) 4.522 25.779 ( -1.986 -3.309 1.072) 4.006 25.779 ( -1.986 3.309 1.072) 4.006 ======================= Grid point 179 (88/88) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -0.196 -2.872 -2.663) 3.922 1.417 ( -0.196 2.872 -2.663) 3.922 1.693 ( 1.864 -3.684 -2.361) 4.757 1.693 ( 1.864 3.684 -2.361) 4.757 1.717 ( -0.452 -2.880 -1.963) 3.515 1.717 ( -0.452 2.880 -1.963) 3.515 1.907 ( -1.641 -0.885 -0.787) 2.024 1.907 ( -1.641 0.885 -0.787) 2.024 2.197 ( 3.349 -0.387 2.234) 4.045 2.197 ( 3.349 0.387 2.234) 4.045 2.415 ( 1.316 -0.458 -2.068) 2.494 2.415 ( 1.316 0.458 -2.068) 2.494 2.810 ( -1.179 -1.758 -1.031) 2.355 2.810 ( -1.179 1.758 -1.031) 2.355 2.878 ( -3.117 -1.310 1.296) 3.621 2.878 ( -3.117 1.310 1.296) 3.621 3.154 ( 1.151 -5.317 -2.172) 5.857 3.154 ( 1.151 5.317 -2.172) 5.857 3.189 ( -2.349 -5.441 0.475) 5.946 3.189 ( -2.349 5.441 0.475) 5.946 3.600 ( 0.907 -1.829 -0.462) 2.093 3.600 ( 0.907 1.829 -0.462) 2.093 3.841 ( 2.556 -2.452 3.816) 5.206 3.841 ( 2.556 2.452 3.816) 5.206 4.100 ( 3.678 -2.054 0.052) 4.213 4.100 ( 3.678 2.054 0.052) 4.213 4.155 ( -1.232 -8.023 0.219) 8.120 4.155 ( -1.232 8.023 0.219) 8.120 4.426 ( 2.949 -3.849 4.629) 6.704 4.426 ( 2.949 3.849 4.629) 6.704 4.538 ( -2.979 -2.205 -5.294) 6.462 4.538 ( -2.979 2.205 -5.294) 6.462 4.712 ( -0.793 -2.231 -0.231) 2.380 4.712 ( -0.793 2.231 -0.231) 2.380 4.826 ( -2.736 -1.547 -0.432) 3.172 4.826 ( -2.736 1.547 -0.432) 3.172 5.874 ( 0.403 -0.347 -0.711) 0.888 5.874 ( 0.403 0.347 -0.711) 0.888 6.239 ( -0.499 -0.858 0.321) 1.043 6.239 ( -0.499 0.858 0.321) 1.043 7.619 ( -0.203 -1.301 -0.130) 1.323 7.619 ( -0.203 1.301 -0.130) 1.323 7.680 ( -0.168 -1.708 -0.460) 1.777 7.680 ( -0.168 1.708 -0.460) 1.777 8.202 ( 0.954 -0.329 0.456) 1.107 8.202 ( 0.954 0.329 0.456) 1.107 8.241 ( -0.138 -0.503 1.393) 1.488 8.241 ( -0.138 0.503 1.393) 1.488 10.519 ( -0.308 -0.505 -0.264) 0.648 10.519 ( -0.308 0.505 -0.264) 0.648 10.876 ( 0.474 -0.531 0.453) 0.844 10.876 ( 0.474 0.531 0.453) 0.844 11.829 ( 0.990 -2.848 0.320) 3.032 11.829 ( 0.990 2.848 0.320) 3.032 11.902 ( -1.329 -2.854 0.345) 3.167 11.902 ( -1.329 2.854 0.345) 3.167 12.895 ( 0.054 -0.169 0.225) 0.286 12.895 ( 0.054 0.169 0.225) 0.286 12.940 ( -0.136 -0.145 -0.422) 0.466 12.940 ( -0.136 0.145 -0.422) 0.466 13.470 ( 0.025 -0.387 -0.028) 0.389 13.470 ( 0.025 0.387 -0.028) 0.389 13.485 ( -0.035 -0.684 -0.222) 0.720 13.485 ( -0.035 0.684 -0.222) 0.720 23.877 ( -1.692 -1.389 -1.212) 2.502 23.877 ( -1.692 1.389 -1.212) 2.502 24.427 ( 1.598 -2.565 -0.043) 3.023 24.427 ( 1.598 2.565 -0.043) 3.023 25.254 ( -0.890 -1.584 -0.492) 1.882 25.254 ( -0.890 1.584 -0.492) 1.882 25.756 ( -0.906 -1.380 0.391) 1.697 25.756 ( -0.906 1.380 0.391) 1.697 =================== 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 3/18144 10.0 224.199 172.343 230.627 0.000 -44.513 0.000 3/18144 20.0 33.327 26.124 39.174 0.000 -1.737 0.000 3/18144 30.0 12.592 9.960 15.531 0.000 -0.233 0.000 3/18144 40.0 7.032 5.654 8.810 0.000 -0.019 0.000 3/18144 50.0 4.757 3.897 5.994 0.000 0.030 0.000 3/18144 60.0 3.576 2.980 4.515 0.000 0.043 0.000 3/18144 70.0 2.865 2.423 3.619 0.000 0.046 0.000 3/18144 80.0 2.392 2.049 3.022 0.000 0.044 0.000 3/18144 90.0 2.055 1.780 2.597 0.000 0.042 0.000 3/18144 100.0 1.803 1.576 2.279 0.000 0.039 0.000 3/18144 110.0 1.607 1.416 2.031 0.000 0.036 0.000 3/18144 120.0 1.451 1.287 1.834 0.000 0.033 0.000 3/18144 130.0 1.323 1.181 1.672 0.000 0.031 0.000 3/18144 140.0 1.216 1.091 1.538 0.000 0.029 0.000 3/18144 150.0 1.126 1.015 1.424 0.000 0.027 0.000 3/18144 160.0 1.048 0.948 1.326 0.000 0.026 0.000 3/18144 170.0 0.981 0.891 1.241 0.000 0.024 0.000 3/18144 180.0 0.922 0.840 1.166 0.000 0.023 0.000 3/18144 190.0 0.870 0.795 1.101 0.000 0.021 0.000 3/18144 200.0 0.824 0.754 1.042 0.000 0.020 0.000 3/18144 210.0 0.782 0.718 0.990 0.000 0.019 0.000 3/18144 220.0 0.745 0.685 0.943 0.000 0.018 0.000 3/18144 230.0 0.711 0.655 0.900 0.000 0.017 0.000 3/18144 240.0 0.681 0.628 0.861 0.000 0.017 0.000 3/18144 250.0 0.652 0.603 0.825 0.000 0.016 0.000 3/18144 260.0 0.627 0.580 0.793 0.000 0.015 0.000 3/18144 270.0 0.603 0.559 0.762 0.000 0.014 0.000 3/18144 280.0 0.581 0.539 0.735 0.000 0.014 0.000 3/18144 290.0 0.560 0.521 0.709 0.000 0.013 0.000 3/18144 300.0 0.541 0.504 0.685 0.000 0.013 0.000 3/18144 310.0 0.524 0.488 0.662 0.000 0.012 0.000 3/18144 320.0 0.507 0.473 0.641 0.000 0.012 0.000 3/18144 330.0 0.492 0.459 0.622 0.000 0.011 0.000 3/18144 340.0 0.477 0.446 0.603 0.000 0.011 0.000 3/18144 350.0 0.464 0.434 0.586 0.000 0.011 0.000 3/18144 360.0 0.451 0.422 0.570 0.000 0.010 0.000 3/18144 370.0 0.439 0.411 0.554 0.000 0.010 0.000 3/18144 380.0 0.427 0.400 0.540 0.000 0.010 0.000 3/18144 390.0 0.416 0.390 0.526 0.000 0.009 0.000 3/18144 400.0 0.406 0.381 0.513 0.000 0.009 0.000 3/18144 410.0 0.396 0.372 0.500 0.000 0.009 0.000 3/18144 420.0 0.387 0.364 0.488 0.000 0.009 0.000 3/18144 430.0 0.378 0.355 0.477 0.000 0.008 0.000 3/18144 440.0 0.369 0.348 0.466 0.000 0.008 0.000 3/18144 450.0 0.361 0.340 0.456 0.000 0.008 0.000 3/18144 460.0 0.353 0.333 0.446 0.000 0.008 0.000 3/18144 470.0 0.346 0.326 0.437 0.000 0.007 0.000 3/18144 480.0 0.339 0.320 0.428 0.000 0.007 0.000 3/18144 490.0 0.332 0.314 0.419 0.000 0.007 0.000 3/18144 500.0 0.326 0.308 0.411 0.000 0.007 0.000 3/18144 510.0 0.319 0.302 0.403 0.000 0.007 0.000 3/18144 520.0 0.313 0.296 0.395 0.000 0.007 0.000 3/18144 530.0 0.307 0.291 0.388 0.000 0.007 0.000 3/18144 540.0 0.302 0.286 0.381 0.000 0.006 0.000 3/18144 550.0 0.297 0.281 0.374 0.000 0.006 0.000 3/18144 560.0 0.291 0.276 0.367 0.000 0.006 0.000 3/18144 570.0 0.286 0.272 0.361 0.000 0.006 0.000 3/18144 580.0 0.281 0.267 0.355 0.000 0.006 0.000 3/18144 590.0 0.277 0.263 0.349 0.000 0.006 0.000 3/18144 600.0 0.272 0.259 0.343 0.000 0.006 0.000 3/18144 610.0 0.268 0.255 0.337 0.000 0.006 0.000 3/18144 620.0 0.264 0.251 0.332 0.000 0.005 0.000 3/18144 630.0 0.260 0.247 0.327 0.000 0.005 0.000 3/18144 640.0 0.256 0.243 0.322 0.000 0.005 0.000 3/18144 650.0 0.252 0.240 0.317 0.000 0.005 0.000 3/18144 660.0 0.248 0.236 0.312 0.000 0.005 0.000 3/18144 670.0 0.244 0.233 0.308 0.000 0.005 0.000 3/18144 680.0 0.241 0.230 0.303 0.000 0.005 0.000 3/18144 690.0 0.238 0.227 0.299 0.000 0.005 0.000 3/18144 700.0 0.234 0.224 0.295 0.000 0.005 0.000 3/18144 710.0 0.231 0.221 0.291 0.000 0.005 0.000 3/18144 720.0 0.228 0.218 0.287 0.000 0.005 0.000 3/18144 730.0 0.225 0.215 0.283 0.000 0.005 0.000 3/18144 740.0 0.222 0.212 0.279 0.000 0.005 0.000 3/18144 750.0 0.219 0.209 0.275 0.000 0.004 0.000 3/18144 760.0 0.216 0.207 0.272 0.000 0.004 0.000 3/18144 770.0 0.213 0.204 0.268 0.000 0.004 0.000 3/18144 780.0 0.211 0.202 0.265 0.000 0.004 0.000 3/18144 790.0 0.208 0.199 0.262 0.000 0.004 0.000 3/18144 800.0 0.206 0.197 0.258 0.000 0.004 0.000 3/18144 810.0 0.203 0.195 0.255 0.000 0.004 0.000 3/18144 820.0 0.201 0.192 0.252 0.000 0.004 0.000 3/18144 830.0 0.198 0.190 0.249 0.000 0.004 0.000 3/18144 840.0 0.196 0.188 0.246 0.000 0.004 0.000 3/18144 850.0 0.194 0.186 0.244 0.000 0.004 0.000 3/18144 860.0 0.192 0.184 0.241 0.000 0.004 0.000 3/18144 870.0 0.189 0.182 0.238 0.000 0.004 0.000 3/18144 880.0 0.187 0.180 0.235 0.000 0.004 0.000 3/18144 890.0 0.185 0.178 0.233 0.000 0.004 0.000 3/18144 900.0 0.183 0.176 0.230 0.000 0.004 0.000 3/18144 910.0 0.181 0.174 0.228 0.000 0.004 0.000 3/18144 920.0 0.179 0.173 0.225 0.000 0.004 0.000 3/18144 930.0 0.178 0.171 0.223 0.000 0.004 0.000 3/18144 940.0 0.176 0.169 0.221 0.000 0.004 0.000 3/18144 950.0 0.174 0.168 0.218 0.000 0.004 0.000 3/18144 960.0 0.172 0.166 0.216 0.000 0.003 0.000 3/18144 970.0 0.170 0.164 0.214 0.000 0.003 0.000 3/18144 980.0 0.169 0.163 0.212 0.000 0.003 0.000 3/18144 990.0 0.167 0.161 0.210 0.000 0.003 0.000 3/18144 1000.0 0.165 0.160 0.208 0.000 0.003 0.000 3/18144 Thermal conductivity related properties were written into "kappa-m766.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:59:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|