----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:34:04]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.536079560529528 0.000000000000000 0.000000000000000 b 0.000000000000000 7.600402250000000 0.000000000000000 c -7.921530160868531 0.000000000000000 9.338727545801005 Atomic positions (fractional): *1 B 0.33600835713666 0.42646365998557 0.25484376430693 10.811 *2 B 0.47632123916540 0.81106646183498 0.91232233963536 10.811 3 B 0.52367876083460 0.31106646183498 0.58767766036464 10.811 4 B 0.52367876083460 0.18893353816502 0.08767766036464 10.811 5 B 0.47632123916540 0.68893353816502 0.41232233963536 10.811 *6 B 0.15103681816218 0.10371796252455 0.49096421106563 10.811 7 B 0.84896318183782 0.60371796252455 0.00903578893437 10.811 8 B 0.84896318183782 0.89628203747545 0.50903578893437 10.811 9 B 0.15103681816218 0.39628203747545 0.99096421106563 10.811 10 B 0.66399164286334 0.92646365998557 0.24515623569307 10.811 11 B 0.66399164286334 0.57353634001443 0.74515623569307 10.811 12 B 0.33600835713666 0.07353634001443 0.75484376430693 10.811 *13 B 0.91522285563757 0.67473001723520 0.39575362404522 10.811 14 B 0.08477714436243 0.17473001723520 0.10424637595478 10.811 15 B 0.08477714436243 0.32526998276480 0.60424637595478 10.811 16 B 0.91522285563757 0.82526998276480 0.89575362404522 10.811 *17 B 0.72015211810607 0.46916356245516 0.44342107792009 10.811 18 B 0.27984788189393 0.96916356245516 0.05657892207991 10.811 19 B 0.27984788189393 0.53083643754484 0.55657892207991 10.811 20 B 0.72015211810607 0.03083643754484 0.94342107792009 10.811 *21 O 0.81400986550751 0.79718955725246 0.27399301338034 15.999 *22 O 0.57948506857988 0.34976728521253 0.07021993815933 15.999 23 O 0.42051493142012 0.84976728521253 0.42978006184066 15.999 24 O 0.42051493142012 0.65023271478747 0.92978006184066 15.999 25 O 0.57948506857988 0.15023271478747 0.57021993815934 15.999 *26 O 0.88510707456743 0.55645868496586 0.12935125815645 15.999 27 O 0.11489292543257 0.05645868496586 0.37064874184355 15.999 28 O 0.11489292543257 0.44354131503415 0.87064874184355 15.999 29 O 0.18599013449249 0.29718955725246 0.22600698661966 15.999 30 O 0.88510707456743 0.94354131503414 0.62935125815645 15.999 31 O 0.81400986550751 0.70281044274754 0.77399301338034 15.999 32 O 0.18599013449249 0.20281044274754 0.72600698661966 15.999 *33 O 0.30592219973007 0.46733902023982 0.12291567274411 15.999 34 O 0.69407780026993 0.96733902023982 0.37708432725589 15.999 35 O 0.69407780026993 0.53266097976018 0.87708432725589 15.999 36 O 0.30592219973007 0.03266097976018 0.62291567274411 15.999 *37 O 0.31052012373949 0.59323614261847 0.30144388287402 15.999 38 O 0.68947987626051 0.09323614261847 0.19855611712598 15.999 39 O 0.68947987626051 0.40676385738153 0.69855611712598 15.999 40 O 0.31052012373949 0.90676385738153 0.80144388287402 15.999 *41 O 0.54216659467741 0.35196692372913 0.36214145055625 15.999 42 O 0.45783340532259 0.85196692372913 0.13785854944375 15.999 43 O 0.45783340532259 0.64803307627087 0.63785854944375 15.999 44 O 0.54216659467741 0.14803307627087 0.86214145055625 15.999 *45 O 0.76495708295773 0.52947006723545 0.34897006275507 15.999 46 O 0.23504291704227 0.02947006723545 0.15102993724493 15.999 47 O 0.23504291704227 0.47052993276455 0.65102993724493 15.999 48 O 0.76495708295773 0.97052993276455 0.84897006275507 15.999 *49 O 0.09636596467553 0.60652541562002 0.41955529339269 15.999 50 O 0.90363403532447 0.10652541562001 0.08044470660731 15.999 51 O 0.90363403532447 0.39347458437999 0.58044470660731 15.999 *52 O 0.67212939282970 0.87286441130768 0.99054966736337 15.999 *53 O 0.97643052693386 0.76696059319113 0.52276848981408 15.999 54 O 0.02356947306614 0.26696059319114 0.97723151018592 15.999 55 O 0.02356947306614 0.23303940680887 0.47723151018592 15.999 56 O 0.97643052693386 0.73303940680887 0.02276848981408 15.999 57 O 0.67212939282970 0.62713558869232 0.49054966736337 15.999 58 O 0.32787060717029 0.12713558869232 0.00945033263663 15.999 59 O 0.32787060717029 0.37286441130768 0.50945033263663 15.999 60 O 0.09636596467553 0.89347458437998 0.91955529339269 15.999 *61 Zn 0.52070838995055 0.58994975318898 0.12753010491111 65.380 62 Zn 0.47929161004945 0.08994975318898 0.37246989508889 65.380 63 Zn 0.47929161004945 0.41005024681102 0.87246989508890 65.380 64 Zn 0.52070838995055 0.91005024681102 0.62753010491110 65.380 *65 Tb 0.05637988631569 0.81843782385180 0.23982793187492 158.925 66 Tb 0.94362011368431 0.31843782385180 0.26017206812508 158.925 67 Tb 0.94362011368431 0.18156217614820 0.76017206812508 158.925 68 Tb 0.05637988631569 0.68156217614820 0.73982793187492 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.536079560529528 0.000000000000000 0.000000000000000 b 0.000000000000000 7.600402250000000 0.000000000000000 c -7.921530160868531 0.000000000000000 9.338727545801005 Atomic positions (fractional): *1 B 0.33600835713666 0.42646365998557 0.25484376430693 10.811 > 1 *2 B 0.47632123916540 0.81106646183498 0.91232233963536 10.811 > 2 3 B 0.52367876083460 0.31106646183498 0.58767766036464 10.811 > 3 4 B 0.52367876083460 0.18893353816502 0.08767766036464 10.811 > 4 5 B 0.47632123916540 0.68893353816502 0.41232233963536 10.811 > 5 *6 B 0.15103681816218 0.10371796252455 0.49096421106563 10.811 > 6 7 B 0.84896318183782 0.60371796252455 0.00903578893437 10.811 > 7 8 B 0.84896318183782 0.89628203747545 0.50903578893437 10.811 > 8 9 B 0.15103681816218 0.39628203747545 0.99096421106563 10.811 > 9 10 B 0.66399164286334 0.92646365998557 0.24515623569307 10.811 > 10 11 B 0.66399164286334 0.57353634001443 0.74515623569307 10.811 > 11 12 B 0.33600835713666 0.07353634001443 0.75484376430693 10.811 > 12 *13 B 0.91522285563757 0.67473001723520 0.39575362404522 10.811 > 13 14 B 0.08477714436243 0.17473001723520 0.10424637595478 10.811 > 14 15 B 0.08477714436243 0.32526998276480 0.60424637595478 10.811 > 15 16 B 0.91522285563757 0.82526998276480 0.89575362404522 10.811 > 16 *17 B 0.72015211810607 0.46916356245516 0.44342107792009 10.811 > 17 18 B 0.27984788189393 0.96916356245516 0.05657892207991 10.811 > 18 19 B 0.27984788189393 0.53083643754484 0.55657892207991 10.811 > 19 20 B 0.72015211810607 0.03083643754484 0.94342107792009 10.811 > 20 *21 O 0.81400986550751 0.79718955725246 0.27399301338034 15.999 > 21 *22 O 0.57948506857988 0.34976728521253 0.07021993815933 15.999 > 22 23 O 0.42051493142012 0.84976728521253 0.42978006184066 15.999 > 23 24 O 0.42051493142012 0.65023271478747 0.92978006184066 15.999 > 24 25 O 0.57948506857988 0.15023271478747 0.57021993815934 15.999 > 25 *26 O 0.88510707456743 0.55645868496586 0.12935125815645 15.999 > 26 27 O 0.11489292543257 0.05645868496586 0.37064874184355 15.999 > 27 28 O 0.11489292543257 0.44354131503415 0.87064874184355 15.999 > 28 29 O 0.18599013449249 0.29718955725246 0.22600698661966 15.999 > 29 30 O 0.88510707456743 0.94354131503414 0.62935125815645 15.999 > 30 31 O 0.81400986550751 0.70281044274754 0.77399301338034 15.999 > 31 32 O 0.18599013449249 0.20281044274754 0.72600698661966 15.999 > 32 *33 O 0.30592219973007 0.46733902023982 0.12291567274411 15.999 > 33 34 O 0.69407780026993 0.96733902023982 0.37708432725589 15.999 > 34 35 O 0.69407780026993 0.53266097976018 0.87708432725589 15.999 > 35 36 O 0.30592219973007 0.03266097976018 0.62291567274411 15.999 > 36 *37 O 0.31052012373949 0.59323614261847 0.30144388287402 15.999 > 37 38 O 0.68947987626051 0.09323614261847 0.19855611712598 15.999 > 38 39 O 0.68947987626051 0.40676385738153 0.69855611712598 15.999 > 39 40 O 0.31052012373949 0.90676385738153 0.80144388287402 15.999 > 40 *41 O 0.54216659467741 0.35196692372913 0.36214145055625 15.999 > 41 42 O 0.45783340532259 0.85196692372913 0.13785854944375 15.999 > 42 43 O 0.45783340532259 0.64803307627087 0.63785854944375 15.999 > 43 44 O 0.54216659467741 0.14803307627087 0.86214145055625 15.999 > 44 *45 O 0.76495708295773 0.52947006723545 0.34897006275507 15.999 > 45 46 O 0.23504291704227 0.02947006723545 0.15102993724493 15.999 > 46 47 O 0.23504291704227 0.47052993276455 0.65102993724493 15.999 > 47 48 O 0.76495708295773 0.97052993276455 0.84897006275507 15.999 > 48 *49 O 0.09636596467553 0.60652541562002 0.41955529339269 15.999 > 49 50 O 0.90363403532447 0.10652541562001 0.08044470660731 15.999 > 50 51 O 0.90363403532447 0.39347458437999 0.58044470660731 15.999 > 51 *52 O 0.67212939282970 0.87286441130768 0.99054966736337 15.999 > 52 *53 O 0.97643052693386 0.76696059319113 0.52276848981408 15.999 > 53 54 O 0.02356947306614 0.26696059319114 0.97723151018592 15.999 > 54 55 O 0.02356947306614 0.23303940680887 0.47723151018592 15.999 > 55 56 O 0.97643052693386 0.73303940680887 0.02276848981408 15.999 > 56 57 O 0.67212939282970 0.62713558869232 0.49054966736337 15.999 > 57 58 O 0.32787060717029 0.12713558869232 0.00945033263663 15.999 > 58 59 O 0.32787060717029 0.37286441130768 0.50945033263663 15.999 > 59 60 O 0.09636596467553 0.89347458437998 0.91955529339269 15.999 > 60 *61 Zn 0.52070838995055 0.58994975318898 0.12753010491111 65.380 > 61 62 Zn 0.47929161004945 0.08994975318898 0.37246989508889 65.380 > 62 63 Zn 0.47929161004945 0.41005024681102 0.87246989508890 65.380 > 63 64 Zn 0.52070838995055 0.91005024681102 0.62753010491110 65.380 > 64 *65 Tb 0.05637988631569 0.81843782385180 0.23982793187492 158.925 > 65 66 Tb 0.94362011368431 0.31843782385180 0.26017206812508 158.925 > 66 67 Tb 0.94362011368431 0.18156217614820 0.76017206812508 158.925 > 67 68 Tb 0.05637988631569 0.68156217614820 0.73982793187492 158.925 > 68 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.536079560529528 0.000000000000000 0.000000000000000 b 0.000000000000000 15.200804500000000 0.000000000000000 c -7.921530160868531 0.000000000000000 9.338727545801005 Atomic positions (fractional): *1 B 0.33600835713666 0.21323182999278 0.25484376430693 10.811 > 1 2 B 0.33600835713666 0.71323182999278 0.25484376430693 10.811 > 1 *3 B 0.47632123916540 0.40553323091749 0.91232233963536 10.811 > 2 4 B 0.47632123916540 0.90553323091749 0.91232233963536 10.811 > 2 5 B 0.52367876083460 0.15553323091749 0.58767766036464 10.811 > 3 6 B 0.52367876083460 0.65553323091749 0.58767766036464 10.811 > 3 7 B 0.52367876083460 0.09446676908251 0.08767766036464 10.811 > 4 8 B 0.52367876083460 0.59446676908251 0.08767766036464 10.811 > 4 9 B 0.47632123916540 0.34446676908251 0.41232233963536 10.811 > 5 10 B 0.47632123916540 0.84446676908251 0.41232233963536 10.811 > 5 *11 B 0.15103681816218 0.05185898126227 0.49096421106563 10.811 > 6 12 B 0.15103681816218 0.55185898126227 0.49096421106563 10.811 > 6 13 B 0.84896318183782 0.30185898126227 0.00903578893437 10.811 > 7 14 B 0.84896318183782 0.80185898126227 0.00903578893437 10.811 > 7 15 B 0.84896318183782 0.44814101873773 0.50903578893437 10.811 > 8 16 B 0.84896318183782 0.94814101873773 0.50903578893437 10.811 > 8 17 B 0.15103681816218 0.19814101873773 0.99096421106563 10.811 > 9 18 B 0.15103681816218 0.69814101873773 0.99096421106563 10.811 > 9 19 B 0.66399164286334 0.46323182999278 0.24515623569307 10.811 > 10 20 B 0.66399164286334 0.96323182999278 0.24515623569307 10.811 > 10 21 B 0.66399164286334 0.28676817000722 0.74515623569307 10.811 > 11 22 B 0.66399164286334 0.78676817000722 0.74515623569307 10.811 > 11 23 B 0.33600835713666 0.03676817000722 0.75484376430693 10.811 > 12 24 B 0.33600835713666 0.53676817000722 0.75484376430693 10.811 > 12 *25 B 0.91522285563757 0.33736500861760 0.39575362404522 10.811 > 13 26 B 0.91522285563757 0.83736500861760 0.39575362404522 10.811 > 13 27 B 0.08477714436243 0.08736500861760 0.10424637595478 10.811 > 14 28 B 0.08477714436243 0.58736500861760 0.10424637595478 10.811 > 14 29 B 0.08477714436243 0.16263499138240 0.60424637595478 10.811 > 15 30 B 0.08477714436243 0.66263499138240 0.60424637595478 10.811 > 15 31 B 0.91522285563757 0.41263499138240 0.89575362404522 10.811 > 16 32 B 0.91522285563757 0.91263499138240 0.89575362404522 10.811 > 16 *33 B 0.72015211810607 0.23458178122758 0.44342107792009 10.811 > 17 34 B 0.72015211810607 0.73458178122758 0.44342107792009 10.811 > 17 35 B 0.27984788189393 0.48458178122758 0.05657892207991 10.811 > 18 36 B 0.27984788189393 0.98458178122758 0.05657892207991 10.811 > 18 37 B 0.27984788189393 0.26541821877242 0.55657892207991 10.811 > 19 38 B 0.27984788189393 0.76541821877242 0.55657892207991 10.811 > 19 39 B 0.72015211810607 0.01541821877242 0.94342107792009 10.811 > 20 40 B 0.72015211810607 0.51541821877242 0.94342107792009 10.811 > 20 *41 O 0.81400986550751 0.39859477862623 0.27399301338034 15.999 > 21 42 O 0.81400986550751 0.89859477862623 0.27399301338034 15.999 > 21 *43 O 0.57948506857988 0.17488364260627 0.07021993815933 15.999 > 22 44 O 0.57948506857988 0.67488364260627 0.07021993815933 15.999 > 22 45 O 0.42051493142012 0.42488364260627 0.42978006184066 15.999 > 23 46 O 0.42051493142012 0.92488364260627 0.42978006184066 15.999 > 23 47 O 0.42051493142012 0.32511635739373 0.92978006184066 15.999 > 24 48 O 0.42051493142012 0.82511635739373 0.92978006184066 15.999 > 24 49 O 0.57948506857988 0.07511635739373 0.57021993815934 15.999 > 25 50 O 0.57948506857988 0.57511635739373 0.57021993815934 15.999 > 25 *51 O 0.88510707456743 0.27822934248293 0.12935125815645 15.999 > 26 52 O 0.88510707456743 0.77822934248293 0.12935125815645 15.999 > 26 53 O 0.11489292543257 0.02822934248293 0.37064874184355 15.999 > 27 54 O 0.11489292543257 0.52822934248293 0.37064874184355 15.999 > 27 55 O 0.11489292543257 0.22177065751707 0.87064874184355 15.999 > 28 56 O 0.11489292543257 0.72177065751707 0.87064874184355 15.999 > 28 57 O 0.18599013449249 0.14859477862623 0.22600698661966 15.999 > 29 58 O 0.18599013449249 0.64859477862623 0.22600698661966 15.999 > 29 59 O 0.88510707456743 0.47177065751707 0.62935125815645 15.999 > 30 60 O 0.88510707456743 0.97177065751707 0.62935125815645 15.999 > 30 61 O 0.81400986550751 0.35140522137377 0.77399301338034 15.999 > 31 62 O 0.81400986550751 0.85140522137377 0.77399301338034 15.999 > 31 63 O 0.18599013449249 0.10140522137377 0.72600698661966 15.999 > 32 64 O 0.18599013449249 0.60140522137377 0.72600698661966 15.999 > 32 *65 O 0.30592219973007 0.23366951011991 0.12291567274411 15.999 > 33 66 O 0.30592219973007 0.73366951011991 0.12291567274411 15.999 > 33 67 O 0.69407780026993 0.48366951011991 0.37708432725589 15.999 > 34 68 O 0.69407780026993 0.98366951011991 0.37708432725589 15.999 > 34 69 O 0.69407780026993 0.26633048988009 0.87708432725589 15.999 > 35 70 O 0.69407780026993 0.76633048988009 0.87708432725589 15.999 > 35 71 O 0.30592219973007 0.01633048988009 0.62291567274411 15.999 > 36 72 O 0.30592219973007 0.51633048988009 0.62291567274411 15.999 > 36 *73 O 0.31052012373949 0.29661807130923 0.30144388287402 15.999 > 37 74 O 0.31052012373949 0.79661807130923 0.30144388287402 15.999 > 37 75 O 0.68947987626051 0.04661807130923 0.19855611712598 15.999 > 38 76 O 0.68947987626051 0.54661807130923 0.19855611712598 15.999 > 38 77 O 0.68947987626051 0.20338192869077 0.69855611712598 15.999 > 39 78 O 0.68947987626051 0.70338192869077 0.69855611712598 15.999 > 39 79 O 0.31052012373949 0.45338192869077 0.80144388287402 15.999 > 40 80 O 0.31052012373949 0.95338192869077 0.80144388287402 15.999 > 40 *81 O 0.54216659467741 0.17598346186456 0.36214145055625 15.999 > 41 82 O 0.54216659467741 0.67598346186456 0.36214145055625 15.999 > 41 83 O 0.45783340532259 0.42598346186456 0.13785854944375 15.999 > 42 84 O 0.45783340532259 0.92598346186456 0.13785854944375 15.999 > 42 85 O 0.45783340532259 0.32401653813544 0.63785854944375 15.999 > 43 86 O 0.45783340532259 0.82401653813544 0.63785854944375 15.999 > 43 87 O 0.54216659467741 0.07401653813544 0.86214145055625 15.999 > 44 88 O 0.54216659467741 0.57401653813544 0.86214145055625 15.999 > 44 *89 O 0.76495708295773 0.26473503361773 0.34897006275507 15.999 > 45 90 O 0.76495708295773 0.76473503361773 0.34897006275507 15.999 > 45 91 O 0.23504291704227 0.01473503361773 0.15102993724493 15.999 > 46 92 O 0.23504291704227 0.51473503361773 0.15102993724493 15.999 > 46 93 O 0.23504291704227 0.23526496638227 0.65102993724493 15.999 > 47 94 O 0.23504291704227 0.73526496638227 0.65102993724493 15.999 > 47 95 O 0.76495708295773 0.48526496638227 0.84897006275507 15.999 > 48 96 O 0.76495708295773 0.98526496638227 0.84897006275507 15.999 > 48 *97 O 0.09636596467553 0.30326270781001 0.41955529339269 15.999 > 49 98 O 0.09636596467553 0.80326270781001 0.41955529339269 15.999 > 49 99 O 0.90363403532447 0.05326270781001 0.08044470660731 15.999 > 50 100 O 0.90363403532447 0.55326270781001 0.08044470660731 15.999 > 50 101 O 0.90363403532447 0.19673729218999 0.58044470660731 15.999 > 51 102 O 0.90363403532447 0.69673729218999 0.58044470660731 15.999 > 51 *103 O 0.67212939282970 0.43643220565384 0.99054966736337 15.999 > 52 104 O 0.67212939282970 0.93643220565384 0.99054966736337 15.999 > 52 *105 O 0.97643052693386 0.38348029659557 0.52276848981408 15.999 > 53 106 O 0.97643052693386 0.88348029659557 0.52276848981408 15.999 > 53 107 O 0.02356947306614 0.13348029659557 0.97723151018592 15.999 > 54 108 O 0.02356947306614 0.63348029659557 0.97723151018592 15.999 > 54 109 O 0.02356947306614 0.11651970340443 0.47723151018592 15.999 > 55 110 O 0.02356947306614 0.61651970340443 0.47723151018592 15.999 > 55 111 O 0.97643052693386 0.36651970340443 0.02276848981408 15.999 > 56 112 O 0.97643052693386 0.86651970340443 0.02276848981408 15.999 > 56 113 O 0.67212939282970 0.31356779434616 0.49054966736337 15.999 > 57 114 O 0.67212939282970 0.81356779434616 0.49054966736337 15.999 > 57 115 O 0.32787060717029 0.06356779434616 0.00945033263663 15.999 > 58 116 O 0.32787060717029 0.56356779434616 0.00945033263663 15.999 > 58 117 O 0.32787060717029 0.18643220565384 0.50945033263663 15.999 > 59 118 O 0.32787060717029 0.68643220565384 0.50945033263663 15.999 > 59 119 O 0.09636596467553 0.44673729218999 0.91955529339269 15.999 > 60 120 O 0.09636596467553 0.94673729218999 0.91955529339269 15.999 > 60 *121 Zn 0.52070838995055 0.29497487659449 0.12753010491111 65.380 > 61 122 Zn 0.52070838995055 0.79497487659449 0.12753010491111 65.380 > 61 123 Zn 0.47929161004945 0.04497487659449 0.37246989508889 65.380 > 62 124 Zn 0.47929161004945 0.54497487659449 0.37246989508889 65.380 > 62 125 Zn 0.47929161004945 0.20502512340551 0.87246989508890 65.380 > 63 126 Zn 0.47929161004945 0.70502512340551 0.87246989508890 65.380 > 63 127 Zn 0.52070838995055 0.45502512340551 0.62753010491110 65.380 > 64 128 Zn 0.52070838995055 0.95502512340551 0.62753010491110 65.380 > 64 *129 Tb 0.05637988631569 0.40921891192590 0.23982793187492 158.925 > 65 130 Tb 0.05637988631569 0.90921891192590 0.23982793187492 158.925 > 65 131 Tb 0.94362011368431 0.15921891192590 0.26017206812508 158.925 > 66 132 Tb 0.94362011368431 0.65921891192590 0.26017206812508 158.925 > 66 133 Tb 0.94362011368431 0.09078108807410 0.76017206812508 158.925 > 67 134 Tb 0.94362011368431 0.59078108807410 0.76017206812508 158.925 > 67 135 Tb 0.05637988631569 0.34078108807410 0.73982793187492 158.925 > 68 136 Tb 0.05637988631569 0.84078108807410 0.73982793187492 158.925 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2981379 0.0000000 0.0196727 0.0000000 3.4174373 0.0000000 0.0196720 0.0000000 3.4522544 -------------------------- Born effective charges -------------------------- 1 B 2.2071103 0.0703393 -0.0805223 -0.0140837 2.5110460 0.2475944 -0.0696429 0.1543875 2.6979926 2 B 2.1264678 0.6659112 0.7412188 0.6106288 2.4397589 -0.3866791 0.6674648 -0.3768201 1.7766897 3 B 2.1264678 -0.6659112 0.7412188 -0.6106288 2.4397589 0.3866791 0.6674648 0.3768201 1.7766897 4 B 2.1264678 0.6659112 0.7412188 0.6106288 2.4397589 -0.3866791 0.6674648 -0.3768201 1.7766897 5 B 2.1264678 -0.6659112 0.7412188 -0.6106288 2.4397589 0.3866791 0.6674648 0.3768201 1.7766897 6 B 1.7776843 -0.4779850 -0.1465848 -0.6620794 1.9456921 -0.1216628 -0.3192365 -0.0330197 2.9598836 7 B 1.7776843 0.4779850 -0.1465848 0.6620794 1.9456921 0.1216628 -0.3192365 0.0330197 2.9598836 8 B 1.7776843 -0.4779850 -0.1465848 -0.6620794 1.9456921 -0.1216628 -0.3192365 -0.0330197 2.9598836 9 B 1.7776843 0.4779850 -0.1465848 0.6620794 1.9456921 0.1216628 -0.3192365 0.0330197 2.9598836 10 B 2.2071103 -0.0703393 -0.0805223 0.0140837 2.5110460 -0.2475944 -0.0696429 -0.1543875 2.6979926 11 B 2.2071103 0.0703393 -0.0805223 -0.0140837 2.5110460 0.2475944 -0.0696429 0.1543875 2.6979926 12 B 2.2071103 -0.0703393 -0.0805223 0.0140837 2.5110460 -0.2475944 -0.0696429 -0.1543875 2.6979926 13 B 2.5082614 -0.1771207 -0.1653789 -0.1497100 2.3699127 0.0212975 0.0441607 0.0764523 2.2746482 14 B 2.5082614 0.1771207 -0.1653789 0.1497100 2.3699127 -0.0212975 0.0441607 -0.0764523 2.2746482 15 B 2.5082614 -0.1771207 -0.1653789 -0.1497100 2.3699127 0.0212975 0.0441607 0.0764523 2.2746482 16 B 2.5082614 0.1771207 -0.1653789 0.1497100 2.3699127 -0.0212975 0.0441607 -0.0764523 2.2746482 17 B 2.7220229 -0.0069830 0.1245916 0.1089666 2.2862762 0.0110553 0.1272493 -0.1623878 2.5203311 18 B 2.7220229 0.0069830 0.1245916 -0.1089666 2.2862762 -0.0110553 0.1272493 0.1623878 2.5203311 19 B 2.7220229 -0.0069830 0.1245916 0.1089666 2.2862762 0.0110553 0.1272493 -0.1623878 2.5203311 20 B 2.7220229 0.0069830 0.1245916 -0.1089666 2.2862762 -0.0110553 0.1272493 0.1623878 2.5203311 21 O -2.0116771 0.2815631 -0.0063579 0.2966996 -1.8186045 0.4188558 -0.0769400 0.4075506 -1.6295688 22 O -1.6076244 -0.2908298 -0.1190385 -0.3518084 -2.2583386 0.1707631 -0.1341646 0.2146998 -1.6479733 23 O -1.6076244 0.2908298 -0.1190385 0.3518084 -2.2583386 -0.1707631 -0.1341646 -0.2146998 -1.6479733 24 O -1.6076244 -0.2908298 -0.1190385 -0.3518084 -2.2583386 0.1707631 -0.1341646 0.2146998 -1.6479733 25 O -1.6076244 0.2908298 -0.1190385 0.3518084 -2.2583386 -0.1707631 -0.1341646 -0.2146998 -1.6479733 26 O -1.3398425 -0.3453326 0.3602040 -0.5079362 -2.1672613 0.4157547 0.5083301 0.3573809 -2.3879326 27 O -1.3398425 0.3453326 0.3602040 0.5079362 -2.1672613 -0.4157547 0.5083301 -0.3573809 -2.3879326 28 O -1.3398425 -0.3453326 0.3602040 -0.5079362 -2.1672613 0.4157547 0.5083301 0.3573809 -2.3879326 29 O -2.0116771 -0.2815631 -0.0063579 -0.2966996 -1.8186045 -0.4188558 -0.0769400 -0.4075506 -1.6295688 30 O -1.3398425 0.3453326 0.3602040 0.5079362 -2.1672613 -0.4157547 0.5083301 -0.3573809 -2.3879326 31 O -2.0116771 -0.2815631 -0.0063579 -0.2966996 -1.8186045 -0.4188558 -0.0769400 -0.4075506 -1.6295688 32 O -2.0116771 0.2815631 -0.0063579 0.2966996 -1.8186045 0.4188558 -0.0769400 0.4075506 -1.6295688 33 O -1.4782082 -0.3295264 0.2276572 -0.3205668 -1.2248227 -0.3649967 0.1996105 -0.2240220 -2.5204266 34 O -1.4782082 0.3295264 0.2276572 0.3205668 -1.2248227 0.3649967 0.1996105 0.2240220 -2.5204266 35 O -1.4782082 -0.3295264 0.2276572 -0.3205668 -1.2248227 -0.3649967 0.1996105 -0.2240220 -2.5204266 36 O -1.4782082 0.3295264 0.2276572 0.3205668 -1.2248227 0.3649967 0.1996105 0.2240220 -2.5204266 37 O -1.3775880 0.4114497 -0.3221656 0.3559719 -2.1497473 -0.6496841 -0.2954872 -0.6663052 -1.5807793 38 O -1.3775880 -0.4114497 -0.3221656 -0.3559719 -2.1497473 0.6496841 -0.2954872 0.6663052 -1.5807793 39 O -1.3775880 0.4114497 -0.3221656 0.3559719 -2.1497473 -0.6496841 -0.2954872 -0.6663052 -1.5807793 40 O -1.3775880 -0.4114497 -0.3221656 -0.3559719 -2.1497473 0.6496841 -0.2954872 0.6663052 -1.5807793 41 O -1.7390101 -0.2879919 -0.5626534 -0.3053962 -1.7896589 -0.1638005 -0.5739652 -0.0213830 -1.7809035 42 O -1.7390101 0.2879919 -0.5626534 0.3053962 -1.7896589 0.1638005 -0.5739652 0.0213830 -1.7809035 43 O -1.7390101 -0.2879919 -0.5626534 -0.3053962 -1.7896589 -0.1638005 -0.5739652 -0.0213830 -1.7809035 44 O -1.7390101 0.2879919 -0.5626534 0.3053962 -1.7896589 0.1638005 -0.5739652 0.0213830 -1.7809035 45 O -2.0623448 -0.4324089 0.2893266 -0.4193665 -1.6472271 -0.0045915 0.1956286 0.0505231 -1.7691400 46 O -2.0623448 0.4324089 0.2893266 0.4193665 -1.6472271 0.0045915 0.1956286 -0.0505231 -1.7691400 47 O -2.0623448 -0.4324089 0.2893266 -0.4193665 -1.6472271 -0.0045915 0.1956286 0.0505231 -1.7691400 48 O -2.0623448 0.4324089 0.2893266 0.4193665 -1.6472271 0.0045915 0.1956286 -0.0505231 -1.7691400 49 O -1.9493626 0.3348965 -0.3030843 0.2595577 -1.6553743 0.4253682 -0.2839425 0.4281609 -1.9603857 50 O -1.9493626 -0.3348965 -0.3030843 -0.2595577 -1.6553743 -0.4253682 -0.2839425 -0.4281609 -1.9603857 51 O -1.9493626 0.3348965 -0.3030843 0.2595577 -1.6553743 0.4253682 -0.2839425 0.4281609 -1.9603857 52 O -2.0366459 -0.6155565 -0.5069247 -0.5526448 -1.7728889 0.0528802 -0.4738157 0.0370713 -1.4235776 53 O -1.6164758 0.6073256 0.4463427 0.5697662 -1.6839404 -0.1298439 0.4420417 -0.2427782 -1.9311342 54 O -1.6164758 -0.6073256 0.4463427 -0.5697662 -1.6839404 0.1298439 0.4420417 0.2427782 -1.9311342 55 O -1.6164758 0.6073256 0.4463427 0.5697662 -1.6839404 -0.1298439 0.4420417 -0.2427782 -1.9311342 56 O -1.6164758 -0.6073256 0.4463427 -0.5697662 -1.6839404 0.1298439 0.4420417 0.2427782 -1.9311342 57 O -2.0366459 0.6155565 -0.5069247 0.5526448 -1.7728889 -0.0528802 -0.4738157 -0.0370713 -1.4235776 58 O -2.0366459 -0.6155565 -0.5069247 -0.5526448 -1.7728889 0.0528802 -0.4738157 0.0370713 -1.4235776 59 O -2.0366459 0.6155565 -0.5069247 0.5526448 -1.7728889 -0.0528802 -0.4738157 -0.0370713 -1.4235776 60 O -1.9493626 -0.3348965 -0.3030843 -0.2595577 -1.6553743 -0.4253682 -0.2839425 -0.4281609 -1.9603857 61 Zn 2.0624967 0.0567452 -0.0455816 0.0793240 2.5785068 0.0478342 0.0018622 0.0459473 2.3935612 62 Zn 2.0624967 -0.0567452 -0.0455816 -0.0793240 2.5785068 -0.0478342 0.0018622 -0.0459473 2.3935612 63 Zn 2.0624967 0.0567452 -0.0455816 0.0793240 2.5785068 0.0478342 0.0018622 0.0459473 2.3935612 64 Zn 2.0624967 -0.0567452 -0.0455816 -0.0793240 2.5785068 -0.0478342 0.0018622 -0.0459473 2.3935612 65 Tb 3.8147358 -0.1158347 0.0689513 -0.0955716 4.0366714 0.3569974 0.0408469 0.3605343 4.0087152 66 Tb 3.8147358 0.1158347 0.0689513 0.0955716 4.0366714 -0.3569974 0.0408469 -0.3605343 4.0087152 67 Tb 3.8147358 -0.1158347 0.0689513 -0.0955716 4.0366714 0.3569974 0.0408469 0.3605343 4.0087152 68 Tb 3.8147358 0.1158347 0.0689513 0.0955716 4.0366714 -0.3569974 0.0408469 -0.3605343 4.0087152 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10557 Number of blocks in projector: 10557 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 108 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 108 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. Tree of FC basis block matrices: - (10557, 10405), data: False |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 108), data: (2312, 142) @ (142, 108) |-- (312, 278), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 108), data: (2312, 142) @ (142, 108) |-- (312, 278), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 2080 - Time: 4.098 Solver_block: 200 / 2080 - Time: 3.706 Solver_block: 300 / 2080 - Time: 3.795 Solver_block: 400 / 2080 - Time: 3.803 Solver_block: 500 / 2080 - Time: 3.732 Solver_block: 600 / 2080 - Time: 3.806 Solver_block: 700 / 2080 - Time: 3.791 Solver_block: 800 / 2080 - Time: 3.802 Solver_block: 900 / 2080 - Time: 3.718 Solver_block: 1000 / 2080 - Time: 3.795 Solver_block: 1100 / 2080 - Time: 3.801 Solver_block: 1200 / 2080 - Time: 3.757 Solver_block: 1300 / 2080 - Time: 3.795 Solver_block: 1400 / 2080 - Time: 3.781 Solver_block: 1500 / 2080 - Time: 3.708 Solver_block: 1600 / 2080 - Time: 3.772 Solver_block: 1700 / 2080 - Time: 3.808 Solver_block: 1800 / 2080 - Time: 3.795 Solver_block: 1900 / 2080 - Time: 3.805 Solver_block: 2000 / 2080 - Time: 3.743 Solver_block: 2080 / 2080 - Time: 3.063 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 81.280 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10557 Number of blocks in projector: 10557 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 108 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 108 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. Tree of FC basis block matrices: - (10557, 10405), data: False |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 108), data: (2312, 142) @ (142, 108) |-- (312, 278), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 108), data: (2312, 142) @ (142, 108) |-- (312, 278), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 01:36:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:36:54]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.536079560529528 0.000000000000000 0.000000000000000 b 0.000000000000000 7.600402250000000 0.000000000000000 c -7.921530160868531 0.000000000000000 9.338727545801005 Atomic positions (fractional): 1 B 0.33600835713666 0.42646365998557 0.25484376430693 10.811 2 B 0.47632123916540 0.81106646183498 0.91232233963536 10.811 3 B 0.52367876083460 0.31106646183498 0.58767766036464 10.811 4 B 0.52367876083460 0.18893353816502 0.08767766036464 10.811 5 B 0.47632123916540 0.68893353816502 0.41232233963536 10.811 6 B 0.15103681816218 0.10371796252455 0.49096421106563 10.811 7 B 0.84896318183782 0.60371796252455 0.00903578893437 10.811 8 B 0.84896318183782 0.89628203747545 0.50903578893437 10.811 9 B 0.15103681816218 0.39628203747545 0.99096421106563 10.811 10 B 0.66399164286334 0.92646365998557 0.24515623569307 10.811 11 B 0.66399164286334 0.57353634001443 0.74515623569307 10.811 12 B 0.33600835713666 0.07353634001443 0.75484376430693 10.811 13 B 0.91522285563757 0.67473001723520 0.39575362404522 10.811 14 B 0.08477714436243 0.17473001723520 0.10424637595478 10.811 15 B 0.08477714436243 0.32526998276480 0.60424637595478 10.811 16 B 0.91522285563757 0.82526998276480 0.89575362404522 10.811 17 B 0.72015211810607 0.46916356245516 0.44342107792009 10.811 18 B 0.27984788189393 0.96916356245516 0.05657892207991 10.811 19 B 0.27984788189393 0.53083643754484 0.55657892207991 10.811 20 B 0.72015211810607 0.03083643754484 0.94342107792009 10.811 21 O 0.81400986550751 0.79718955725246 0.27399301338034 15.999 22 O 0.57948506857988 0.34976728521253 0.07021993815933 15.999 23 O 0.42051493142012 0.84976728521253 0.42978006184066 15.999 24 O 0.42051493142012 0.65023271478747 0.92978006184066 15.999 25 O 0.57948506857988 0.15023271478747 0.57021993815934 15.999 26 O 0.88510707456743 0.55645868496586 0.12935125815645 15.999 27 O 0.11489292543257 0.05645868496586 0.37064874184355 15.999 28 O 0.11489292543257 0.44354131503415 0.87064874184355 15.999 29 O 0.18599013449249 0.29718955725246 0.22600698661966 15.999 30 O 0.88510707456743 0.94354131503414 0.62935125815645 15.999 31 O 0.81400986550751 0.70281044274754 0.77399301338034 15.999 32 O 0.18599013449249 0.20281044274754 0.72600698661966 15.999 33 O 0.30592219973007 0.46733902023982 0.12291567274411 15.999 34 O 0.69407780026993 0.96733902023982 0.37708432725589 15.999 35 O 0.69407780026993 0.53266097976018 0.87708432725589 15.999 36 O 0.30592219973007 0.03266097976018 0.62291567274411 15.999 37 O 0.31052012373949 0.59323614261847 0.30144388287402 15.999 38 O 0.68947987626051 0.09323614261847 0.19855611712598 15.999 39 O 0.68947987626051 0.40676385738153 0.69855611712598 15.999 40 O 0.31052012373949 0.90676385738153 0.80144388287402 15.999 41 O 0.54216659467741 0.35196692372913 0.36214145055625 15.999 42 O 0.45783340532259 0.85196692372913 0.13785854944375 15.999 43 O 0.45783340532259 0.64803307627087 0.63785854944375 15.999 44 O 0.54216659467741 0.14803307627087 0.86214145055625 15.999 45 O 0.76495708295773 0.52947006723545 0.34897006275507 15.999 46 O 0.23504291704227 0.02947006723545 0.15102993724493 15.999 47 O 0.23504291704227 0.47052993276455 0.65102993724493 15.999 48 O 0.76495708295773 0.97052993276455 0.84897006275507 15.999 49 O 0.09636596467553 0.60652541562002 0.41955529339269 15.999 50 O 0.90363403532447 0.10652541562001 0.08044470660731 15.999 51 O 0.90363403532447 0.39347458437999 0.58044470660731 15.999 52 O 0.67212939282970 0.87286441130768 0.99054966736337 15.999 53 O 0.97643052693386 0.76696059319113 0.52276848981408 15.999 54 O 0.02356947306614 0.26696059319114 0.97723151018592 15.999 55 O 0.02356947306614 0.23303940680887 0.47723151018592 15.999 56 O 0.97643052693386 0.73303940680887 0.02276848981408 15.999 57 O 0.67212939282970 0.62713558869232 0.49054966736337 15.999 58 O 0.32787060717029 0.12713558869232 0.00945033263663 15.999 59 O 0.32787060717029 0.37286441130768 0.50945033263663 15.999 60 O 0.09636596467553 0.89347458437998 0.91955529339269 15.999 61 Zn 0.52070838995055 0.58994975318898 0.12753010491111 65.380 62 Zn 0.47929161004945 0.08994975318898 0.37246989508889 65.380 63 Zn 0.47929161004945 0.41005024681102 0.87246989508890 65.380 64 Zn 0.52070838995055 0.91005024681102 0.62753010491110 65.380 65 Tb 0.05637988631569 0.81843782385180 0.23982793187492 158.925 66 Tb 0.94362011368431 0.31843782385180 0.26017206812508 158.925 67 Tb 0.94362011368431 0.18156217614820 0.76017206812508 158.925 68 Tb 0.05637988631569 0.68156217614820 0.73982793187492 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.536079560529528 0.000000000000000 0.000000000000000 b 0.000000000000000 15.200804500000000 0.000000000000000 c -7.921530160868531 0.000000000000000 9.338727545801005 Atomic positions (fractional): 1 B 0.33600835713666 0.21323182999278 0.25484376430693 10.811 > 1 2 B 0.33600835713666 0.71323182999278 0.25484376430693 10.811 > 1 3 B 0.47632123916540 0.40553323091749 0.91232233963536 10.811 > 3 4 B 0.47632123916540 0.90553323091749 0.91232233963536 10.811 > 3 5 B 0.52367876083460 0.15553323091749 0.58767766036464 10.811 > 5 6 B 0.52367876083460 0.65553323091749 0.58767766036464 10.811 > 5 7 B 0.52367876083460 0.09446676908251 0.08767766036464 10.811 > 7 8 B 0.52367876083460 0.59446676908251 0.08767766036464 10.811 > 7 9 B 0.47632123916540 0.34446676908251 0.41232233963536 10.811 > 9 10 B 0.47632123916540 0.84446676908251 0.41232233963536 10.811 > 9 11 B 0.15103681816218 0.05185898126227 0.49096421106563 10.811 > 11 12 B 0.15103681816218 0.55185898126227 0.49096421106563 10.811 > 11 13 B 0.84896318183782 0.30185898126227 0.00903578893437 10.811 > 13 14 B 0.84896318183782 0.80185898126227 0.00903578893437 10.811 > 13 15 B 0.84896318183782 0.44814101873773 0.50903578893437 10.811 > 15 16 B 0.84896318183782 0.94814101873773 0.50903578893437 10.811 > 15 17 B 0.15103681816218 0.19814101873773 0.99096421106563 10.811 > 17 18 B 0.15103681816218 0.69814101873773 0.99096421106563 10.811 > 17 19 B 0.66399164286334 0.46323182999278 0.24515623569307 10.811 > 19 20 B 0.66399164286334 0.96323182999278 0.24515623569307 10.811 > 19 21 B 0.66399164286334 0.28676817000722 0.74515623569307 10.811 > 21 22 B 0.66399164286334 0.78676817000722 0.74515623569307 10.811 > 21 23 B 0.33600835713666 0.03676817000722 0.75484376430693 10.811 > 23 24 B 0.33600835713666 0.53676817000722 0.75484376430693 10.811 > 23 25 B 0.91522285563757 0.33736500861760 0.39575362404522 10.811 > 25 26 B 0.91522285563757 0.83736500861760 0.39575362404522 10.811 > 25 27 B 0.08477714436243 0.08736500861760 0.10424637595478 10.811 > 27 28 B 0.08477714436243 0.58736500861760 0.10424637595478 10.811 > 27 29 B 0.08477714436243 0.16263499138240 0.60424637595478 10.811 > 29 30 B 0.08477714436243 0.66263499138240 0.60424637595478 10.811 > 29 31 B 0.91522285563757 0.41263499138240 0.89575362404522 10.811 > 31 32 B 0.91522285563757 0.91263499138240 0.89575362404522 10.811 > 31 33 B 0.72015211810607 0.23458178122758 0.44342107792009 10.811 > 33 34 B 0.72015211810607 0.73458178122758 0.44342107792009 10.811 > 33 35 B 0.27984788189393 0.48458178122758 0.05657892207991 10.811 > 35 36 B 0.27984788189393 0.98458178122758 0.05657892207991 10.811 > 35 37 B 0.27984788189393 0.26541821877242 0.55657892207991 10.811 > 37 38 B 0.27984788189393 0.76541821877242 0.55657892207991 10.811 > 37 39 B 0.72015211810607 0.01541821877242 0.94342107792009 10.811 > 39 40 B 0.72015211810607 0.51541821877242 0.94342107792009 10.811 > 39 41 O 0.81400986550751 0.39859477862623 0.27399301338034 15.999 > 41 42 O 0.81400986550751 0.89859477862623 0.27399301338034 15.999 > 41 43 O 0.57948506857988 0.17488364260627 0.07021993815933 15.999 > 43 44 O 0.57948506857988 0.67488364260627 0.07021993815933 15.999 > 43 45 O 0.42051493142012 0.42488364260627 0.42978006184066 15.999 > 45 46 O 0.42051493142012 0.92488364260627 0.42978006184066 15.999 > 45 47 O 0.42051493142012 0.32511635739373 0.92978006184066 15.999 > 47 48 O 0.42051493142012 0.82511635739373 0.92978006184066 15.999 > 47 49 O 0.57948506857988 0.07511635739373 0.57021993815934 15.999 > 49 50 O 0.57948506857988 0.57511635739373 0.57021993815934 15.999 > 49 51 O 0.88510707456743 0.27822934248293 0.12935125815645 15.999 > 51 52 O 0.88510707456743 0.77822934248293 0.12935125815645 15.999 > 51 53 O 0.11489292543257 0.02822934248293 0.37064874184355 15.999 > 53 54 O 0.11489292543257 0.52822934248293 0.37064874184355 15.999 > 53 55 O 0.11489292543257 0.22177065751707 0.87064874184355 15.999 > 55 56 O 0.11489292543257 0.72177065751707 0.87064874184355 15.999 > 55 57 O 0.18599013449249 0.14859477862623 0.22600698661966 15.999 > 57 58 O 0.18599013449249 0.64859477862623 0.22600698661966 15.999 > 57 59 O 0.88510707456743 0.47177065751707 0.62935125815645 15.999 > 59 60 O 0.88510707456743 0.97177065751707 0.62935125815645 15.999 > 59 61 O 0.81400986550751 0.35140522137377 0.77399301338034 15.999 > 61 62 O 0.81400986550751 0.85140522137377 0.77399301338034 15.999 > 61 63 O 0.18599013449249 0.10140522137377 0.72600698661966 15.999 > 63 64 O 0.18599013449249 0.60140522137377 0.72600698661966 15.999 > 63 65 O 0.30592219973007 0.23366951011991 0.12291567274411 15.999 > 65 66 O 0.30592219973007 0.73366951011991 0.12291567274411 15.999 > 65 67 O 0.69407780026993 0.48366951011991 0.37708432725589 15.999 > 67 68 O 0.69407780026993 0.98366951011991 0.37708432725589 15.999 > 67 69 O 0.69407780026993 0.26633048988009 0.87708432725589 15.999 > 69 70 O 0.69407780026993 0.76633048988009 0.87708432725589 15.999 > 69 71 O 0.30592219973007 0.01633048988009 0.62291567274411 15.999 > 71 72 O 0.30592219973007 0.51633048988009 0.62291567274411 15.999 > 71 73 O 0.31052012373949 0.29661807130923 0.30144388287402 15.999 > 73 74 O 0.31052012373949 0.79661807130923 0.30144388287402 15.999 > 73 75 O 0.68947987626051 0.04661807130923 0.19855611712598 15.999 > 75 76 O 0.68947987626051 0.54661807130923 0.19855611712598 15.999 > 75 77 O 0.68947987626051 0.20338192869077 0.69855611712598 15.999 > 77 78 O 0.68947987626051 0.70338192869077 0.69855611712598 15.999 > 77 79 O 0.31052012373949 0.45338192869077 0.80144388287402 15.999 > 79 80 O 0.31052012373949 0.95338192869077 0.80144388287402 15.999 > 79 81 O 0.54216659467741 0.17598346186456 0.36214145055625 15.999 > 81 82 O 0.54216659467741 0.67598346186456 0.36214145055625 15.999 > 81 83 O 0.45783340532259 0.42598346186456 0.13785854944375 15.999 > 83 84 O 0.45783340532259 0.92598346186456 0.13785854944375 15.999 > 83 85 O 0.45783340532259 0.32401653813544 0.63785854944375 15.999 > 85 86 O 0.45783340532259 0.82401653813544 0.63785854944375 15.999 > 85 87 O 0.54216659467741 0.07401653813544 0.86214145055625 15.999 > 87 88 O 0.54216659467741 0.57401653813544 0.86214145055625 15.999 > 87 89 O 0.76495708295773 0.26473503361773 0.34897006275507 15.999 > 89 90 O 0.76495708295773 0.76473503361773 0.34897006275507 15.999 > 89 91 O 0.23504291704227 0.01473503361773 0.15102993724493 15.999 > 91 92 O 0.23504291704227 0.51473503361773 0.15102993724493 15.999 > 91 93 O 0.23504291704227 0.23526496638227 0.65102993724493 15.999 > 93 94 O 0.23504291704227 0.73526496638227 0.65102993724493 15.999 > 93 95 O 0.76495708295773 0.48526496638227 0.84897006275507 15.999 > 95 96 O 0.76495708295773 0.98526496638227 0.84897006275507 15.999 > 95 97 O 0.09636596467553 0.30326270781001 0.41955529339269 15.999 > 97 98 O 0.09636596467553 0.80326270781001 0.41955529339269 15.999 > 97 99 O 0.90363403532447 0.05326270781001 0.08044470660731 15.999 > 99 100 O 0.90363403532447 0.55326270781001 0.08044470660731 15.999 > 99 101 O 0.90363403532447 0.19673729218999 0.58044470660731 15.999 > 101 102 O 0.90363403532447 0.69673729218999 0.58044470660731 15.999 > 101 103 O 0.67212939282970 0.43643220565384 0.99054966736337 15.999 > 103 104 O 0.67212939282970 0.93643220565384 0.99054966736337 15.999 > 103 105 O 0.97643052693386 0.38348029659557 0.52276848981408 15.999 > 105 106 O 0.97643052693386 0.88348029659557 0.52276848981408 15.999 > 105 107 O 0.02356947306614 0.13348029659557 0.97723151018592 15.999 > 107 108 O 0.02356947306614 0.63348029659557 0.97723151018592 15.999 > 107 109 O 0.02356947306614 0.11651970340443 0.47723151018592 15.999 > 109 110 O 0.02356947306614 0.61651970340443 0.47723151018592 15.999 > 109 111 O 0.97643052693386 0.36651970340443 0.02276848981408 15.999 > 111 112 O 0.97643052693386 0.86651970340443 0.02276848981408 15.999 > 111 113 O 0.67212939282970 0.31356779434616 0.49054966736337 15.999 > 113 114 O 0.67212939282970 0.81356779434616 0.49054966736337 15.999 > 113 115 O 0.32787060717029 0.06356779434616 0.00945033263663 15.999 > 115 116 O 0.32787060717029 0.56356779434616 0.00945033263663 15.999 > 115 117 O 0.32787060717029 0.18643220565384 0.50945033263663 15.999 > 117 118 O 0.32787060717029 0.68643220565384 0.50945033263663 15.999 > 117 119 O 0.09636596467553 0.44673729218999 0.91955529339269 15.999 > 119 120 O 0.09636596467553 0.94673729218999 0.91955529339269 15.999 > 119 121 Zn 0.52070838995055 0.29497487659449 0.12753010491111 65.380 > 121 122 Zn 0.52070838995055 0.79497487659449 0.12753010491111 65.380 > 121 123 Zn 0.47929161004945 0.04497487659449 0.37246989508889 65.380 > 123 124 Zn 0.47929161004945 0.54497487659449 0.37246989508889 65.380 > 123 125 Zn 0.47929161004945 0.20502512340551 0.87246989508890 65.380 > 125 126 Zn 0.47929161004945 0.70502512340551 0.87246989508890 65.380 > 125 127 Zn 0.52070838995055 0.45502512340551 0.62753010491110 65.380 > 127 128 Zn 0.52070838995055 0.95502512340551 0.62753010491110 65.380 > 127 129 Tb 0.05637988631569 0.40921891192590 0.23982793187492 158.925 > 129 130 Tb 0.05637988631569 0.90921891192590 0.23982793187492 158.925 > 129 131 Tb 0.94362011368431 0.15921891192590 0.26017206812508 158.925 > 131 132 Tb 0.94362011368431 0.65921891192590 0.26017206812508 158.925 > 131 133 Tb 0.94362011368431 0.09078108807410 0.76017206812508 158.925 > 133 134 Tb 0.94362011368431 0.59078108807410 0.76017206812508 158.925 > 133 135 Tb 0.05637988631569 0.34078108807410 0.73982793187492 158.925 > 135 136 Tb 0.05637988631569 0.84078108807410 0.73982793187492 158.925 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2981379 0.0000000 0.0196727 0.0000000 3.4174373 0.0000000 0.0196720 0.0000000 3.4522544 -------------------------- Born effective charges -------------------------- 1 B 2.2071103 0.0703393 -0.0805223 -0.0140837 2.5110460 0.2475944 -0.0696429 0.1543875 2.6979926 2 B 2.1264678 0.6659112 0.7412188 0.6106288 2.4397589 -0.3866791 0.6674648 -0.3768201 1.7766897 3 B 2.1264678 -0.6659112 0.7412188 -0.6106288 2.4397589 0.3866791 0.6674648 0.3768201 1.7766897 4 B 2.1264678 0.6659112 0.7412188 0.6106288 2.4397589 -0.3866791 0.6674648 -0.3768201 1.7766897 5 B 2.1264678 -0.6659112 0.7412188 -0.6106288 2.4397589 0.3866791 0.6674648 0.3768201 1.7766897 6 B 1.7776843 -0.4779850 -0.1465848 -0.6620794 1.9456921 -0.1216628 -0.3192365 -0.0330197 2.9598836 7 B 1.7776843 0.4779850 -0.1465848 0.6620794 1.9456921 0.1216628 -0.3192365 0.0330197 2.9598836 8 B 1.7776843 -0.4779850 -0.1465848 -0.6620794 1.9456921 -0.1216628 -0.3192365 -0.0330197 2.9598836 9 B 1.7776843 0.4779850 -0.1465848 0.6620794 1.9456921 0.1216628 -0.3192365 0.0330197 2.9598836 10 B 2.2071103 -0.0703393 -0.0805223 0.0140837 2.5110460 -0.2475944 -0.0696429 -0.1543875 2.6979926 11 B 2.2071103 0.0703393 -0.0805223 -0.0140837 2.5110460 0.2475944 -0.0696429 0.1543875 2.6979926 12 B 2.2071103 -0.0703393 -0.0805223 0.0140837 2.5110460 -0.2475944 -0.0696429 -0.1543875 2.6979926 13 B 2.5082614 -0.1771207 -0.1653789 -0.1497100 2.3699127 0.0212975 0.0441607 0.0764523 2.2746482 14 B 2.5082614 0.1771207 -0.1653789 0.1497100 2.3699127 -0.0212975 0.0441607 -0.0764523 2.2746482 15 B 2.5082614 -0.1771207 -0.1653789 -0.1497100 2.3699127 0.0212975 0.0441607 0.0764523 2.2746482 16 B 2.5082614 0.1771207 -0.1653789 0.1497100 2.3699127 -0.0212975 0.0441607 -0.0764523 2.2746482 17 B 2.7220229 -0.0069830 0.1245916 0.1089666 2.2862762 0.0110553 0.1272493 -0.1623878 2.5203311 18 B 2.7220229 0.0069830 0.1245916 -0.1089666 2.2862762 -0.0110553 0.1272493 0.1623878 2.5203311 19 B 2.7220229 -0.0069830 0.1245916 0.1089666 2.2862762 0.0110553 0.1272493 -0.1623878 2.5203311 20 B 2.7220229 0.0069830 0.1245916 -0.1089666 2.2862762 -0.0110553 0.1272493 0.1623878 2.5203311 21 O -2.0116771 0.2815631 -0.0063579 0.2966996 -1.8186045 0.4188558 -0.0769400 0.4075506 -1.6295688 22 O -1.6076244 -0.2908298 -0.1190385 -0.3518084 -2.2583386 0.1707631 -0.1341646 0.2146998 -1.6479733 23 O -1.6076244 0.2908298 -0.1190385 0.3518084 -2.2583386 -0.1707631 -0.1341646 -0.2146998 -1.6479733 24 O -1.6076244 -0.2908298 -0.1190385 -0.3518084 -2.2583386 0.1707631 -0.1341646 0.2146998 -1.6479733 25 O -1.6076244 0.2908298 -0.1190385 0.3518084 -2.2583386 -0.1707631 -0.1341646 -0.2146998 -1.6479733 26 O -1.3398425 -0.3453326 0.3602040 -0.5079362 -2.1672613 0.4157547 0.5083301 0.3573809 -2.3879326 27 O -1.3398425 0.3453326 0.3602040 0.5079362 -2.1672613 -0.4157547 0.5083301 -0.3573809 -2.3879326 28 O -1.3398425 -0.3453326 0.3602040 -0.5079362 -2.1672613 0.4157547 0.5083301 0.3573809 -2.3879326 29 O -2.0116771 -0.2815631 -0.0063579 -0.2966996 -1.8186045 -0.4188558 -0.0769400 -0.4075506 -1.6295688 30 O -1.3398425 0.3453326 0.3602040 0.5079362 -2.1672613 -0.4157547 0.5083301 -0.3573809 -2.3879326 31 O -2.0116771 -0.2815631 -0.0063579 -0.2966996 -1.8186045 -0.4188558 -0.0769400 -0.4075506 -1.6295688 32 O -2.0116771 0.2815631 -0.0063579 0.2966996 -1.8186045 0.4188558 -0.0769400 0.4075506 -1.6295688 33 O -1.4782082 -0.3295264 0.2276572 -0.3205668 -1.2248227 -0.3649967 0.1996105 -0.2240220 -2.5204266 34 O -1.4782082 0.3295264 0.2276572 0.3205668 -1.2248227 0.3649967 0.1996105 0.2240220 -2.5204266 35 O -1.4782082 -0.3295264 0.2276572 -0.3205668 -1.2248227 -0.3649967 0.1996105 -0.2240220 -2.5204266 36 O -1.4782082 0.3295264 0.2276572 0.3205668 -1.2248227 0.3649967 0.1996105 0.2240220 -2.5204266 37 O -1.3775880 0.4114497 -0.3221656 0.3559719 -2.1497473 -0.6496841 -0.2954872 -0.6663052 -1.5807793 38 O -1.3775880 -0.4114497 -0.3221656 -0.3559719 -2.1497473 0.6496841 -0.2954872 0.6663052 -1.5807793 39 O -1.3775880 0.4114497 -0.3221656 0.3559719 -2.1497473 -0.6496841 -0.2954872 -0.6663052 -1.5807793 40 O -1.3775880 -0.4114497 -0.3221656 -0.3559719 -2.1497473 0.6496841 -0.2954872 0.6663052 -1.5807793 41 O -1.7390101 -0.2879919 -0.5626534 -0.3053962 -1.7896589 -0.1638005 -0.5739652 -0.0213830 -1.7809035 42 O -1.7390101 0.2879919 -0.5626534 0.3053962 -1.7896589 0.1638005 -0.5739652 0.0213830 -1.7809035 43 O -1.7390101 -0.2879919 -0.5626534 -0.3053962 -1.7896589 -0.1638005 -0.5739652 -0.0213830 -1.7809035 44 O -1.7390101 0.2879919 -0.5626534 0.3053962 -1.7896589 0.1638005 -0.5739652 0.0213830 -1.7809035 45 O -2.0623448 -0.4324089 0.2893266 -0.4193665 -1.6472271 -0.0045915 0.1956286 0.0505231 -1.7691400 46 O -2.0623448 0.4324089 0.2893266 0.4193665 -1.6472271 0.0045915 0.1956286 -0.0505231 -1.7691400 47 O -2.0623448 -0.4324089 0.2893266 -0.4193665 -1.6472271 -0.0045915 0.1956286 0.0505231 -1.7691400 48 O -2.0623448 0.4324089 0.2893266 0.4193665 -1.6472271 0.0045915 0.1956286 -0.0505231 -1.7691400 49 O -1.9493626 0.3348965 -0.3030843 0.2595577 -1.6553743 0.4253682 -0.2839425 0.4281609 -1.9603857 50 O -1.9493626 -0.3348965 -0.3030843 -0.2595577 -1.6553743 -0.4253682 -0.2839425 -0.4281609 -1.9603857 51 O -1.9493626 0.3348965 -0.3030843 0.2595577 -1.6553743 0.4253682 -0.2839425 0.4281609 -1.9603857 52 O -2.0366459 -0.6155565 -0.5069247 -0.5526448 -1.7728889 0.0528802 -0.4738157 0.0370713 -1.4235776 53 O -1.6164758 0.6073256 0.4463427 0.5697662 -1.6839404 -0.1298439 0.4420417 -0.2427782 -1.9311342 54 O -1.6164758 -0.6073256 0.4463427 -0.5697662 -1.6839404 0.1298439 0.4420417 0.2427782 -1.9311342 55 O -1.6164758 0.6073256 0.4463427 0.5697662 -1.6839404 -0.1298439 0.4420417 -0.2427782 -1.9311342 56 O -1.6164758 -0.6073256 0.4463427 -0.5697662 -1.6839404 0.1298439 0.4420417 0.2427782 -1.9311342 57 O -2.0366459 0.6155565 -0.5069247 0.5526448 -1.7728889 -0.0528802 -0.4738157 -0.0370713 -1.4235776 58 O -2.0366459 -0.6155565 -0.5069247 -0.5526448 -1.7728889 0.0528802 -0.4738157 0.0370713 -1.4235776 59 O -2.0366459 0.6155565 -0.5069247 0.5526448 -1.7728889 -0.0528802 -0.4738157 -0.0370713 -1.4235776 60 O -1.9493626 -0.3348965 -0.3030843 -0.2595577 -1.6553743 -0.4253682 -0.2839425 -0.4281609 -1.9603857 61 Zn 2.0624967 0.0567452 -0.0455816 0.0793240 2.5785068 0.0478342 0.0018622 0.0459473 2.3935612 62 Zn 2.0624967 -0.0567452 -0.0455816 -0.0793240 2.5785068 -0.0478342 0.0018622 -0.0459473 2.3935612 63 Zn 2.0624967 0.0567452 -0.0455816 0.0793240 2.5785068 0.0478342 0.0018622 0.0459473 2.3935612 64 Zn 2.0624967 -0.0567452 -0.0455816 -0.0793240 2.5785068 -0.0478342 0.0018622 -0.0459473 2.3935612 65 Tb 3.8147358 -0.1158347 0.0689513 -0.0955716 4.0366714 0.3569974 0.0408469 0.3605343 4.0087152 66 Tb 3.8147358 0.1158347 0.0689513 0.0955716 4.0366714 -0.3569974 0.0408469 -0.3605343 4.0087152 67 Tb 3.8147358 -0.1158347 0.0689513 -0.0955716 4.0366714 0.3569974 0.0408469 0.3605343 4.0087152 68 Tb 3.8147358 0.1158347 0.0689513 0.0955716 4.0366714 -0.3569974 0.0408469 -0.3605343 4.0087152 ---------------------------------------------------------------------------- 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 3, 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 11, 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 43, 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 65, 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 73, 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 89, 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 97, 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 103, 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 105, 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 121, 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 129, 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:38:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:38:21]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.536079560529528 0.000000000000000 0.000000000000000 b 0.000000000000000 7.600402250000000 0.000000000000000 c -7.921530160868531 0.000000000000000 9.338727545801005 Atomic positions (fractional): 1 B 0.33600835713666 0.42646365998557 0.25484376430693 10.811 2 B 0.47632123916540 0.81106646183498 0.91232233963536 10.811 3 B 0.52367876083460 0.31106646183498 0.58767766036464 10.811 4 B 0.52367876083460 0.18893353816502 0.08767766036464 10.811 5 B 0.47632123916540 0.68893353816502 0.41232233963536 10.811 6 B 0.15103681816218 0.10371796252455 0.49096421106563 10.811 7 B 0.84896318183782 0.60371796252455 0.00903578893437 10.811 8 B 0.84896318183782 0.89628203747545 0.50903578893437 10.811 9 B 0.15103681816218 0.39628203747545 0.99096421106563 10.811 10 B 0.66399164286334 0.92646365998557 0.24515623569307 10.811 11 B 0.66399164286334 0.57353634001443 0.74515623569307 10.811 12 B 0.33600835713666 0.07353634001443 0.75484376430693 10.811 13 B 0.91522285563757 0.67473001723520 0.39575362404522 10.811 14 B 0.08477714436243 0.17473001723520 0.10424637595478 10.811 15 B 0.08477714436243 0.32526998276480 0.60424637595478 10.811 16 B 0.91522285563757 0.82526998276480 0.89575362404522 10.811 17 B 0.72015211810607 0.46916356245516 0.44342107792009 10.811 18 B 0.27984788189393 0.96916356245516 0.05657892207991 10.811 19 B 0.27984788189393 0.53083643754484 0.55657892207991 10.811 20 B 0.72015211810607 0.03083643754484 0.94342107792009 10.811 21 O 0.81400986550751 0.79718955725246 0.27399301338034 15.999 22 O 0.57948506857988 0.34976728521253 0.07021993815933 15.999 23 O 0.42051493142012 0.84976728521253 0.42978006184066 15.999 24 O 0.42051493142012 0.65023271478747 0.92978006184066 15.999 25 O 0.57948506857988 0.15023271478747 0.57021993815934 15.999 26 O 0.88510707456743 0.55645868496586 0.12935125815645 15.999 27 O 0.11489292543257 0.05645868496586 0.37064874184355 15.999 28 O 0.11489292543257 0.44354131503415 0.87064874184355 15.999 29 O 0.18599013449249 0.29718955725246 0.22600698661966 15.999 30 O 0.88510707456743 0.94354131503414 0.62935125815645 15.999 31 O 0.81400986550751 0.70281044274754 0.77399301338034 15.999 32 O 0.18599013449249 0.20281044274754 0.72600698661966 15.999 33 O 0.30592219973007 0.46733902023982 0.12291567274411 15.999 34 O 0.69407780026993 0.96733902023982 0.37708432725589 15.999 35 O 0.69407780026993 0.53266097976018 0.87708432725589 15.999 36 O 0.30592219973007 0.03266097976018 0.62291567274411 15.999 37 O 0.31052012373949 0.59323614261847 0.30144388287402 15.999 38 O 0.68947987626051 0.09323614261847 0.19855611712598 15.999 39 O 0.68947987626051 0.40676385738153 0.69855611712598 15.999 40 O 0.31052012373949 0.90676385738153 0.80144388287402 15.999 41 O 0.54216659467741 0.35196692372913 0.36214145055625 15.999 42 O 0.45783340532259 0.85196692372913 0.13785854944375 15.999 43 O 0.45783340532259 0.64803307627087 0.63785854944375 15.999 44 O 0.54216659467741 0.14803307627087 0.86214145055625 15.999 45 O 0.76495708295773 0.52947006723545 0.34897006275507 15.999 46 O 0.23504291704227 0.02947006723545 0.15102993724493 15.999 47 O 0.23504291704227 0.47052993276455 0.65102993724493 15.999 48 O 0.76495708295773 0.97052993276455 0.84897006275507 15.999 49 O 0.09636596467553 0.60652541562002 0.41955529339269 15.999 50 O 0.90363403532447 0.10652541562001 0.08044470660731 15.999 51 O 0.90363403532447 0.39347458437999 0.58044470660731 15.999 52 O 0.67212939282970 0.87286441130768 0.99054966736337 15.999 53 O 0.97643052693386 0.76696059319113 0.52276848981408 15.999 54 O 0.02356947306614 0.26696059319114 0.97723151018592 15.999 55 O 0.02356947306614 0.23303940680887 0.47723151018592 15.999 56 O 0.97643052693386 0.73303940680887 0.02276848981408 15.999 57 O 0.67212939282970 0.62713558869232 0.49054966736337 15.999 58 O 0.32787060717029 0.12713558869232 0.00945033263663 15.999 59 O 0.32787060717029 0.37286441130768 0.50945033263663 15.999 60 O 0.09636596467553 0.89347458437998 0.91955529339269 15.999 61 Zn 0.52070838995055 0.58994975318898 0.12753010491111 65.380 62 Zn 0.47929161004945 0.08994975318898 0.37246989508889 65.380 63 Zn 0.47929161004945 0.41005024681102 0.87246989508890 65.380 64 Zn 0.52070838995055 0.91005024681102 0.62753010491110 65.380 65 Tb 0.05637988631569 0.81843782385180 0.23982793187492 158.925 66 Tb 0.94362011368431 0.31843782385180 0.26017206812508 158.925 67 Tb 0.94362011368431 0.18156217614820 0.76017206812508 158.925 68 Tb 0.05637988631569 0.68156217614820 0.73982793187492 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.536079560529528 0.000000000000000 0.000000000000000 b 0.000000000000000 15.200804500000000 0.000000000000000 c -7.921530160868531 0.000000000000000 9.338727545801005 Atomic positions (fractional): 1 B 0.33600835713666 0.21323182999278 0.25484376430693 10.811 > 1 2 B 0.33600835713666 0.71323182999278 0.25484376430693 10.811 > 1 3 B 0.47632123916540 0.40553323091749 0.91232233963536 10.811 > 3 4 B 0.47632123916540 0.90553323091749 0.91232233963536 10.811 > 3 5 B 0.52367876083460 0.15553323091749 0.58767766036464 10.811 > 5 6 B 0.52367876083460 0.65553323091749 0.58767766036464 10.811 > 5 7 B 0.52367876083460 0.09446676908251 0.08767766036464 10.811 > 7 8 B 0.52367876083460 0.59446676908251 0.08767766036464 10.811 > 7 9 B 0.47632123916540 0.34446676908251 0.41232233963536 10.811 > 9 10 B 0.47632123916540 0.84446676908251 0.41232233963536 10.811 > 9 11 B 0.15103681816218 0.05185898126227 0.49096421106563 10.811 > 11 12 B 0.15103681816218 0.55185898126227 0.49096421106563 10.811 > 11 13 B 0.84896318183782 0.30185898126227 0.00903578893437 10.811 > 13 14 B 0.84896318183782 0.80185898126227 0.00903578893437 10.811 > 13 15 B 0.84896318183782 0.44814101873773 0.50903578893437 10.811 > 15 16 B 0.84896318183782 0.94814101873773 0.50903578893437 10.811 > 15 17 B 0.15103681816218 0.19814101873773 0.99096421106563 10.811 > 17 18 B 0.15103681816218 0.69814101873773 0.99096421106563 10.811 > 17 19 B 0.66399164286334 0.46323182999278 0.24515623569307 10.811 > 19 20 B 0.66399164286334 0.96323182999278 0.24515623569307 10.811 > 19 21 B 0.66399164286334 0.28676817000722 0.74515623569307 10.811 > 21 22 B 0.66399164286334 0.78676817000722 0.74515623569307 10.811 > 21 23 B 0.33600835713666 0.03676817000722 0.75484376430693 10.811 > 23 24 B 0.33600835713666 0.53676817000722 0.75484376430693 10.811 > 23 25 B 0.91522285563757 0.33736500861760 0.39575362404522 10.811 > 25 26 B 0.91522285563757 0.83736500861760 0.39575362404522 10.811 > 25 27 B 0.08477714436243 0.08736500861760 0.10424637595478 10.811 > 27 28 B 0.08477714436243 0.58736500861760 0.10424637595478 10.811 > 27 29 B 0.08477714436243 0.16263499138240 0.60424637595478 10.811 > 29 30 B 0.08477714436243 0.66263499138240 0.60424637595478 10.811 > 29 31 B 0.91522285563757 0.41263499138240 0.89575362404522 10.811 > 31 32 B 0.91522285563757 0.91263499138240 0.89575362404522 10.811 > 31 33 B 0.72015211810607 0.23458178122758 0.44342107792009 10.811 > 33 34 B 0.72015211810607 0.73458178122758 0.44342107792009 10.811 > 33 35 B 0.27984788189393 0.48458178122758 0.05657892207991 10.811 > 35 36 B 0.27984788189393 0.98458178122758 0.05657892207991 10.811 > 35 37 B 0.27984788189393 0.26541821877242 0.55657892207991 10.811 > 37 38 B 0.27984788189393 0.76541821877242 0.55657892207991 10.811 > 37 39 B 0.72015211810607 0.01541821877242 0.94342107792009 10.811 > 39 40 B 0.72015211810607 0.51541821877242 0.94342107792009 10.811 > 39 41 O 0.81400986550751 0.39859477862623 0.27399301338034 15.999 > 41 42 O 0.81400986550751 0.89859477862623 0.27399301338034 15.999 > 41 43 O 0.57948506857988 0.17488364260627 0.07021993815933 15.999 > 43 44 O 0.57948506857988 0.67488364260627 0.07021993815933 15.999 > 43 45 O 0.42051493142012 0.42488364260627 0.42978006184066 15.999 > 45 46 O 0.42051493142012 0.92488364260627 0.42978006184066 15.999 > 45 47 O 0.42051493142012 0.32511635739373 0.92978006184066 15.999 > 47 48 O 0.42051493142012 0.82511635739373 0.92978006184066 15.999 > 47 49 O 0.57948506857988 0.07511635739373 0.57021993815934 15.999 > 49 50 O 0.57948506857988 0.57511635739373 0.57021993815934 15.999 > 49 51 O 0.88510707456743 0.27822934248293 0.12935125815645 15.999 > 51 52 O 0.88510707456743 0.77822934248293 0.12935125815645 15.999 > 51 53 O 0.11489292543257 0.02822934248293 0.37064874184355 15.999 > 53 54 O 0.11489292543257 0.52822934248293 0.37064874184355 15.999 > 53 55 O 0.11489292543257 0.22177065751707 0.87064874184355 15.999 > 55 56 O 0.11489292543257 0.72177065751707 0.87064874184355 15.999 > 55 57 O 0.18599013449249 0.14859477862623 0.22600698661966 15.999 > 57 58 O 0.18599013449249 0.64859477862623 0.22600698661966 15.999 > 57 59 O 0.88510707456743 0.47177065751707 0.62935125815645 15.999 > 59 60 O 0.88510707456743 0.97177065751707 0.62935125815645 15.999 > 59 61 O 0.81400986550751 0.35140522137377 0.77399301338034 15.999 > 61 62 O 0.81400986550751 0.85140522137377 0.77399301338034 15.999 > 61 63 O 0.18599013449249 0.10140522137377 0.72600698661966 15.999 > 63 64 O 0.18599013449249 0.60140522137377 0.72600698661966 15.999 > 63 65 O 0.30592219973007 0.23366951011991 0.12291567274411 15.999 > 65 66 O 0.30592219973007 0.73366951011991 0.12291567274411 15.999 > 65 67 O 0.69407780026993 0.48366951011991 0.37708432725589 15.999 > 67 68 O 0.69407780026993 0.98366951011991 0.37708432725589 15.999 > 67 69 O 0.69407780026993 0.26633048988009 0.87708432725589 15.999 > 69 70 O 0.69407780026993 0.76633048988009 0.87708432725589 15.999 > 69 71 O 0.30592219973007 0.01633048988009 0.62291567274411 15.999 > 71 72 O 0.30592219973007 0.51633048988009 0.62291567274411 15.999 > 71 73 O 0.31052012373949 0.29661807130923 0.30144388287402 15.999 > 73 74 O 0.31052012373949 0.79661807130923 0.30144388287402 15.999 > 73 75 O 0.68947987626051 0.04661807130923 0.19855611712598 15.999 > 75 76 O 0.68947987626051 0.54661807130923 0.19855611712598 15.999 > 75 77 O 0.68947987626051 0.20338192869077 0.69855611712598 15.999 > 77 78 O 0.68947987626051 0.70338192869077 0.69855611712598 15.999 > 77 79 O 0.31052012373949 0.45338192869077 0.80144388287402 15.999 > 79 80 O 0.31052012373949 0.95338192869077 0.80144388287402 15.999 > 79 81 O 0.54216659467741 0.17598346186456 0.36214145055625 15.999 > 81 82 O 0.54216659467741 0.67598346186456 0.36214145055625 15.999 > 81 83 O 0.45783340532259 0.42598346186456 0.13785854944375 15.999 > 83 84 O 0.45783340532259 0.92598346186456 0.13785854944375 15.999 > 83 85 O 0.45783340532259 0.32401653813544 0.63785854944375 15.999 > 85 86 O 0.45783340532259 0.82401653813544 0.63785854944375 15.999 > 85 87 O 0.54216659467741 0.07401653813544 0.86214145055625 15.999 > 87 88 O 0.54216659467741 0.57401653813544 0.86214145055625 15.999 > 87 89 O 0.76495708295773 0.26473503361773 0.34897006275507 15.999 > 89 90 O 0.76495708295773 0.76473503361773 0.34897006275507 15.999 > 89 91 O 0.23504291704227 0.01473503361773 0.15102993724493 15.999 > 91 92 O 0.23504291704227 0.51473503361773 0.15102993724493 15.999 > 91 93 O 0.23504291704227 0.23526496638227 0.65102993724493 15.999 > 93 94 O 0.23504291704227 0.73526496638227 0.65102993724493 15.999 > 93 95 O 0.76495708295773 0.48526496638227 0.84897006275507 15.999 > 95 96 O 0.76495708295773 0.98526496638227 0.84897006275507 15.999 > 95 97 O 0.09636596467553 0.30326270781001 0.41955529339269 15.999 > 97 98 O 0.09636596467553 0.80326270781001 0.41955529339269 15.999 > 97 99 O 0.90363403532447 0.05326270781001 0.08044470660731 15.999 > 99 100 O 0.90363403532447 0.55326270781001 0.08044470660731 15.999 > 99 101 O 0.90363403532447 0.19673729218999 0.58044470660731 15.999 > 101 102 O 0.90363403532447 0.69673729218999 0.58044470660731 15.999 > 101 103 O 0.67212939282970 0.43643220565384 0.99054966736337 15.999 > 103 104 O 0.67212939282970 0.93643220565384 0.99054966736337 15.999 > 103 105 O 0.97643052693386 0.38348029659557 0.52276848981408 15.999 > 105 106 O 0.97643052693386 0.88348029659557 0.52276848981408 15.999 > 105 107 O 0.02356947306614 0.13348029659557 0.97723151018592 15.999 > 107 108 O 0.02356947306614 0.63348029659557 0.97723151018592 15.999 > 107 109 O 0.02356947306614 0.11651970340443 0.47723151018592 15.999 > 109 110 O 0.02356947306614 0.61651970340443 0.47723151018592 15.999 > 109 111 O 0.97643052693386 0.36651970340443 0.02276848981408 15.999 > 111 112 O 0.97643052693386 0.86651970340443 0.02276848981408 15.999 > 111 113 O 0.67212939282970 0.31356779434616 0.49054966736337 15.999 > 113 114 O 0.67212939282970 0.81356779434616 0.49054966736337 15.999 > 113 115 O 0.32787060717029 0.06356779434616 0.00945033263663 15.999 > 115 116 O 0.32787060717029 0.56356779434616 0.00945033263663 15.999 > 115 117 O 0.32787060717029 0.18643220565384 0.50945033263663 15.999 > 117 118 O 0.32787060717029 0.68643220565384 0.50945033263663 15.999 > 117 119 O 0.09636596467553 0.44673729218999 0.91955529339269 15.999 > 119 120 O 0.09636596467553 0.94673729218999 0.91955529339269 15.999 > 119 121 Zn 0.52070838995055 0.29497487659449 0.12753010491111 65.380 > 121 122 Zn 0.52070838995055 0.79497487659449 0.12753010491111 65.380 > 121 123 Zn 0.47929161004945 0.04497487659449 0.37246989508889 65.380 > 123 124 Zn 0.47929161004945 0.54497487659449 0.37246989508889 65.380 > 123 125 Zn 0.47929161004945 0.20502512340551 0.87246989508890 65.380 > 125 126 Zn 0.47929161004945 0.70502512340551 0.87246989508890 65.380 > 125 127 Zn 0.52070838995055 0.45502512340551 0.62753010491110 65.380 > 127 128 Zn 0.52070838995055 0.95502512340551 0.62753010491110 65.380 > 127 129 Tb 0.05637988631569 0.40921891192590 0.23982793187492 158.925 > 129 130 Tb 0.05637988631569 0.90921891192590 0.23982793187492 158.925 > 129 131 Tb 0.94362011368431 0.15921891192590 0.26017206812508 158.925 > 131 132 Tb 0.94362011368431 0.65921891192590 0.26017206812508 158.925 > 131 133 Tb 0.94362011368431 0.09078108807410 0.76017206812508 158.925 > 133 134 Tb 0.94362011368431 0.59078108807410 0.76017206812508 158.925 > 133 135 Tb 0.05637988631569 0.34078108807410 0.73982793187492 158.925 > 135 136 Tb 0.05637988631569 0.84078108807410 0.73982793187492 158.925 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2981379 0.0000000 0.0196727 0.0000000 3.4174373 0.0000000 0.0196720 0.0000000 3.4522544 -------------------------- Born effective charges -------------------------- 1 B 2.2071103 0.0703393 -0.0805223 -0.0140837 2.5110460 0.2475944 -0.0696429 0.1543875 2.6979926 2 B 2.1264678 0.6659112 0.7412188 0.6106288 2.4397589 -0.3866791 0.6674648 -0.3768201 1.7766897 3 B 2.1264678 -0.6659112 0.7412188 -0.6106288 2.4397589 0.3866791 0.6674648 0.3768201 1.7766897 4 B 2.1264678 0.6659112 0.7412188 0.6106288 2.4397589 -0.3866791 0.6674648 -0.3768201 1.7766897 5 B 2.1264678 -0.6659112 0.7412188 -0.6106288 2.4397589 0.3866791 0.6674648 0.3768201 1.7766897 6 B 1.7776843 -0.4779850 -0.1465848 -0.6620794 1.9456921 -0.1216628 -0.3192365 -0.0330197 2.9598836 7 B 1.7776843 0.4779850 -0.1465848 0.6620794 1.9456921 0.1216628 -0.3192365 0.0330197 2.9598836 8 B 1.7776843 -0.4779850 -0.1465848 -0.6620794 1.9456921 -0.1216628 -0.3192365 -0.0330197 2.9598836 9 B 1.7776843 0.4779850 -0.1465848 0.6620794 1.9456921 0.1216628 -0.3192365 0.0330197 2.9598836 10 B 2.2071103 -0.0703393 -0.0805223 0.0140837 2.5110460 -0.2475944 -0.0696429 -0.1543875 2.6979926 11 B 2.2071103 0.0703393 -0.0805223 -0.0140837 2.5110460 0.2475944 -0.0696429 0.1543875 2.6979926 12 B 2.2071103 -0.0703393 -0.0805223 0.0140837 2.5110460 -0.2475944 -0.0696429 -0.1543875 2.6979926 13 B 2.5082614 -0.1771207 -0.1653789 -0.1497100 2.3699127 0.0212975 0.0441607 0.0764523 2.2746482 14 B 2.5082614 0.1771207 -0.1653789 0.1497100 2.3699127 -0.0212975 0.0441607 -0.0764523 2.2746482 15 B 2.5082614 -0.1771207 -0.1653789 -0.1497100 2.3699127 0.0212975 0.0441607 0.0764523 2.2746482 16 B 2.5082614 0.1771207 -0.1653789 0.1497100 2.3699127 -0.0212975 0.0441607 -0.0764523 2.2746482 17 B 2.7220229 -0.0069830 0.1245916 0.1089666 2.2862762 0.0110553 0.1272493 -0.1623878 2.5203311 18 B 2.7220229 0.0069830 0.1245916 -0.1089666 2.2862762 -0.0110553 0.1272493 0.1623878 2.5203311 19 B 2.7220229 -0.0069830 0.1245916 0.1089666 2.2862762 0.0110553 0.1272493 -0.1623878 2.5203311 20 B 2.7220229 0.0069830 0.1245916 -0.1089666 2.2862762 -0.0110553 0.1272493 0.1623878 2.5203311 21 O -2.0116771 0.2815631 -0.0063579 0.2966996 -1.8186045 0.4188558 -0.0769400 0.4075506 -1.6295688 22 O -1.6076244 -0.2908298 -0.1190385 -0.3518084 -2.2583386 0.1707631 -0.1341646 0.2146998 -1.6479733 23 O -1.6076244 0.2908298 -0.1190385 0.3518084 -2.2583386 -0.1707631 -0.1341646 -0.2146998 -1.6479733 24 O -1.6076244 -0.2908298 -0.1190385 -0.3518084 -2.2583386 0.1707631 -0.1341646 0.2146998 -1.6479733 25 O -1.6076244 0.2908298 -0.1190385 0.3518084 -2.2583386 -0.1707631 -0.1341646 -0.2146998 -1.6479733 26 O -1.3398425 -0.3453326 0.3602040 -0.5079362 -2.1672613 0.4157547 0.5083301 0.3573809 -2.3879326 27 O -1.3398425 0.3453326 0.3602040 0.5079362 -2.1672613 -0.4157547 0.5083301 -0.3573809 -2.3879326 28 O -1.3398425 -0.3453326 0.3602040 -0.5079362 -2.1672613 0.4157547 0.5083301 0.3573809 -2.3879326 29 O -2.0116771 -0.2815631 -0.0063579 -0.2966996 -1.8186045 -0.4188558 -0.0769400 -0.4075506 -1.6295688 30 O -1.3398425 0.3453326 0.3602040 0.5079362 -2.1672613 -0.4157547 0.5083301 -0.3573809 -2.3879326 31 O -2.0116771 -0.2815631 -0.0063579 -0.2966996 -1.8186045 -0.4188558 -0.0769400 -0.4075506 -1.6295688 32 O -2.0116771 0.2815631 -0.0063579 0.2966996 -1.8186045 0.4188558 -0.0769400 0.4075506 -1.6295688 33 O -1.4782082 -0.3295264 0.2276572 -0.3205668 -1.2248227 -0.3649967 0.1996105 -0.2240220 -2.5204266 34 O -1.4782082 0.3295264 0.2276572 0.3205668 -1.2248227 0.3649967 0.1996105 0.2240220 -2.5204266 35 O -1.4782082 -0.3295264 0.2276572 -0.3205668 -1.2248227 -0.3649967 0.1996105 -0.2240220 -2.5204266 36 O -1.4782082 0.3295264 0.2276572 0.3205668 -1.2248227 0.3649967 0.1996105 0.2240220 -2.5204266 37 O -1.3775880 0.4114497 -0.3221656 0.3559719 -2.1497473 -0.6496841 -0.2954872 -0.6663052 -1.5807793 38 O -1.3775880 -0.4114497 -0.3221656 -0.3559719 -2.1497473 0.6496841 -0.2954872 0.6663052 -1.5807793 39 O -1.3775880 0.4114497 -0.3221656 0.3559719 -2.1497473 -0.6496841 -0.2954872 -0.6663052 -1.5807793 40 O -1.3775880 -0.4114497 -0.3221656 -0.3559719 -2.1497473 0.6496841 -0.2954872 0.6663052 -1.5807793 41 O -1.7390101 -0.2879919 -0.5626534 -0.3053962 -1.7896589 -0.1638005 -0.5739652 -0.0213830 -1.7809035 42 O -1.7390101 0.2879919 -0.5626534 0.3053962 -1.7896589 0.1638005 -0.5739652 0.0213830 -1.7809035 43 O -1.7390101 -0.2879919 -0.5626534 -0.3053962 -1.7896589 -0.1638005 -0.5739652 -0.0213830 -1.7809035 44 O -1.7390101 0.2879919 -0.5626534 0.3053962 -1.7896589 0.1638005 -0.5739652 0.0213830 -1.7809035 45 O -2.0623448 -0.4324089 0.2893266 -0.4193665 -1.6472271 -0.0045915 0.1956286 0.0505231 -1.7691400 46 O -2.0623448 0.4324089 0.2893266 0.4193665 -1.6472271 0.0045915 0.1956286 -0.0505231 -1.7691400 47 O -2.0623448 -0.4324089 0.2893266 -0.4193665 -1.6472271 -0.0045915 0.1956286 0.0505231 -1.7691400 48 O -2.0623448 0.4324089 0.2893266 0.4193665 -1.6472271 0.0045915 0.1956286 -0.0505231 -1.7691400 49 O -1.9493626 0.3348965 -0.3030843 0.2595577 -1.6553743 0.4253682 -0.2839425 0.4281609 -1.9603857 50 O -1.9493626 -0.3348965 -0.3030843 -0.2595577 -1.6553743 -0.4253682 -0.2839425 -0.4281609 -1.9603857 51 O -1.9493626 0.3348965 -0.3030843 0.2595577 -1.6553743 0.4253682 -0.2839425 0.4281609 -1.9603857 52 O -2.0366459 -0.6155565 -0.5069247 -0.5526448 -1.7728889 0.0528802 -0.4738157 0.0370713 -1.4235776 53 O -1.6164758 0.6073256 0.4463427 0.5697662 -1.6839404 -0.1298439 0.4420417 -0.2427782 -1.9311342 54 O -1.6164758 -0.6073256 0.4463427 -0.5697662 -1.6839404 0.1298439 0.4420417 0.2427782 -1.9311342 55 O -1.6164758 0.6073256 0.4463427 0.5697662 -1.6839404 -0.1298439 0.4420417 -0.2427782 -1.9311342 56 O -1.6164758 -0.6073256 0.4463427 -0.5697662 -1.6839404 0.1298439 0.4420417 0.2427782 -1.9311342 57 O -2.0366459 0.6155565 -0.5069247 0.5526448 -1.7728889 -0.0528802 -0.4738157 -0.0370713 -1.4235776 58 O -2.0366459 -0.6155565 -0.5069247 -0.5526448 -1.7728889 0.0528802 -0.4738157 0.0370713 -1.4235776 59 O -2.0366459 0.6155565 -0.5069247 0.5526448 -1.7728889 -0.0528802 -0.4738157 -0.0370713 -1.4235776 60 O -1.9493626 -0.3348965 -0.3030843 -0.2595577 -1.6553743 -0.4253682 -0.2839425 -0.4281609 -1.9603857 61 Zn 2.0624967 0.0567452 -0.0455816 0.0793240 2.5785068 0.0478342 0.0018622 0.0459473 2.3935612 62 Zn 2.0624967 -0.0567452 -0.0455816 -0.0793240 2.5785068 -0.0478342 0.0018622 -0.0459473 2.3935612 63 Zn 2.0624967 0.0567452 -0.0455816 0.0793240 2.5785068 0.0478342 0.0018622 0.0459473 2.3935612 64 Zn 2.0624967 -0.0567452 -0.0455816 -0.0793240 2.5785068 -0.0478342 0.0018622 -0.0459473 2.3935612 65 Tb 3.8147358 -0.1158347 0.0689513 -0.0955716 4.0366714 0.3569974 0.0408469 0.3605343 4.0087152 66 Tb 3.8147358 0.1158347 0.0689513 0.0955716 4.0366714 -0.3569974 0.0408469 -0.3605343 4.0087152 67 Tb 3.8147358 -0.1158347 0.0689513 -0.0955716 4.0366714 0.3569974 0.0408469 0.3605343 4.0087152 68 Tb 3.8147358 0.1158347 0.0689513 0.0955716 4.0366714 -0.3569974 0.0408469 -0.3605343 4.0087152 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 8 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 299, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 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 1.893 ( 0.000 0.000 0.000) 0.000 2.420 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.646 ( 0.000 0.000 0.000) 0.000 3.023 ( 0.000 0.000 0.000) 0.000 3.104 ( 0.000 0.000 0.000) 0.000 3.144 ( 0.000 0.000 0.000) 0.000 3.442 ( 0.000 0.000 0.000) 0.000 3.524 ( 0.000 0.000 0.000) 0.000 3.552 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 4.073 ( 0.000 0.000 0.000) 0.000 4.147 ( 0.000 0.000 0.000) 0.000 4.259 ( 0.000 0.000 0.000) 0.000 4.378 ( 0.000 0.000 0.000) 0.000 4.553 ( 0.000 0.000 0.000) 0.000 4.896 ( 0.000 0.000 0.000) 0.000 4.986 ( 0.000 0.000 0.000) 0.000 5.035 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.125 ( 0.000 0.000 0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 5.384 ( 0.000 0.000 0.000) 0.000 5.454 ( 0.000 0.000 0.000) 0.000 5.559 ( 0.000 0.000 0.000) 0.000 5.770 ( 0.000 0.000 0.000) 0.000 5.937 ( 0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 0.000) 0.000 6.069 ( 0.000 0.000 0.000) 0.000 6.168 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.435 ( 0.000 0.000 0.000) 0.000 6.638 ( 0.000 0.000 0.000) 0.000 6.763 ( 0.000 0.000 0.000) 0.000 7.044 ( 0.000 0.000 0.000) 0.000 7.086 ( 0.000 0.000 0.000) 0.000 7.091 ( 0.000 0.000 0.000) 0.000 7.162 ( 0.000 0.000 0.000) 0.000 7.529 ( 0.000 0.000 0.000) 0.000 7.639 ( 0.000 0.000 0.000) 0.000 7.719 ( 0.000 0.000 0.000) 0.000 7.775 ( 0.000 0.000 0.000) 0.000 8.029 ( 0.000 0.000 0.000) 0.000 8.051 ( 0.000 0.000 0.000) 0.000 8.285 ( 0.000 0.000 0.000) 0.000 8.331 ( 0.000 0.000 0.000) 0.000 8.705 ( 0.000 0.000 0.000) 0.000 8.999 ( 0.000 0.000 0.000) 0.000 9.120 ( 0.000 0.000 0.000) 0.000 9.171 ( 0.000 0.000 0.000) 0.000 9.241 ( 0.000 0.000 0.000) 0.000 9.376 ( 0.000 0.000 0.000) 0.000 9.464 ( 0.000 0.000 0.000) 0.000 9.661 ( 0.000 0.000 0.000) 0.000 9.694 ( 0.000 0.000 0.000) 0.000 9.901 ( 0.000 0.000 0.000) 0.000 9.946 ( 0.000 0.000 0.000) 0.000 10.148 ( 0.000 0.000 0.000) 0.000 10.175 ( 0.000 0.000 0.000) 0.000 10.448 ( 0.000 0.000 0.000) 0.000 10.617 ( 0.000 0.000 0.000) 0.000 10.677 ( 0.000 0.000 0.000) 0.000 10.698 ( 0.000 0.000 0.000) 0.000 10.835 ( 0.000 0.000 0.000) 0.000 11.331 ( 0.000 0.000 0.000) 0.000 11.489 ( 0.000 0.000 0.000) 0.000 11.656 ( 0.000 0.000 0.000) 0.000 11.787 ( 0.000 0.000 0.000) 0.000 11.914 ( 0.000 0.000 0.000) 0.000 11.915 ( 0.000 0.000 0.000) 0.000 12.372 ( 0.000 0.000 0.000) 0.000 12.432 ( 0.000 0.000 0.000) 0.000 12.533 ( 0.000 0.000 0.000) 0.000 12.621 ( 0.000 0.000 0.000) 0.000 12.813 ( 0.000 0.000 0.000) 0.000 13.015 ( 0.000 0.000 0.000) 0.000 13.064 ( 0.000 0.000 0.000) 0.000 13.198 ( 0.000 0.000 0.000) 0.000 13.303 ( 0.000 0.000 0.000) 0.000 13.442 ( 0.000 0.000 0.000) 0.000 13.569 ( 0.000 0.000 0.000) 0.000 13.665 ( 0.000 0.000 0.000) 0.000 13.976 ( 0.000 0.000 0.000) 0.000 14.301 ( 0.000 0.000 0.000) 0.000 14.481 ( 0.000 0.000 0.000) 0.000 14.710 ( 0.000 0.000 0.000) 0.000 15.141 ( 0.000 0.000 0.000) 0.000 15.212 ( 0.000 0.000 0.000) 0.000 15.213 ( 0.000 0.000 0.000) 0.000 15.305 ( 0.000 0.000 0.000) 0.000 15.401 ( 0.000 0.000 0.000) 0.000 15.654 ( 0.000 0.000 0.000) 0.000 15.733 ( 0.000 0.000 0.000) 0.000 16.205 ( 0.000 0.000 0.000) 0.000 16.304 ( 0.000 0.000 0.000) 0.000 16.689 ( 0.000 0.000 0.000) 0.000 16.732 ( 0.000 0.000 0.000) 0.000 16.803 ( 0.000 0.000 0.000) 0.000 16.877 ( 0.000 0.000 0.000) 0.000 17.250 ( 0.000 0.000 0.000) 0.000 17.278 ( 0.000 0.000 0.000) 0.000 17.554 ( 0.000 0.000 0.000) 0.000 17.710 ( 0.000 0.000 0.000) 0.000 17.988 ( 0.000 0.000 0.000) 0.000 18.078 ( 0.000 0.000 0.000) 0.000 18.216 ( 0.000 0.000 0.000) 0.000 18.386 ( 0.000 0.000 0.000) 0.000 18.480 ( 0.000 0.000 0.000) 0.000 18.727 ( 0.000 0.000 0.000) 0.000 18.864 ( 0.000 0.000 0.000) 0.000 19.051 ( 0.000 0.000 0.000) 0.000 19.268 ( 0.000 0.000 0.000) 0.000 19.340 ( 0.000 0.000 0.000) 0.000 19.341 ( 0.000 0.000 0.000) 0.000 19.371 ( 0.000 0.000 0.000) 0.000 19.624 ( 0.000 0.000 0.000) 0.000 19.724 ( 0.000 0.000 0.000) 0.000 19.822 ( 0.000 0.000 0.000) 0.000 19.826 ( 0.000 0.000 0.000) 0.000 19.900 ( 0.000 0.000 0.000) 0.000 20.286 ( 0.000 0.000 0.000) 0.000 20.776 ( 0.000 0.000 0.000) 0.000 21.128 ( 0.000 0.000 0.000) 0.000 21.305 ( 0.000 0.000 0.000) 0.000 21.447 ( 0.000 0.000 0.000) 0.000 22.078 ( 0.000 0.000 0.000) 0.000 22.094 ( 0.000 0.000 0.000) 0.000 22.212 ( 0.000 0.000 0.000) 0.000 22.379 ( 0.000 0.000 0.000) 0.000 22.420 ( 0.000 0.000 0.000) 0.000 22.564 ( 0.000 0.000 0.000) 0.000 22.706 ( 0.000 0.000 0.000) 0.000 23.158 ( 0.000 0.000 0.000) 0.000 23.403 ( 0.000 0.000 0.000) 0.000 23.942 ( 0.000 0.000 0.000) 0.000 24.776 ( 0.000 0.000 0.000) 0.000 24.834 ( 0.000 0.000 0.000) 0.000 24.935 ( 0.000 0.000 0.000) 0.000 25.137 ( 0.000 0.000 0.000) 0.000 25.420 ( 0.000 0.000 0.000) 0.000 25.689 ( 0.000 0.000 0.000) 0.000 26.576 ( 0.000 0.000 0.000) 0.000 26.630 ( 0.000 0.000 0.000) 0.000 26.710 ( 0.000 0.000 0.000) 0.000 26.848 ( 0.000 0.000 0.000) 0.000 27.179 ( 0.000 0.000 0.000) 0.000 27.377 ( 0.000 0.000 0.000) 0.000 27.727 ( 0.000 0.000 0.000) 0.000 27.769 ( 0.000 0.000 0.000) 0.000 27.868 ( 0.000 0.000 0.000) 0.000 28.081 ( 0.000 0.000 0.000) 0.000 28.105 ( 0.000 0.000 0.000) 0.000 28.214 ( 0.000 0.000 0.000) 0.000 28.372 ( 0.000 0.000 0.000) 0.000 28.400 ( 0.000 0.000 0.000) 0.000 28.481 ( 0.000 0.000 0.000) 0.000 28.848 ( 0.000 0.000 0.000) 0.000 28.907 ( 0.000 0.000 0.000) 0.000 29.034 ( 0.000 0.000 0.000) 0.000 29.083 ( 0.000 0.000 0.000) 0.000 29.567 ( 0.000 0.000 0.000) 0.000 29.778 ( 0.000 0.000 0.000) 0.000 29.889 ( 0.000 0.000 0.000) 0.000 29.925 ( 0.000 0.000 0.000) 0.000 30.299 ( 0.000 0.000 0.000) 0.000 30.618 ( 0.000 0.000 0.000) 0.000 30.767 ( 0.000 0.000 0.000) 0.000 31.241 ( 0.000 0.000 0.000) 0.000 31.691 ( 0.000 0.000 0.000) 0.000 31.701 ( 0.000 0.000 0.000) 0.000 31.716 ( 0.000 0.000 0.000) 0.000 32.014 ( 0.000 0.000 0.000) 0.000 32.225 ( 0.000 0.000 0.000) 0.000 32.267 ( 0.000 0.000 0.000) 0.000 32.685 ( 0.000 0.000 0.000) 0.000 32.921 ( 0.000 0.000 0.000) 0.000 33.166 ( 0.000 0.000 0.000) 0.000 33.183 ( 0.000 0.000 0.000) 0.000 33.337 ( 0.000 0.000 0.000) 0.000 33.375 ( 0.000 0.000 0.000) 0.000 33.728 ( 0.000 0.000 0.000) 0.000 33.787 ( 0.000 0.000 0.000) 0.000 38.498 ( 0.000 0.000 0.000) 0.000 38.610 ( 0.000 0.000 0.000) 0.000 38.724 ( 0.000 0.000 0.000) 0.000 38.848 ( 0.000 0.000 0.000) 0.000 39.504 ( 0.000 0.000 0.000) 0.000 39.738 ( 0.000 0.000 0.000) 0.000 39.752 ( 0.000 0.000 0.000) 0.000 40.067 ( 0.000 0.000 0.000) 0.000 41.523 ( 0.000 0.000 0.000) 0.000 41.551 ( 0.000 0.000 0.000) 0.000 41.695 ( 0.000 0.000 0.000) 0.000 41.813 ( 0.000 0.000 0.000) 0.000 42.561 ( 0.000 0.000 0.000) 0.000 42.681 ( 0.000 0.000 0.000) 0.000 42.685 ( 0.000 0.000 0.000) 0.000 43.962 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 18.411 0.000 34.800) 39.370 0.836 ( 30.512 0.000 28.912) 42.034 1.404 ( 43.751 0.000 47.042) 64.242 1.915 ( 3.242 0.000 2.163) 3.897 2.412 ( -1.742 0.000 1.113) 2.067 2.520 ( -6.250 0.000 -10.850) 12.521 2.545 ( 8.514 0.000 8.066) 11.728 3.044 ( 0.634 0.000 1.604) 1.725 3.097 ( -4.240 0.000 -5.431) 6.890 3.221 ( 5.263 0.000 6.225) 8.151 3.289 ( -9.865 0.000 -2.827) 10.262 3.464 ( -5.781 0.000 -3.028) 6.526 3.499 ( -5.712 0.000 -1.776) 5.982 3.708 ( -5.982 0.000 -7.057) 9.251 3.777 ( 0.780 0.000 5.424) 5.479 3.960 ( -0.582 0.000 3.826) 3.870 4.138 ( -1.793 0.000 10.682) 10.831 4.198 ( -7.861 0.000 3.390) 8.560 4.304 ( 4.963 0.000 -8.208) 9.592 4.466 ( 3.285 0.000 -13.828) 14.213 4.499 ( 0.085 0.000 -7.520) 7.521 4.787 ( 1.692 0.000 -5.954) 6.190 4.853 ( -11.993 0.000 -5.087) 13.028 4.986 ( 0.047 0.000 -6.028) 6.029 5.004 ( 1.839 0.000 -10.394) 10.555 5.186 ( 0.754 0.000 3.832) 3.906 5.240 ( 1.466 0.000 2.509) 2.905 5.296 ( -1.068 0.000 -8.081) 8.151 5.472 ( 6.959 0.000 2.963) 7.563 5.663 ( 8.242 0.000 -1.403) 8.361 5.807 ( -5.844 0.000 11.297) 12.719 5.923 ( 9.229 0.000 8.129) 12.299 5.981 ( -10.647 0.000 10.070) 14.655 6.090 ( 7.700 0.000 -14.660) 16.559 6.205 ( -2.057 0.000 8.378) 8.627 6.217 ( -3.426 0.000 3.123) 4.636 6.538 ( 8.724 0.000 1.469) 8.847 6.574 ( -9.528 0.000 -1.734) 9.685 6.578 ( 22.966 0.000 -16.442) 28.245 6.755 ( 2.815 0.000 -2.621) 3.846 7.038 ( -6.680 0.000 3.110) 7.368 7.041 ( 3.805 0.000 -1.394) 4.053 7.074 ( -3.523 0.000 -2.318) 4.217 7.244 ( -16.696 0.000 -13.360) 21.384 7.341 ( -11.888 0.000 15.210) 19.305 7.609 ( -4.239 0.000 2.564) 4.954 7.663 ( -5.383 0.000 0.702) 5.429 7.816 ( -1.281 0.000 3.520) 3.746 7.965 ( -4.526 0.000 -6.838) 8.200 8.087 ( 4.568 0.000 3.482) 5.744 8.268 ( -2.987 0.000 -3.782) 4.819 8.446 ( 6.815 0.000 6.782) 9.615 8.782 ( 3.512 0.000 3.757) 5.142 8.795 ( -11.217 0.000 -3.943) 11.890 9.076 ( -5.452 0.000 -9.610) 11.049 9.177 ( 0.221 0.000 -3.172) 3.180 9.214 ( 2.790 0.000 -3.445) 4.433 9.416 ( 10.646 0.000 -0.838) 10.679 9.528 ( 3.215 0.000 0.336) 3.233 9.706 ( -2.104 0.000 0.092) 2.106 9.720 ( 3.140 0.000 1.139) 3.340 9.870 ( 3.161 0.000 -3.118) 4.440 9.967 ( 0.099 0.000 3.676) 3.677 10.167 ( -0.999 0.000 0.107) 1.005 10.233 ( 4.622 0.000 3.234) 5.641 10.513 ( 0.117 0.000 2.408) 2.410 10.603 ( -4.859 0.000 3.784) 6.158 10.630 ( 0.185 0.000 -4.536) 4.540 10.775 ( -1.092 0.000 10.396) 10.453 10.857 ( 1.578 0.000 3.121) 3.497 11.289 ( -9.349 0.000 3.785) 10.086 11.433 ( -6.362 0.000 0.052) 6.362 11.640 ( -3.393 0.000 1.038) 3.548 11.677 ( -8.714 0.000 -4.022) 9.597 11.925 ( 1.510 0.000 -0.694) 1.661 11.980 ( -0.399 0.000 3.801) 3.822 12.395 ( -0.667 0.000 -3.273) 3.340 12.432 ( 4.508 0.000 3.102) 5.472 12.587 ( 4.755 0.000 0.215) 4.760 12.590 ( -1.369 0.000 -3.641) 3.889 12.846 ( 3.286 0.000 0.634) 3.347 12.882 ( -6.666 0.000 -3.422) 7.494 13.158 ( 2.469 0.000 3.124) 3.982 13.222 ( -1.440 0.000 4.910) 5.117 13.279 ( -1.682 0.000 -0.199) 1.694 13.532 ( 6.803 0.000 3.970) 7.876 13.568 ( -1.678 0.000 1.513) 2.260 13.718 ( 1.593 0.000 -2.540) 2.998 14.132 ( 1.095 0.000 1.365) 1.750 14.324 ( 1.553 0.000 0.630) 1.676 14.501 ( 2.416 0.000 -0.133) 2.420 14.675 ( -2.777 0.000 -1.522) 3.167 15.005 ( -1.852 0.000 -6.383) 6.646 15.228 ( -5.842 0.000 2.822) 6.488 15.278 ( 4.282 0.000 -9.009) 9.975 15.327 ( -0.025 0.000 -1.458) 1.458 15.473 ( 8.561 0.000 7.916) 11.660 15.696 ( -0.273 0.000 -0.527) 0.594 15.804 ( 7.335 0.000 -1.677) 7.525 16.204 ( -0.172 0.000 -0.736) 0.756 16.248 ( -3.255 0.000 -1.769) 3.704 16.585 ( -1.297 0.000 -0.941) 1.602 16.694 ( -7.821 0.000 -8.028) 11.208 16.787 ( -5.425 0.000 -4.105) 6.803 16.996 ( 8.500 0.000 12.860) 15.416 17.227 ( -1.864 0.000 -1.558) 2.429 17.439 ( 3.193 0.000 6.649) 7.376 17.559 ( -0.084 0.000 -1.467) 1.470 17.686 ( -0.922 0.000 -1.213) 1.523 17.938 ( -1.278 0.000 -2.349) 2.674 18.131 ( -1.634 0.000 -3.345) 3.722 18.211 ( -13.453 0.000 -14.426) 19.725 18.306 ( 10.922 0.000 -4.233) 11.713 18.569 ( -1.053 0.000 -4.936) 5.047 18.832 ( 4.986 0.000 7.262) 8.809 18.899 ( 11.852 0.000 15.492) 19.506 19.011 ( -1.475 0.000 -1.780) 2.312 19.149 ( -4.162 0.000 -4.584) 6.192 19.245 ( -6.162 0.000 -7.074) 9.382 19.497 ( 1.481 0.000 6.952) 7.108 19.613 ( -2.842 0.000 -0.879) 2.975 19.726 ( -3.644 0.000 2.396) 4.361 19.751 ( 12.739 0.000 13.263) 18.390 19.825 ( -2.694 0.000 2.024) 3.369 19.879 ( 4.944 0.000 10.788) 11.867 20.072 ( 18.235 0.000 12.607) 22.169 20.171 ( -8.475 0.000 -10.365) 13.389 20.814 ( 3.062 0.000 -0.110) 3.064 21.036 ( -2.630 0.000 -6.402) 6.921 21.261 ( -12.778 0.000 -13.233) 18.395 21.514 ( 10.704 0.000 15.417) 18.769 22.136 ( 3.004 0.000 3.344) 4.495 22.141 ( 1.341 0.000 -3.029) 3.313 22.238 ( 0.874 0.000 2.849) 2.980 22.353 ( -2.976 0.000 -3.457) 4.562 22.429 ( 1.764 0.000 -0.250) 1.781 22.542 ( -2.323 0.000 -3.070) 3.850 22.745 ( 3.481 0.000 2.607) 4.349 22.775 ( -15.248 0.000 -13.495) 20.362 23.454 ( -23.066 0.000 -20.923) 31.142 23.821 ( 18.936 0.000 17.036) 25.471 24.734 ( -6.656 0.000 -8.306) 10.644 24.944 ( 0.218 0.000 1.407) 1.424 25.077 ( -4.092 0.000 -2.548) 4.821 25.265 ( 22.946 0.000 20.719) 30.916 25.491 ( 4.972 0.000 2.673) 5.645 25.790 ( 11.037 0.000 -10.222) 15.043 26.573 ( -12.327 0.000 -1.482) 12.416 26.610 ( -7.009 0.000 -1.372) 7.142 26.764 ( -2.523 0.000 -4.585) 5.234 26.800 ( 7.420 0.000 4.371) 8.612 27.205 ( 4.348 0.000 -0.798) 4.420 27.459 ( 5.738 0.000 2.521) 6.268 27.685 ( 1.203 0.000 -5.433) 5.564 27.754 ( -4.987 0.000 -1.083) 5.103 27.825 ( -2.998 0.000 -1.945) 3.573 28.076 ( -1.434 0.000 -0.791) 1.638 28.112 ( -0.577 0.000 4.296) 4.334 28.354 ( -0.850 0.000 -0.822) 1.183 28.359 ( -2.316 0.000 -1.875) 2.980 28.622 ( 10.135 0.000 11.615) 15.415 28.791 ( -0.643 0.000 -1.638) 1.760 28.930 ( -6.438 0.000 -6.117) 8.880 29.016 ( 4.897 0.000 7.803) 9.212 29.078 ( -0.078 0.000 -1.394) 1.396 29.513 ( -5.146 0.000 -3.850) 6.427 29.756 ( 0.425 0.000 3.589) 3.614 29.788 ( -13.177 0.000 -10.541) 16.874 29.868 ( -1.015 0.000 -1.526) 1.833 30.125 ( -10.769 0.000 -7.128) 12.915 30.341 ( -9.505 0.000 -15.491) 18.175 30.958 ( 10.944 0.000 10.263) 15.003 31.457 ( -10.505 0.000 -12.736) 16.510 31.477 ( 14.491 0.000 11.083) 18.244 31.708 ( -18.486 0.000 16.748) 24.945 31.749 ( 22.248 0.000 -34.809) 41.311 31.859 ( 9.663 0.000 10.256) 14.091 32.081 ( -6.262 0.000 -9.775) 11.609 32.107 ( 6.070 0.000 7.108) 9.347 32.490 ( 21.773 0.000 -11.239) 24.502 32.671 ( -4.948 0.000 6.219) 7.947 32.982 ( 6.373 0.000 -0.441) 6.389 33.099 ( -8.397 0.000 -2.431) 8.742 33.195 ( -2.713 0.000 8.024) 8.470 33.285 ( -0.759 0.000 -2.484) 2.597 33.398 ( 0.543 0.000 -0.840) 1.000 33.749 ( -3.438 0.000 4.184) 5.416 33.954 ( 11.965 0.000 10.451) 15.887 38.594 ( -3.559 0.000 1.730) 3.957 38.699 ( -6.969 0.000 0.098) 6.970 38.731 ( 2.874 0.000 -2.364) 3.721 38.956 ( -3.327 0.000 14.850) 15.218 39.507 ( 2.304 0.000 -2.220) 3.200 39.678 ( -3.520 0.000 -3.828) 5.200 39.789 ( 5.677 0.000 -10.478) 11.918 40.122 ( 2.886 0.000 3.876) 4.832 41.589 ( 2.821 0.000 2.397) 3.702 41.694 ( -1.198 0.000 1.064) 1.602 41.806 ( -0.555 0.000 -0.451) 0.715 42.576 ( 1.728 0.000 0.441) 1.783 42.619 ( 1.317 0.000 -6.536) 6.667 42.731 ( 7.857 0.000 -5.311) 9.484 43.347 ( -40.711 0.000 43.067) 59.264 43.912 ( -5.696 0.000 -1.284) 5.839 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 16.385 0.000 30.149) 34.314 1.558 ( 20.154 0.000 21.396) 29.393 1.910 ( -1.624 0.000 8.975) 9.121 2.171 ( -10.560 0.000 -22.859) 25.180 2.363 ( 14.360 0.000 19.557) 24.262 2.420 ( -1.581 0.000 5.165) 5.402 2.851 ( 5.164 0.000 -0.228) 5.169 2.913 ( 1.275 0.000 1.262) 1.794 2.985 ( -9.494 0.000 -0.986) 9.545 3.270 ( 6.734 0.000 5.489) 8.688 3.315 ( 1.469 0.000 5.369) 5.567 3.345 ( -3.549 0.000 -1.069) 3.707 3.455 ( -1.406 0.000 1.190) 1.842 3.583 ( -0.518 0.000 -3.615) 3.652 3.819 ( -1.721 0.000 1.910) 2.571 3.995 ( -2.392 0.000 3.185) 3.983 4.142 ( -5.308 0.000 3.065) 6.130 4.210 ( -7.415 0.000 8.670) 11.408 4.303 ( 6.576 0.000 -4.909) 8.207 4.336 ( -0.289 0.000 -5.287) 5.295 4.441 ( 4.477 0.000 -4.925) 6.656 4.618 ( -7.193 0.000 -6.641) 9.790 4.819 ( 6.574 0.000 -3.818) 7.603 4.864 ( -1.878 0.000 -12.961) 13.097 4.902 ( 0.626 0.000 -3.590) 3.645 5.184 ( -3.030 0.000 -1.131) 3.235 5.244 ( 1.402 0.000 -4.035) 4.271 5.299 ( 5.552 0.000 1.164) 5.673 5.594 ( 5.301 0.000 1.244) 5.445 5.785 ( 1.349 0.000 5.110) 5.285 5.893 ( -5.317 0.000 -0.348) 5.328 5.898 ( -0.694 0.000 10.463) 10.486 6.041 ( 11.320 0.000 -12.973) 17.218 6.053 ( 0.589 0.000 2.150) 2.229 6.227 ( -3.143 0.000 0.662) 3.212 6.291 ( 0.279 0.000 4.407) 4.416 6.326 ( -8.894 0.000 -5.081) 10.243 6.586 ( -0.325 0.000 -7.961) 7.968 6.708 ( 9.373 0.000 -2.060) 9.596 6.759 ( -8.417 0.000 -15.309) 17.470 6.814 ( 3.396 0.000 -1.519) 3.720 6.973 ( -8.220 0.000 -2.328) 8.543 7.138 ( 9.291 0.000 11.291) 14.622 7.233 ( -10.540 0.000 -2.839) 10.916 7.246 ( 3.762 0.000 10.990) 11.616 7.566 ( -5.814 0.000 -0.651) 5.850 7.645 ( 0.817 0.000 4.804) 4.873 7.736 ( -13.344 0.000 -4.904) 14.216 7.779 ( -3.660 0.000 -1.525) 3.965 8.144 ( -5.336 0.000 1.007) 5.430 8.265 ( 2.575 0.000 1.919) 3.211 8.516 ( -0.017 0.000 2.636) 2.636 8.740 ( 3.568 0.000 1.229) 3.774 8.783 ( -0.376 0.000 -8.061) 8.069 8.907 ( -1.344 0.000 -7.469) 7.589 9.104 ( -5.024 0.000 -0.782) 5.085 9.219 ( 1.581 0.000 -0.222) 1.597 9.516 ( 4.834 0.000 -7.683) 9.077 9.596 ( 9.681 0.000 -0.793) 9.713 9.714 ( 2.919 0.000 -1.669) 3.362 9.818 ( 2.354 0.000 6.298) 6.723 9.872 ( 0.763 0.000 -0.535) 0.932 10.004 ( 1.215 0.000 -1.774) 2.151 10.156 ( -1.310 0.000 0.953) 1.620 10.287 ( 0.596 0.000 1.643) 1.748 10.440 ( -7.510 0.000 -4.328) 8.668 10.596 ( -4.918 0.000 8.670) 9.968 10.622 ( 1.175 0.000 2.059) 2.371 10.901 ( -0.436 0.000 9.248) 9.259 10.963 ( 3.908 0.000 4.652) 6.076 11.196 ( -7.800 0.000 3.634) 8.605 11.326 ( -7.848 0.000 -0.332) 7.855 11.516 ( -6.943 0.000 -3.531) 7.789 11.628 ( -1.247 0.000 4.869) 5.026 11.914 ( -0.661 0.000 -2.551) 2.636 11.993 ( -0.177 0.000 -0.018) 0.178 12.357 ( 2.128 0.000 -4.835) 5.283 12.502 ( -2.308 0.000 -5.714) 6.162 12.527 ( 2.750 0.000 0.857) 2.881 12.648 ( 2.700 0.000 1.062) 2.901 12.801 ( 0.298 0.000 -1.284) 1.318 12.897 ( 1.236 0.000 1.244) 1.753 13.201 ( -0.257 0.000 2.105) 2.120 13.247 ( -3.864 0.000 4.660) 6.054 13.279 ( 0.961 0.000 1.286) 1.606 13.530 ( -5.229 0.000 -0.193) 5.233 13.703 ( 8.032 0.000 5.246) 9.594 13.713 ( 1.956 0.000 -2.807) 3.421 14.199 ( 3.605 0.000 4.561) 5.814 14.328 ( -1.631 0.000 -0.336) 1.665 14.550 ( 4.821 0.000 -0.049) 4.821 14.627 ( 0.379 0.000 -2.229) 2.261 14.955 ( 0.173 0.000 -0.077) 0.190 15.168 ( -1.418 0.000 -4.798) 5.004 15.253 ( -0.278 0.000 0.533) 0.601 15.272 ( 0.101 0.000 -5.101) 5.102 15.647 ( -2.279 0.000 -7.142) 7.497 15.688 ( 7.750 0.000 3.000) 8.311 15.750 ( -2.744 0.000 -9.866) 10.241 16.162 ( -3.102 0.000 -3.031) 4.336 16.324 ( 6.599 0.000 10.778) 12.638 16.445 ( -8.301 0.000 -5.416) 9.911 16.653 ( 6.072 0.000 6.152) 8.643 16.721 ( 0.263 0.000 -1.639) 1.660 17.148 ( -4.833 0.000 -3.038) 5.709 17.234 ( 4.874 0.000 7.919) 9.299 17.515 ( -2.266 0.000 -1.988) 3.015 17.627 ( 7.619 0.000 8.900) 11.716 17.687 ( 1.327 0.000 0.784) 1.541 17.820 ( -7.158 0.000 -7.771) 10.565 18.058 ( 3.242 0.000 3.676) 4.902 18.110 ( 2.061 0.000 2.530) 3.263 18.429 ( 8.019 0.000 1.137) 8.099 18.533 ( -0.575 0.000 -4.192) 4.231 18.747 ( -8.323 0.000 -6.643) 10.649 19.011 ( 5.615 0.000 5.931) 8.167 19.057 ( -5.520 0.000 -5.430) 7.743 19.081 ( -0.398 0.000 0.284) 0.488 19.402 ( 12.452 0.000 9.721) 15.797 19.469 ( -8.877 0.000 -9.857) 13.265 19.602 ( 3.551 0.000 8.406) 9.125 19.678 ( -7.905 0.000 -2.397) 8.260 19.772 ( -4.693 0.000 0.909) 4.780 19.882 ( 2.962 0.000 4.917) 5.740 19.920 ( -6.299 0.000 -7.746) 9.983 20.097 ( 4.177 0.000 8.577) 9.540 20.690 ( 20.431 0.000 17.246) 26.737 20.692 ( -16.527 0.000 -19.204) 25.337 20.932 ( -1.994 0.000 -4.038) 4.504 20.947 ( 3.154 0.000 -0.100) 3.155 21.930 ( 14.706 0.000 16.078) 21.789 21.970 ( -14.698 0.000 -14.869) 20.907 22.224 ( -3.455 0.000 -2.430) 4.224 22.242 ( 2.570 0.000 3.878) 4.653 22.328 ( 5.452 0.000 8.944) 10.475 22.395 ( -6.560 0.000 -4.030) 7.699 22.484 ( 4.480 0.000 2.268) 5.021 22.536 ( -3.604 0.000 -6.011) 7.008 22.914 ( 11.025 0.000 11.238) 15.743 23.079 ( -5.713 0.000 -5.313) 7.802 24.283 ( 16.305 0.000 15.162) 22.265 24.431 ( -13.681 0.000 -16.458) 21.402 24.971 ( 0.321 0.000 2.049) 2.074 24.992 ( -3.162 0.000 -1.883) 3.681 25.556 ( -0.914 0.000 -1.350) 1.631 25.599 ( 9.263 0.000 -5.436) 10.740 25.946 ( 2.870 0.000 11.055) 11.422 26.284 ( -16.051 0.000 -16.212) 22.814 26.413 ( -1.834 0.000 0.496) 1.900 26.785 ( 2.928 0.000 3.196) 4.335 26.975 ( 8.091 0.000 2.110) 8.362 27.261 ( 2.723 0.000 -2.135) 3.461 27.523 ( 2.445 0.000 -0.980) 2.634 27.562 ( -6.991 0.000 -6.985) 9.883 27.683 ( 2.235 0.000 -1.422) 2.649 27.851 ( 3.940 0.000 3.513) 5.279 28.074 ( -0.545 0.000 1.703) 1.788 28.161 ( -0.318 0.000 4.450) 4.462 28.298 ( -1.105 0.000 -3.031) 3.226 28.356 ( 0.920 0.000 1.662) 1.899 28.766 ( -5.497 0.000 -4.612) 7.176 28.817 ( 3.055 0.000 4.121) 5.130 28.891 ( 8.217 0.000 4.963) 9.599 29.020 ( -2.563 0.000 -7.756) 8.168 29.244 ( 9.079 0.000 13.283) 16.089 29.261 ( -15.121 0.000 -17.133) 22.852 29.320 ( -19.267 0.000 -12.605) 23.024 29.809 ( -2.517 0.000 5.775) 6.299 29.872 ( 5.195 0.000 0.688) 5.241 29.949 ( -4.486 0.000 -3.494) 5.686 30.096 ( -3.687 0.000 -8.335) 9.114 31.115 ( -14.569 0.000 -11.759) 18.722 31.308 ( 14.348 0.000 14.605) 20.474 31.505 ( 2.626 0.000 -31.406) 31.515 31.606 ( -15.606 0.000 5.828) 16.659 31.801 ( 11.398 0.000 8.810) 14.406 31.897 ( -6.511 0.000 -3.125) 7.222 32.110 ( 9.727 0.000 4.945) 10.912 32.331 ( 5.833 0.000 11.742) 13.110 32.603 ( 7.978 0.000 -6.641) 10.380 32.756 ( 1.580 0.000 11.178) 11.289 32.923 ( -8.607 0.000 -4.206) 9.579 33.056 ( 10.505 0.000 -8.195) 13.323 33.249 ( -1.195 0.000 -1.611) 2.005 33.283 ( -2.930 0.000 12.196) 12.543 33.384 ( 0.219 0.000 -1.275) 1.294 33.745 ( -0.777 0.000 -0.059) 0.779 34.341 ( 17.092 0.000 15.362) 22.981 38.552 ( -4.786 0.000 1.656) 5.065 38.611 ( -2.723 0.000 -2.600) 3.765 38.746 ( 3.474 0.000 -2.789) 4.455 39.093 ( -1.497 0.000 12.601) 12.690 39.514 ( 4.306 0.000 -4.637) 6.328 39.578 ( -3.420 0.000 -3.112) 4.623 39.729 ( -0.724 0.000 -4.701) 4.756 40.218 ( 3.012 0.000 4.090) 5.080 41.677 ( 3.727 0.000 3.416) 5.056 41.682 ( -2.601 0.000 1.323) 2.918 41.789 ( -0.671 0.000 -0.726) 0.989 42.555 ( -0.193 0.000 -4.977) 4.981 42.621 ( 2.907 0.000 1.135) 3.121 42.778 ( 7.267 0.000 -4.915) 8.773 43.268 ( -22.971 0.000 19.785) 30.317 43.769 ( -9.660 0.000 -3.152) 10.161 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -19.696 0.000 -22.274) 29.733 1.894 ( 9.775 0.000 12.059) 15.523 1.997 ( 2.221 0.000 13.202) 13.387 2.239 ( 23.361 0.000 2.976) 23.550 2.546 ( 2.128 0.000 15.087) 15.236 2.637 ( 4.221 0.000 10.525) 11.340 2.669 ( -7.459 0.000 -9.951) 12.436 2.870 ( -5.991 0.000 2.677) 6.562 2.983 ( -2.075 0.000 0.777) 2.216 3.279 ( -13.988 0.000 -9.659) 16.999 3.360 ( 2.656 0.000 4.258) 5.018 3.440 ( 3.303 0.000 6.766) 7.529 3.475 ( 4.218 0.000 1.267) 4.404 3.614 ( 2.401 0.000 0.903) 2.565 3.811 ( 2.028 0.000 -2.785) 3.445 3.874 ( -9.829 0.000 -6.881) 11.998 4.119 ( -2.105 0.000 2.708) 3.430 4.214 ( -2.783 0.000 4.997) 5.719 4.289 ( 0.260 0.000 -3.738) 3.747 4.389 ( -1.057 0.000 -3.117) 3.291 4.399 ( 6.130 0.000 -0.160) 6.132 4.584 ( -2.284 0.000 0.402) 2.319 4.658 ( 1.320 0.000 -10.141) 10.226 4.775 ( -2.271 0.000 -1.434) 2.686 5.104 ( -3.717 0.000 -0.333) 3.732 5.111 ( 16.177 0.000 12.769) 20.609 5.226 ( -0.431 0.000 -1.964) 2.011 5.411 ( 7.116 0.000 -1.528) 7.279 5.664 ( -6.439 0.000 -4.886) 8.083 5.696 ( 4.701 0.000 5.499) 7.235 5.901 ( -9.193 0.000 5.843) 10.893 5.930 ( 0.947 0.000 -4.544) 4.641 6.060 ( 11.155 0.000 -18.907) 21.953 6.138 ( -1.033 0.000 9.340) 9.397 6.167 ( 11.376 0.000 -2.683) 11.688 6.317 ( 1.746 0.000 0.917) 1.972 6.347 ( -2.563 0.000 4.289) 4.996 6.395 ( -2.085 0.000 0.578) 2.164 6.654 ( -17.683 0.000 -8.755) 19.732 6.658 ( 3.596 0.000 -5.727) 6.762 6.763 ( -4.571 0.000 -1.019) 4.684 6.795 ( -12.052 0.000 -1.390) 12.132 7.098 ( 5.816 0.000 -4.253) 7.205 7.315 ( -4.032 0.000 2.845) 4.935 7.324 ( -2.743 0.000 -1.947) 3.363 7.525 ( 5.559 0.000 5.982) 8.166 7.575 ( -4.882 0.000 0.356) 4.895 7.786 ( 2.945 0.000 2.445) 3.828 7.870 ( 12.268 0.000 9.673) 15.623 7.996 ( -7.912 0.000 -2.153) 8.199 8.288 ( -1.880 0.000 0.535) 1.955 8.547 ( -3.156 0.000 0.516) 3.198 8.673 ( -0.827 0.000 -6.380) 6.433 8.811 ( -1.171 0.000 -4.756) 4.898 8.811 ( 2.490 0.000 2.380) 3.445 9.045 ( -1.308 0.000 -0.596) 1.437 9.279 ( 3.490 0.000 4.073) 5.364 9.473 ( 2.085 0.000 -4.414) 4.882 9.614 ( -3.458 0.000 -10.511) 11.066 9.685 ( 0.820 0.000 -2.976) 3.087 9.810 ( -0.577 0.000 -3.174) 3.226 9.964 ( 4.601 0.000 4.646) 6.538 10.006 ( -0.855 0.000 0.930) 1.263 10.142 ( -2.504 0.000 0.182) 2.510 10.270 ( -6.572 0.000 -2.620) 7.075 10.381 ( 6.437 0.000 5.015) 8.160 10.679 ( 1.711 0.000 2.470) 3.004 10.690 ( 0.512 0.000 9.924) 9.937 10.953 ( -2.139 0.000 2.338) 3.169 11.016 ( -0.615 0.000 -0.894) 1.086 11.172 ( -1.509 0.000 2.521) 2.938 11.213 ( -5.775 0.000 -0.432) 5.792 11.396 ( -5.756 0.000 0.101) 5.757 11.719 ( 0.962 0.000 7.185) 7.249 11.858 ( -0.110 0.000 -3.898) 3.899 11.987 ( 0.391 0.000 -1.050) 1.120 12.326 ( 0.960 0.000 -3.712) 3.834 12.391 ( -2.262 0.000 -6.094) 6.500 12.527 ( -0.584 0.000 -0.915) 1.085 12.721 ( 2.053 0.000 4.086) 4.573 12.811 ( 2.498 0.000 -2.544) 3.565 12.909 ( -1.260 0.000 1.191) 1.734 13.230 ( 0.935 0.000 2.606) 2.769 13.255 ( -1.400 0.000 2.999) 3.310 13.301 ( 0.124 0.000 0.526) 0.540 13.424 ( -6.174 0.000 -2.514) 6.666 13.689 ( -0.454 0.000 -2.448) 2.490 13.873 ( 5.650 0.000 4.611) 7.293 14.293 ( -1.185 0.000 -0.593) 1.325 14.359 ( 7.261 0.000 7.103) 10.157 14.621 ( 0.874 0.000 -1.352) 1.610 14.641 ( 5.703 0.000 2.267) 6.137 14.995 ( 1.145 0.000 4.476) 4.620 15.062 ( -3.486 0.000 -8.363) 9.061 15.212 ( 0.784 0.000 -6.042) 6.093 15.243 ( -4.944 0.000 2.689) 5.628 15.400 ( -4.523 0.000 -14.674) 15.355 15.685 ( -0.083 0.000 -0.253) 0.266 15.749 ( 3.175 0.000 -3.301) 4.580 16.024 ( -7.400 0.000 -4.804) 8.822 16.403 ( 1.583 0.000 2.894) 3.299 16.584 ( 6.807 0.000 11.007) 12.942 16.717 ( -0.192 0.000 0.072) 0.206 16.897 ( 11.013 0.000 9.652) 14.644 17.047 ( -2.693 0.000 -2.614) 3.753 17.329 ( 0.782 0.000 1.216) 1.446 17.452 ( -3.128 0.000 -0.889) 3.252 17.663 ( -2.344 0.000 -3.663) 4.348 17.736 ( 1.124 0.000 -0.570) 1.261 17.868 ( 11.128 0.000 10.079) 15.014 18.126 ( -0.785 0.000 2.090) 2.232 18.312 ( 8.557 0.000 10.153) 13.278 18.447 ( -1.419 0.000 -3.488) 3.766 18.560 ( 7.955 0.000 3.042) 8.517 18.593 ( -3.972 0.000 -4.961) 6.355 18.933 ( -6.291 0.000 -2.938) 6.943 19.086 ( -7.898 0.000 -8.984) 11.962 19.124 ( 2.396 0.000 2.604) 3.539 19.206 ( 2.635 0.000 0.503) 2.682 19.437 ( -13.120 0.000 -6.519) 14.650 19.530 ( 1.574 0.000 1.585) 2.234 19.723 ( -10.346 0.000 -7.885) 13.008 19.782 ( 3.544 0.000 4.994) 6.124 19.789 ( 0.239 0.000 1.358) 1.379 20.022 ( 5.509 0.000 5.360) 7.687 20.146 ( -14.982 0.000 -18.891) 24.111 20.258 ( 3.830 0.000 10.207) 10.902 20.702 ( -4.199 0.000 -9.158) 10.075 20.930 ( 1.590 0.000 -0.568) 1.688 21.336 ( 14.371 0.000 13.451) 19.684 21.563 ( -13.075 0.000 -10.416) 16.716 22.153 ( -2.538 0.000 -2.151) 3.327 22.154 ( 2.641 0.000 1.096) 2.859 22.325 ( 2.563 0.000 3.425) 4.278 22.335 ( -1.122 0.000 1.843) 2.158 22.444 ( -0.989 0.000 -4.467) 4.576 22.569 ( 3.914 0.000 3.147) 5.022 22.713 ( 17.938 0.000 19.703) 26.646 23.019 ( -0.428 0.000 -0.845) 0.947 23.439 ( 25.510 0.000 28.793) 38.468 23.936 ( -19.787 0.000 -22.686) 30.103 24.652 ( 10.851 0.000 10.685) 15.229 24.943 ( -1.414 0.000 -0.739) 1.596 24.999 ( 0.283 0.000 1.447) 1.475 25.240 ( -24.209 0.000 -22.206) 32.850 25.616 ( 6.493 0.000 -6.422) 9.132 25.887 ( -11.442 0.000 -2.105) 11.634 25.979 ( -2.074 0.000 -6.755) 7.067 26.612 ( 8.548 0.000 13.697) 16.146 26.878 ( 2.321 0.000 4.512) 5.074 27.019 ( 1.005 0.000 -6.355) 6.434 27.145 ( -5.288 0.000 -8.348) 9.882 27.482 ( -0.658 0.000 -0.016) 0.658 27.571 ( 3.916 0.000 1.225) 4.103 27.752 ( 4.874 0.000 2.529) 5.491 27.935 ( 1.476 0.000 1.768) 2.303 28.090 ( 0.133 0.000 2.042) 2.046 28.207 ( -0.448 0.000 3.696) 3.723 28.262 ( 1.124 0.000 -2.996) 3.200 28.410 ( 1.738 0.000 2.518) 3.059 28.621 ( -11.904 0.000 -11.222) 16.360 28.709 ( -4.239 0.000 -7.168) 8.328 28.946 ( -10.986 0.000 -13.512) 17.415 28.957 ( 3.401 0.000 5.574) 6.530 29.000 ( -4.471 0.000 -4.125) 6.083 29.001 ( 4.685 0.000 2.779) 5.447 29.498 ( 4.337 0.000 5.982) 7.389 29.879 ( -1.724 0.000 -1.287) 2.151 29.923 ( 8.631 0.000 4.458) 9.715 29.993 ( -1.637 0.000 -2.872) 3.306 30.021 ( 4.991 0.000 13.936) 14.803 30.772 ( -12.844 0.000 -9.114) 15.749 31.087 ( -9.381 0.000 -25.591) 27.257 31.436 ( -8.213 0.000 -2.704) 8.646 31.698 ( 12.912 0.000 14.004) 19.048 31.814 ( -3.815 0.000 1.006) 3.945 32.022 ( 7.742 0.000 4.653) 9.033 32.253 ( 5.049 0.000 0.844) 5.119 32.433 ( -6.408 0.000 0.127) 6.409 32.613 ( 3.341 0.000 -4.016) 5.224 32.821 ( -0.208 0.000 1.618) 1.632 32.920 ( 0.334 0.000 11.385) 11.390 33.080 ( 7.823 0.000 -9.792) 12.533 33.205 ( -1.586 0.000 -2.002) 2.554 33.383 ( 0.655 0.000 -0.123) 0.667 33.390 ( -1.317 0.000 8.991) 9.087 33.725 ( -0.157 0.000 -1.864) 1.871 34.760 ( 13.607 0.000 12.132) 18.230 38.506 ( -3.378 0.000 0.950) 3.509 38.556 ( -1.097 0.000 -1.685) 2.010 38.760 ( 2.177 0.000 -1.780) 2.812 39.214 ( -1.117 0.000 9.356) 9.422 39.511 ( -1.884 0.000 -1.297) 2.287 39.516 ( 5.076 0.000 -6.171) 7.990 39.662 ( -2.842 0.000 -1.229) 3.096 40.301 ( 2.123 0.000 2.772) 3.492 41.652 ( -2.798 0.000 0.689) 2.881 41.764 ( 2.524 0.000 2.543) 3.583 41.772 ( -0.386 0.000 -0.543) 0.666 42.497 ( -0.369 0.000 -3.361) 3.381 42.683 ( 2.824 0.000 1.595) 3.243 42.819 ( 5.724 0.000 -3.983) 6.973 43.183 ( -13.226 0.000 9.933) 16.540 43.580 ( -8.578 0.000 -3.840) 9.398 ======================= Grid point 4 (5/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.000 0.000 0.000) 0.000 1.949 ( 0.000 0.000 0.000) 0.000 2.286 ( -0.000 0.000 -0.000) 0.000 2.443 ( 0.000 0.000 0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 2.928 ( -0.000 0.000 -0.000) 0.000 2.937 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 3.499 ( 0.000 0.000 0.000) 0.000 3.544 ( 0.000 0.000 -0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.719 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 4.141 ( 0.000 0.000 0.000) 0.000 4.207 ( 0.000 0.000 0.000) 0.000 4.241 ( 0.000 0.000 -0.000) 0.000 4.433 ( 0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 4.458 ( 0.000 0.000 -0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.187 ( 0.000 0.000 0.000) 0.000 5.426 ( 0.000 0.000 -0.000) 0.000 5.468 ( -0.000 0.000 0.000) 0.000 5.586 ( 0.000 0.000 0.000) 0.000 5.705 ( 0.000 0.000 0.000) 0.000 5.850 ( 0.000 0.000 0.000) 0.000 6.001 ( -0.000 0.000 0.000) 0.000 6.035 ( -0.000 0.000 -0.000) 0.000 6.167 ( 0.000 0.000 -0.000) 0.000 6.239 ( 0.000 0.000 0.000) 0.000 6.285 ( 0.000 0.000 -0.000) 0.000 6.309 ( -0.000 0.000 0.000) 0.000 6.406 ( 0.000 0.000 0.000) 0.000 6.479 ( 0.000 0.000 0.000) 0.000 6.645 ( 0.000 0.000 0.000) 0.000 6.659 ( -0.000 0.000 -0.000) 0.000 6.689 ( 0.000 0.000 0.000) 0.000 7.155 ( 0.000 0.000 0.000) 0.000 7.283 ( -0.000 0.000 0.000) 0.000 7.298 ( 0.000 0.000 0.000) 0.000 7.544 ( 0.000 0.000 0.000) 0.000 7.609 ( 0.000 0.000 -0.000) 0.000 7.856 ( 0.000 0.000 -0.000) 0.000 7.866 ( 0.000 0.000 0.000) 0.000 8.138 ( 0.000 0.000 -0.000) 0.000 8.267 ( 0.000 0.000 0.000) 0.000 8.457 ( 0.000 0.000 0.000) 0.000 8.620 ( 0.000 0.000 0.000) 0.000 8.770 ( 0.000 0.000 0.000) 0.000 8.851 ( 0.000 0.000 0.000) 0.000 9.038 ( 0.000 0.000 0.000) 0.000 9.393 ( -0.000 0.000 -0.000) 0.000 9.455 ( 0.000 0.000 0.000) 0.000 9.516 ( -0.000 0.000 -0.000) 0.000 9.554 ( 0.000 0.000 0.000) 0.000 9.844 ( -0.000 0.000 0.000) 0.000 9.983 ( 0.000 0.000 0.000) 0.000 10.039 ( 0.000 0.000 -0.000) 0.000 10.096 ( -0.000 0.000 0.000) 0.000 10.223 ( 0.000 0.000 0.000) 0.000 10.488 ( 0.000 0.000 0.000) 0.000 10.710 ( 0.000 0.000 0.000) 0.000 10.782 ( 0.000 0.000 0.000) 0.000 10.940 ( 0.000 0.000 0.000) 0.000 10.975 ( 0.000 0.000 0.000) 0.000 11.167 ( 0.000 0.000 0.000) 0.000 11.182 ( 0.000 0.000 0.000) 0.000 11.357 ( 0.000 0.000 0.000) 0.000 11.763 ( 0.000 0.000 0.000) 0.000 11.848 ( 0.000 0.000 0.000) 0.000 11.983 ( 0.000 0.000 0.000) 0.000 12.313 ( 0.000 0.000 -0.000) 0.000 12.318 ( -0.000 0.000 0.000) 0.000 12.516 ( 0.000 0.000 0.000) 0.000 12.781 ( 0.000 0.000 -0.000) 0.000 12.798 ( 0.000 0.000 0.000) 0.000 12.905 ( 0.000 0.000 0.000) 0.000 13.268 ( -0.000 0.000 0.000) 0.000 13.291 ( 0.000 0.000 0.000) 0.000 13.301 ( 0.000 0.000 -0.000) 0.000 13.321 ( 0.000 0.000 0.000) 0.000 13.665 ( 0.000 0.000 0.000) 0.000 13.948 ( 0.000 0.000 0.000) 0.000 14.285 ( 0.000 0.000 0.000) 0.000 14.487 ( 0.000 0.000 0.000) 0.000 14.614 ( 0.000 0.000 -0.000) 0.000 14.785 ( 0.000 0.000 0.000) 0.000 14.860 ( 0.000 0.000 -0.000) 0.000 15.061 ( 0.000 0.000 -0.000) 0.000 15.156 ( 0.000 0.000 0.000) 0.000 15.197 ( 0.000 0.000 0.000) 0.000 15.298 ( 0.000 0.000 0.000) 0.000 15.688 ( 0.000 0.000 0.000) 0.000 15.757 ( -0.000 0.000 0.000) 0.000 15.914 ( 0.000 0.000 0.000) 0.000 16.447 ( 0.000 0.000 0.000) 0.000 16.715 ( 0.000 0.000 0.000) 0.000 16.720 ( 0.000 0.000 0.000) 0.000 17.014 ( 0.000 0.000 0.000) 0.000 17.070 ( 0.000 0.000 0.000) 0.000 17.327 ( 0.000 0.000 0.000) 0.000 17.421 ( 0.000 0.000 0.000) 0.000 17.599 ( 0.000 0.000 0.000) 0.000 17.758 ( 0.000 0.000 -0.000) 0.000 18.117 ( 0.000 0.000 0.000) 0.000 18.182 ( 0.000 0.000 0.000) 0.000 18.335 ( -0.000 0.000 -0.000) 0.000 18.426 ( 0.000 0.000 0.000) 0.000 18.522 ( 0.000 0.000 0.000) 0.000 18.562 ( 0.000 0.000 0.000) 0.000 18.989 ( -0.000 0.000 -0.000) 0.000 19.060 ( -0.000 0.000 -0.000) 0.000 19.085 ( 0.000 0.000 0.000) 0.000 19.166 ( 0.000 0.000 0.000) 0.000 19.368 ( -0.000 0.000 -0.000) 0.000 19.420 ( 0.000 0.000 0.000) 0.000 19.551 ( 0.000 0.000 0.000) 0.000 19.829 ( 0.000 0.000 0.000) 0.000 19.837 ( 0.000 0.000 -0.000) 0.000 19.920 ( 0.000 0.000 0.000) 0.000 20.097 ( 0.000 0.000 0.000) 0.000 20.448 ( -0.000 0.000 -0.000) 0.000 20.522 ( 0.000 0.000 0.000) 0.000 20.940 ( 0.000 0.000 0.000) 0.000 21.398 ( 0.000 0.000 0.000) 0.000 21.526 ( 0.000 0.000 -0.000) 0.000 22.119 ( 0.000 0.000 0.000) 0.000 22.168 ( 0.000 0.000 0.000) 0.000 22.353 ( 0.000 0.000 0.000) 0.000 22.366 ( 0.000 0.000 0.000) 0.000 22.399 ( 0.000 0.000 -0.000) 0.000 22.614 ( 0.000 0.000 0.000) 0.000 23.012 ( 0.000 0.000 0.000) 0.000 23.258 ( 0.000 0.000 0.000) 0.000 23.363 ( 0.000 0.000 0.000) 0.000 24.085 ( 0.000 0.000 0.000) 0.000 24.640 ( -0.000 0.000 0.000) 0.000 24.812 ( 0.000 0.000 0.000) 0.000 24.933 ( 0.000 0.000 0.000) 0.000 25.010 ( 0.000 0.000 0.000) 0.000 25.655 ( 0.000 0.000 -0.000) 0.000 25.736 ( 0.000 0.000 0.000) 0.000 25.942 ( 0.000 0.000 0.000) 0.000 26.870 ( 0.000 0.000 0.000) 0.000 26.876 ( -0.000 0.000 -0.000) 0.000 26.932 ( 0.000 0.000 0.000) 0.000 27.039 ( 0.000 0.000 0.000) 0.000 27.473 ( 0.000 0.000 0.000) 0.000 27.618 ( 0.000 0.000 -0.000) 0.000 27.812 ( 0.000 0.000 0.000) 0.000 27.949 ( 0.000 0.000 0.000) 0.000 28.124 ( 0.000 0.000 0.000) 0.000 28.238 ( 0.000 0.000 -0.000) 0.000 28.243 ( -0.000 0.000 0.000) 0.000 28.394 ( 0.000 0.000 0.000) 0.000 28.458 ( 0.000 0.000 0.000) 0.000 28.693 ( 0.000 0.000 0.000) 0.000 28.735 ( 0.000 0.000 0.000) 0.000 28.936 ( 0.000 0.000 0.000) 0.000 28.990 ( 0.000 0.000 0.000) 0.000 29.098 ( 0.000 0.000 0.000) 0.000 29.551 ( 0.000 0.000 0.000) 0.000 29.859 ( 0.000 0.000 0.000) 0.000 29.964 ( 0.000 0.000 0.000) 0.000 30.010 ( 0.000 0.000 0.000) 0.000 30.296 ( 0.000 0.000 0.000) 0.000 30.583 ( 0.000 0.000 0.000) 0.000 30.755 ( 0.000 0.000 -0.000) 0.000 31.351 ( 0.000 0.000 0.000) 0.000 31.794 ( 0.000 0.000 0.000) 0.000 31.923 ( -0.000 0.000 -0.000) 0.000 32.194 ( -0.000 0.000 -0.000) 0.000 32.215 ( 0.000 0.000 0.000) 0.000 32.315 ( 0.000 0.000 0.000) 0.000 32.611 ( 0.000 0.000 0.000) 0.000 32.862 ( 0.000 0.000 -0.000) 0.000 33.023 ( -0.000 0.000 0.000) 0.000 33.048 ( 0.000 0.000 -0.000) 0.000 33.173 ( 0.000 0.000 0.000) 0.000 33.389 ( 0.000 0.000 0.000) 0.000 33.441 ( 0.000 0.000 0.000) 0.000 33.708 ( 0.000 0.000 0.000) 0.000 34.950 ( 0.000 0.000 0.000) 0.000 38.486 ( 0.000 0.000 -0.000) 0.000 38.538 ( 0.000 0.000 0.000) 0.000 38.765 ( 0.000 0.000 0.000) 0.000 39.270 ( 0.000 0.000 -0.000) 0.000 39.490 ( 0.000 0.000 0.000) 0.000 39.512 ( -0.000 0.000 0.000) 0.000 39.631 ( 0.000 0.000 0.000) 0.000 40.336 ( 0.000 0.000 0.000) 0.000 41.633 ( 0.000 0.000 0.000) 0.000 41.766 ( 0.000 0.000 -0.000) 0.000 41.801 ( 0.000 0.000 0.000) 0.000 42.471 ( 0.000 0.000 0.000) 0.000 42.720 ( 0.000 0.000 0.000) 0.000 42.838 ( 0.000 0.000 -0.000) 0.000 43.144 ( 0.000 0.000 0.000) 0.000 43.481 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 0.000 38.319 0.000) 38.319 0.825 ( 0.000 41.546 0.000) 41.546 1.315 ( 0.000 63.233 0.000) 63.233 2.022 ( 0.000 12.383 0.000) 12.383 2.434 ( 0.000 0.455 0.000) 0.455 2.590 ( 0.000 7.869 0.000) 7.869 2.637 ( 0.000 -0.757 0.000) 0.757 3.024 ( 0.000 0.054 0.000) 0.054 3.092 ( 0.000 -5.306 0.000) 5.306 3.193 ( 0.000 -1.395 0.000) 1.395 3.475 ( 0.000 2.991 0.000) 2.991 3.494 ( 0.000 -3.764 0.000) 3.764 3.557 ( 0.000 -0.049 0.000) 0.049 3.684 ( 0.000 -0.552 0.000) 0.552 3.824 ( 0.000 -0.163 0.000) 0.163 3.890 ( 0.000 -3.730 0.000) 3.730 3.964 ( 0.000 -5.917 0.000) 5.917 4.248 ( 0.000 5.653 0.000) 5.653 4.274 ( 0.000 1.528 0.000) 1.528 4.395 ( 0.000 1.058 0.000) 1.058 4.600 ( 0.000 -0.685 0.000) 0.685 4.793 ( 0.000 -16.569 0.000) 16.569 4.932 ( 0.000 -5.602 0.000) 5.602 4.970 ( 0.000 5.535 0.000) 5.535 5.025 ( 0.000 -2.548 0.000) 2.548 5.212 ( 0.000 3.294 0.000) 3.294 5.250 ( 0.000 3.151 0.000) 3.151 5.377 ( 0.000 4.141 0.000) 4.141 5.409 ( 0.000 2.065 0.000) 2.065 5.553 ( 0.000 0.582 0.000) 0.582 5.575 ( 0.000 10.349 0.000) 10.349 5.838 ( 0.000 6.385 0.000) 6.385 5.944 ( 0.000 -0.246 0.000) 0.246 6.014 ( 0.000 5.161 0.000) 5.161 6.131 ( 0.000 1.874 0.000) 1.874 6.207 ( 0.000 -0.064 0.000) 0.064 6.452 ( 0.000 2.590 0.000) 2.590 6.615 ( 0.000 -15.755 0.000) 15.755 6.662 ( 0.000 1.691 0.000) 1.691 6.984 ( 0.000 -5.871 0.000) 5.871 7.031 ( 0.000 -3.295 0.000) 3.295 7.080 ( 0.000 -5.310 0.000) 5.310 7.135 ( 0.000 2.315 0.000) 2.315 7.281 ( 0.000 -3.806 0.000) 3.806 7.337 ( 0.000 -12.857 0.000) 12.857 7.606 ( 0.000 -15.000 0.000) 15.000 7.652 ( 0.000 -0.247 0.000) 0.247 7.743 ( 0.000 -7.654 0.000) 7.654 8.003 ( 0.000 7.077 0.000) 7.077 8.217 ( 0.000 -3.779 0.000) 3.779 8.223 ( 0.000 0.855 0.000) 0.855 8.493 ( 0.000 10.256 0.000) 10.256 8.633 ( 0.000 -6.739 0.000) 6.739 8.920 ( 0.000 -6.878 0.000) 6.878 9.181 ( 0.000 3.065 0.000) 3.065 9.201 ( 0.000 1.120 0.000) 1.120 9.319 ( 0.000 -10.942 0.000) 10.942 9.385 ( 0.000 4.003 0.000) 4.003 9.436 ( 0.000 3.668 0.000) 3.668 9.484 ( 0.000 -0.889 0.000) 0.889 9.776 ( 0.000 -14.928 0.000) 14.928 9.853 ( 0.000 1.544 0.000) 1.544 10.019 ( 0.000 2.214 0.000) 2.214 10.179 ( 0.000 18.419 0.000) 18.419 10.290 ( 0.000 0.330 0.000) 0.330 10.452 ( 0.000 -0.058 0.000) 0.058 10.582 ( 0.000 -2.598 0.000) 2.598 10.667 ( 0.000 -0.665 0.000) 0.665 10.844 ( 0.000 10.532 0.000) 10.532 10.908 ( 0.000 1.448 0.000) 1.448 11.207 ( 0.000 -11.606 0.000) 11.606 11.482 ( 0.000 -0.654 0.000) 0.654 11.670 ( 0.000 -1.165 0.000) 1.165 11.740 ( 0.000 -3.566 0.000) 3.566 11.910 ( 0.000 0.128 0.000) 0.128 12.039 ( 0.000 10.731 0.000) 10.731 12.298 ( 0.000 -4.679 0.000) 4.679 12.409 ( 0.000 -7.339 0.000) 7.339 12.512 ( 0.000 5.468 0.000) 5.468 12.705 ( 0.000 -5.032 0.000) 5.032 12.727 ( 0.000 3.888 0.000) 3.888 13.105 ( 0.000 3.593 0.000) 3.593 13.125 ( 0.000 6.212 0.000) 6.212 13.271 ( 0.000 1.704 0.000) 1.704 13.324 ( 0.000 1.699 0.000) 1.699 13.402 ( 0.000 -3.126 0.000) 3.126 13.563 ( 0.000 0.253 0.000) 0.253 13.689 ( 0.000 3.240 0.000) 3.240 14.023 ( 0.000 4.895 0.000) 4.895 14.369 ( 0.000 6.449 0.000) 6.449 14.386 ( 0.000 -8.637 0.000) 8.637 14.781 ( 0.000 1.469 0.000) 1.469 15.077 ( 0.000 -2.666 0.000) 2.666 15.144 ( 0.000 -5.851 0.000) 5.851 15.257 ( 0.000 4.691 0.000) 4.691 15.314 ( 0.000 -2.653 0.000) 2.653 15.440 ( 0.000 2.388 0.000) 2.388 15.692 ( 0.000 2.915 0.000) 2.915 15.794 ( 0.000 5.950 0.000) 5.950 16.170 ( 0.000 -4.066 0.000) 4.066 16.323 ( 0.000 1.463 0.000) 1.463 16.648 ( 0.000 -4.730 0.000) 4.730 16.700 ( 0.000 -1.956 0.000) 1.956 16.767 ( 0.000 -8.899 0.000) 8.899 16.907 ( 0.000 8.595 0.000) 8.595 17.292 ( 0.000 1.951 0.000) 1.951 17.585 ( 0.000 -8.624 0.000) 8.624 17.603 ( 0.000 2.630 0.000) 2.630 17.781 ( 0.000 4.968 0.000) 4.968 18.011 ( 0.000 2.672 0.000) 2.672 18.085 ( 0.000 0.340 0.000) 0.340 18.199 ( 0.000 -1.474 0.000) 1.474 18.407 ( 0.000 0.107 0.000) 0.107 18.568 ( 0.000 4.151 0.000) 4.151 18.685 ( 0.000 -4.027 0.000) 4.027 19.025 ( 0.000 1.790 0.000) 1.790 19.043 ( 0.000 -7.172 0.000) 7.172 19.112 ( 0.000 -5.017 0.000) 5.017 19.297 ( 0.000 0.342 0.000) 0.342 19.329 ( 0.000 -2.018 0.000) 2.018 19.465 ( 0.000 -1.510 0.000) 1.510 19.633 ( 0.000 0.777 0.000) 0.777 19.694 ( 0.000 2.160 0.000) 2.160 19.830 ( 0.000 0.199 0.000) 0.199 19.917 ( 0.000 6.215 0.000) 6.215 20.034 ( 0.000 4.341 0.000) 4.341 20.371 ( 0.000 9.057 0.000) 9.057 20.729 ( 0.000 -4.590 0.000) 4.590 21.011 ( 0.000 -9.127 0.000) 9.127 21.329 ( 0.000 -1.597 0.000) 1.597 21.570 ( 0.000 9.542 0.000) 9.542 22.064 ( 0.000 -0.968 0.000) 0.968 22.131 ( 0.000 3.358 0.000) 3.358 22.157 ( 0.000 -5.418 0.000) 5.418 22.372 ( 0.000 -2.258 0.000) 2.258 22.431 ( 0.000 1.333 0.000) 1.333 22.550 ( 0.000 -0.935 0.000) 0.935 22.683 ( 0.000 -3.092 0.000) 3.092 23.179 ( 0.000 1.977 0.000) 1.977 23.501 ( 0.000 9.528 0.000) 9.528 23.809 ( 0.000 -12.250 0.000) 12.250 24.774 ( 0.000 -1.202 0.000) 1.202 24.920 ( 0.000 2.719 0.000) 2.719 24.983 ( 0.000 7.288 0.000) 7.288 25.118 ( 0.000 -2.067 0.000) 2.067 25.525 ( 0.000 3.758 0.000) 3.758 25.659 ( 0.000 -2.568 0.000) 2.568 26.478 ( 0.000 -7.022 0.000) 7.022 26.577 ( 0.000 -7.449 0.000) 7.449 26.717 ( 0.000 0.495 0.000) 0.495 27.243 ( 0.000 5.226 0.000) 5.226 27.327 ( 0.000 -3.939 0.000) 3.939 27.483 ( 0.000 -0.675 0.000) 0.675 27.610 ( 0.000 -8.412 0.000) 8.412 27.777 ( 0.000 0.397 0.000) 0.397 27.961 ( 0.000 6.141 0.000) 6.141 28.091 ( 0.000 0.881 0.000) 0.881 28.205 ( 0.000 -0.954 0.000) 0.954 28.356 ( 0.000 -0.515 0.000) 0.515 28.403 ( 0.000 -0.221 0.000) 0.221 28.442 ( 0.000 -4.466 0.000) 4.466 28.714 ( 0.000 3.897 0.000) 3.897 28.841 ( 0.000 -2.560 0.000) 2.560 28.852 ( 0.000 1.307 0.000) 1.307 29.132 ( 0.000 6.032 0.000) 6.032 29.148 ( 0.000 -2.786 0.000) 2.786 29.578 ( 0.000 1.040 0.000) 1.040 29.840 ( 0.000 6.159 0.000) 6.159 29.861 ( 0.000 -2.604 0.000) 2.604 30.054 ( 0.000 0.001 0.000) 0.001 30.596 ( 0.000 4.546 0.000) 4.546 30.777 ( 0.000 1.098 0.000) 1.098 31.197 ( 0.000 -4.439 0.000) 4.439 31.356 ( 0.000 -8.825 0.000) 8.825 31.565 ( 0.000 -7.707 0.000) 7.707 31.614 ( 0.000 -7.716 0.000) 7.716 31.873 ( 0.000 8.004 0.000) 8.004 32.073 ( 0.000 5.121 0.000) 5.121 32.262 ( 0.000 2.916 0.000) 2.916 32.287 ( 0.000 1.558 0.000) 1.558 32.680 ( 0.000 -0.462 0.000) 0.462 32.830 ( 0.000 -7.038 0.000) 7.038 33.135 ( 0.000 -4.547 0.000) 4.547 33.173 ( 0.000 0.453 0.000) 0.453 33.436 ( 0.000 8.510 0.000) 8.510 33.676 ( 0.000 1.323 0.000) 1.323 33.778 ( 0.000 4.622 0.000) 4.622 34.198 ( 0.000 -1.428 0.000) 1.428 38.554 ( 0.000 5.679 0.000) 5.679 38.676 ( 0.000 -4.480 0.000) 4.480 38.778 ( 0.000 -6.629 0.000) 6.629 39.429 ( 0.000 -6.456 0.000) 6.456 39.797 ( 0.000 4.087 0.000) 4.087 39.823 ( 0.000 6.902 0.000) 6.902 40.099 ( 0.000 3.393 0.000) 3.393 40.309 ( 0.000 -1.377 0.000) 1.377 41.488 ( 0.000 -3.210 0.000) 3.210 41.519 ( 0.000 -2.987 0.000) 2.987 41.868 ( 0.000 5.233 0.000) 5.233 42.195 ( 0.000 2.135 0.000) 2.135 42.551 ( 0.000 -0.438 0.000) 0.438 42.670 ( 0.000 -1.453 0.000) 1.453 42.742 ( 0.000 5.829 0.000) 5.829 43.883 ( 0.000 -8.603 0.000) 8.603 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 19.780 27.493 10.487) 35.456 1.058 ( 16.124 23.760 24.734) 37.898 1.862 ( 18.537 32.308 29.020) 47.218 2.041 ( 6.101 13.916 4.012) 15.715 2.467 ( 0.145 1.841 0.507) 1.915 2.583 ( 2.066 4.291 4.827) 6.781 2.622 ( -2.447 9.676 -4.116) 10.796 2.976 ( -3.671 -5.431 -2.702) 7.090 3.103 ( 0.589 0.177 -1.485) 1.608 3.187 ( 4.749 -1.652 2.582) 5.653 3.353 ( -9.247 5.470 -0.889) 10.780 3.447 ( -4.981 -1.989 -2.227) 5.807 3.506 ( -5.554 -0.564 -0.588) 5.613 3.683 ( -8.451 -1.707 -5.898) 10.446 3.758 ( 0.729 -2.302 3.628) 4.358 3.908 ( -1.959 -4.002 2.983) 5.361 4.053 ( 0.539 -5.676 5.635) 8.016 4.255 ( -0.195 3.287 0.226) 3.301 4.299 ( -0.017 1.564 -3.008) 3.390 4.435 ( 4.031 -2.364 -1.381) 4.873 4.516 ( 2.028 0.323 -7.449) 7.727 4.692 ( -1.445 -8.310 -6.376) 10.573 4.900 ( -9.465 0.033 -2.710) 9.846 4.921 ( 0.943 -1.182 -11.038) 11.141 5.005 ( -1.118 -0.401 1.780) 2.140 5.141 ( 1.976 -1.279 -2.957) 3.780 5.296 ( -0.608 3.227 2.068) 3.881 5.378 ( -0.972 5.371 -6.511) 8.496 5.471 ( 5.033 0.896 3.821) 6.382 5.541 ( 4.867 -6.724 5.164) 9.776 5.745 ( 6.750 0.652 4.922) 8.379 5.879 ( 4.162 0.461 0.648) 4.237 6.039 ( -0.715 2.006 2.982) 3.664 6.044 ( -0.121 1.999 6.873) 7.159 6.137 ( 5.109 1.001 -5.197) 7.356 6.214 ( 0.325 -0.264 1.086) 1.164 6.487 ( 3.170 -6.192 3.491) 7.783 6.590 ( 0.274 -2.100 -4.802) 5.248 6.649 ( -1.668 -4.389 1.949) 5.084 6.856 ( -3.688 -8.198 -10.794) 14.047 6.906 ( -1.319 1.981 -6.694) 7.105 7.009 ( -5.608 -3.928 -1.520) 7.014 7.064 ( -5.590 -0.908 1.583) 5.880 7.183 ( -12.544 -6.548 -9.079) 16.813 7.393 ( -4.520 0.377 8.956) 10.039 7.592 ( -0.094 -0.860 5.547) 5.614 7.637 ( -0.305 2.618 -3.328) 4.245 7.839 ( 2.972 -3.460 7.635) 8.893 7.972 ( -1.643 2.296 -1.221) 3.076 8.119 ( -4.634 0.033 -2.669) 5.347 8.278 ( 3.972 1.577 -0.476) 4.300 8.480 ( -0.901 -1.299 -0.096) 1.584 8.676 ( 6.075 -1.902 0.822) 6.419 8.842 ( -10.797 -2.815 -1.013) 11.204 9.041 ( -5.585 -2.310 -4.333) 7.437 9.171 ( -2.791 -0.350 -9.262) 9.680 9.251 ( 1.710 3.739 -2.990) 5.083 9.437 ( 4.966 -6.248 3.550) 8.735 9.507 ( 7.168 3.244 -1.442) 7.999 9.587 ( 7.201 0.470 4.697) 8.610 9.787 ( -5.485 -1.108 -1.187) 5.720 9.881 ( 1.303 2.497 0.177) 2.822 10.012 ( 8.123 -5.623 0.532) 9.894 10.183 ( 0.974 12.707 -3.741) 13.282 10.259 ( -1.606 0.322 -1.705) 2.365 10.480 ( 0.806 -5.020 1.053) 5.192 10.587 ( -2.264 1.523 1.319) 3.031 10.646 ( -1.501 -0.724 1.958) 2.571 10.844 ( -1.158 4.788 2.087) 5.350 10.953 ( 0.624 7.309 7.126) 10.227 11.199 ( -4.600 -7.781 3.147) 9.571 11.449 ( -5.320 0.520 0.289) 5.353 11.644 ( -3.413 0.089 0.356) 3.433 11.685 ( -5.813 -1.529 -1.633) 6.229 11.869 ( -1.238 -1.106 -1.047) 1.963 12.067 ( -0.780 6.093 1.345) 6.288 12.290 ( 1.453 -5.650 -1.050) 5.927 12.424 ( 2.220 -7.093 -0.803) 7.475 12.543 ( 4.685 5.149 -0.729) 6.999 12.690 ( -2.046 2.866 -3.148) 4.724 12.760 ( 4.104 -2.528 1.793) 5.143 13.007 ( -3.618 7.661 -4.281) 9.493 13.168 ( -0.714 -0.459 1.422) 1.656 13.275 ( 0.610 1.367 -0.757) 1.677 13.283 ( -5.373 1.286 4.426) 7.079 13.504 ( 4.268 -0.935 3.359) 5.511 13.576 ( 1.947 0.372 2.155) 2.928 13.717 ( 3.408 0.716 -1.623) 3.842 14.098 ( 3.317 1.432 5.464) 6.551 14.277 ( -3.459 -5.241 -1.659) 6.495 14.493 ( 4.720 1.735 2.637) 5.679 14.709 ( -3.868 1.275 -3.895) 5.635 15.012 ( -0.765 1.701 -3.484) 3.952 15.226 ( -5.496 -1.274 4.209) 7.039 15.238 ( 1.595 -4.629 -0.551) 4.927 15.365 ( 5.801 2.039 -1.786) 6.403 15.383 ( 1.409 -1.226 -1.190) 2.215 15.780 ( 5.571 4.172 0.334) 6.968 15.836 ( 4.333 4.449 0.836) 6.266 16.142 ( -1.803 -5.383 -3.036) 6.438 16.269 ( -3.116 1.005 -1.845) 3.758 16.576 ( 0.127 -0.224 -0.212) 0.334 16.630 ( -8.222 -8.104 -4.739) 12.479 16.806 ( -2.770 1.540 -3.768) 4.923 16.991 ( 8.124 1.029 10.149) 13.041 17.327 ( -0.876 6.788 -1.692) 7.050 17.450 ( -3.438 3.833 -2.668) 5.799 17.570 ( -0.232 -5.009 1.176) 5.151 17.700 ( 2.198 4.078 2.308) 5.176 17.939 ( -3.683 2.406 -2.901) 5.270 18.099 ( -6.564 -2.817 -7.008) 10.007 18.211 ( -8.682 -1.670 -12.587) 15.381 18.221 ( 4.208 -4.896 0.246) 6.461 18.642 ( -0.318 2.909 -6.754) 7.361 18.749 ( 2.677 -6.910 4.031) 8.436 18.969 ( 14.170 3.949 13.978) 20.292 19.040 ( -2.184 1.452 -2.459) 3.595 19.127 ( -1.327 0.453 -2.171) 2.585 19.281 ( -3.172 1.402 -2.654) 4.367 19.469 ( -1.007 -2.929 6.265) 6.989 19.604 ( -0.614 -1.482 2.864) 3.283 19.699 ( 4.565 -1.112 2.777) 5.457 19.760 ( 6.853 0.328 12.207) 14.003 19.822 ( -1.000 1.073 -0.842) 1.691 19.939 ( 1.701 4.051 5.656) 7.162 20.101 ( 4.127 1.686 -1.659) 4.757 20.292 ( 0.223 10.651 3.662) 11.266 20.795 ( 4.738 -0.930 1.841) 5.168 20.892 ( -5.983 -9.855 -7.784) 13.911 21.424 ( -10.374 11.950 -9.756) 18.591 21.501 ( 10.166 -1.595 14.507) 17.786 22.095 ( 2.275 -0.905 1.704) 2.983 22.177 ( 2.679 0.480 0.627) 2.793 22.199 ( 1.570 -2.948 2.537) 4.194 22.333 ( -3.347 -2.991 -3.441) 5.656 22.435 ( 0.660 0.822 -0.909) 1.392 22.558 ( -0.658 1.543 -1.502) 2.252 22.635 ( -4.634 -6.588 -3.208) 8.670 22.853 ( -9.324 3.649 -9.299) 13.664 23.370 ( -20.889 -8.407 -20.429) 30.403 23.902 ( 19.367 8.335 16.799) 26.958 24.807 ( -5.841 5.739 -8.069) 11.496 24.954 ( -0.194 0.998 1.435) 1.759 25.076 ( -3.630 -0.655 -2.104) 4.246 25.240 ( 18.490 -1.707 21.594) 28.480 25.520 ( 2.025 1.988 -0.296) 2.852 25.723 ( 8.682 -4.094 -3.230) 10.128 26.485 ( -3.279 -4.548 1.287) 5.753 26.535 ( -4.083 -9.810 -3.058) 11.057 26.811 ( 7.439 0.762 4.239) 8.596 26.906 ( -13.067 9.008 -13.538) 20.861 27.330 ( -0.832 8.040 -3.741) 8.907 27.423 ( 4.618 -3.034 1.199) 5.654 27.576 ( 1.473 -8.128 -4.211) 9.272 27.725 ( -4.079 -2.307 -0.486) 4.711 27.886 ( -3.357 4.294 -3.801) 6.645 28.106 ( -0.820 1.013 1.453) 1.952 28.191 ( -2.229 7.514 0.653) 7.864 28.341 ( -0.717 -0.959 -1.079) 1.612 28.379 ( -1.370 1.527 -1.356) 2.459 28.620 ( 11.765 -0.777 10.976) 16.109 28.784 ( -0.666 -0.454 -2.079) 2.230 28.831 ( -3.098 -5.458 0.054) 6.276 29.049 ( 2.313 -2.776 2.436) 4.358 29.082 ( 1.460 2.829 4.018) 5.127 29.482 ( -1.506 -6.980 1.912) 7.392 29.575 ( 1.287 -7.320 2.679) 7.900 29.855 ( 0.647 1.274 -2.451) 2.837 29.864 ( -2.457 1.903 -0.842) 3.220 30.061 ( -1.669 -3.906 -0.769) 4.316 30.352 ( -10.381 0.868 -13.971) 17.427 30.577 ( 12.115 -15.284 -6.726) 20.630 31.374 ( 0.536 -4.938 -0.125) 4.969 31.534 ( 2.705 1.229 8.932) 9.413 31.558 ( 17.142 -7.858 -15.105) 24.161 31.671 ( -7.000 -6.074 15.414) 17.986 31.897 ( 3.170 3.686 6.042) 7.755 32.117 ( -2.761 3.667 -4.273) 6.271 32.143 ( 0.933 3.067 4.242) 5.317 32.420 ( 4.434 -1.783 3.742) 6.070 32.649 ( -2.214 -0.195 3.034) 3.761 32.891 ( 6.338 -6.483 -1.246) 9.151 33.104 ( -2.211 -2.269 -1.851) 3.669 33.197 ( 1.878 0.897 -0.403) 2.120 33.354 ( 0.163 6.292 -7.104) 9.491 33.705 ( 0.067 -2.194 -2.366) 3.227 33.776 ( -5.230 13.636 2.009) 14.743 34.083 ( -0.969 8.099 6.307) 10.311 38.530 ( -0.106 2.929 -3.332) 4.438 38.666 ( 1.074 -5.249 -2.532) 5.926 38.766 ( -1.551 -4.025 -0.826) 4.392 39.403 ( -5.653 -3.195 -5.707) 8.645 39.447 ( -23.528 24.047 -0.141) 33.643 39.796 ( -4.658 7.780 2.307) 9.356 39.850 ( 6.845 8.688 -16.114) 19.544 40.164 ( 3.354 4.024 3.843) 6.497 41.496 ( 1.208 -5.432 1.461) 5.754 41.729 ( 0.822 -3.785 4.159) 5.683 41.849 ( 0.301 7.381 -0.458) 7.401 42.570 ( 2.626 -0.099 -0.085) 2.629 42.600 ( 3.909 -5.216 -4.441) 7.887 42.754 ( 12.271 2.261 -10.531) 16.328 42.870 ( -12.533 -23.940 49.500) 56.396 43.833 ( -5.520 -8.466 -1.488) 10.216 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 15.051 11.455 17.538) 25.794 1.630 ( 18.660 8.908 19.602) 28.492 2.012 ( -1.871 10.184 4.587) 11.325 2.288 ( -11.288 10.804 -17.395) 23.382 2.385 ( 3.217 3.787 6.908) 8.509 2.625 ( 3.071 13.631 12.044) 18.447 2.770 ( -1.831 -7.543 2.115) 8.045 2.872 ( -5.682 -0.437 -7.515) 9.431 3.010 ( 1.464 0.013 5.272) 5.471 3.256 ( 0.854 -0.967 1.917) 2.311 3.335 ( -3.743 -1.347 1.159) 4.143 3.414 ( 1.733 4.780 4.049) 6.500 3.440 ( 0.761 2.631 3.968) 4.822 3.561 ( -0.961 -2.141 -1.740) 2.921 3.723 ( -6.409 -8.395 -1.147) 10.624 3.964 ( 0.049 -2.783 8.086) 8.552 4.054 ( -2.961 -3.253 -2.453) 5.037 4.223 ( -1.592 -3.035 -1.993) 3.965 4.286 ( 0.981 0.640 -2.080) 2.387 4.380 ( -3.944 0.160 -0.367) 3.964 4.514 ( 3.707 5.568 -3.226) 7.426 4.637 ( -0.082 0.210 -3.942) 3.949 4.741 ( -1.847 -1.286 -9.099) 9.373 4.819 ( 6.138 0.865 -5.114) 8.036 5.030 ( 1.127 2.837 2.431) 3.903 5.159 ( -0.545 -4.916 2.793) 5.680 5.239 ( -1.430 3.398 -8.351) 9.129 5.390 ( 5.826 7.846 1.243) 9.851 5.577 ( 4.649 -2.787 1.976) 5.769 5.680 ( 2.493 -6.760 4.971) 8.754 5.806 ( -3.465 -7.599 0.275) 8.356 5.925 ( -1.610 -0.331 -4.263) 4.568 5.952 ( 4.418 0.998 -1.067) 4.653 6.082 ( 5.823 1.330 -6.135) 8.562 6.198 ( 0.221 -3.623 4.344) 5.660 6.255 ( 1.231 -3.450 3.388) 4.989 6.422 ( -11.513 9.925 -4.925) 15.979 6.544 ( -0.015 -3.916 -6.159) 7.299 6.684 ( 1.124 -7.021 -4.924) 8.649 6.774 ( -1.090 -5.800 3.082) 6.658 6.792 ( -6.884 -0.809 -4.932) 8.506 6.919 ( -2.641 -6.102 1.623) 6.844 6.948 ( -4.445 -7.119 2.737) 8.828 7.159 ( 5.375 -0.837 9.426) 10.883 7.372 ( -3.977 5.856 0.356) 7.088 7.569 ( -5.499 -2.297 -4.342) 7.374 7.615 ( -1.760 -0.932 -0.545) 2.064 7.820 ( -0.889 7.911 1.707) 8.142 7.972 ( -0.562 12.460 -1.740) 12.593 8.119 ( -1.325 -3.472 1.598) 4.046 8.289 ( -4.865 0.640 0.406) 4.923 8.469 ( 2.673 -2.629 -2.271) 4.383 8.722 ( -1.965 -5.743 2.062) 6.411 8.754 ( 4.597 2.047 -2.022) 5.424 8.928 ( -2.690 1.189 -4.471) 5.352 9.051 ( -3.211 -3.438 -2.823) 5.486 9.233 ( 0.690 1.279 -2.750) 3.111 9.520 ( 6.719 -0.822 -7.380) 10.014 9.633 ( 5.914 -0.065 2.607) 6.463 9.649 ( -1.744 -2.564 -1.026) 3.267 9.789 ( 8.881 -1.551 4.003) 9.864 9.880 ( -2.172 3.285 2.695) 4.772 10.070 ( -2.375 1.291 -9.294) 9.679 10.170 ( 4.366 4.594 0.707) 6.377 10.249 ( 1.815 -1.749 3.156) 4.040 10.452 ( -6.651 -0.015 -3.553) 7.540 10.528 ( -2.121 -2.892 0.349) 3.603 10.715 ( 0.751 3.015 7.987) 8.570 10.899 ( 1.961 1.442 4.520) 5.134 11.035 ( -0.158 3.620 3.818) 5.264 11.173 ( -3.835 -1.606 4.421) 6.069 11.336 ( -8.421 1.402 -0.052) 8.537 11.555 ( -6.530 1.968 -2.536) 7.276 11.651 ( -2.389 3.247 5.341) 6.692 11.856 ( 1.826 -4.277 -1.947) 5.042 12.034 ( -2.466 2.619 -0.649) 3.656 12.305 ( 1.898 -4.333 -1.415) 4.938 12.452 ( 3.649 -6.154 -2.663) 7.634 12.573 ( -1.246 3.922 -2.762) 4.956 12.631 ( 0.851 1.682 -1.108) 2.187 12.811 ( 0.670 1.331 -0.703) 1.647 12.947 ( 0.751 4.405 -0.528) 4.500 13.146 ( -2.439 -5.958 0.029) 6.438 13.261 ( -5.905 -1.981 3.773) 7.282 13.280 ( 1.985 2.447 -1.095) 3.336 13.498 ( -4.265 -0.933 -0.493) 4.394 13.715 ( 6.371 0.728 3.963) 7.538 13.767 ( 5.888 3.572 0.658) 6.918 14.225 ( 2.428 0.605 5.823) 6.338 14.238 ( -1.138 -4.335 2.149) 4.971 14.573 ( 3.125 1.294 1.404) 3.662 14.617 ( -0.557 -0.858 -4.066) 4.193 14.987 ( 0.060 3.275 0.318) 3.291 15.156 ( -2.414 -1.308 -6.031) 6.627 15.205 ( -3.726 -1.288 3.075) 5.000 15.421 ( 4.084 6.610 -2.110) 8.051 15.466 ( 5.003 -7.355 1.602) 9.039 15.748 ( -2.478 5.098 -12.391) 13.626 15.866 ( 1.826 5.924 -3.519) 7.128 16.072 ( -2.275 -7.570 -2.753) 8.370 16.320 ( 4.957 -0.952 9.318) 10.598 16.420 ( -6.915 -2.968 -3.669) 8.373 16.673 ( 5.547 1.904 5.587) 8.100 16.726 ( -0.834 -0.296 -2.406) 2.564 17.179 ( -1.430 2.124 -0.216) 2.570 17.241 ( 1.354 2.697 2.269) 3.776 17.570 ( 3.337 -0.233 2.507) 4.180 17.600 ( -0.339 -2.013 1.782) 2.710 17.697 ( 3.239 5.070 3.827) 7.130 17.778 ( -5.653 -3.261 -5.910) 8.805 18.043 ( 4.100 -1.133 4.152) 5.944 18.110 ( 0.581 0.039 0.845) 1.026 18.309 ( 5.423 -9.224 1.613) 10.821 18.541 ( -3.981 -1.915 -6.618) 7.957 18.788 ( -1.847 2.393 -2.374) 3.843 18.915 ( 0.065 -4.537 0.419) 4.557 19.097 ( -1.247 4.113 -0.516) 4.329 19.148 ( -2.244 3.684 -0.738) 4.377 19.396 ( 3.738 -2.420 3.626) 5.743 19.498 ( -2.267 2.411 -4.612) 5.677 19.609 ( 0.901 0.623 3.347) 3.522 19.723 ( -1.465 3.375 3.416) 5.020 19.778 ( -2.185 1.203 -0.023) 2.495 19.844 ( -0.550 -2.642 -0.457) 2.737 19.928 ( -3.896 0.307 -5.088) 6.415 20.132 ( 3.780 3.302 7.632) 9.135 20.592 ( -10.628 -8.327 -12.568) 18.446 20.663 ( 8.774 -2.947 8.065) 12.276 20.982 ( 11.787 8.540 11.296) 18.425 21.106 ( -9.551 10.751 -10.103) 17.575 21.919 ( 11.620 -1.455 12.674) 17.256 21.953 ( -11.915 -1.887 -11.690) 16.799 22.208 ( -1.443 -1.140 -0.708) 1.971 22.236 ( 2.240 -0.715 3.458) 4.182 22.300 ( 1.224 -2.720 3.623) 4.693 22.372 ( -2.068 -2.523 -0.004) 3.262 22.520 ( 1.690 3.131 0.176) 3.562 22.547 ( -0.914 0.957 -1.613) 2.086 22.872 ( 9.479 -3.782 8.459) 13.256 23.033 ( -3.506 -4.534 -4.412) 7.233 24.360 ( 15.353 7.708 13.525) 21.865 24.513 ( -12.515 7.933 -15.529) 21.464 24.972 ( -0.113 0.138 1.859) 1.868 24.994 ( -3.223 0.104 -1.915) 3.750 25.489 ( -2.047 -3.204 -3.361) 5.074 25.650 ( 7.163 -0.074 3.697) 8.061 25.852 ( 5.132 -6.831 6.239) 10.579 26.236 ( -13.744 -4.853 -14.222) 20.365 26.479 ( -1.286 4.994 0.411) 5.173 26.757 ( 1.164 -2.835 0.449) 3.097 26.977 ( 6.925 0.561 1.631) 7.137 27.270 ( -2.046 0.447 -5.630) 6.007 27.460 ( 4.244 -4.630 -0.801) 6.332 27.543 ( -1.968 -1.275 -3.766) 4.436 27.698 ( 2.042 -0.071 1.044) 2.295 27.843 ( 1.075 0.366 1.261) 1.697 28.101 ( -0.986 1.789 0.738) 2.172 28.185 ( -1.310 2.687 1.731) 3.455 28.332 ( 0.035 0.042 -0.461) 0.464 28.348 ( 0.051 1.544 -0.063) 1.546 28.740 ( -2.971 -1.719 -1.971) 3.958 28.818 ( 2.000 0.465 2.304) 3.086 28.880 ( 5.005 -1.504 2.084) 5.627 29.032 ( -0.400 1.287 -2.861) 3.163 29.224 ( -3.763 -1.536 -0.398) 4.084 29.293 ( -20.322 -1.090 -12.998) 24.148 29.320 ( 2.624 3.931 -0.730) 4.782 29.815 ( -2.479 0.726 4.113) 4.857 29.892 ( 4.369 1.794 0.151) 4.725 29.943 ( -3.630 -1.141 -3.532) 5.191 30.100 ( -4.260 0.424 -7.958) 9.036 30.912 ( 11.177 -26.595 5.051) 29.287 31.168 ( -4.411 1.439 -9.277) 10.373 31.491 ( -1.118 -3.627 -16.136) 16.576 31.682 ( -3.747 3.552 7.237) 8.890 31.815 ( 9.886 1.244 7.826) 12.670 31.918 ( -4.430 2.739 -0.026) 5.208 32.123 ( 4.448 1.101 2.145) 5.059 32.316 ( 5.366 -1.621 11.261) 12.579 32.464 ( 0.875 -7.103 -0.832) 7.205 32.752 ( 2.421 -0.250 10.324) 10.607 32.903 ( -3.934 -2.150 -1.746) 4.811 33.052 ( 6.120 -0.883 -8.233) 10.297 33.206 ( 0.062 0.026 0.149) 0.163 33.315 ( 2.882 2.280 -4.759) 6.013 33.625 ( -2.014 4.826 -1.543) 5.453 33.757 ( -4.873 9.526 5.793) 12.168 34.342 ( 12.547 -0.032 14.110) 18.882 38.478 ( -1.593 -0.835 -2.754) 3.289 38.649 ( 1.145 -6.509 -2.735) 7.152 38.721 ( -1.701 1.889 -1.626) 3.018 39.202 ( -8.105 4.115 2.396) 9.401 39.411 ( 0.455 -0.631 0.972) 1.245 39.762 ( -4.636 6.249 2.886) 8.299 39.777 ( 3.449 11.638 -8.717) 14.945 40.272 ( 3.242 4.980 5.058) 7.803 41.531 ( 0.217 -6.532 1.848) 6.792 41.749 ( -0.570 -3.518 0.187) 3.569 41.870 ( 0.850 9.950 2.067) 10.198 42.550 ( -0.251 -1.063 -5.024) 5.142 42.621 ( 3.429 0.332 0.986) 3.583 42.790 ( 6.660 1.482 -5.093) 8.514 43.086 ( -13.991 -15.345 21.230) 29.697 43.691 ( -9.195 -8.105 -3.379) 12.714 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -14.342 13.327 -18.206) 26.735 2.001 ( 6.510 10.408 8.715) 15.055 2.043 ( 5.371 1.812 8.755) 10.430 2.148 ( 11.194 -3.877 4.340) 12.617 2.468 ( -0.647 -1.762 4.465) 4.844 2.653 ( -5.825 -6.931 0.381) 9.062 2.716 ( -3.848 -0.690 -6.480) 7.568 2.828 ( 2.188 5.912 6.239) 8.869 3.060 ( -4.393 3.377 1.982) 5.885 3.289 ( -7.556 -1.422 -2.357) 8.042 3.363 ( 3.644 -0.577 4.206) 5.595 3.404 ( 3.126 -0.907 5.375) 6.284 3.516 ( -1.691 3.168 0.753) 3.669 3.546 ( 1.896 -7.108 -2.487) 7.766 3.667 ( -1.611 -8.527 1.264) 8.769 3.882 ( -9.275 0.068 -5.229) 10.647 4.041 ( -2.015 -3.597 1.510) 4.391 4.200 ( 0.052 -7.125 -5.164) 8.800 4.279 ( 1.676 -2.029 4.369) 5.100 4.356 ( -0.807 -2.823 0.561) 2.989 4.507 ( 2.950 11.590 -4.283) 12.703 4.606 ( -0.683 1.897 -6.442) 6.750 4.677 ( 2.179 4.368 2.535) 5.501 4.908 ( 0.824 7.230 3.440) 8.049 5.093 ( 5.227 -1.442 -2.638) 6.030 5.167 ( 0.082 4.535 -0.590) 4.574 5.225 ( 7.732 1.693 7.793) 11.108 5.477 ( 4.851 5.422 -1.474) 7.423 5.634 ( -3.287 -4.601 -6.272) 8.445 5.675 ( 3.704 -1.247 5.201) 6.506 5.770 ( -6.042 -4.946 6.917) 10.431 5.898 ( 6.507 -7.726 -3.075) 10.559 6.053 ( -1.378 -2.963 1.649) 3.660 6.088 ( 2.416 1.433 -9.235) 9.652 6.186 ( -2.202 1.752 -5.874) 6.513 6.279 ( 7.261 -2.575 1.758) 7.902 6.290 ( 1.122 -3.587 -1.203) 3.946 6.454 ( -6.121 3.011 3.793) 7.805 6.626 ( 0.571 0.202 -3.204) 3.261 6.665 ( -14.083 -6.364 -3.526) 15.851 6.722 ( -3.136 -2.480 -0.538) 4.034 6.804 ( -7.766 4.351 -2.358) 9.209 7.059 ( 1.706 -13.889 5.095) 14.892 7.189 ( 2.042 4.392 -3.612) 6.042 7.438 ( -3.840 -0.288 -1.427) 4.106 7.509 ( 5.916 -0.604 9.137) 10.901 7.613 ( 1.933 1.995 1.856) 3.341 7.881 ( 3.386 6.463 0.978) 7.361 7.949 ( 1.412 8.958 -0.227) 9.071 8.010 ( -7.393 1.015 -3.571) 8.273 8.238 ( -2.803 -10.397 1.800) 10.918 8.470 ( -0.270 2.036 -2.273) 3.064 8.690 ( -4.408 -0.410 -4.469) 6.291 8.794 ( 3.231 0.419 -1.257) 3.492 8.876 ( 1.368 4.857 -1.047) 5.153 9.029 ( 0.348 -1.153 3.280) 3.494 9.217 ( 0.316 -6.216 -0.581) 6.251 9.470 ( 2.076 -3.785 -8.566) 9.592 9.583 ( 0.187 6.392 -2.382) 6.824 9.769 ( -5.694 4.746 -4.523) 8.683 9.824 ( 3.757 -8.752 4.891) 10.707 9.950 ( 4.904 2.844 3.033) 6.429 10.012 ( 2.366 2.062 -1.288) 3.393 10.183 ( 1.213 4.142 -1.062) 4.444 10.276 ( -6.225 0.855 -4.667) 7.827 10.385 ( 5.278 1.261 5.610) 7.805 10.500 ( -3.459 -7.490 1.098) 8.323 10.830 ( 1.879 2.860 6.667) 7.494 10.958 ( -0.211 1.340 1.936) 2.364 11.032 ( -2.093 1.856 -1.633) 3.239 11.203 ( 0.178 2.320 3.596) 4.284 11.238 ( -5.591 3.461 1.358) 6.715 11.446 ( -5.156 3.516 -0.307) 6.248 11.688 ( -0.201 -2.806 3.727) 4.669 11.832 ( -0.750 -2.296 -4.271) 4.907 12.052 ( 2.424 5.666 3.902) 7.294 12.302 ( 0.961 -2.423 -2.064) 3.325 12.424 ( -0.433 2.340 -6.994) 7.388 12.519 ( -0.160 -1.886 -0.236) 1.908 12.626 ( -1.732 -4.865 -0.440) 5.183 12.810 ( 1.113 3.621 0.073) 3.789 12.968 ( 0.402 0.942 0.655) 1.216 13.120 ( -0.434 -9.522 -0.424) 9.541 13.205 ( -4.933 -6.264 0.839) 8.017 13.305 ( 2.114 3.513 0.148) 4.103 13.416 ( -3.948 -0.109 -1.953) 4.406 13.797 ( 2.643 6.647 0.906) 7.210 13.899 ( 4.584 2.938 3.944) 6.723 14.202 ( -1.998 -7.651 -0.292) 7.913 14.392 ( 5.419 3.419 7.808) 10.101 14.580 ( 0.474 -3.711 -2.200) 4.340 14.665 ( 4.960 1.810 4.151) 6.716 15.012 ( -0.032 1.352 -0.091) 1.355 15.059 ( -1.214 0.404 -2.386) 2.707 15.185 ( -2.825 -1.763 1.226) 3.549 15.398 ( -6.952 4.330 -12.846) 15.234 15.439 ( 2.226 8.508 -3.559) 9.487 15.609 ( 1.472 -0.032 -0.093) 1.475 15.820 ( 0.531 2.986 -4.695) 5.589 15.963 ( -5.876 -5.442 -4.059) 8.979 16.402 ( 2.057 -0.796 3.031) 3.749 16.518 ( 3.296 -5.705 6.910) 9.548 16.719 ( 1.861 -1.191 1.432) 2.633 16.864 ( 6.360 -3.584 6.245) 9.607 17.097 ( -0.997 5.536 -1.376) 5.791 17.308 ( 2.086 -0.405 0.758) 2.256 17.491 ( -3.067 3.530 -1.952) 5.067 17.641 ( -0.944 -1.990 -0.699) 2.311 17.746 ( 1.955 0.584 1.259) 2.398 17.905 ( 8.223 2.898 9.762) 13.089 18.152 ( 0.650 1.912 2.206) 2.991 18.258 ( 10.820 -4.426 10.223) 15.530 18.377 ( 0.606 -8.992 -1.045) 9.073 18.446 ( 1.460 -5.745 -0.020) 5.928 18.684 ( -1.234 5.551 -3.664) 6.765 18.939 ( -9.024 0.383 -7.329) 11.632 19.040 ( 3.213 -5.237 3.515) 7.079 19.155 ( -4.668 5.234 -6.221) 9.375 19.230 ( -0.503 2.626 -1.413) 3.024 19.428 ( -7.167 -1.909 -2.405) 7.797 19.505 ( -7.426 -2.032 -5.677) 9.566 19.663 ( -9.500 -3.586 -7.016) 12.342 19.776 ( -0.291 -0.562 0.814) 1.030 19.842 ( 2.246 1.261 -0.743) 2.680 20.008 ( 6.015 -0.672 6.084) 8.581 20.192 ( -8.035 3.033 -8.214) 11.884 20.301 ( 2.729 5.564 7.008) 9.355 20.709 ( -3.238 -0.100 -6.745) 7.482 20.919 ( -1.080 0.038 -2.416) 2.646 21.401 ( 12.116 6.404 12.375) 18.464 21.529 ( -13.192 -3.458 -10.612) 17.280 22.125 ( -1.316 -1.127 -1.565) 2.335 22.200 ( 2.783 2.732 1.227) 4.088 22.278 ( -0.852 -4.633 1.218) 4.865 22.314 ( 1.427 -2.007 2.714) 3.665 22.446 ( 0.879 1.036 -2.232) 2.613 22.592 ( 2.639 1.725 2.108) 3.792 22.722 ( 14.215 -0.027 17.627) 22.644 23.014 ( 3.155 -0.622 1.760) 3.666 23.379 ( 25.760 -5.439 27.491) 38.064 24.018 ( -19.214 8.709 -22.362) 30.742 24.712 ( 9.476 4.904 7.781) 13.206 24.940 ( -1.905 -0.416 -1.076) 2.227 24.989 ( -0.871 -0.780 1.019) 1.551 25.203 ( -20.895 -2.257 -16.341) 26.622 25.684 ( 4.850 5.454 -5.676) 9.246 25.872 ( -6.379 -2.072 -0.313) 6.715 25.965 ( -2.518 -2.145 -6.425) 7.226 26.567 ( 3.029 -3.379 8.845) 9.941 26.792 ( 0.825 -9.589 -1.858) 9.803 27.027 ( 2.874 3.099 -1.787) 4.589 27.135 ( -3.966 -0.495 -5.428) 6.741 27.504 ( 0.305 2.794 -0.096) 2.812 27.583 ( 7.419 -0.802 2.479) 7.863 27.723 ( 0.172 -0.544 0.412) 0.704 27.937 ( 4.734 -1.402 4.505) 6.683 28.097 ( -0.685 1.302 1.145) 1.865 28.190 ( -0.227 -1.541 1.080) 1.896 28.315 ( 0.176 4.469 -1.436) 4.698 28.389 ( 1.380 -2.125 2.562) 3.603 28.619 ( -12.227 -0.623 -10.562) 16.169 28.690 ( -4.372 -4.688 -9.376) 11.358 28.816 ( -6.043 -2.159 -3.736) 7.426 28.983 ( -4.644 -1.128 -4.878) 6.829 29.024 ( 0.174 4.745 0.262) 4.755 29.125 ( 3.666 5.734 2.565) 7.273 29.538 ( 4.258 3.948 4.980) 7.650 29.859 ( -0.388 -1.819 -1.699) 2.519 29.939 ( 7.191 1.131 2.341) 7.646 29.960 ( 0.052 -1.993 2.899) 3.518 30.045 ( 2.841 1.599 8.789) 9.374 30.778 ( -10.217 -1.897 -7.241) 12.665 31.026 ( -6.534 -4.380 -20.415) 21.878 31.332 ( -2.333 -6.706 -0.640) 7.129 31.815 ( 7.476 7.712 6.451) 12.530 31.843 ( -1.918 3.361 4.328) 5.805 32.041 ( 6.323 1.887 5.093) 8.335 32.210 ( 5.452 -6.127 0.238) 8.205 32.402 ( -4.212 -4.370 0.765) 6.118 32.459 ( -2.859 -6.755 -2.303) 7.688 32.838 ( -0.612 0.861 2.565) 2.774 32.913 ( 1.197 -0.518 9.529) 9.617 33.049 ( 6.116 -2.802 -8.534) 10.867 33.207 ( -1.107 0.425 1.249) 1.723 33.290 ( 2.314 -0.497 -5.061) 5.587 33.629 ( -0.105 -0.751 2.758) 2.860 33.758 ( -2.040 14.403 2.358) 14.736 34.694 ( 10.988 -6.084 11.184) 16.818 38.425 ( -1.609 -2.631 -1.484) 3.422 38.638 ( -0.441 -5.831 0.437) 5.864 38.683 ( 0.293 3.033 -3.003) 4.278 39.148 ( -2.427 -8.538 0.333) 8.882 39.454 ( 0.453 0.861 4.005) 4.121 39.707 ( 0.035 7.222 -4.679) 8.605 39.756 ( -0.920 14.604 0.609) 14.646 40.370 ( 2.209 6.214 3.625) 7.525 41.542 ( -1.008 -6.616 1.023) 6.770 41.736 ( -0.425 -3.817 -0.567) 3.882 41.911 ( 0.711 10.267 2.144) 10.513 42.488 ( -0.562 -1.006 -3.454) 3.641 42.687 ( 3.133 0.551 1.316) 3.442 42.822 ( 4.968 0.360 -3.740) 6.229 43.089 ( -10.013 -8.650 9.867) 16.506 43.509 ( -8.058 -7.348 -3.835) 11.559 ======================= Grid point 13 (10/84) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 0.000 17.321 0.000) 17.321 2.031 ( 0.000 8.205 0.000) 8.205 2.246 ( 0.000 -2.370 -0.000) 2.370 2.415 ( -0.000 -15.040 0.000) 15.040 2.438 ( 0.000 -1.760 0.000) 1.760 2.547 ( 0.000 -0.069 0.000) 0.069 2.620 ( 0.000 -15.503 0.000) 15.503 2.835 ( 0.000 0.392 0.000) 0.392 3.087 ( -0.000 12.739 0.000) 12.739 3.169 ( 0.000 7.202 0.000) 7.202 3.430 ( 0.000 -1.309 0.000) 1.309 3.484 ( 0.000 -1.774 0.000) 1.774 3.500 ( 0.000 -6.177 0.000) 6.177 3.558 ( 0.000 1.657 0.000) 1.657 3.635 ( 0.000 -7.453 0.000) 7.453 3.763 ( 0.000 2.377 0.000) 2.377 4.031 ( 0.000 -7.969 0.000) 7.969 4.162 ( 0.000 -9.898 0.000) 9.898 4.335 ( -0.000 -6.084 -0.000) 6.084 4.349 ( 0.000 0.012 0.000) 0.012 4.513 ( 0.000 15.261 0.000) 15.261 4.538 ( 0.000 3.269 0.000) 3.269 4.726 ( 0.000 6.000 -0.000) 6.000 4.896 ( 0.000 13.495 0.000) 13.495 5.135 ( -0.000 -6.167 -0.000) 6.167 5.156 ( 0.000 3.819 0.000) 3.819 5.456 ( 0.000 0.113 -0.000) 0.113 5.494 ( -0.000 5.425 0.000) 5.425 5.570 ( 0.000 -2.271 0.000) 2.271 5.717 ( 0.000 0.906 0.000) 0.906 5.858 ( 0.000 -6.427 -0.000) 6.427 5.868 ( -0.000 -3.125 0.000) 3.125 5.980 ( 0.000 -0.903 0.000) 0.903 6.042 ( 0.000 -6.949 0.000) 6.949 6.207 ( 0.000 -5.786 0.000) 5.786 6.242 ( 0.000 -4.537 -0.000) 4.537 6.392 ( 0.000 6.590 0.000) 6.590 6.402 ( -0.000 -2.973 -0.000) 2.973 6.509 ( 0.000 2.668 0.000) 2.668 6.614 ( 0.000 1.163 0.000) 1.163 6.659 ( -0.000 0.301 0.000) 0.301 6.721 ( 0.000 0.187 -0.000) 0.187 7.068 ( 0.000 -4.467 0.000) 4.467 7.256 ( 0.000 -4.723 0.000) 4.723 7.383 ( 0.000 0.786 0.000) 0.786 7.597 ( 0.000 5.010 0.000) 5.010 7.677 ( 0.000 7.566 -0.000) 7.566 7.907 ( -0.000 2.303 0.000) 2.303 7.920 ( 0.000 6.677 -0.000) 6.677 8.000 ( 0.000 -12.280 0.000) 12.280 8.212 ( 0.000 -13.074 0.000) 13.074 8.448 ( 0.000 2.465 0.000) 2.465 8.604 ( 0.000 7.034 0.000) 7.034 8.795 ( 0.000 1.624 0.000) 1.624 8.892 ( 0.000 5.430 0.000) 5.430 9.076 ( 0.000 -0.134 0.000) 0.134 9.219 ( 0.000 -10.016 0.000) 10.016 9.418 ( 0.000 -9.234 0.000) 9.234 9.606 ( -0.000 13.718 -0.000) 13.718 9.630 ( 0.000 6.610 0.000) 6.610 9.903 ( 0.000 -12.787 0.000) 12.787 10.013 ( 0.000 2.515 0.000) 2.515 10.027 ( -0.000 8.745 0.000) 8.745 10.136 ( 0.000 2.456 0.000) 2.456 10.246 ( 0.000 6.314 0.000) 6.314 10.437 ( 0.000 -7.729 0.000) 7.729 10.508 ( -0.000 -6.881 0.000) 6.881 10.928 ( -0.000 -3.957 -0.000) 3.957 10.954 ( 0.000 8.420 0.000) 8.420 10.962 ( 0.000 2.135 -0.000) 2.135 11.193 ( 0.000 2.706 0.000) 2.706 11.250 ( 0.000 5.951 0.000) 5.951 11.402 ( 0.000 3.929 0.000) 3.929 11.726 ( 0.000 -8.243 0.000) 8.243 11.778 ( 0.000 0.622 -0.000) 0.622 12.118 ( 0.000 8.742 0.000) 8.742 12.302 ( 0.000 -0.744 0.000) 0.744 12.343 ( 0.000 2.512 0.000) 2.512 12.529 ( 0.000 1.597 0.000) 1.597 12.599 ( 0.000 -12.108 0.000) 12.108 12.827 ( 0.000 4.611 0.000) 4.611 12.972 ( 0.000 -1.093 0.000) 1.093 13.117 ( -0.000 -10.952 0.000) 10.952 13.167 ( 0.000 -7.329 -0.000) 7.329 13.339 ( 0.000 4.656 0.000) 4.656 13.355 ( 0.000 -0.125 0.000) 0.125 13.824 ( 0.000 10.666 0.000) 10.666 13.957 ( 0.000 1.041 0.000) 1.041 14.188 ( 0.000 -8.280 0.000) 8.280 14.508 ( 0.000 2.263 0.000) 2.263 14.557 ( 0.000 -4.910 0.000) 4.910 14.813 ( 0.000 1.559 0.000) 1.559 14.896 ( 0.000 2.914 -0.000) 2.914 15.127 ( -0.000 -3.540 -0.000) 3.540 15.158 ( 0.000 1.230 0.000) 1.230 15.187 ( 0.000 8.248 -0.000) 8.248 15.437 ( 0.000 11.319 0.000) 11.319 15.633 ( 0.000 -2.581 0.000) 2.581 15.799 ( -0.000 2.017 0.000) 2.017 15.874 ( 0.000 -3.778 0.000) 3.778 16.449 ( 0.000 -0.531 0.000) 0.531 16.565 ( 0.000 -9.035 0.000) 9.035 16.785 ( 0.000 0.722 0.000) 0.722 16.904 ( 0.000 -10.099 0.000) 10.099 17.128 ( 0.000 5.160 0.000) 5.160 17.344 ( 0.000 3.495 0.000) 3.495 17.446 ( 0.000 2.346 0.000) 2.346 17.608 ( 0.000 1.440 0.000) 1.440 17.783 ( 0.000 1.513 0.000) 1.513 18.115 ( 0.000 1.137 0.000) 1.137 18.205 ( 0.000 -1.555 -0.000) 1.555 18.355 ( 0.000 -2.924 0.000) 2.924 18.402 ( 0.000 3.053 -0.000) 3.053 18.414 ( 0.000 -7.985 0.000) 7.985 18.609 ( 0.000 2.724 0.000) 2.724 19.001 ( -0.000 -1.980 -0.000) 1.980 19.006 ( 0.000 -7.357 0.000) 7.357 19.069 ( 0.000 1.520 0.000) 1.520 19.175 ( 0.000 -2.586 0.000) 2.586 19.282 ( 0.000 0.769 0.000) 0.769 19.354 ( 0.000 -3.086 0.000) 3.086 19.576 ( 0.000 0.088 0.000) 0.088 19.797 ( 0.000 -2.410 -0.000) 2.410 19.827 ( 0.000 -0.650 0.000) 0.650 20.091 ( -0.000 -0.859 -0.000) 0.859 20.092 ( 0.000 10.762 0.000) 10.762 20.481 ( -0.000 4.651 -0.000) 4.651 20.538 ( 0.000 1.410 0.000) 1.410 20.913 ( 0.000 -2.730 0.000) 2.730 21.362 ( 0.000 -3.678 0.000) 3.678 21.567 ( 0.000 4.367 0.000) 4.367 22.097 ( 0.000 -1.172 0.000) 1.172 22.221 ( 0.000 4.586 0.000) 4.586 22.279 ( 0.000 -6.323 0.000) 6.323 22.348 ( 0.000 -2.559 0.000) 2.559 22.433 ( 0.000 3.306 0.000) 3.306 22.620 ( 0.000 0.488 0.000) 0.488 22.950 ( 0.000 -5.355 0.000) 5.355 23.262 ( 0.000 0.706 0.000) 0.706 23.526 ( 0.000 14.054 0.000) 14.054 23.992 ( 0.000 -7.598 0.000) 7.598 24.580 ( 0.000 -5.573 0.000) 5.573 24.887 ( 0.000 2.745 -0.000) 2.745 24.971 ( 0.000 7.561 -0.000) 7.561 25.007 ( 0.000 -0.512 0.000) 0.512 25.714 ( 0.000 4.912 0.000) 4.912 25.773 ( 0.000 2.750 0.000) 2.750 25.923 ( 0.000 -1.997 0.000) 1.997 26.689 ( 0.000 -12.639 0.000) 12.639 26.735 ( 0.000 -11.007 -0.000) 11.007 27.056 ( 0.000 1.167 0.000) 1.167 27.064 ( -0.000 8.073 0.000) 8.073 27.505 ( 0.000 3.582 -0.000) 3.582 27.667 ( 0.000 3.748 0.000) 3.748 27.721 ( -0.000 -6.275 0.000) 6.275 28.011 ( 0.000 3.078 0.000) 3.078 28.135 ( 0.000 0.872 0.000) 0.872 28.200 ( 0.000 -2.179 0.000) 2.179 28.298 ( 0.000 4.102 0.000) 4.102 28.400 ( -0.000 0.895 0.000) 0.895 28.437 ( 0.000 -2.777 0.000) 2.777 28.550 ( 0.000 -14.368 0.000) 14.368 28.752 ( 0.000 4.665 0.000) 4.665 28.924 ( 0.000 -0.854 0.000) 0.854 29.029 ( 0.000 4.017 0.000) 4.017 29.210 ( 0.000 6.830 0.000) 6.830 29.582 ( 0.000 2.706 0.000) 2.706 29.851 ( -0.000 -0.363 0.000) 0.363 29.902 ( 0.000 -4.721 0.000) 4.721 30.034 ( 0.000 1.276 0.000) 1.276 30.306 ( 0.000 0.975 0.000) 0.975 30.638 ( 0.000 3.747 0.000) 3.747 30.716 ( 0.000 -2.222 -0.000) 2.222 31.305 ( 0.000 -4.326 0.000) 4.326 31.821 ( 0.000 2.642 0.000) 2.642 32.010 ( 0.000 7.959 0.000) 7.959 32.194 ( -0.000 -0.898 -0.000) 0.898 32.205 ( 0.000 -0.980 0.000) 0.980 32.322 ( 0.000 0.441 0.000) 0.441 32.379 ( 0.000 -17.095 0.000) 17.095 32.882 ( 0.000 0.442 -0.000) 0.442 33.005 ( -0.000 -3.392 0.000) 3.392 33.014 ( 0.000 -0.748 -0.000) 0.748 33.206 ( 0.000 2.452 0.000) 2.452 33.273 ( 0.000 -3.060 0.000) 3.060 33.651 ( 0.000 -6.310 0.000) 6.310 33.757 ( 0.000 20.056 0.000) 20.056 34.858 ( 0.000 -8.593 0.000) 8.593 38.403 ( 0.000 -3.148 0.000) 3.148 38.646 ( 0.000 -8.629 -0.000) 8.629 38.658 ( -0.000 6.122 0.000) 6.122 39.133 ( 0.000 -11.824 0.000) 11.824 39.491 ( 0.000 -0.802 -0.000) 0.802 39.672 ( 0.000 10.471 0.000) 10.471 39.753 ( 0.000 14.644 0.000) 14.644 40.412 ( 0.000 6.746 0.000) 6.746 41.539 ( 0.000 -6.289 0.000) 6.289 41.729 ( 0.000 -3.958 -0.000) 3.958 41.931 ( 0.000 9.965 0.000) 9.965 42.461 ( 0.000 -1.127 0.000) 1.127 42.724 ( 0.000 0.509 0.000) 0.509 42.836 ( 0.000 -0.110 -0.000) 0.110 43.072 ( -0.000 -6.795 0.000) 6.795 43.415 ( 0.000 -6.801 0.000) 6.801 ======================= Grid point 18 (11/84) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 0.000 29.224 0.000) 29.224 1.550 ( 0.000 35.797 0.000) 35.797 2.108 ( 0.000 12.911 0.000) 12.911 2.326 ( 0.000 22.154 0.000) 22.154 2.462 ( 0.000 3.108 0.000) 3.108 2.620 ( 0.000 -1.237 0.000) 1.237 2.829 ( 0.000 3.102 0.000) 3.102 3.018 ( 0.000 -0.938 0.000) 0.938 3.040 ( 0.000 10.335 0.000) 10.335 3.200 ( 0.000 5.176 0.000) 5.176 3.367 ( 0.000 -9.287 0.000) 9.287 3.495 ( 0.000 -0.652 0.000) 0.652 3.613 ( 0.000 8.348 0.000) 8.348 3.640 ( 0.000 -4.616 0.000) 4.616 3.836 ( 0.000 -2.190 0.000) 2.190 3.841 ( 0.000 1.677 0.000) 1.677 3.889 ( 0.000 -2.025 0.000) 2.025 4.291 ( 0.000 -4.501 0.000) 4.501 4.315 ( 0.000 2.756 0.000) 2.756 4.408 ( 0.000 1.103 0.000) 1.103 4.497 ( 0.000 -10.673 0.000) 10.673 4.596 ( 0.000 -0.078 0.000) 0.078 4.848 ( 0.000 -2.528 0.000) 2.528 4.909 ( 0.000 -6.391 0.000) 6.391 5.142 ( 0.000 3.028 0.000) 3.028 5.217 ( 0.000 -2.660 0.000) 2.660 5.251 ( 0.000 4.074 0.000) 4.074 5.458 ( 0.000 4.838 0.000) 4.838 5.462 ( 0.000 3.005 0.000) 3.005 5.596 ( 0.000 2.400 0.000) 2.400 5.705 ( 0.000 1.617 0.000) 1.617 5.961 ( 0.000 -1.318 0.000) 1.318 5.986 ( 0.000 8.871 0.000) 8.871 6.149 ( 0.000 1.365 0.000) 1.365 6.188 ( 0.000 3.922 0.000) 3.922 6.222 ( 0.000 9.051 0.000) 9.051 6.303 ( 0.000 -12.035 0.000) 12.035 6.475 ( 0.000 -1.628 0.000) 1.628 6.663 ( 0.000 1.219 0.000) 1.219 6.850 ( 0.000 -7.347 0.000) 7.347 6.956 ( 0.000 -4.628 0.000) 4.628 6.988 ( 0.000 -4.882 0.000) 4.882 7.106 ( 0.000 -3.353 0.000) 3.353 7.192 ( 0.000 -5.109 0.000) 5.109 7.226 ( 0.000 -2.107 0.000) 2.107 7.466 ( 0.000 3.171 0.000) 3.171 7.599 ( 0.000 -6.948 0.000) 6.948 7.622 ( 0.000 -2.325 0.000) 2.325 8.005 ( 0.000 -12.603 0.000) 12.603 8.160 ( 0.000 0.829 0.000) 0.829 8.184 ( 0.000 -3.141 0.000) 3.141 8.401 ( 0.000 -12.964 0.000) 12.964 8.734 ( 0.000 9.078 0.000) 9.078 8.819 ( 0.000 -3.885 0.000) 3.885 9.120 ( 0.000 -3.375 0.000) 3.375 9.149 ( 0.000 -11.262 0.000) 11.262 9.248 ( 0.000 2.455 0.000) 2.455 9.299 ( 0.000 2.513 0.000) 2.513 9.536 ( 0.000 5.864 0.000) 5.864 9.569 ( 0.000 -6.579 0.000) 6.579 9.732 ( 0.000 15.831 0.000) 15.831 9.857 ( 0.000 -2.234 0.000) 2.234 10.040 ( 0.000 -4.053 0.000) 4.053 10.287 ( 0.000 3.358 0.000) 3.358 10.388 ( 0.000 2.596 0.000) 2.596 10.484 ( 0.000 2.710 0.000) 2.710 10.554 ( 0.000 -0.234 0.000) 0.234 10.656 ( 0.000 -0.195 0.000) 0.195 10.888 ( 0.000 -0.637 0.000) 0.637 10.963 ( 0.000 -12.147 0.000) 12.147 11.077 ( 0.000 10.201 0.000) 10.201 11.476 ( 0.000 0.350 0.000) 0.350 11.556 ( 0.000 -9.089 0.000) 9.089 11.670 ( 0.000 -4.980 0.000) 4.980 11.962 ( 0.000 4.846 0.000) 4.846 12.134 ( 0.000 -2.636 0.000) 2.636 12.306 ( 0.000 -0.393 0.000) 0.393 12.306 ( 0.000 3.102 0.000) 3.102 12.650 ( 0.000 -0.462 0.000) 0.462 12.650 ( 0.000 9.314 0.000) 9.314 12.768 ( 0.000 1.584 0.000) 1.584 13.079 ( 0.000 -7.989 0.000) 7.989 13.219 ( 0.000 -7.428 0.000) 7.428 13.226 ( 0.000 2.549 0.000) 2.549 13.314 ( 0.000 -0.760 0.000) 0.760 13.400 ( 0.000 3.498 0.000) 3.498 13.630 ( 0.000 6.864 0.000) 6.864 13.779 ( 0.000 4.672 0.000) 4.672 14.139 ( 0.000 6.261 0.000) 6.261 14.240 ( 0.000 -5.131 0.000) 5.131 14.516 ( 0.000 8.730 0.000) 8.730 14.800 ( 0.000 0.128 0.000) 0.128 15.040 ( 0.000 -4.191 0.000) 4.191 15.099 ( 0.000 4.168 0.000) 4.168 15.230 ( 0.000 -4.383 0.000) 4.383 15.387 ( 0.000 7.988 0.000) 7.988 15.493 ( 0.000 3.488 0.000) 3.488 15.728 ( 0.000 0.640 0.000) 0.640 15.927 ( 0.000 7.655 0.000) 7.655 16.056 ( 0.000 -7.053 0.000) 7.053 16.328 ( 0.000 -1.784 0.000) 1.784 16.495 ( 0.000 -10.746 0.000) 10.746 16.635 ( 0.000 -4.898 0.000) 4.898 16.648 ( 0.000 -4.162 0.000) 4.162 17.081 ( 0.000 9.174 0.000) 9.174 17.360 ( 0.000 4.911 0.000) 4.911 17.460 ( 0.000 -3.072 0.000) 3.072 17.594 ( 0.000 -4.101 0.000) 4.101 17.908 ( 0.000 8.240 0.000) 8.240 18.024 ( 0.000 -0.936 0.000) 0.936 18.148 ( 0.000 6.293 0.000) 6.293 18.171 ( 0.000 -1.278 0.000) 1.278 18.402 ( 0.000 -0.449 0.000) 0.449 18.582 ( 0.000 -7.368 0.000) 7.368 18.649 ( 0.000 4.019 0.000) 4.019 18.814 ( 0.000 -11.039 0.000) 11.039 19.017 ( 0.000 -3.265 0.000) 3.265 19.112 ( 0.000 -1.126 0.000) 1.126 19.293 ( 0.000 -1.486 0.000) 1.486 19.348 ( 0.000 4.805 0.000) 4.805 19.356 ( 0.000 -6.160 0.000) 6.160 19.642 ( 0.000 -0.217 0.000) 0.217 19.772 ( 0.000 3.599 0.000) 3.599 19.825 ( 0.000 -0.761 0.000) 0.761 20.028 ( 0.000 5.870 0.000) 5.870 20.136 ( 0.000 5.366 0.000) 5.366 20.604 ( 0.000 14.754 0.000) 14.754 20.636 ( 0.000 -4.165 0.000) 4.165 20.844 ( 0.000 -8.279 0.000) 8.279 21.273 ( 0.000 -4.758 0.000) 4.758 21.738 ( 0.000 7.817 0.000) 7.817 22.048 ( 0.000 -5.796 0.000) 5.796 22.049 ( 0.000 -0.319 0.000) 0.319 22.215 ( 0.000 5.345 0.000) 5.345 22.282 ( 0.000 -6.499 0.000) 6.499 22.476 ( 0.000 3.368 0.000) 3.368 22.524 ( 0.000 -2.717 0.000) 2.717 22.627 ( 0.000 -2.240 0.000) 2.240 23.223 ( 0.000 2.608 0.000) 2.608 23.555 ( 0.000 -12.143 0.000) 12.143 23.737 ( 0.000 14.133 0.000) 14.133 24.673 ( 0.000 -10.717 0.000) 10.717 24.955 ( 0.000 1.730 0.000) 1.730 25.069 ( 0.000 -2.608 0.000) 2.608 25.182 ( 0.000 12.710 0.000) 12.710 25.618 ( 0.000 5.752 0.000) 5.752 25.625 ( 0.000 -0.694 0.000) 0.694 26.292 ( 0.000 -15.538 0.000) 15.538 26.447 ( 0.000 -1.630 0.000) 1.630 26.712 ( 0.000 -1.652 0.000) 1.652 27.264 ( 0.000 -2.053 0.000) 2.053 27.315 ( 0.000 1.666 0.000) 1.666 27.429 ( 0.000 -4.447 0.000) 4.447 27.462 ( 0.000 -6.940 0.000) 6.940 27.817 ( 0.000 3.849 0.000) 3.849 28.046 ( 0.000 2.054 0.000) 2.054 28.109 ( 0.000 1.029 0.000) 1.029 28.181 ( 0.000 -1.515 0.000) 1.515 28.328 ( 0.000 -5.162 0.000) 5.162 28.375 ( 0.000 -2.706 0.000) 2.706 28.410 ( 0.000 5.859 0.000) 5.859 28.765 ( 0.000 0.679 0.000) 0.679 28.839 ( 0.000 1.673 0.000) 1.673 28.930 ( 0.000 6.107 0.000) 6.107 29.080 ( 0.000 -3.663 0.000) 3.663 29.212 ( 0.000 2.209 0.000) 2.209 29.602 ( 0.000 1.611 0.000) 1.611 29.801 ( 0.000 -3.708 0.000) 3.708 29.979 ( 0.000 7.483 0.000) 7.483 30.057 ( 0.000 0.671 0.000) 0.671 30.698 ( 0.000 5.694 0.000) 5.694 30.804 ( 0.000 1.496 0.000) 1.496 31.091 ( 0.000 -6.278 0.000) 6.278 31.172 ( 0.000 -9.695 0.000) 9.695 31.432 ( 0.000 -6.126 0.000) 6.126 31.461 ( 0.000 -7.608 0.000) 7.608 32.011 ( 0.000 6.616 0.000) 6.616 32.176 ( 0.000 5.340 0.000) 5.340 32.288 ( 0.000 -0.934 0.000) 0.934 32.309 ( 0.000 0.538 0.000) 0.538 32.673 ( 0.000 -0.017 0.000) 0.017 32.729 ( 0.000 -3.017 0.000) 3.017 33.051 ( 0.000 -3.383 0.000) 3.383 33.164 ( 0.000 -1.823 0.000) 1.823 33.599 ( 0.000 7.968 0.000) 7.968 33.708 ( 0.000 1.887 0.000) 1.887 33.877 ( 0.000 5.481 0.000) 5.481 34.157 ( 0.000 -2.998 0.000) 2.998 38.581 ( 0.000 -4.605 0.000) 4.605 38.640 ( 0.000 -7.087 0.000) 7.087 38.702 ( 0.000 9.350 0.000) 9.350 39.284 ( 0.000 -8.906 0.000) 8.906 39.878 ( 0.000 4.074 0.000) 4.074 39.941 ( 0.000 4.716 0.000) 4.716 40.183 ( 0.000 4.871 0.000) 4.871 40.283 ( 0.000 -1.094 0.000) 1.094 41.425 ( 0.000 -3.046 0.000) 3.046 41.455 ( 0.000 -3.439 0.000) 3.439 41.987 ( 0.000 7.026 0.000) 7.026 42.226 ( 0.000 0.577 0.000) 0.577 42.554 ( 0.000 0.718 0.000) 0.718 42.636 ( 0.000 -2.000 0.000) 2.000 42.888 ( 0.000 9.723 0.000) 9.723 43.664 ( 0.000 -14.089 0.000) 14.089 ======================= Grid point 19 (12/84) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 6.762 24.170 12.064) 27.847 1.596 ( 9.250 30.495 2.541) 31.968 2.206 ( 1.311 7.128 5.283) 8.968 2.391 ( 2.804 17.251 5.754) 18.401 2.498 ( 3.944 2.995 3.668) 6.162 2.627 ( -5.723 -1.690 2.354) 6.415 2.783 ( 0.223 -1.301 -1.032) 1.675 2.943 ( -5.553 5.091 -0.489) 7.549 3.109 ( 1.678 -2.696 -0.380) 3.198 3.223 ( 5.052 7.965 -3.609) 10.099 3.370 ( -5.742 -4.787 1.807) 7.691 3.452 ( -8.475 -3.679 2.536) 9.581 3.513 ( -1.826 10.197 5.112) 11.552 3.659 ( -6.971 -0.732 -5.935) 9.185 3.734 ( -2.043 2.103 0.228) 2.941 3.856 ( -2.489 -0.638 1.408) 2.930 3.969 ( 5.007 -4.055 2.913) 7.071 4.311 ( 2.196 -3.420 -7.553) 8.577 4.325 ( -3.901 -0.580 2.146) 4.490 4.373 ( -0.353 2.567 1.812) 3.162 4.496 ( 2.299 -1.861 1.168) 3.180 4.569 ( 2.798 -0.363 -5.533) 6.211 4.809 ( -5.099 -8.285 3.047) 10.194 4.955 ( 2.204 0.320 -2.538) 3.376 4.998 ( -6.738 -3.221 -6.171) 9.688 5.119 ( 0.023 3.413 -5.699) 6.643 5.345 ( 4.498 0.608 4.817) 6.619 5.447 ( -1.070 3.146 -0.626) 3.382 5.513 ( -5.976 2.342 -0.610) 6.448 5.604 ( 6.821 11.387 -1.833) 13.399 5.753 ( 3.708 -2.106 4.997) 6.569 5.866 ( -2.831 -2.594 -6.950) 7.940 6.001 ( -1.269 -5.476 4.787) 7.384 6.130 ( -0.519 2.438 -5.165) 5.735 6.173 ( 3.677 4.201 -1.712) 5.840 6.228 ( -6.647 2.943 1.129) 7.357 6.332 ( 6.350 -4.634 4.692) 9.155 6.483 ( 0.989 -7.409 -1.150) 7.563 6.642 ( -1.894 1.801 -1.079) 2.828 6.729 ( -3.883 -4.125 -6.895) 8.924 6.901 ( -11.771 -1.126 -4.708) 12.727 6.955 ( 0.158 -2.215 0.095) 2.223 7.003 ( -4.522 -6.400 -1.518) 7.982 7.090 ( -5.387 -0.560 1.088) 5.525 7.348 ( 1.558 -4.333 3.700) 5.907 7.582 ( -1.659 -6.348 -1.824) 6.810 7.656 ( 6.846 0.244 -0.268) 6.855 7.750 ( 8.313 0.275 18.134) 19.950 8.000 ( 4.591 -11.148 -5.626) 13.305 8.054 ( -4.840 5.191 -3.683) 7.996 8.279 ( 3.282 -5.505 4.175) 7.649 8.364 ( -0.003 -2.983 1.424) 3.306 8.724 ( -1.363 -2.716 -2.030) 3.654 8.834 ( -1.184 9.109 0.831) 9.223 8.956 ( -7.382 -8.325 -4.810) 12.122 9.125 ( -2.524 -0.604 -4.059) 4.818 9.295 ( 3.974 -1.202 -1.078) 4.289 9.381 ( 6.815 1.947 1.186) 7.186 9.594 ( 5.279 0.369 2.830) 6.001 9.646 ( 0.673 4.289 -3.576) 5.625 9.697 ( 6.529 -0.371 -1.999) 6.838 9.954 ( 5.309 -1.472 5.207) 7.581 9.991 ( -1.516 4.034 -0.865) 4.395 10.243 ( -3.625 3.007 -2.058) 5.140 10.337 ( 0.165 -5.128 -8.208) 9.680 10.430 ( -1.018 5.466 -1.033) 5.655 10.606 ( -1.012 -2.988 -2.095) 3.787 10.647 ( 0.816 3.156 4.566) 5.610 10.845 ( -1.425 -3.934 -0.041) 4.185 11.020 ( 0.216 -2.747 4.952) 5.667 11.139 ( 1.706 4.543 3.130) 5.774 11.453 ( -4.284 0.585 0.430) 4.345 11.541 ( 1.043 -9.708 -1.018) 9.817 11.641 ( -2.163 -3.112 -0.126) 3.792 11.950 ( -5.110 7.586 3.455) 9.777 12.157 ( -3.122 2.905 -1.961) 4.693 12.186 ( 1.591 -5.686 -4.319) 7.315 12.335 ( -2.470 -0.902 3.255) 4.184 12.673 ( 3.833 6.331 -2.459) 7.799 12.700 ( 1.297 2.002 3.448) 4.193 12.767 ( 0.597 1.875 -0.099) 1.970 13.069 ( -1.205 -5.140 -0.711) 5.327 13.168 ( -3.500 1.248 -2.868) 4.694 13.209 ( -4.077 -7.220 1.906) 8.508 13.321 ( 1.941 3.344 -0.079) 3.867 13.495 ( 8.000 0.110 1.319) 8.109 13.631 ( -0.741 5.608 1.387) 5.825 13.754 ( 0.902 2.553 -2.812) 3.903 14.150 ( -1.436 1.091 0.424) 1.852 14.226 ( -0.420 2.199 3.748) 4.366 14.557 ( 2.157 4.348 1.675) 5.135 14.713 ( -5.068 -0.610 -4.889) 7.068 15.081 ( -0.300 4.885 -1.013) 4.997 15.110 ( 2.145 -5.530 3.674) 6.977 15.207 ( -2.808 -1.066 0.537) 3.051 15.376 ( -2.792 0.886 -4.152) 5.081 15.490 ( 5.681 8.524 1.593) 10.367 15.804 ( 4.272 -0.892 2.396) 4.979 15.954 ( 2.582 6.545 -0.888) 7.091 16.028 ( -0.321 -5.530 -3.151) 6.372 16.265 ( -2.860 -1.899 -3.578) 4.958 16.436 ( -4.944 -11.206 -3.565) 12.756 16.580 ( 2.141 0.117 2.660) 3.417 16.780 ( 0.678 -4.597 2.463) 5.259 17.083 ( 2.592 8.693 1.622) 9.215 17.401 ( 3.119 1.739 0.646) 3.629 17.497 ( -0.885 1.181 3.000) 3.343 17.594 ( -7.080 4.629 -5.016) 9.835 17.711 ( 5.232 -0.603 5.482) 7.603 17.996 ( -12.378 -2.389 -12.494) 17.749 18.061 ( -5.862 2.638 -6.410) 9.078 18.109 ( 0.248 -3.544 -3.373) 4.899 18.194 ( -5.629 -1.540 -4.149) 7.160 18.556 ( -2.380 -10.284 -3.846) 11.235 18.730 ( 3.656 4.350 0.218) 5.687 19.013 ( 15.510 0.781 12.146) 19.715 19.048 ( -1.189 -0.181 -1.042) 1.591 19.167 ( 1.027 2.339 1.973) 3.228 19.272 ( -0.545 -1.857 1.122) 2.237 19.396 ( 0.351 -4.667 6.523) 8.028 19.575 ( 5.043 -0.158 8.220) 9.645 19.705 ( 4.124 1.309 1.708) 4.652 19.766 ( 1.628 -0.053 7.803) 7.972 19.832 ( 0.685 -0.802 -0.197) 1.073 20.013 ( 0.522 4.462 -2.518) 5.150 20.174 ( 2.394 4.978 -0.531) 5.549 20.413 ( -4.909 1.253 -3.583) 6.205 20.726 ( -7.043 -7.663 -6.677) 12.366 20.860 ( 9.162 9.056 10.606) 16.686 21.445 ( 10.367 -4.698 13.523) 17.675 21.641 ( -8.470 10.760 -6.787) 15.284 22.079 ( 2.857 -2.053 2.715) 4.444 22.113 ( 3.192 -3.685 3.920) 6.256 22.212 ( -1.919 -0.555 -4.923) 5.313 22.244 ( -1.903 -3.148 -0.394) 3.699 22.453 ( -3.651 -0.361 -3.820) 5.296 22.539 ( 0.962 -1.661 0.585) 2.007 22.595 ( -1.097 1.459 -1.376) 2.286 22.903 ( -12.186 1.930 -11.542) 16.895 23.180 ( -17.879 -10.447 -18.637) 27.859 24.106 ( 19.187 12.699 16.134) 28.102 24.889 ( 2.522 -0.198 1.023) 2.729 24.965 ( 1.494 -1.456 3.648) 4.203 25.026 ( -2.234 -3.305 0.344) 4.004 25.235 ( 4.857 3.669 7.636) 9.765 25.542 ( -2.005 1.366 -4.111) 4.773 25.717 ( 7.061 2.773 0.905) 7.640 26.269 ( -2.051 -17.334 -4.377) 17.995 26.456 ( 0.643 1.827 3.323) 3.846 26.804 ( 5.606 -2.375 4.471) 7.553 27.034 ( -11.316 5.351 -11.193) 16.792 27.356 ( 1.509 -2.958 -1.315) 3.572 27.376 ( -0.992 -4.517 -3.612) 5.868 27.462 ( 1.188 -3.888 0.029) 4.066 27.717 ( -3.574 2.614 -3.365) 5.562 27.931 ( -3.614 -0.068 -4.281) 5.602 28.144 ( 0.089 3.112 0.351) 3.133 28.286 ( 0.205 1.217 1.870) 2.240 28.340 ( -1.435 1.245 -0.745) 2.040 28.396 ( 0.297 0.350 -1.463) 1.533 28.580 ( 13.076 -1.883 10.052) 16.601 28.760 ( -2.017 -0.514 3.113) 3.745 28.831 ( 0.596 3.208 -0.511) 3.302 29.006 ( 2.654 -1.459 2.332) 3.822 29.099 ( 3.142 0.136 5.140) 6.026 29.336 ( 5.341 -5.386 5.845) 9.576 29.562 ( -3.829 1.743 -3.419) 5.421 29.804 ( 1.643 -4.447 -0.526) 4.770 29.945 ( -3.728 4.017 -5.029) 7.438 30.038 ( -2.961 1.019 -0.540) 3.178 30.358 ( -12.383 -0.247 -15.928) 20.177 30.449 ( -3.886 -2.186 -19.772) 20.268 31.304 ( 4.039 -2.264 0.145) 4.633 31.422 ( 10.034 -6.055 -4.113) 12.420 31.513 ( 4.473 -4.056 15.262) 16.413 31.554 ( 4.238 -4.814 14.757) 16.090 31.994 ( -0.195 5.988 2.277) 6.410 32.171 ( -4.461 1.370 -1.947) 5.056 32.214 ( -0.105 4.336 2.177) 4.853 32.395 ( 0.333 -1.511 3.477) 3.805 32.657 ( -0.923 0.969 2.664) 2.982 32.788 ( 4.687 -4.119 1.148) 6.344 33.050 ( -0.251 -2.326 -0.135) 2.343 33.187 ( 2.766 -2.441 -0.298) 3.701 33.483 ( 0.647 6.756 -13.593) 15.193 33.677 ( -0.379 -0.761 -6.588) 6.643 33.949 ( -1.912 6.921 9.184) 11.658 34.161 ( -3.266 0.830 9.172) 9.772 38.552 ( -0.814 -3.814 -3.185) 5.035 38.649 ( 0.741 -4.087 -0.253) 4.161 38.670 ( 0.205 5.373 -4.754) 7.177 39.243 ( 0.424 -9.618 -7.474) 12.187 39.757 ( -18.727 9.189 -0.134) 20.860 39.877 ( -3.447 2.654 -1.177) 4.507 40.099 ( -3.506 12.283 -4.540) 13.556 40.247 ( 3.395 4.128 4.012) 6.683 41.420 ( 0.648 -2.596 0.865) 2.812 41.599 ( 2.111 -8.311 6.216) 10.591 42.004 ( 1.726 8.232 0.951) 8.465 42.407 ( 6.606 -9.302 9.525) 14.862 42.580 ( 3.369 1.157 0.270) 3.572 42.675 ( 3.321 -2.743 4.527) 6.249 42.877 ( -2.264 8.310 1.101) 8.682 43.615 ( -4.624 -13.948 -2.174) 14.854 ======================= Grid point 20 (13/84) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 10.856 18.587 6.754) 22.560 1.862 ( 10.040 14.859 9.570) 20.327 2.245 ( -0.852 11.473 2.009) 11.679 2.445 ( -8.164 1.306 -2.768) 8.719 2.508 ( -0.014 11.048 -3.545) 11.603 2.648 ( -1.975 -2.256 3.273) 4.439 2.798 ( 2.318 4.542 4.735) 6.959 2.890 ( -11.729 0.768 -3.502) 12.265 2.985 ( -1.719 -1.804 1.017) 2.691 3.215 ( 1.339 -3.017 0.113) 3.303 3.267 ( -5.903 -5.634 3.391) 8.837 3.365 ( -9.955 -4.621 1.623) 11.094 3.488 ( -3.472 -3.267 -1.889) 5.128 3.564 ( -5.487 -2.936 1.512) 6.404 3.687 ( -3.403 6.959 -0.514) 7.764 3.930 ( -1.964 -3.811 3.170) 5.332 4.017 ( 2.800 3.196 2.485) 4.922 4.156 ( -1.302 -2.540 -3.785) 4.741 4.301 ( -4.905 0.165 -4.382) 6.579 4.362 ( 2.737 1.475 -5.307) 6.151 4.591 ( 4.597 3.506 3.281) 6.647 4.621 ( 4.527 -2.217 3.683) 6.243 4.732 ( -4.291 -3.397 -5.016) 7.424 4.854 ( 0.310 1.183 -3.772) 3.966 5.008 ( 4.849 -3.899 4.060) 7.429 5.109 ( 0.520 2.789 2.050) 3.500 5.344 ( -3.741 5.514 -3.379) 7.472 5.481 ( 4.411 2.578 1.329) 5.279 5.502 ( 4.245 -2.417 4.737) 6.804 5.656 ( -1.469 -3.869 -7.264) 8.360 5.734 ( 5.382 6.507 -1.650) 8.605 5.922 ( 5.599 -1.580 -0.835) 5.877 5.993 ( -6.930 -0.401 1.971) 7.216 6.087 ( -2.619 -1.240 8.392) 8.878 6.139 ( -0.410 0.544 -4.897) 4.944 6.231 ( 3.464 1.486 -0.732) 3.840 6.424 ( -1.829 -8.494 -5.431) 10.246 6.500 ( 4.191 -10.586 6.710) 13.215 6.586 ( -1.856 -1.281 -6.919) 7.277 6.620 ( -2.939 3.472 0.397) 4.566 6.755 ( -8.175 -5.060 1.820) 9.785 6.825 ( -7.047 1.792 -4.756) 8.689 6.990 ( -5.583 2.931 3.445) 7.186 7.109 ( 6.585 -4.154 3.554) 8.559 7.368 ( -3.867 -4.071 3.640) 6.692 7.445 ( -4.313 -8.864 -4.115) 10.682 7.689 ( 1.774 4.950 -4.778) 7.105 7.973 ( -2.220 -1.997 -1.571) 3.374 8.005 ( 4.567 1.116 -2.220) 5.199 8.131 ( 9.679 4.309 6.937) 12.664 8.228 ( -7.996 -2.674 -4.722) 9.663 8.498 ( 4.175 -2.003 5.428) 7.135 8.607 ( -2.777 -1.345 1.017) 3.249 8.845 ( -3.968 -6.692 -0.434) 7.792 8.866 ( 3.836 8.430 -1.484) 9.380 9.055 ( -0.057 2.450 -2.542) 3.531 9.275 ( -0.394 2.436 -6.580) 7.027 9.469 ( 4.775 -3.926 -2.022) 6.504 9.532 ( 0.354 -2.322 -10.136) 10.404 9.741 ( 0.883 1.027 2.802) 3.113 9.772 ( 7.730 0.451 3.206) 8.380 9.960 ( 4.539 4.321 -0.665) 6.302 10.122 ( -1.639 7.558 -5.411) 9.439 10.156 ( 0.915 -5.069 0.953) 5.238 10.276 ( 1.072 0.239 3.094) 3.283 10.420 ( -4.497 -1.036 -0.070) 4.615 10.539 ( 1.720 2.577 -3.515) 4.686 10.751 ( 4.923 1.007 4.281) 6.601 10.872 ( 2.507 -3.157 2.300) 4.641 11.047 ( -1.379 -2.431 0.946) 2.950 11.181 ( -0.172 2.317 4.624) 5.175 11.380 ( -6.575 3.214 2.445) 7.717 11.503 ( -4.174 -6.911 -2.473) 8.444 11.685 ( 4.005 -4.042 1.721) 5.945 11.871 ( -8.627 8.429 0.156) 12.062 12.065 ( -1.269 0.436 0.800) 1.563 12.233 ( 2.727 -2.891 0.648) 4.027 12.349 ( 0.072 -2.722 2.123) 3.453 12.644 ( -3.344 3.320 -3.167) 5.677 12.709 ( 0.023 5.534 -2.677) 6.147 12.824 ( 3.259 -0.177 2.367) 4.031 13.014 ( -3.094 -3.787 -2.808) 5.639 13.081 ( -2.451 4.634 -3.138) 6.110 13.152 ( -5.527 -7.632 0.669) 9.446 13.353 ( 1.657 4.102 -0.046) 4.424 13.513 ( -2.689 1.340 -2.770) 4.086 13.724 ( 6.457 1.368 4.064) 7.751 13.805 ( 8.398 0.477 0.993) 8.470 14.118 ( -3.168 -2.756 1.390) 4.423 14.334 ( 2.469 4.652 8.103) 9.664 14.566 ( -2.318 -1.657 -3.404) 4.439 14.609 ( 0.158 -0.236 -0.059) 0.290 15.060 ( -1.649 2.860 0.277) 3.313 15.137 ( -2.062 -1.457 -2.793) 3.765 15.159 ( -1.673 -0.183 0.642) 1.801 15.344 ( 1.697 -2.856 0.789) 3.414 15.583 ( 3.516 7.025 -1.216) 7.949 15.850 ( 1.126 0.284 -3.574) 3.758 15.903 ( 0.286 0.460 -6.032) 6.056 15.997 ( -0.849 1.879 -4.003) 4.503 16.278 ( 3.398 -3.863 5.568) 7.581 16.329 ( -2.780 -6.205 -1.299) 6.922 16.680 ( 0.840 -1.405 2.627) 3.096 16.733 ( -0.868 1.686 0.076) 1.898 17.218 ( 5.437 3.736 6.478) 9.246 17.351 ( -5.214 5.424 -4.700) 8.871 17.487 ( 4.441 1.135 2.179) 5.075 17.624 ( -5.613 -2.615 -6.986) 9.335 17.742 ( 6.417 1.992 9.850) 11.923 17.797 ( -3.671 1.992 -2.118) 4.683 18.009 ( 3.344 -3.269 2.712) 5.406 18.087 ( 1.839 -5.112 -1.007) 5.525 18.160 ( 0.505 -2.642 0.733) 2.788 18.434 ( -5.018 -8.672 -4.861) 11.136 18.824 ( 5.405 2.633 3.240) 6.829 18.899 ( -5.259 1.293 -6.075) 8.138 19.178 ( -3.978 3.547 -1.559) 5.553 19.209 ( -0.049 3.323 3.580) 4.885 19.329 ( 1.583 -4.091 3.411) 5.557 19.505 ( -0.439 -2.459 2.216) 3.339 19.622 ( -4.430 1.552 -5.976) 7.599 19.747 ( 2.081 -1.488 3.100) 4.019 19.803 ( 3.608 2.171 1.664) 4.527 19.865 ( -1.937 4.752 -3.411) 6.162 19.939 ( -3.600 1.138 -5.373) 6.567 20.207 ( 2.604 4.084 3.349) 5.888 20.419 ( -2.034 -9.243 -2.713) 9.845 20.589 ( 0.764 -4.672 1.424) 4.944 21.201 ( 13.469 13.236 16.882) 25.330 21.318 ( -15.474 11.846 -12.867) 23.352 21.863 ( 3.142 -4.670 3.865) 6.828 21.884 ( -4.656 -6.243 -3.700) 8.623 22.188 ( -0.443 -0.990 0.480) 1.186 22.217 ( 3.161 -0.976 4.437) 5.534 22.250 ( -0.131 -2.123 1.578) 2.648 22.310 ( -0.392 -3.631 1.403) 3.912 22.558 ( -0.156 0.771 -2.020) 2.168 22.590 ( 2.228 3.307 2.221) 4.565 22.800 ( 5.703 -3.182 3.605) 7.459 22.935 ( 1.292 -5.243 -0.560) 5.429 24.544 ( 14.669 10.961 12.152) 21.978 24.697 ( -11.072 10.969 -14.387) 21.211 24.973 ( -1.412 -0.234 0.737) 1.610 24.995 ( -2.589 -0.198 -1.288) 2.898 25.423 ( -5.285 -7.133 -1.199) 8.958 25.533 ( 5.698 -5.971 10.472) 13.334 25.822 ( 7.163 1.438 -2.308) 7.662 26.082 ( -7.479 -11.546 -11.803) 18.126 26.549 ( 1.369 2.515 4.107) 5.007 26.710 ( -7.733 -1.507 -6.432) 10.170 27.013 ( 6.327 3.462 3.347) 7.951 27.265 ( -4.125 -0.808 -5.141) 6.641 27.379 ( 5.580 -4.026 0.163) 6.883 27.531 ( 4.605 -1.493 0.262) 4.848 27.676 ( 0.201 -0.082 1.865) 1.878 27.863 ( -0.999 0.436 -1.776) 2.084 28.140 ( -0.223 2.922 -0.059) 2.931 28.239 ( -3.010 2.430 -3.642) 5.313 28.297 ( -0.950 -2.205 -0.635) 2.483 28.387 ( 0.064 0.884 0.090) 0.891 28.723 ( -1.701 0.085 -0.485) 1.771 28.825 ( 2.135 -1.018 -0.695) 2.465 28.873 ( 1.185 2.444 1.621) 3.164 29.042 ( 0.532 -0.756 0.937) 1.316 29.196 ( -5.237 -0.928 -1.310) 5.477 29.264 ( -13.505 -1.579 -7.529) 15.542 29.428 ( 7.217 6.955 0.251) 10.026 29.837 ( -2.848 1.488 0.839) 3.321 29.889 ( 5.299 -3.882 0.463) 6.585 29.924 ( -2.225 -0.135 -3.215) 3.912 30.099 ( -4.461 -0.572 -6.832) 8.180 30.468 ( 11.155 -17.604 2.617) 21.005 31.211 ( -3.516 2.345 -8.534) 9.523 31.399 ( -0.308 -5.316 -10.123) 11.438 31.718 ( 3.357 1.273 10.011) 10.635 31.838 ( 9.287 0.767 8.764) 12.793 32.003 ( -4.114 5.762 1.120) 7.168 32.148 ( -1.958 1.378 0.648) 2.480 32.278 ( 2.906 -1.792 9.087) 9.707 32.390 ( -3.242 -2.430 0.653) 4.103 32.751 ( 3.149 0.286 8.179) 8.768 32.856 ( 1.954 -2.671 0.811) 3.407 33.030 ( -0.084 -0.563 -2.721) 2.780 33.215 ( 2.289 -1.144 -1.736) 3.092 33.354 ( 2.824 2.357 -10.060) 10.711 33.561 ( -0.496 -4.874 -8.759) 10.036 34.009 ( -5.513 11.756 11.088) 17.075 34.333 ( 5.511 -1.184 12.954) 14.128 38.490 ( -0.800 -0.680 -4.664) 4.781 38.593 ( 0.097 3.192 -5.664) 6.502 38.669 ( 0.380 -5.832 1.069) 5.941 39.107 ( -2.241 -9.490 -10.916) 14.638 39.559 ( -10.272 10.707 5.128) 15.698 39.822 ( -3.726 1.828 0.659) 4.202 40.070 ( 0.644 15.379 0.302) 15.396 40.368 ( 3.176 4.224 6.667) 8.507 41.439 ( -0.191 -3.122 1.248) 3.367 41.642 ( -0.597 -7.446 0.719) 7.505 42.054 ( 1.449 9.329 2.743) 9.831 42.486 ( 0.151 -5.852 -1.061) 5.949 42.645 ( 4.232 2.060 0.577) 4.742 42.819 ( 11.903 -4.120 -6.597) 14.219 42.868 ( -11.340 0.278 15.897) 19.529 43.483 ( -7.560 -13.241 -4.014) 15.767 ======================= Grid point 21 (14/84) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -10.553 15.078 -16.184) 24.508 2.034 ( 10.188 5.183 1.087) 11.483 2.166 ( -6.454 4.866 8.341) 11.615 2.258 ( -0.915 10.603 -0.166) 10.644 2.446 ( -1.837 -1.792 -6.118) 6.634 2.500 ( -14.058 -5.687 -4.345) 15.775 2.737 ( -7.612 1.810 0.361) 7.832 2.916 ( 0.022 5.140 0.285) 5.148 3.071 ( 4.698 -5.068 2.879) 7.486 3.220 ( 1.284 -2.142 7.252) 7.670 3.304 ( 1.374 -4.814 2.257) 5.492 3.364 ( 1.553 -4.534 8.416) 9.685 3.445 ( -1.204 -4.293 -1.136) 4.601 3.510 ( -3.127 -4.947 2.957) 6.558 3.642 ( -3.810 4.977 1.056) 6.356 3.812 ( -6.337 -6.083 -1.708) 8.949 4.022 ( -2.520 -0.850 -2.611) 3.727 4.130 ( -3.247 2.570 -8.090) 9.088 4.208 ( 1.218 -4.060 -2.454) 4.898 4.354 ( 2.886 3.184 0.308) 4.308 4.611 ( 0.164 -0.648 -6.195) 6.231 4.655 ( 2.305 0.616 1.536) 2.838 4.796 ( 3.690 4.457 9.069) 10.758 4.880 ( 2.482 -1.625 3.504) 4.591 5.121 ( -0.322 1.036 1.326) 1.714 5.182 ( 2.061 -2.425 1.125) 3.375 5.337 ( 8.328 5.177 3.452) 10.395 5.536 ( 4.793 2.523 -1.103) 5.528 5.573 ( 1.053 0.024 0.040) 1.054 5.684 ( 3.792 1.503 3.891) 5.637 5.730 ( 2.156 3.510 -3.245) 5.244 5.884 ( -6.011 5.321 2.721) 8.477 5.964 ( -3.901 -5.111 0.001) 6.430 6.105 ( 2.871 -2.214 -4.688) 5.926 6.178 ( -1.250 -1.576 4.282) 4.731 6.229 ( 3.442 -0.601 -4.676) 5.837 6.352 ( -2.654 7.074 -5.977) 9.634 6.442 ( -3.554 -4.499 0.976) 5.816 6.547 ( -7.311 -3.379 -1.529) 8.197 6.603 ( 4.657 -3.285 -1.547) 5.905 6.723 ( -0.862 -14.797 3.831) 15.309 6.760 ( -4.432 6.134 3.703) 8.425 6.937 ( -2.593 2.443 2.080) 4.125 7.162 ( -2.008 -6.898 -0.059) 7.185 7.388 ( -2.629 -2.595 -2.747) 4.603 7.491 ( 7.380 -3.068 9.243) 12.219 7.615 ( 0.766 -1.442 -4.465) 4.754 7.874 ( -3.458 -14.707 -4.137) 15.664 7.948 ( -4.016 1.467 -10.180) 11.042 8.073 ( -2.017 1.654 -0.259) 2.621 8.197 ( -2.828 9.471 -2.926) 10.309 8.593 ( 0.818 1.519 1.951) 2.605 8.653 ( 0.978 1.746 4.687) 5.097 8.860 ( 1.779 -2.590 -0.909) 3.271 8.911 ( 3.400 8.111 6.268) 10.800 9.068 ( 2.722 4.442 0.195) 5.213 9.166 ( -0.586 2.139 -7.690) 8.003 9.340 ( -2.467 -6.473 -12.176) 14.009 9.559 ( 3.908 -12.142 1.797) 12.881 9.760 ( 0.643 6.324 1.192) 6.467 9.902 ( 0.737 -1.196 -0.880) 1.658 10.008 ( -1.040 9.072 1.838) 9.315 10.036 ( 2.875 0.504 -1.321) 3.204 10.170 ( 4.355 -7.322 -2.856) 8.985 10.279 ( -7.029 2.347 -3.563) 8.222 10.430 ( 6.652 6.072 7.582) 11.773 10.528 ( -1.188 6.229 -2.381) 6.774 10.840 ( 1.134 -0.101 1.478) 1.866 10.968 ( 3.755 -0.053 2.915) 4.754 11.054 ( 1.196 -1.454 0.470) 1.940 11.244 ( -0.085 2.079 4.302) 4.779 11.330 ( -4.236 5.243 2.856) 7.320 11.460 ( 0.080 -2.599 2.779) 3.806 11.651 ( -5.085 -2.264 -3.734) 6.702 11.784 ( -1.963 -0.376 -1.399) 2.439 12.121 ( 2.395 -1.261 2.912) 3.976 12.282 ( 1.266 2.372 3.643) 4.527 12.382 ( 1.575 -3.869 0.680) 4.232 12.533 ( -3.987 2.738 -4.593) 6.670 12.638 ( -3.560 2.849 -3.556) 5.782 12.874 ( 1.188 0.637 -0.125) 1.354 12.937 ( -3.253 -6.414 -1.015) 7.263 13.014 ( -2.663 5.040 -1.645) 5.933 13.099 ( -0.692 -3.976 -0.839) 4.122 13.355 ( -1.295 1.177 0.167) 1.758 13.451 ( -0.553 3.293 -2.374) 4.097 13.854 ( 6.412 0.675 2.188) 6.809 13.958 ( 6.525 1.763 2.043) 7.061 14.080 ( -4.921 -3.820 1.691) 6.455 14.435 ( 0.229 -3.790 1.987) 4.286 14.523 ( 1.852 1.496 1.109) 2.627 14.688 ( 4.503 0.235 6.204) 7.670 15.028 ( -2.565 -0.426 -1.455) 2.980 15.056 ( -1.839 -1.102 -3.625) 4.212 15.162 ( 0.329 2.330 1.616) 2.855 15.392 ( 1.843 -4.090 -0.492) 4.513 15.529 ( -3.103 2.678 -3.400) 5.325 15.745 ( -4.932 1.433 -6.155) 8.016 15.874 ( 2.526 8.298 -3.978) 9.543 15.917 ( -2.664 3.068 -2.851) 4.963 16.342 ( 3.098 -6.032 1.971) 7.061 16.391 ( 1.208 -7.449 2.529) 7.959 16.664 ( 0.720 -2.539 1.494) 3.032 16.798 ( 0.327 -2.924 1.554) 3.327 17.244 ( 0.079 9.291 -1.234) 9.373 17.377 ( 3.738 7.698 3.772) 9.352 17.520 ( -1.072 -2.308 0.958) 2.719 17.631 ( 3.409 2.622 3.899) 5.805 17.741 ( 0.439 -1.242 -0.016) 1.317 17.933 ( 3.098 -0.632 5.647) 6.472 18.140 ( 5.820 -6.367 1.739) 8.800 18.187 ( 8.590 -9.198 9.304) 15.651 18.198 ( 3.977 -0.375 3.394) 5.242 18.337 ( -2.297 -5.199 -1.532) 5.887 18.770 ( -2.853 3.343 -4.734) 6.459 18.930 ( -0.458 -1.725 -1.895) 2.603 19.021 ( -5.946 4.429 -4.958) 8.919 19.262 ( -6.195 4.788 -8.101) 11.266 19.284 ( -0.447 3.025 1.844) 3.571 19.355 ( -5.491 -4.009 -2.349) 7.193 19.485 ( -10.027 -1.116 -7.849) 12.782 19.590 ( -8.011 -4.196 -4.973) 10.320 19.786 ( -1.509 1.604 -1.486) 2.657 19.849 ( 0.948 1.406 -2.640) 3.138 19.991 ( 4.483 -1.374 4.076) 6.213 20.206 ( -1.383 -1.643 -2.467) 3.270 20.427 ( 4.466 5.717 5.668) 9.206 20.665 ( 1.733 -4.312 0.916) 4.737 20.985 ( -9.587 7.073 -8.037) 14.371 21.439 ( -13.302 -5.975 -11.024) 18.280 21.560 ( 8.792 10.170 10.297) 16.934 22.103 ( 0.262 -2.423 -0.685) 2.532 22.153 ( -0.416 -5.262 0.095) 5.279 22.245 ( 1.924 -2.433 2.072) 3.730 22.302 ( 1.692 3.626 2.486) 4.710 22.484 ( 3.456 2.542 1.782) 4.646 22.612 ( 2.044 -0.127 1.624) 2.613 22.683 ( 7.963 -4.016 9.948) 13.360 23.009 ( 9.669 0.827 9.625) 13.668 23.268 ( 23.499 -5.999 24.041) 34.149 24.247 ( -16.942 14.734 -20.922) 30.690 24.775 ( -0.817 0.909 -3.258) 3.480 24.920 ( -3.674 -1.384 -1.927) 4.374 24.979 ( -0.526 -0.639 1.323) 1.560 25.209 ( -9.696 3.317 -4.098) 11.036 25.715 ( 2.505 -5.740 6.900) 9.318 25.818 ( 1.264 -1.583 -7.370) 7.643 25.903 ( -0.446 -3.372 -4.781) 5.868 26.511 ( -4.866 -2.692 -0.617) 5.595 26.594 ( -2.420 -9.181 -4.694) 10.592 27.141 ( 5.172 8.723 1.518) 10.254 27.178 ( -1.073 5.644 0.734) 5.792 27.527 ( 8.902 -2.332 1.945) 9.406 27.568 ( 1.156 1.051 0.293) 1.589 27.735 ( 0.293 0.237 2.417) 2.446 27.881 ( 4.265 -3.768 3.811) 6.849 28.135 ( -0.692 2.910 0.021) 2.992 28.176 ( -0.383 0.154 -0.992) 1.074 28.304 ( 0.697 -4.605 1.265) 4.826 28.382 ( -0.414 -0.799 -1.072) 1.400 28.570 ( -11.788 -2.518 -10.326) 15.872 28.631 ( -9.834 -1.202 -14.055) 17.195 28.840 ( -1.610 2.882 -0.311) 3.316 28.960 ( -4.648 -1.042 -3.187) 5.731 29.117 ( -0.114 4.094 0.121) 4.097 29.186 ( 4.849 1.043 4.170) 6.480 29.633 ( 2.679 5.840 2.143) 6.773 29.814 ( -1.091 -2.433 -2.449) 3.621 29.929 ( -0.814 -1.183 1.681) 2.211 29.977 ( 8.870 2.682 3.387) 9.866 30.067 ( 3.339 0.687 7.831) 8.541 30.602 ( 2.399 -14.770 0.053) 14.964 31.032 ( -6.135 4.026 -12.927) 14.865 31.237 ( -2.322 -3.610 -5.131) 6.689 31.893 ( -2.578 2.641 0.707) 3.758 31.940 ( 9.535 3.133 6.633) 12.030 32.048 ( 1.613 -1.625 4.263) 4.839 32.123 ( 0.223 1.635 1.194) 2.037 32.335 ( -4.338 -2.680 -0.068) 5.099 32.388 ( -1.986 -3.503 1.666) 4.358 32.862 ( -1.363 1.881 3.442) 4.153 32.904 ( 2.430 -0.378 6.410) 6.866 32.999 ( 2.853 -1.658 -5.153) 6.119 33.221 ( 0.296 0.524 0.520) 0.795 33.296 ( 3.279 0.433 -7.953) 8.614 33.484 ( -0.167 -10.320 -2.717) 10.673 34.072 ( -1.975 15.088 7.114) 16.798 34.573 ( 5.971 -6.223 9.557) 12.873 38.423 ( -0.713 1.755 -3.662) 4.123 38.544 ( -0.172 -1.498 -2.018) 2.519 38.689 ( 0.563 -3.817 0.947) 3.973 38.954 ( -2.151 -10.863 -7.129) 13.170 39.531 ( -3.264 6.986 4.056) 8.713 39.788 ( -1.972 2.101 0.585) 2.940 40.093 ( 0.868 17.930 0.920) 17.974 40.484 ( 2.123 4.774 5.015) 7.242 41.444 ( -0.764 -3.642 0.718) 3.790 41.629 ( -0.664 -7.309 -0.584) 7.363 42.102 ( 0.393 9.567 2.372) 9.864 42.452 ( -0.773 -3.000 -2.373) 3.902 42.711 ( 3.472 2.110 0.554) 4.101 42.839 ( 4.936 1.756 -5.614) 7.679 42.923 ( -6.170 -7.500 9.868) 13.846 43.323 ( -6.442 -11.737 -3.791) 13.915 ======================= Grid point 22 (15/84) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 0.000 15.292 0.000) 15.292 2.207 ( -0.000 -13.024 0.000) 13.024 2.211 ( 0.000 -1.162 0.000) 1.162 2.233 ( 0.000 -6.902 -0.000) 6.902 2.245 ( -0.000 12.238 0.000) 12.238 2.391 ( 0.000 -2.312 0.000) 2.312 2.646 ( 0.000 4.741 0.000) 4.741 2.907 ( 0.000 7.341 0.000) 7.341 3.179 ( -0.000 -7.968 -0.000) 7.968 3.280 ( 0.000 7.588 0.000) 7.588 3.334 ( -0.000 -4.440 0.000) 4.440 3.421 ( -0.000 -5.066 0.000) 5.066 3.456 ( 0.000 -6.379 0.000) 6.379 3.523 ( 0.000 -1.999 0.000) 1.999 3.605 ( 0.000 2.887 -0.000) 2.887 3.765 ( 0.000 -4.613 0.000) 4.613 3.988 ( 0.000 -6.208 -0.000) 6.208 4.017 ( 0.000 6.779 0.000) 6.779 4.185 ( 0.000 -5.183 0.000) 5.183 4.393 ( 0.000 3.220 0.000) 3.220 4.579 ( 0.000 0.880 0.000) 0.880 4.687 ( 0.000 2.462 -0.000) 2.462 4.871 ( 0.000 8.384 0.000) 8.384 4.970 ( 0.000 -8.603 -0.000) 8.603 5.114 ( 0.000 5.366 0.000) 5.366 5.147 ( 0.000 -4.994 0.000) 4.994 5.521 ( -0.000 0.560 -0.000) 0.560 5.549 ( 0.000 9.087 0.000) 9.087 5.585 ( 0.000 3.247 0.000) 3.247 5.739 ( 0.000 2.327 -0.000) 2.327 5.770 ( 0.000 -0.570 0.000) 0.570 5.883 ( 0.000 6.999 -0.000) 6.999 5.917 ( 0.000 -5.011 0.000) 5.011 6.009 ( 0.000 -4.477 0.000) 4.477 6.162 ( 0.000 1.338 0.000) 1.338 6.214 ( 0.000 5.479 0.000) 5.479 6.342 ( -0.000 -2.824 0.000) 2.824 6.403 ( 0.000 -4.237 0.000) 4.237 6.523 ( -0.000 -1.453 -0.000) 1.453 6.643 ( -0.000 -2.585 0.000) 2.585 6.657 ( 0.000 -1.299 0.000) 1.299 6.758 ( 0.000 5.560 0.000) 5.560 7.029 ( -0.000 -0.072 -0.000) 0.072 7.083 ( 0.000 -12.482 0.000) 12.482 7.312 ( 0.000 -6.664 0.000) 6.664 7.640 ( -0.000 -13.015 -0.000) 13.015 7.641 ( 0.000 -4.540 0.000) 4.540 7.810 ( 0.000 -9.998 0.000) 9.998 7.861 ( 0.000 2.710 -0.000) 2.710 8.001 ( 0.000 -4.020 0.000) 4.020 8.145 ( 0.000 14.039 0.000) 14.039 8.603 ( 0.000 7.729 0.000) 7.729 8.717 ( 0.000 1.184 -0.000) 1.184 8.835 ( 0.000 2.924 0.000) 2.924 9.036 ( 0.000 8.349 -0.000) 8.349 9.076 ( 0.000 5.736 0.000) 5.736 9.136 ( 0.000 0.789 -0.000) 0.789 9.198 ( 0.000 -12.344 0.000) 12.344 9.614 ( 0.000 -14.480 0.000) 14.480 9.782 ( 0.000 6.986 0.000) 6.986 9.849 ( 0.000 6.007 0.000) 6.007 10.032 ( 0.000 -1.338 0.000) 1.338 10.052 ( -0.000 -1.944 0.000) 1.944 10.188 ( 0.000 -4.168 0.000) 4.168 10.218 ( 0.000 1.376 0.000) 1.376 10.467 ( 0.000 11.648 0.000) 11.648 10.567 ( -0.000 8.196 0.000) 8.196 10.848 ( 0.000 -3.372 0.000) 3.372 11.023 ( 0.000 3.617 0.000) 3.617 11.050 ( 0.000 1.627 0.000) 1.627 11.257 ( 0.000 3.735 0.000) 3.735 11.357 ( 0.000 4.557 0.000) 4.557 11.483 ( 0.000 3.680 0.000) 3.680 11.581 ( 0.000 -7.072 0.000) 7.072 11.754 ( 0.000 -2.215 0.000) 2.215 12.153 ( 0.000 -5.169 0.000) 5.169 12.357 ( 0.000 4.824 0.000) 4.824 12.381 ( 0.000 -1.030 -0.000) 1.030 12.461 ( 0.000 0.012 0.000) 0.012 12.573 ( 0.000 1.828 0.000) 1.828 12.888 ( -0.000 -3.996 0.000) 3.996 12.888 ( 0.000 -4.311 -0.000) 4.311 12.987 ( 0.000 5.236 0.000) 5.236 13.093 ( 0.000 -1.845 0.000) 1.845 13.342 ( 0.000 -0.391 0.000) 0.391 13.434 ( 0.000 4.349 0.000) 4.349 13.959 ( 0.000 -1.713 0.000) 1.713 13.969 ( -0.000 4.599 -0.000) 4.599 14.060 ( 0.000 -3.266 0.000) 3.266 14.433 ( 0.000 -8.989 -0.000) 8.989 14.571 ( 0.000 4.199 0.000) 4.199 14.819 ( 0.000 -1.539 0.000) 1.539 14.955 ( 0.000 3.260 0.000) 3.260 15.014 ( 0.000 -5.061 0.000) 5.061 15.210 ( 0.000 4.191 0.000) 4.191 15.330 ( 0.000 2.529 -0.000) 2.529 15.540 ( 0.000 -4.081 -0.000) 4.081 15.631 ( 0.000 -0.039 0.000) 0.039 15.852 ( -0.000 6.661 0.000) 6.661 15.887 ( 0.000 8.823 -0.000) 8.823 16.391 ( -0.000 -5.923 0.000) 5.923 16.402 ( 0.000 -8.175 -0.000) 8.175 16.730 ( -0.000 -5.952 -0.000) 5.952 16.757 ( 0.000 -2.992 0.000) 2.992 17.260 ( 0.000 8.785 0.000) 8.785 17.456 ( -0.000 6.501 -0.000) 6.501 17.463 ( 0.000 -1.146 0.000) 1.146 17.688 ( 0.000 6.497 0.000) 6.497 17.783 ( 0.000 -0.956 0.000) 0.956 18.035 ( 0.000 -11.267 -0.000) 11.267 18.190 ( 0.000 4.626 0.000) 4.626 18.270 ( -0.000 -5.419 -0.000) 5.419 18.296 ( 0.000 -6.849 0.000) 6.849 18.461 ( 0.000 0.466 0.000) 0.466 18.606 ( 0.000 -1.555 0.000) 1.555 18.872 ( -0.000 -8.289 -0.000) 8.289 18.943 ( 0.000 2.911 0.000) 2.911 19.120 ( 0.000 2.893 0.000) 2.893 19.174 ( 0.000 2.790 0.000) 2.790 19.331 ( 0.000 -0.209 -0.000) 0.209 19.369 ( 0.000 4.623 0.000) 4.623 19.535 ( 0.000 -3.927 0.000) 3.927 19.764 ( 0.000 -0.172 0.000) 0.172 19.836 ( 0.000 2.021 0.000) 2.021 20.056 ( 0.000 -2.945 0.000) 2.945 20.177 ( 0.000 -1.217 0.000) 1.217 20.567 ( -0.000 1.620 -0.000) 1.620 20.620 ( 0.000 6.457 0.000) 6.457 20.873 ( 0.000 0.844 0.000) 0.844 21.269 ( 0.000 -6.064 0.000) 6.064 21.685 ( 0.000 7.883 0.000) 7.883 22.089 ( 0.000 0.440 0.000) 0.440 22.145 ( 0.000 -7.458 0.000) 7.458 22.278 ( 0.000 -4.605 0.000) 4.605 22.329 ( 0.000 6.842 0.000) 6.842 22.506 ( 0.000 4.069 0.000) 4.069 22.624 ( 0.000 -0.235 0.000) 0.235 22.824 ( 0.000 -7.923 0.000) 7.923 23.300 ( 0.000 3.815 0.000) 3.815 23.711 ( 0.000 -1.697 -0.000) 1.697 23.949 ( 0.000 9.283 -0.000) 9.283 24.466 ( 0.000 -6.020 0.000) 6.020 24.898 ( 0.000 0.179 0.000) 0.179 24.986 ( 0.000 -1.702 0.000) 1.702 25.177 ( 0.000 11.804 0.000) 11.804 25.774 ( -0.000 -4.493 0.000) 4.493 25.780 ( 0.000 1.493 -0.000) 1.493 25.873 ( 0.000 -2.803 0.000) 2.803 26.470 ( 0.000 -9.109 0.000) 9.109 26.531 ( 0.000 -9.625 -0.000) 9.625 27.145 ( 0.000 9.403 0.000) 9.403 27.241 ( 0.000 10.936 0.000) 10.936 27.568 ( 0.000 2.043 -0.000) 2.043 27.623 ( 0.000 -3.834 0.000) 3.834 27.734 ( -0.000 3.051 0.000) 3.051 28.005 ( 0.000 -5.383 0.000) 5.383 28.151 ( 0.000 1.621 0.000) 1.621 28.205 ( 0.000 2.241 0.000) 2.241 28.274 ( 0.000 -8.578 0.000) 8.578 28.339 ( 0.000 -1.400 0.000) 1.400 28.350 ( 0.000 -5.830 0.000) 5.830 28.455 ( 0.000 0.951 0.000) 0.951 28.831 ( 0.000 3.719 0.000) 3.719 28.911 ( 0.000 -0.214 0.000) 0.214 29.120 ( 0.000 4.928 0.000) 4.928 29.278 ( 0.000 0.287 0.000) 0.287 29.641 ( 0.000 3.653 0.000) 3.653 29.814 ( 0.000 -4.327 0.000) 4.327 29.859 ( 0.000 1.292 0.000) 1.292 30.044 ( 0.000 -0.556 0.000) 0.556 30.332 ( 0.000 1.782 0.000) 1.782 30.582 ( 0.000 -6.238 0.000) 6.238 30.806 ( -0.000 8.214 -0.000) 8.214 31.212 ( 0.000 -5.187 0.000) 5.187 31.876 ( 0.000 2.574 0.000) 2.574 32.027 ( 0.000 -11.308 0.000) 11.308 32.159 ( 0.000 6.047 0.000) 6.047 32.188 ( 0.000 -0.454 0.000) 0.454 32.255 ( 0.000 0.405 0.000) 0.405 32.317 ( 0.000 -1.171 0.000) 1.171 32.894 ( 0.000 1.873 -0.000) 1.873 32.950 ( 0.000 -2.089 0.000) 2.089 32.997 ( 0.000 -1.061 -0.000) 1.061 33.245 ( 0.000 1.405 0.000) 1.405 33.249 ( 0.000 0.041 0.000) 0.041 33.470 ( 0.000 -12.348 0.000) 12.348 34.106 ( 0.000 16.275 0.000) 16.275 34.686 ( 0.000 -8.686 0.000) 8.686 38.393 ( 0.000 2.055 0.000) 2.055 38.532 ( 0.000 -2.804 0.000) 2.804 38.702 ( 0.000 -1.686 0.000) 1.686 38.890 ( 0.000 -13.186 0.000) 13.186 39.535 ( 0.000 5.674 -0.000) 5.674 39.777 ( 0.000 2.417 0.000) 2.417 40.107 ( 0.000 19.020 0.000) 19.020 40.534 ( 0.000 5.043 0.000) 5.043 41.441 ( 0.000 -3.748 0.000) 3.748 41.619 ( 0.000 -7.413 0.000) 7.413 42.120 ( 0.000 9.471 0.000) 9.471 42.428 ( 0.000 -2.344 0.000) 2.344 42.744 ( 0.000 1.802 0.000) 1.802 42.841 ( 0.000 0.943 -0.000) 0.943 42.935 ( -0.000 -6.718 0.000) 6.718 43.244 ( 0.000 -10.714 0.000) 10.714 ======================= Grid point 27 (16/84) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 0.000 18.473 0.000) 18.473 2.097 ( 0.000 -8.587 0.000) 8.587 2.160 ( 0.000 28.447 0.000) 28.447 2.516 ( 0.000 3.586 0.000) 3.586 2.582 ( 0.000 -2.868 0.000) 2.868 2.591 ( 0.000 -14.288 0.000) 14.288 2.745 ( 0.000 12.536 0.000) 12.536 2.958 ( 0.000 -6.987 0.000) 6.987 3.143 ( 0.000 1.594 0.000) 1.594 3.201 ( 0.000 -6.232 0.000) 6.232 3.390 ( 0.000 5.696 0.000) 5.696 3.516 ( 0.000 -7.755 0.000) 7.755 3.593 ( 0.000 9.991 0.000) 9.991 3.758 ( 0.000 -6.844 0.000) 6.844 3.859 ( 0.000 5.475 0.000) 5.475 3.876 ( 0.000 -0.053 0.000) 0.053 3.892 ( 0.000 12.181 0.000) 12.181 4.115 ( 0.000 -9.988 0.000) 9.988 4.377 ( 0.000 3.646 0.000) 3.646 4.414 ( 0.000 1.421 0.000) 1.421 4.436 ( 0.000 -1.073 0.000) 1.073 4.525 ( 0.000 -7.890 0.000) 7.890 4.870 ( 0.000 4.743 0.000) 4.743 4.871 ( 0.000 4.599 0.000) 4.599 5.105 ( 0.000 -5.032 0.000) 5.032 5.123 ( 0.000 -6.566 0.000) 6.566 5.379 ( 0.000 8.600 0.000) 8.600 5.534 ( 0.000 -0.082 0.000) 0.082 5.595 ( 0.000 12.147 0.000) 12.147 5.624 ( 0.000 0.331 0.000) 0.331 5.637 ( 0.000 -5.687 0.000) 5.687 5.834 ( 0.000 -11.387 0.000) 11.387 6.083 ( 0.000 1.813 0.000) 1.813 6.164 ( 0.000 -7.678 0.000) 7.678 6.186 ( 0.000 2.839 0.000) 2.839 6.224 ( 0.000 -0.413 0.000) 0.413 6.346 ( 0.000 14.079 0.000) 14.079 6.632 ( 0.000 -13.324 0.000) 13.324 6.719 ( 0.000 19.874 0.000) 19.874 6.764 ( 0.000 5.632 0.000) 5.632 6.868 ( 0.000 -4.878 0.000) 4.878 6.902 ( 0.000 -2.868 0.000) 2.868 6.986 ( 0.000 -6.424 0.000) 6.424 7.067 ( 0.000 -10.000 0.000) 10.000 7.300 ( 0.000 7.928 0.000) 7.928 7.458 ( 0.000 -8.237 0.000) 8.237 7.614 ( 0.000 2.343 0.000) 2.343 7.639 ( 0.000 12.461 0.000) 12.461 7.743 ( 0.000 -11.133 0.000) 11.133 7.932 ( 0.000 -18.270 0.000) 18.270 8.213 ( 0.000 4.431 0.000) 4.431 8.295 ( 0.000 -2.585 0.000) 2.585 8.716 ( 0.000 -4.560 0.000) 4.560 8.731 ( 0.000 -4.796 0.000) 4.796 9.145 ( 0.000 4.323 0.000) 4.323 9.167 ( 0.000 5.346 0.000) 5.346 9.288 ( 0.000 1.836 0.000) 1.836 9.322 ( 0.000 -0.485 0.000) 0.485 9.530 ( 0.000 4.201 0.000) 4.201 9.667 ( 0.000 8.142 0.000) 8.142 9.720 ( 0.000 -11.139 0.000) 11.139 9.860 ( 0.000 -10.201 0.000) 10.201 10.051 ( 0.000 15.679 0.000) 15.679 10.351 ( 0.000 -14.364 0.000) 14.364 10.428 ( 0.000 9.899 0.000) 9.899 10.461 ( 0.000 5.537 0.000) 5.537 10.544 ( 0.000 -2.063 0.000) 2.063 10.610 ( 0.000 -7.536 0.000) 7.536 10.854 ( 0.000 0.415 0.000) 0.415 10.872 ( 0.000 -0.886 0.000) 0.886 11.236 ( 0.000 7.314 0.000) 7.314 11.381 ( 0.000 -8.640 0.000) 8.640 11.503 ( 0.000 2.581 0.000) 2.581 11.572 ( 0.000 -4.752 0.000) 4.752 12.029 ( 0.000 1.928 0.000) 1.928 12.069 ( 0.000 -2.985 0.000) 2.985 12.318 ( 0.000 3.296 0.000) 3.296 12.363 ( 0.000 -0.159 0.000) 0.159 12.680 ( 0.000 3.678 0.000) 3.678 12.768 ( 0.000 -2.115 0.000) 2.115 12.845 ( 0.000 7.119 0.000) 7.119 12.964 ( 0.000 0.818 0.000) 0.818 13.042 ( 0.000 -8.138 0.000) 8.138 13.133 ( 0.000 -8.543 0.000) 8.543 13.387 ( 0.000 4.768 0.000) 4.768 13.441 ( 0.000 -0.424 0.000) 0.424 13.766 ( 0.000 5.903 0.000) 5.903 13.823 ( 0.000 -0.219 0.000) 0.219 14.206 ( 0.000 0.634 0.000) 0.634 14.213 ( 0.000 1.175 0.000) 1.175 14.678 ( 0.000 7.660 0.000) 7.660 14.777 ( 0.000 -2.860 0.000) 2.860 15.009 ( 0.000 1.166 0.000) 1.166 15.078 ( 0.000 -5.213 0.000) 5.213 15.300 ( 0.000 9.787 0.000) 9.787 15.450 ( 0.000 -3.566 0.000) 3.566 15.585 ( 0.000 6.449 0.000) 6.449 15.706 ( 0.000 -4.438 0.000) 4.438 16.012 ( 0.000 5.820 0.000) 5.820 16.075 ( 0.000 7.458 0.000) 7.458 16.226 ( 0.000 -8.615 0.000) 8.615 16.284 ( 0.000 -10.816 0.000) 10.816 16.569 ( 0.000 -2.078 0.000) 2.078 16.570 ( 0.000 -2.580 0.000) 2.580 17.253 ( 0.000 9.663 0.000) 9.663 17.422 ( 0.000 -3.246 0.000) 3.246 17.459 ( 0.000 1.242 0.000) 1.242 17.473 ( 0.000 -3.930 0.000) 3.930 18.030 ( 0.000 1.430 0.000) 1.430 18.038 ( 0.000 2.718 0.000) 2.718 18.196 ( 0.000 6.615 0.000) 6.615 18.280 ( 0.000 7.191 0.000) 7.191 18.383 ( 0.000 -2.440 0.000) 2.440 18.395 ( 0.000 -11.580 0.000) 11.580 18.696 ( 0.000 -1.754 0.000) 1.754 18.698 ( 0.000 0.322 0.000) 0.322 18.949 ( 0.000 -0.967 0.000) 0.967 19.022 ( 0.000 -6.815 0.000) 6.815 19.276 ( 0.000 -0.418 0.000) 0.418 19.281 ( 0.000 -1.337 0.000) 1.337 19.482 ( 0.000 7.755 0.000) 7.755 19.603 ( 0.000 -4.426 0.000) 4.426 19.807 ( 0.000 0.506 0.000) 0.506 19.811 ( 0.000 -0.404 0.000) 0.404 20.134 ( 0.000 4.872 0.000) 4.872 20.189 ( 0.000 -0.369 0.000) 0.369 20.615 ( 0.000 2.320 0.000) 2.320 20.703 ( 0.000 -6.316 0.000) 6.316 20.893 ( 0.000 14.811 0.000) 14.811 21.135 ( 0.000 -10.243 0.000) 10.243 21.859 ( 0.000 5.146 0.000) 5.146 21.947 ( 0.000 -4.801 0.000) 4.801 22.068 ( 0.000 2.826 0.000) 2.826 22.157 ( 0.000 -6.232 0.000) 6.232 22.324 ( 0.000 6.170 0.000) 6.170 22.439 ( 0.000 -5.759 0.000) 5.759 22.545 ( 0.000 3.447 0.000) 3.447 22.594 ( 0.000 -1.852 0.000) 1.852 23.279 ( 0.000 3.526 0.000) 3.526 23.372 ( 0.000 -6.993 0.000) 6.993 24.039 ( 0.000 17.712 0.000) 17.712 24.386 ( 0.000 -18.275 0.000) 18.275 24.989 ( 0.000 1.890 0.000) 1.890 25.026 ( 0.000 -2.067 0.000) 2.067 25.436 ( 0.000 13.184 0.000) 13.184 25.601 ( 0.000 -3.604 0.000) 3.604 25.740 ( 0.000 7.891 0.000) 7.891 25.968 ( 0.000 -16.560 0.000) 16.560 26.503 ( 0.000 6.353 0.000) 6.353 26.636 ( 0.000 -6.407 0.000) 6.407 27.261 ( 0.000 1.564 0.000) 1.564 27.305 ( 0.000 -2.285 0.000) 2.285 27.357 ( 0.000 -2.190 0.000) 2.190 27.364 ( 0.000 -2.976 0.000) 2.976 27.910 ( 0.000 5.681 0.000) 5.681 28.016 ( 0.000 -4.794 0.000) 4.794 28.130 ( 0.000 1.139 0.000) 1.139 28.153 ( 0.000 -1.337 0.000) 1.337 28.280 ( 0.000 0.356 0.000) 0.356 28.317 ( 0.000 -2.964 0.000) 2.964 28.573 ( 0.000 9.904 0.000) 9.904 28.726 ( 0.000 -5.311 0.000) 5.311 28.884 ( 0.000 2.856 0.000) 2.856 28.946 ( 0.000 -3.668 0.000) 3.668 29.115 ( 0.000 6.251 0.000) 6.251 29.207 ( 0.000 -2.792 0.000) 2.792 29.647 ( 0.000 3.283 0.000) 3.283 29.722 ( 0.000 -4.458 0.000) 4.458 30.082 ( 0.000 2.769 0.000) 2.769 30.084 ( 0.000 1.654 0.000) 1.654 30.788 ( 0.000 3.488 0.000) 3.488 30.821 ( 0.000 -0.083 0.000) 0.083 30.998 ( 0.000 -2.425 0.000) 2.425 31.025 ( 0.000 -5.175 0.000) 5.175 31.348 ( 0.000 -2.441 0.000) 2.441 31.354 ( 0.000 -3.233 0.000) 3.233 32.126 ( 0.000 5.746 0.000) 5.746 32.224 ( 0.000 -4.152 0.000) 4.152 32.264 ( 0.000 2.762 0.000) 2.762 32.304 ( 0.000 -1.124 0.000) 1.124 32.682 ( 0.000 0.870 0.000) 0.870 32.700 ( 0.000 -0.910 0.000) 0.910 33.035 ( 0.000 1.922 0.000) 1.922 33.103 ( 0.000 -4.263 0.000) 4.263 33.711 ( 0.000 3.553 0.000) 3.553 33.735 ( 0.000 0.555 0.000) 0.555 33.982 ( 0.000 5.694 0.000) 5.694 34.083 ( 0.000 -4.804 0.000) 4.804 38.521 ( 0.000 -1.404 0.000) 1.404 38.538 ( 0.000 -3.320 0.000) 3.320 38.895 ( 0.000 10.872 0.000) 10.872 39.099 ( 0.000 -10.561 0.000) 10.561 39.945 ( 0.000 2.994 0.000) 2.994 39.981 ( 0.000 -0.350 0.000) 0.350 40.256 ( 0.000 2.423 0.000) 2.423 40.275 ( 0.000 -0.073 0.000) 0.073 41.387 ( 0.000 -0.660 0.000) 0.660 41.401 ( 0.000 -2.018 0.000) 2.018 42.115 ( 0.000 6.093 0.000) 6.093 42.204 ( 0.000 -3.100 0.000) 3.100 42.574 ( 0.000 1.291 0.000) 1.291 42.601 ( 0.000 -1.656 0.000) 1.656 43.106 ( 0.000 13.350 0.000) 13.350 43.380 ( 0.000 -15.386 0.000) 15.386 ======================= Grid point 28 (17/84) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 4.277 16.175 6.258) 17.863 2.069 ( 2.750 11.593 -1.558) 12.016 2.224 ( -0.516 3.737 7.591) 8.477 2.485 ( -8.193 -12.823 0.626) 15.230 2.571 ( 2.686 5.828 4.137) 7.635 2.662 ( 3.825 -0.052 6.596) 7.624 2.761 ( 2.821 10.272 -0.814) 10.683 2.985 ( 1.319 -8.301 -0.275) 8.410 3.051 ( -6.599 4.342 -4.400) 9.042 3.174 ( -3.261 -8.055 -2.110) 8.943 3.387 ( -5.712 2.012 3.940) 7.224 3.423 ( -10.956 -0.359 1.009) 11.008 3.588 ( -0.736 2.880 -4.677) 5.542 3.673 ( -6.473 -2.619 -6.303) 9.407 3.785 ( -5.032 1.467 0.126) 5.243 3.834 ( -3.554 -4.359 3.525) 6.637 4.034 ( 7.376 10.865 4.500) 13.882 4.173 ( 0.017 -5.804 1.008) 5.891 4.389 ( 2.516 2.398 -1.607) 3.829 4.415 ( 1.774 1.183 -2.966) 3.653 4.466 ( 3.329 0.643 2.769) 4.378 4.594 ( 1.626 -9.704 4.902) 10.993 4.751 ( -6.902 13.999 0.906) 15.635 4.918 ( -0.317 1.542 -1.034) 1.883 4.972 ( -6.404 -3.411 -5.843) 9.316 5.086 ( -1.465 -9.777 -0.218) 9.889 5.410 ( 3.607 8.636 0.656) 9.382 5.547 ( 0.879 2.471 -1.419) 2.982 5.586 ( -6.038 4.194 -2.850) 7.885 5.660 ( 2.899 1.398 4.060) 5.180 5.713 ( 0.440 -5.156 1.396) 5.360 5.848 ( -1.430 -11.005 4.184) 11.860 5.912 ( -5.533 9.708 -3.962) 11.856 6.097 ( -2.360 -8.945 3.117) 9.762 6.209 ( 2.238 1.317 -3.427) 4.300 6.225 ( -1.745 1.224 -0.729) 2.252 6.379 ( 6.485 5.227 -5.378) 9.915 6.485 ( -3.480 -0.060 -12.323) 12.805 6.649 ( -1.728 4.310 -4.437) 6.422 6.721 ( -5.005 4.713 -0.472) 6.891 6.848 ( -6.523 -6.179 -0.469) 8.997 6.881 ( -4.167 -7.531 -0.829) 8.646 6.958 ( 2.486 3.640 0.406) 4.426 7.068 ( 0.471 -4.878 1.522) 5.132 7.286 ( -2.688 1.136 1.635) 3.344 7.394 ( -5.602 -8.945 -4.769) 11.582 7.689 ( 8.515 3.390 0.203) 9.167 7.799 ( 7.966 -6.871 0.641) 10.539 7.856 ( 10.103 6.875 14.168) 18.710 8.042 ( 0.673 -10.439 8.805) 13.673 8.218 ( 2.950 6.383 -0.393) 7.042 8.341 ( 3.897 -4.018 1.235) 5.732 8.690 ( -1.970 0.344 -2.691) 3.353 8.756 ( -0.089 -6.926 -0.327) 6.934 9.035 ( -3.886 7.819 -2.077) 8.975 9.161 ( -5.656 -3.394 -2.905) 7.208 9.299 ( 8.525 7.777 -0.696) 11.561 9.421 ( 7.331 -0.890 1.336) 7.504 9.559 ( 3.270 1.035 -2.055) 3.998 9.682 ( 1.151 -4.208 -4.890) 6.553 9.710 ( 3.392 3.002 -3.355) 5.637 9.880 ( 3.351 -10.027 -0.173) 10.573 10.074 ( 1.309 11.207 6.443) 12.993 10.262 ( -4.611 0.971 -4.536) 6.541 10.359 ( -4.014 -5.600 1.289) 7.010 10.434 ( -0.034 -3.013 -10.437) 10.863 10.544 ( 0.863 5.606 1.717) 5.926 10.672 ( 0.794 -2.706 4.776) 5.547 10.843 ( 1.930 4.028 -1.255) 4.640 10.939 ( 2.825 -5.453 1.582) 6.342 11.242 ( -0.340 5.808 0.684) 5.858 11.366 ( -0.415 -7.831 0.133) 7.843 11.487 ( -2.867 2.891 0.870) 4.163 11.560 ( -1.654 -4.696 0.843) 5.050 12.047 ( 0.454 2.146 1.400) 2.602 12.091 ( 2.282 -3.555 -1.724) 4.562 12.246 ( -7.767 6.552 1.166) 10.228 12.332 ( -5.924 -1.555 4.072) 7.355 12.719 ( 2.068 3.161 3.140) 4.913 12.790 ( 2.081 0.076 0.354) 2.113 12.836 ( -3.249 4.849 1.090) 5.937 12.947 ( -2.495 -3.973 -0.380) 4.707 13.055 ( 0.037 -4.672 1.060) 4.791 13.119 ( -0.466 -6.157 -1.571) 6.372 13.415 ( 3.817 5.504 -0.646) 6.729 13.490 ( 6.155 -2.027 -0.754) 6.524 13.742 ( -0.807 4.781 -1.413) 5.051 13.785 ( -0.662 0.104 -3.198) 3.267 14.195 ( -1.084 4.132 0.006) 4.271 14.255 ( 2.056 -1.003 2.958) 3.739 14.637 ( -3.151 3.729 -1.643) 5.152 14.689 ( -5.977 -1.924 -4.228) 7.570 15.062 ( 2.968 0.408 1.512) 3.356 15.102 ( 2.007 -2.662 0.144) 3.337 15.272 ( -2.244 7.422 -0.674) 7.783 15.375 ( -4.373 -2.152 -3.056) 5.753 15.636 ( 4.692 6.144 0.802) 7.772 15.747 ( 2.172 -5.386 1.794) 6.078 15.984 ( -1.031 4.024 -1.971) 4.598 16.083 ( 0.412 2.885 -2.187) 3.644 16.174 ( -1.756 -4.795 -1.416) 5.299 16.258 ( -0.813 -6.909 -3.313) 7.705 16.593 ( 2.405 1.849 4.685) 5.582 16.668 ( 2.423 -6.001 6.494) 9.168 17.283 ( 0.434 11.590 -0.075) 11.599 17.436 ( 0.183 -0.067 -2.416) 2.424 17.511 ( 4.080 -0.344 5.761) 7.068 17.535 ( 5.639 -6.547 7.049) 11.151 17.785 ( -10.334 6.172 -8.921) 14.982 17.902 ( -12.636 -5.728 -15.020) 20.447 18.095 ( -3.490 2.056 -3.626) 5.436 18.129 ( -5.271 -0.135 -5.366) 7.523 18.196 ( -3.814 4.837 -2.817) 6.773 18.355 ( -3.315 -10.421 -4.245) 11.731 18.838 ( 3.858 6.685 0.727) 7.752 18.960 ( 3.650 -5.601 0.671) 6.719 19.085 ( 11.563 3.904 11.559) 16.810 19.167 ( 6.757 -3.398 8.967) 11.731 19.252 ( -2.043 1.205 1.100) 2.615 19.307 ( -0.060 -4.217 6.127) 7.438 19.623 ( 7.581 4.759 9.124) 12.782 19.710 ( 7.961 -2.840 9.825) 12.961 19.761 ( -3.038 1.050 -1.076) 3.390 19.798 ( -0.515 -2.249 -1.821) 2.940 20.111 ( 0.143 5.542 -4.399) 7.077 20.200 ( 1.795 -3.038 -1.582) 3.867 20.459 ( -7.335 5.691 -7.740) 12.087 20.588 ( -6.448 -7.243 -5.936) 11.370 21.086 ( 9.830 13.147 13.335) 21.150 21.310 ( 10.294 -9.864 13.110) 19.368 21.828 ( -4.723 9.165 -3.774) 10.980 21.984 ( 0.801 -7.140 0.742) 7.222 22.087 ( 2.154 0.049 2.284) 3.140 22.120 ( -2.086 -3.934 -1.955) 4.863 22.299 ( -2.401 4.599 -2.391) 5.713 22.391 ( -4.613 -4.792 -4.088) 7.807 22.572 ( 2.219 2.975 1.149) 3.885 22.607 ( 0.939 -0.478 0.469) 1.154 22.939 ( -15.215 2.439 -14.121) 20.900 23.017 ( -16.712 -6.338 -16.632) 24.415 24.370 ( 17.423 15.412 15.443) 27.921 24.677 ( 14.206 -16.505 14.581) 26.207 24.976 ( -1.707 1.637 -0.281) 2.381 25.003 ( -2.417 -1.132 -0.556) 2.726 25.400 ( -2.386 11.703 -3.865) 12.554 25.554 ( -2.522 -2.423 -3.889) 5.230 25.781 ( 4.385 4.365 0.306) 6.195 25.947 ( 0.139 -14.592 -3.715) 15.058 26.550 ( 1.717 7.652 5.069) 9.338 26.706 ( 2.710 -7.702 5.044) 9.597 27.137 ( -6.716 5.966 -7.177) 11.498 27.257 ( -2.932 -6.502 -4.822) 8.609 27.333 ( 0.656 0.318 -0.467) 0.866 27.379 ( 1.248 -4.225 1.159) 4.555 27.801 ( -2.957 5.255 -4.612) 7.591 27.890 ( -3.006 -3.847 -4.472) 6.620 28.207 ( 0.414 3.283 0.434) 3.337 28.263 ( 0.599 -2.554 0.944) 2.788 28.359 ( 1.960 0.821 2.821) 3.532 28.383 ( 3.202 -1.625 2.002) 4.111 28.627 ( 6.772 6.171 5.548) 10.711 28.733 ( 1.605 -3.566 3.039) 4.952 28.896 ( 1.616 3.413 0.467) 3.805 28.961 ( 1.746 -3.424 0.600) 3.890 29.147 ( 3.225 4.869 3.133) 6.628 29.245 ( 3.199 -4.990 2.067) 6.278 29.615 ( -3.280 3.918 -2.700) 5.779 29.706 ( -1.221 -5.472 -1.908) 5.922 30.013 ( -4.809 3.229 -5.431) 7.941 30.052 ( -5.474 -0.530 -2.709) 6.131 30.368 ( -11.499 1.781 -18.817) 22.124 30.414 ( -8.659 -2.393 -18.684) 20.732 31.289 ( 6.173 0.652 -0.866) 6.267 31.330 ( 7.557 -3.619 -2.695) 8.802 31.454 ( 6.691 -0.856 19.167) 20.320 31.482 ( 8.558 -3.186 17.984) 20.170 32.099 ( -1.385 4.763 1.067) 5.074 32.164 ( -3.293 -2.026 -0.057) 3.867 32.293 ( -0.699 3.839 1.688) 4.251 32.355 ( -0.085 -2.764 2.437) 3.686 32.685 ( 0.022 2.018 2.441) 3.167 32.729 ( 1.883 -2.569 2.214) 3.879 33.045 ( 1.020 2.010 -0.057) 2.255 33.114 ( 1.443 -4.608 -0.021) 4.829 33.593 ( 0.609 4.764 -14.972) 15.724 33.657 ( 0.269 -1.951 -12.212) 12.370 34.062 ( -2.415 5.154 12.468) 13.705 34.139 ( -2.789 -2.833 12.006) 12.647 38.506 ( -0.543 -0.355 -1.161) 1.330 38.544 ( -0.032 -4.202 0.584) 4.242 38.848 ( 0.785 10.569 -8.319) 13.474 39.050 ( 0.727 -10.702 -8.682) 13.800 39.871 ( -11.070 3.562 0.605) 11.644 39.903 ( -6.633 -0.012 -0.204) 6.636 40.260 ( -1.531 5.050 2.577) 5.873 40.298 ( 1.571 0.763 4.521) 4.847 41.403 ( 0.663 0.978 1.567) 1.963 41.463 ( 1.396 -5.472 4.052) 6.950 42.149 ( 2.704 7.110 1.775) 7.811 42.272 ( 3.953 -6.208 4.023) 8.388 42.607 ( 3.348 1.563 1.242) 3.898 42.637 ( 3.152 -1.673 2.068) 4.125 43.074 ( -2.555 12.532 -1.885) 12.928 43.337 ( -3.576 -14.975 -2.543) 15.605 ======================= Grid point 29 (18/84) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 5.292 13.030 7.486) 15.932 2.160 ( 5.492 13.446 1.519) 14.603 2.296 ( -0.039 -4.913 4.638) 6.756 2.382 ( -6.669 -7.394 -1.688) 10.100 2.691 ( 2.610 8.569 4.906) 10.213 2.757 ( -3.750 10.509 -6.301) 12.814 2.831 ( 0.670 -5.382 4.943) 7.338 2.894 ( -6.356 1.928 0.558) 6.665 2.957 ( -3.247 0.983 -0.837) 3.495 3.106 ( 0.472 -9.366 0.931) 9.424 3.222 ( -11.558 2.452 0.320) 11.820 3.281 ( -14.817 -3.486 1.392) 15.285 3.441 ( -7.347 -0.898 -2.945) 7.966 3.486 ( -7.531 -4.808 -2.572) 9.298 3.760 ( -3.476 2.357 2.492) 4.884 3.820 ( -4.588 -4.831 1.445) 6.817 4.084 ( -0.846 2.503 -5.069) 5.716 4.154 ( 1.439 -2.227 -0.986) 2.829 4.358 ( -2.507 4.499 -3.410) 6.177 4.396 ( 1.270 -0.118 -3.891) 4.095 4.532 ( 2.524 -0.164 -0.434) 2.566 4.613 ( -0.896 -6.682 -1.870) 6.996 4.776 ( -0.325 13.413 8.473) 15.868 4.879 ( 1.371 2.411 2.977) 4.069 4.973 ( 6.060 -1.290 2.385) 6.639 5.086 ( -2.797 -9.418 4.472) 10.794 5.392 ( -4.845 3.023 -4.838) 7.484 5.481 ( -0.857 -1.845 -1.992) 2.847 5.581 ( 1.130 1.502 1.326) 2.300 5.597 ( 6.150 4.655 0.398) 7.723 5.823 ( 1.828 -4.388 7.397) 8.792 5.867 ( -1.013 -3.682 3.510) 5.187 5.966 ( 3.073 6.515 2.520) 7.631 6.124 ( -7.148 3.353 3.225) 8.529 6.153 ( -2.835 -4.449 1.457) 5.473 6.203 ( 0.599 -4.013 -0.963) 4.170 6.341 ( 2.461 4.824 -9.668) 11.081 6.413 ( 7.244 -1.941 -4.067) 8.531 6.554 ( 0.963 -0.561 -8.370) 8.444 6.599 ( -4.295 -4.054 -5.099) 7.803 6.757 ( -5.930 2.497 -1.320) 6.568 6.830 ( -1.812 -3.624 0.485) 4.081 7.044 ( -5.823 2.157 1.092) 6.305 7.052 ( 4.308 0.510 1.066) 4.467 7.287 ( -1.709 -2.802 2.283) 3.998 7.308 ( 0.521 -4.798 4.466) 6.575 7.760 ( 2.183 3.309 -4.734) 6.175 7.842 ( -1.929 -5.866 -6.780) 9.171 8.071 ( 4.220 2.780 -2.557) 5.663 8.134 ( 0.799 -3.158 1.773) 3.709 8.280 ( 1.133 5.452 3.680) 6.675 8.382 ( -1.492 -6.202 5.325) 8.309 8.646 ( 2.996 2.827 1.293) 4.317 8.721 ( -0.445 -5.305 0.344) 5.335 9.027 ( 2.879 6.704 -0.260) 7.301 9.110 ( 1.458 -0.423 -0.478) 1.591 9.355 ( 2.314 8.497 -5.292) 10.275 9.460 ( 1.509 3.944 -8.939) 9.886 9.473 ( -1.916 -3.782 -10.603) 11.419 9.664 ( 4.122 -11.142 0.472) 11.889 9.789 ( 6.619 4.768 2.861) 8.644 9.939 ( 3.039 -9.729 0.151) 10.193 10.135 ( -0.471 8.472 -6.372) 10.611 10.242 ( 0.582 2.830 1.869) 3.441 10.304 ( -0.091 0.268 4.235) 4.245 10.438 ( 4.171 -6.701 6.938) 10.509 10.545 ( 0.830 9.602 -1.621) 9.773 10.729 ( 3.527 -5.016 0.296) 6.139 10.879 ( 4.656 3.270 -0.899) 5.761 10.961 ( 0.276 -5.399 0.260) 5.412 11.248 ( -0.594 4.896 2.072) 5.349 11.361 ( -1.455 -6.995 -0.222) 7.149 11.456 ( -4.254 4.928 3.299) 7.298 11.569 ( -0.546 -6.809 2.325) 7.216 12.008 ( -5.186 3.812 -5.290) 8.331 12.052 ( -0.107 -1.664 -1.454) 2.212 12.243 ( -1.944 4.751 8.459) 9.895 12.324 ( -4.161 -2.095 6.497) 7.994 12.724 ( -6.065 6.029 -2.264) 8.846 12.796 ( -2.416 2.061 -3.943) 5.063 12.824 ( 2.709 0.525 2.595) 3.788 12.892 ( -4.454 -8.008 2.328) 9.454 13.053 ( -1.015 -0.844 0.175) 1.332 13.105 ( 1.114 -3.492 -0.780) 3.748 13.439 ( 0.631 5.532 -2.246) 6.004 13.519 ( 0.856 -1.808 -3.909) 4.391 13.780 ( 6.660 2.861 0.376) 7.258 13.803 ( 7.511 -0.294 0.527) 7.535 14.159 ( -3.924 7.038 -0.275) 8.062 14.316 ( 0.185 -6.827 1.168) 6.929 14.562 ( -3.088 1.621 -0.889) 3.599 14.595 ( -0.914 -1.382 0.702) 1.800 15.072 ( -1.327 1.026 -1.438) 2.209 15.110 ( -0.412 -2.150 -2.093) 3.029 15.239 ( -1.149 5.714 -0.043) 5.829 15.308 ( -1.161 -1.771 -0.783) 2.258 15.678 ( 0.169 3.777 -3.926) 5.451 15.772 ( 0.617 -5.609 -2.866) 6.329 15.957 ( 1.946 4.072 -0.190) 4.517 16.031 ( -1.176 -1.331 -1.666) 2.435 16.187 ( 2.084 -1.889 0.262) 2.825 16.232 ( 1.405 -4.313 -0.192) 4.540 16.685 ( -0.702 2.343 3.930) 4.629 16.738 ( -1.177 -1.913 3.769) 4.387 17.321 ( 4.565 6.800 4.836) 9.511 17.412 ( -0.377 0.597 -1.306) 1.484 17.576 ( -3.498 0.582 -3.002) 4.646 17.610 ( 0.023 5.570 -1.824) 5.861 17.739 ( 5.790 -3.301 8.735) 10.987 17.763 ( 3.371 -3.010 4.175) 6.153 17.943 ( -2.705 -0.988 -5.868) 6.537 17.989 ( -4.626 -4.566 -6.445) 9.153 18.178 ( 0.431 2.929 1.276) 3.224 18.272 ( -2.171 -7.310 -1.022) 7.694 18.885 ( 2.254 3.043 -0.101) 3.788 18.916 ( -1.874 -0.093 -3.851) 4.284 19.215 ( -2.337 1.356 -0.015) 2.702 19.253 ( 0.101 -2.698 2.884) 3.951 19.304 ( 0.416 5.519 6.339) 8.415 19.419 ( -0.509 -5.946 6.342) 8.708 19.667 ( -5.280 2.562 -7.159) 9.257 19.709 ( -2.931 -2.061 -3.737) 5.177 19.864 ( 3.829 3.813 3.210) 6.285 19.919 ( 1.571 -1.006 1.073) 2.152 20.007 ( -2.043 7.157 -7.182) 10.343 20.167 ( 0.116 -8.834 -4.753) 10.032 20.374 ( 2.323 5.234 3.407) 6.664 20.489 ( 0.482 -6.006 0.941) 6.099 21.450 ( 10.187 13.334 13.471) 21.519 21.547 ( -13.794 11.802 -10.792) 21.120 21.701 ( 8.457 -12.369 10.614) 18.362 21.742 ( -12.115 -8.483 -10.234) 17.985 22.184 ( 1.621 0.845 2.801) 3.344 22.210 ( 4.664 -0.818 5.382) 7.169 22.219 ( -1.681 -0.208 -0.014) 1.694 22.249 ( 0.211 -2.605 1.812) 3.181 22.579 ( -0.307 1.972 -1.956) 2.795 22.619 ( 0.181 -1.047 -0.344) 1.116 22.784 ( 4.879 1.968 3.282) 6.200 22.847 ( 4.156 -4.111 2.853) 6.505 24.753 ( 10.772 11.022 9.390) 18.047 24.877 ( -5.504 5.479 -6.650) 10.224 24.949 ( 0.533 -4.876 1.894) 5.258 24.960 ( -1.799 -1.862 -0.181) 2.595 25.313 ( -1.425 1.683 -0.959) 2.405 25.447 ( -3.792 -7.289 -2.969) 8.736 25.838 ( 4.025 0.323 -2.771) 4.897 25.884 ( 0.506 -6.510 -5.847) 8.765 26.605 ( -3.769 3.743 1.498) 5.519 26.674 ( -9.041 -2.968 -4.318) 10.450 27.105 ( 5.862 6.047 5.070) 9.830 27.220 ( 3.105 -5.146 2.700) 6.588 27.348 ( 3.714 2.496 -0.480) 4.500 27.445 ( 4.777 -6.365 1.356) 8.073 27.739 ( -0.733 5.407 -1.568) 5.678 27.832 ( -0.432 -3.692 -1.948) 4.196 28.201 ( -0.219 2.925 -0.592) 2.993 28.248 ( -0.582 -2.112 -1.593) 2.709 28.300 ( -3.610 3.599 -5.171) 7.261 28.368 ( -1.555 -2.795 -1.929) 3.735 28.748 ( -0.410 2.447 -0.595) 2.551 28.796 ( 0.106 -2.104 -1.629) 2.663 28.939 ( 0.372 3.770 1.034) 3.927 29.004 ( 0.075 -3.022 1.203) 3.254 29.199 ( -5.527 1.158 -2.297) 6.096 29.231 ( -8.010 -1.936 -4.356) 9.321 29.579 ( 11.493 9.081 2.598) 14.876 29.761 ( 13.510 -9.473 4.710) 17.159 29.862 ( -4.039 1.048 -3.138) 5.221 29.890 ( -5.007 -2.205 -5.718) 7.913 30.131 ( -4.599 4.651 -4.573) 7.980 30.249 ( -0.526 -7.739 -2.350) 8.105 31.254 ( -0.789 2.415 -7.208) 7.642 31.311 ( 0.159 -3.830 -7.490) 8.413 31.758 ( 7.993 3.155 10.856) 13.846 31.821 ( 9.644 -2.727 10.271) 14.351 32.109 ( -3.666 4.737 3.076) 6.733 32.160 ( -3.240 -0.660 3.000) 4.465 32.274 ( -2.033 1.830 3.465) 4.415 32.334 ( -4.347 -3.641 0.970) 5.753 32.767 ( 3.411 1.483 5.825) 6.912 32.806 ( 3.194 -2.562 3.493) 5.382 33.053 ( 0.175 3.133 -0.458) 3.171 33.140 ( 1.903 -5.529 0.140) 5.849 33.417 ( 0.654 3.891 -13.440) 14.007 33.486 ( -0.434 -3.477 -13.423) 13.873 34.186 ( -2.235 7.258 12.884) 14.955 34.288 ( 1.024 -3.755 13.001) 13.571 38.484 ( -0.338 1.455 -1.133) 1.874 38.552 ( 0.043 -5.457 0.867) 5.526 38.728 ( -0.071 9.222 -10.753) 14.166 38.916 ( -0.551 -10.397 -12.216) 16.051 39.731 ( -9.410 7.078 3.295) 12.227 39.819 ( -6.253 -2.329 2.271) 7.048 40.306 ( 0.826 9.071 4.791) 10.291 40.402 ( 2.181 -1.218 7.030) 7.460 41.422 ( -0.457 1.503 0.874) 1.798 41.500 ( -0.527 -6.582 1.014) 6.680 42.216 ( 1.777 7.911 2.838) 8.591 42.357 ( 1.380 -7.285 2.294) 7.761 42.686 ( 4.629 2.208 1.266) 5.282 42.732 ( 4.873 -3.024 2.451) 6.237 42.997 ( -4.019 10.059 -2.114) 11.037 43.224 ( -5.599 -13.591 -4.050) 15.247 ======================= Grid point 30 (19/84) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -15.866 6.778 -11.670) 20.829 2.152 ( -10.613 -5.810 -7.120) 14.039 2.295 ( -8.305 1.080 4.457) 9.487 2.354 ( 2.943 1.507 1.002) 3.455 2.410 ( -8.764 14.770 -6.131) 18.236 2.597 ( -7.007 6.950 -3.745) 10.556 2.782 ( -3.743 0.977 -1.545) 4.166 2.876 ( -1.463 -10.853 0.176) 10.953 3.036 ( 1.612 7.090 3.582) 8.105 3.191 ( -0.691 -6.040 8.450) 10.410 3.245 ( 5.710 -4.070 6.427) 9.512 3.253 ( 7.585 -1.442 2.949) 8.265 3.357 ( -4.987 -1.901 3.059) 6.151 3.409 ( -2.264 -5.488 2.547) 6.460 3.711 ( -6.315 2.206 1.896) 6.953 3.743 ( -6.323 -1.727 0.353) 6.565 4.002 ( -0.336 1.170 -7.120) 7.224 4.074 ( -0.778 -5.265 -9.408) 10.809 4.326 ( 0.690 8.444 -0.570) 8.492 4.400 ( 1.955 0.011 0.769) 2.101 4.570 ( 2.970 -1.990 -1.756) 3.983 4.583 ( 2.476 -3.092 0.537) 3.997 4.877 ( -0.150 7.242 5.950) 9.374 4.970 ( 2.094 4.629 4.164) 6.569 5.074 ( -5.538 -7.850 0.820) 9.641 5.087 ( 1.593 -3.821 2.999) 5.112 5.407 ( 10.183 5.452 4.295) 12.324 5.521 ( 6.524 -4.706 3.863) 8.924 5.660 ( 2.205 7.127 2.096) 7.749 5.718 ( 4.173 2.030 4.540) 6.492 5.863 ( -2.412 -2.348 -0.071) 3.367 5.914 ( 1.139 3.417 1.980) 4.110 5.976 ( -3.043 -0.125 0.064) 3.047 6.045 ( -3.244 9.383 0.243) 9.931 6.172 ( -0.801 -2.522 3.406) 4.314 6.210 ( 0.471 -12.378 2.107) 12.565 6.278 ( 3.481 3.525 -5.407) 7.333 6.420 ( -1.277 -10.450 -7.090) 12.692 6.537 ( 5.440 2.265 -6.136) 8.507 6.544 ( 3.947 0.328 0.927) 4.068 6.616 ( -5.300 7.524 -2.708) 9.594 6.824 ( -2.025 -6.774 0.423) 7.083 6.951 ( -7.830 2.579 1.335) 8.351 7.031 ( -7.400 -4.316 0.975) 8.622 7.362 ( -0.076 0.297 0.393) 0.498 7.409 ( 3.707 -4.402 5.172) 7.737 7.591 ( -6.255 1.129 -9.099) 11.099 7.674 ( -4.226 -7.055 -4.791) 9.517 7.986 ( -1.491 3.020 -9.614) 10.187 8.052 ( -1.678 -3.255 -5.922) 6.963 8.357 ( 0.462 7.004 3.128) 7.685 8.484 ( 0.834 -7.172 8.715) 11.318 8.744 ( 4.348 3.381 1.454) 5.697 8.796 ( 5.274 -2.714 2.775) 6.549 9.090 ( 2.649 6.517 2.389) 7.429 9.135 ( 1.155 3.073 -0.996) 3.430 9.194 ( -3.547 0.898 -13.891) 14.365 9.337 ( 1.243 -10.350 -3.783) 11.090 9.426 ( 1.291 14.919 -2.909) 15.254 9.732 ( 2.444 -13.268 1.309) 13.555 9.893 ( 3.571 2.244 -0.151) 4.220 9.945 ( -0.226 -3.875 -0.589) 3.926 10.071 ( -1.564 2.721 -3.123) 4.428 10.136 ( -4.743 -2.781 -3.162) 6.342 10.437 ( 0.489 9.754 1.923) 9.954 10.560 ( 0.736 -2.496 2.572) 3.659 10.611 ( 8.696 12.757 6.288) 16.670 10.828 ( 6.919 -5.319 -0.576) 8.746 10.957 ( 6.744 0.182 1.452) 6.901 10.995 ( 2.501 -2.606 1.503) 3.912 11.286 ( 0.554 3.010 3.773) 4.858 11.369 ( 1.676 -4.817 3.484) 6.177 11.435 ( -3.751 4.685 2.566) 6.527 11.545 ( -4.532 -6.762 -1.106) 8.215 11.879 ( -4.793 7.959 -2.650) 9.662 12.026 ( -0.427 -7.136 -1.811) 7.375 12.332 ( 0.108 1.148 6.374) 6.477 12.348 ( -2.504 -0.357 4.467) 5.134 12.584 ( -5.347 3.507 -4.213) 7.658 12.652 ( -7.006 -2.229 -4.596) 8.671 12.864 ( -0.931 -0.358 0.743) 1.244 12.869 ( -0.870 -0.941 -0.867) 1.547 13.060 ( 0.647 2.082 2.024) 2.975 13.119 ( 1.175 -0.671 -0.606) 1.483 13.397 ( -1.395 5.190 -1.810) 5.670 13.480 ( 0.097 -1.463 -2.270) 2.703 13.896 ( 8.603 4.204 -0.723) 9.603 13.955 ( 8.201 -1.641 1.658) 8.526 14.081 ( -6.430 4.547 0.951) 7.932 14.259 ( -3.685 -12.067 -2.820) 12.929 14.598 ( 2.778 4.190 3.810) 6.308 14.664 ( 3.723 -2.690 5.400) 7.089 15.018 ( -1.956 1.160 -2.223) 3.180 15.050 ( -2.053 -1.069 -3.337) 4.061 15.243 ( 0.842 4.463 1.410) 4.756 15.311 ( 1.330 -3.671 0.479) 3.934 15.549 ( -5.627 2.345 -6.700) 9.058 15.660 ( -5.648 -7.677 -6.991) 11.820 16.017 ( 2.134 7.660 1.910) 8.178 16.061 ( 3.118 5.244 1.535) 6.291 16.224 ( 3.557 -3.998 0.002) 5.352 16.259 ( 0.652 -6.334 0.487) 6.386 16.674 ( -1.957 3.104 0.977) 3.797 16.743 ( -2.574 -3.390 0.488) 4.284 17.400 ( 1.518 5.505 0.295) 5.718 17.446 ( -0.485 -1.452 -0.433) 1.591 17.568 ( 1.935 7.341 3.206) 8.241 17.670 ( -1.836 -1.208 0.444) 2.242 17.744 ( 3.921 5.205 4.410) 7.869 17.906 ( 4.571 -0.013 1.295) 4.751 17.968 ( 4.661 -11.530 4.848) 13.348 18.007 ( 7.922 -7.640 7.162) 13.131 18.222 ( 2.371 2.355 2.616) 4.244 18.272 ( 1.518 -2.658 2.615) 4.026 18.830 ( -3.480 3.449 -5.157) 7.113 18.891 ( -1.506 -2.659 -3.290) 4.490 19.143 ( -5.196 7.016 -4.264) 9.716 19.251 ( -4.360 -4.239 -2.178) 6.459 19.340 ( -3.012 2.428 0.239) 3.876 19.363 ( -6.933 2.049 -8.047) 10.818 19.455 ( -6.295 -0.352 -2.927) 6.951 19.510 ( -8.099 -4.310 -5.273) 10.582 19.827 ( -1.442 2.982 -1.591) 3.675 19.881 ( -0.180 -1.103 -0.367) 1.176 19.999 ( 2.023 4.707 -1.866) 5.452 20.125 ( 0.399 -6.654 -3.605) 7.578 20.509 ( 5.246 3.684 5.484) 8.436 20.581 ( 3.884 -4.132 4.021) 6.952 21.146 ( -12.517 9.083 -9.447) 18.122 21.308 ( -13.173 -7.925 -10.589) 18.667 21.766 ( 6.250 11.252 7.065) 14.683 21.967 ( 3.818 -9.739 3.401) 11.000 22.138 ( -1.656 1.503 -1.289) 2.581 22.184 ( -0.159 -3.181 0.179) 3.190 22.399 ( 5.712 5.979 6.031) 10.235 22.505 ( 7.946 -3.258 9.062) 12.485 22.578 ( 1.783 0.148 -0.082) 1.791 22.621 ( 1.219 -2.523 0.376) 2.827 23.059 ( 14.263 4.304 16.185) 21.997 23.157 ( 18.715 -5.785 20.279) 28.195 24.526 ( -15.843 13.722 -19.019) 28.303 24.724 ( -14.312 -6.743 -14.523) 21.477 24.917 ( -0.582 1.334 0.288) 1.483 24.954 ( -1.025 -1.983 0.244) 2.245 25.316 ( 2.829 8.054 3.779) 9.336 25.517 ( 5.109 -12.502 5.890) 14.735 25.811 ( 0.786 0.967 -3.791) 3.990 25.851 ( 0.941 -2.615 -3.443) 4.425 26.471 ( -7.492 -1.071 -5.481) 9.345 26.485 ( -6.640 -2.774 -4.235) 8.350 27.315 ( 7.357 7.652 8.890) 13.846 27.324 ( 2.685 8.329 3.942) 9.598 27.475 ( 8.774 -2.460 3.610) 9.801 27.535 ( 4.471 -5.637 1.326) 7.316 27.733 ( 0.241 1.833 1.356) 2.292 27.808 ( -0.143 -4.497 -1.487) 4.739 28.187 ( -0.223 0.941 -1.563) 1.838 28.211 ( -1.312 1.794 -1.003) 2.438 28.231 ( 0.113 0.893 -0.336) 0.960 28.324 ( -2.102 -4.550 -0.910) 5.094 28.559 ( -10.781 0.851 -13.681) 17.439 28.595 ( -9.532 -2.537 -14.520) 17.554 28.900 ( -1.966 3.071 0.161) 3.650 28.942 ( -3.691 -1.287 -0.804) 3.991 29.166 ( 1.470 1.433 1.511) 2.549 29.184 ( 3.461 -0.676 3.100) 4.696 29.733 ( -0.383 3.957 -2.411) 4.650 29.780 ( -2.086 -1.553 -3.271) 4.179 29.929 ( 2.013 1.936 4.029) 4.902 29.988 ( 3.090 -2.703 2.653) 4.888 30.126 ( 9.790 7.201 8.651) 14.918 30.324 ( 8.934 -13.402 5.902) 17.154 31.115 ( -4.373 4.116 -9.496) 11.235 31.180 ( -2.812 -2.924 -7.282) 8.335 31.926 ( -0.727 1.506 0.002) 1.672 31.951 ( 1.145 -0.667 -1.104) 1.725 32.093 ( 0.390 4.447 5.719) 7.255 32.154 ( -0.146 -0.530 5.995) 6.020 32.290 ( -3.077 -1.013 0.422) 3.266 32.320 ( -0.908 -3.315 2.260) 4.114 32.885 ( 1.938 0.508 4.397) 4.832 32.897 ( 2.653 -0.642 4.675) 5.413 33.033 ( -0.548 5.714 -1.976) 6.071 33.172 ( 1.301 -7.010 1.287) 7.244 33.304 ( 1.741 0.816 -7.304) 7.553 33.337 ( -0.554 -3.552 -8.925) 9.622 34.306 ( -0.150 9.926 8.307) 12.944 34.457 ( 2.272 -6.585 8.739) 11.176 38.473 ( 0.236 3.853 -0.383) 3.880 38.565 ( -0.112 -3.505 0.039) 3.507 38.613 ( -0.259 3.450 -4.951) 6.040 38.759 ( -1.484 -9.614 -9.567) 13.644 39.676 ( -4.025 7.358 2.908) 8.877 39.779 ( -3.049 -3.120 1.918) 4.765 40.379 ( 1.185 11.704 3.660) 12.320 40.513 ( 1.717 -2.433 5.314) 6.091 41.416 ( -0.840 1.059 0.151) 1.360 41.490 ( -0.871 -6.479 -0.356) 6.547 42.260 ( 0.155 7.237 1.990) 7.507 42.375 ( -0.364 -5.087 0.203) 5.104 42.758 ( 3.512 2.595 0.254) 4.374 42.812 ( 3.904 -3.606 -0.297) 5.323 42.923 ( -3.977 6.690 0.149) 7.785 43.098 ( -4.549 -11.361 -3.084) 12.621 ======================= Grid point 31 (20/84) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 0.000 3.836 0.000) 3.836 1.894 ( 0.000 -13.038 0.000) 13.038 2.254 ( 0.000 2.794 0.000) 2.794 2.300 ( 0.000 -0.071 0.000) 0.071 2.452 ( 0.000 17.914 0.000) 17.914 2.550 ( -0.000 16.252 0.000) 16.252 2.706 ( 0.000 -1.695 0.000) 1.695 2.882 ( 0.000 -20.361 0.000) 20.361 3.071 ( 0.000 9.159 0.000) 9.159 3.253 ( -0.000 -9.456 0.000) 9.456 3.302 ( 0.000 -3.974 0.000) 3.974 3.316 ( 0.000 -4.605 -0.000) 4.605 3.392 ( -0.000 4.910 0.000) 4.910 3.474 ( 0.000 -3.664 0.000) 3.664 3.649 ( 0.000 1.813 -0.000) 1.813 3.690 ( 0.000 -2.924 0.000) 2.924 3.947 ( 0.000 0.862 0.000) 0.862 3.988 ( 0.000 -3.653 0.000) 3.653 4.329 ( 0.000 10.868 0.000) 10.868 4.432 ( 0.000 -0.408 0.000) 0.408 4.580 ( 0.000 0.333 0.000) 0.333 4.631 ( 0.000 -5.120 -0.000) 5.120 4.913 ( 0.000 2.208 -0.000) 2.208 5.004 ( 0.000 1.782 0.000) 1.782 5.022 ( 0.000 -3.101 0.000) 3.101 5.110 ( 0.000 -3.906 0.000) 3.906 5.622 ( -0.000 4.412 -0.000) 4.412 5.634 ( -0.000 1.651 -0.000) 1.651 5.643 ( 0.000 7.702 0.000) 7.702 5.811 ( 0.000 -6.952 0.000) 6.952 5.816 ( -0.000 4.725 -0.000) 4.725 5.872 ( 0.000 -2.060 0.000) 2.060 5.986 ( -0.000 11.957 0.000) 11.957 6.028 ( 0.000 7.156 0.000) 7.156 6.186 ( 0.000 -1.790 -0.000) 1.790 6.225 ( 0.000 -7.359 0.000) 7.359 6.295 ( 0.000 -3.767 0.000) 3.767 6.341 ( 0.000 -4.573 0.000) 4.573 6.503 ( 0.000 8.425 0.000) 8.425 6.609 ( -0.000 -0.348 0.000) 0.348 6.621 ( -0.000 -1.257 0.000) 1.257 6.752 ( 0.000 -9.911 0.000) 9.911 6.912 ( 0.000 -3.509 -0.000) 3.509 6.935 ( 0.000 -7.167 0.000) 7.167 7.287 ( 0.000 6.323 0.000) 6.323 7.449 ( 0.000 -10.581 0.000) 10.581 7.531 ( 0.000 2.943 0.000) 2.943 7.674 ( 0.000 -8.793 0.000) 8.793 7.920 ( -0.000 2.641 0.000) 2.641 7.951 ( 0.000 -1.320 0.000) 1.320 8.384 ( 0.000 10.671 0.000) 10.671 8.554 ( 0.000 -7.843 -0.000) 7.843 8.797 ( 0.000 4.588 0.000) 4.588 8.863 ( 0.000 -2.010 0.000) 2.010 9.049 ( 0.000 -0.976 -0.000) 0.976 9.068 ( -0.000 -1.401 0.000) 1.401 9.179 ( 0.000 7.056 0.000) 7.056 9.354 ( 0.000 -11.303 0.000) 11.303 9.417 ( 0.000 19.068 0.000) 19.068 9.758 ( 0.000 -14.519 0.000) 14.519 9.904 ( 0.000 4.609 0.000) 4.609 9.947 ( 0.000 -2.568 0.000) 2.568 10.024 ( 0.000 0.069 0.000) 0.069 10.075 ( 0.000 -4.051 0.000) 4.051 10.447 ( 0.000 11.063 0.000) 11.063 10.566 ( 0.000 -1.610 0.000) 1.610 10.763 ( 0.000 11.507 0.000) 11.507 10.848 ( 0.000 2.408 0.000) 2.408 11.033 ( 0.000 -2.091 0.000) 2.091 11.051 ( 0.000 -2.089 -0.000) 2.089 11.334 ( 0.000 5.033 0.000) 5.033 11.410 ( 0.000 1.519 0.000) 1.519 11.453 ( -0.000 -6.743 0.000) 6.743 11.461 ( 0.000 -4.367 0.000) 4.367 11.819 ( 0.000 9.168 0.000) 9.168 12.007 ( 0.000 -9.508 0.000) 9.508 12.353 ( -0.000 -0.072 0.000) 0.072 12.380 ( 0.000 -1.809 0.000) 1.809 12.513 ( 0.000 2.741 0.000) 2.741 12.554 ( 0.000 -2.255 0.000) 2.255 12.851 ( -0.000 0.313 0.000) 0.313 12.854 ( 0.000 -0.058 -0.000) 0.058 13.090 ( 0.000 1.828 0.000) 1.828 13.118 ( 0.000 2.358 0.000) 2.358 13.375 ( 0.000 5.480 0.000) 5.480 13.467 ( 0.000 -1.650 -0.000) 1.650 13.981 ( 0.000 6.749 0.000) 6.749 14.016 ( -0.000 1.155 0.000) 1.155 14.034 ( 0.000 -0.870 0.000) 0.870 14.205 ( 0.000 -14.440 0.000) 14.440 14.657 ( 0.000 4.802 0.000) 4.802 14.749 ( 0.000 -4.926 0.000) 4.926 14.986 ( 0.000 1.202 0.000) 1.202 15.000 ( 0.000 0.850 0.000) 0.850 15.295 ( 0.000 2.962 0.000) 2.962 15.319 ( -0.000 -1.566 -0.000) 1.566 15.441 ( 0.000 -0.836 0.000) 0.836 15.541 ( 0.000 -7.770 0.000) 7.770 16.049 ( 0.000 10.756 0.000) 10.756 16.091 ( 0.000 9.195 -0.000) 9.195 16.257 ( -0.000 -6.928 0.000) 6.928 16.271 ( 0.000 -5.943 -0.000) 5.943 16.682 ( 0.000 -0.273 0.000) 0.273 16.702 ( 0.000 -2.317 0.000) 2.317 17.428 ( 0.000 5.082 0.000) 5.082 17.433 ( 0.000 -0.840 0.000) 0.840 17.511 ( 0.000 3.444 0.000) 3.444 17.690 ( 0.000 -9.432 0.000) 9.432 17.849 ( 0.000 8.957 0.000) 8.957 17.944 ( 0.000 3.220 0.000) 3.220 18.117 ( 0.000 -9.274 0.000) 9.274 18.143 ( 0.000 -7.567 0.000) 7.567 18.308 ( 0.000 6.468 0.000) 6.468 18.413 ( 0.000 -4.354 0.000) 4.354 18.637 ( 0.000 4.279 0.000) 4.279 18.739 ( 0.000 -6.172 0.000) 6.172 19.049 ( 0.000 6.213 0.000) 6.213 19.130 ( 0.000 -1.950 0.000) 1.950 19.260 ( 0.000 5.138 0.000) 5.138 19.322 ( 0.000 -1.229 -0.000) 1.229 19.412 ( 0.000 0.668 0.000) 0.668 19.452 ( 0.000 -4.114 0.000) 4.114 19.814 ( 0.000 4.958 0.000) 4.958 19.884 ( 0.000 0.433 0.000) 0.433 20.005 ( 0.000 0.189 0.000) 0.189 20.096 ( 0.000 -6.370 0.000) 6.370 20.599 ( 0.000 1.897 -0.000) 1.897 20.639 ( 0.000 -2.086 0.000) 2.086 20.986 ( 0.000 8.596 0.000) 8.596 21.140 ( 0.000 -7.571 0.000) 7.571 21.846 ( 0.000 8.760 0.000) 8.760 22.003 ( 0.000 -7.830 0.000) 7.830 22.118 ( 0.000 2.693 0.000) 2.693 22.188 ( 0.000 -4.580 0.000) 4.580 22.473 ( 0.000 8.143 0.000) 8.143 22.578 ( 0.000 3.637 0.000) 3.637 22.598 ( 0.000 -3.376 -0.000) 3.376 22.669 ( 0.000 -7.518 -0.000) 7.518 23.411 ( 0.000 7.757 0.000) 7.757 23.575 ( 0.000 -9.127 -0.000) 9.127 24.186 ( 0.000 11.683 0.000) 11.683 24.353 ( 0.000 -6.580 0.000) 6.580 24.911 ( 0.000 1.315 0.000) 1.315 24.947 ( 0.000 -2.264 0.000) 2.264 25.389 ( 0.000 10.962 0.000) 10.962 25.604 ( 0.000 -11.675 0.000) 11.675 25.796 ( 0.000 1.093 -0.000) 1.093 25.829 ( 0.000 -2.150 0.000) 2.150 26.371 ( 0.000 -1.696 0.000) 1.696 26.397 ( 0.000 -4.338 -0.000) 4.338 27.377 ( 0.000 12.971 0.000) 12.971 27.445 ( 0.000 8.329 0.000) 8.329 27.576 ( -0.000 -1.417 0.000) 1.417 27.578 ( 0.000 -0.585 -0.000) 0.585 27.750 ( -0.000 -1.613 0.000) 1.613 27.814 ( 0.000 -11.040 0.000) 11.040 28.198 ( -0.000 -0.854 0.000) 0.854 28.200 ( 0.000 0.881 0.000) 0.881 28.249 ( 0.000 2.610 0.000) 2.610 28.290 ( 0.000 2.694 0.000) 2.694 28.306 ( -0.000 -2.442 -0.000) 2.442 28.402 ( 0.000 -6.265 -0.000) 6.265 28.891 ( 0.000 2.420 0.000) 2.420 28.914 ( 0.000 -0.063 0.000) 0.063 29.197 ( 0.000 3.218 0.000) 3.218 29.249 ( 0.000 -2.479 0.000) 2.479 29.704 ( 0.000 2.540 0.000) 2.540 29.748 ( 0.000 -2.672 0.000) 2.672 29.911 ( 0.000 4.416 0.000) 4.416 30.000 ( 0.000 -4.122 0.000) 4.122 30.377 ( 0.000 3.226 0.000) 3.226 30.462 ( 0.000 -5.884 0.000) 5.884 30.967 ( 0.000 8.428 0.000) 8.428 31.107 ( 0.000 -6.313 0.000) 6.313 31.898 ( -0.000 -0.180 -0.000) 0.180 31.903 ( 0.000 -2.167 0.000) 2.167 32.203 ( 0.000 2.140 0.000) 2.140 32.235 ( 0.000 2.656 0.000) 2.656 32.249 ( 0.000 -1.693 0.000) 1.693 32.282 ( 0.000 -2.304 -0.000) 2.304 32.934 ( 0.000 0.371 -0.000) 0.371 32.948 ( 0.000 0.321 0.000) 0.321 33.011 ( 0.000 6.437 0.000) 6.437 33.201 ( 0.000 -10.858 0.000) 10.858 33.261 ( 0.000 0.892 -0.000) 0.892 33.278 ( 0.000 -2.036 0.000) 2.036 34.361 ( 0.000 11.017 0.000) 11.017 34.534 ( 0.000 -7.976 0.000) 7.976 38.477 ( 0.000 6.750 0.000) 6.750 38.535 ( 0.000 2.439 0.000) 2.439 38.628 ( 0.000 -4.835 0.000) 4.835 38.660 ( 0.000 -10.560 -0.000) 10.560 39.667 ( 0.000 7.152 0.000) 7.152 39.769 ( 0.000 -3.191 0.000) 3.191 40.413 ( 0.000 12.750 0.000) 12.750 40.562 ( 0.000 -2.871 0.000) 2.871 41.410 ( 0.000 0.775 0.000) 0.775 41.479 ( 0.000 -6.392 0.000) 6.392 42.273 ( 0.000 6.639 0.000) 6.639 42.370 ( 0.000 -3.937 0.000) 3.937 42.787 ( 0.000 2.445 0.000) 2.445 42.839 ( 0.000 -3.552 -0.000) 3.552 42.893 ( -0.000 5.228 0.000) 5.228 43.041 ( 0.000 -10.045 0.000) 10.045 ======================= Grid point 63 (21/84) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 31.486 0.000 38.164) 49.476 0.947 ( 0.782 0.000 41.573) 41.581 1.451 ( 3.042 0.000 58.244) 58.323 1.980 ( -4.294 0.000 11.063) 11.867 2.435 ( -0.705 0.000 0.397) 0.809 2.544 ( -9.121 0.000 -8.119) 12.211 2.576 ( 0.062 0.000 12.691) 12.691 3.028 ( 2.773 0.000 0.659) 2.850 3.139 ( -4.933 0.000 -0.754) 4.990 3.159 ( 9.211 0.000 3.711) 9.930 3.392 ( -4.387 0.000 -3.292) 5.485 3.528 ( 0.176 0.000 -1.634) 1.644 3.531 ( -4.166 0.000 -2.916) 5.085 3.719 ( -4.474 0.000 -7.806) 8.997 3.773 ( 3.349 0.000 1.067) 3.515 3.943 ( 5.526 0.000 -1.601) 5.753 4.160 ( 5.225 0.000 -1.250) 5.373 4.176 ( 6.872 0.000 8.165) 10.672 4.280 ( 1.789 0.000 -9.963) 10.122 4.339 ( -5.170 0.000 3.871) 6.459 4.492 ( -5.676 0.000 -5.283) 7.754 4.695 ( -0.287 0.000 -12.121) 12.124 4.791 ( 3.545 0.000 -15.262) 15.669 4.981 ( -2.763 0.000 1.106) 2.976 5.007 ( -8.134 0.000 -5.283) 9.699 5.161 ( 3.725 0.000 -0.563) 3.768 5.245 ( -0.517 0.000 1.820) 1.892 5.313 ( -10.157 0.000 -7.775) 12.791 5.436 ( 1.510 0.000 4.111) 4.380 5.590 ( 2.098 0.000 3.462) 4.049 5.726 ( 26.390 0.000 7.234) 27.363 5.848 ( 4.515 0.000 -14.495) 15.182 5.860 ( 6.755 0.000 7.675) 10.224 5.965 ( 10.164 0.000 2.582) 10.487 6.149 ( -2.000 0.000 4.384) 4.819 6.271 ( 6.149 0.000 -0.812) 6.202 6.491 ( -8.499 0.000 6.375) 10.624 6.541 ( -7.244 0.000 -0.925) 7.303 6.721 ( 0.760 0.000 -4.836) 4.896 6.738 ( -8.674 0.000 3.014) 9.183 6.941 ( 6.856 0.000 -0.679) 6.889 7.070 ( -1.628 0.000 -4.610) 4.889 7.109 ( -1.727 0.000 -0.589) 1.825 7.365 ( -16.361 0.000 -13.836) 21.427 7.528 ( -7.548 0.000 -11.142) 13.458 7.728 ( 0.161 0.000 -4.026) 4.029 7.751 ( -2.716 0.000 3.530) 4.454 7.820 ( 5.682 0.000 6.649) 8.746 7.928 ( -3.552 0.000 -5.539) 6.580 7.999 ( 8.833 0.000 -0.276) 8.837 8.413 ( -12.663 0.000 5.567) 13.833 8.430 ( 4.811 0.000 9.808) 10.924 8.750 ( 3.936 0.000 0.756) 4.008 8.911 ( -12.867 0.000 -11.510) 17.264 9.051 ( 14.788 0.000 -0.536) 14.798 9.111 ( -10.540 0.000 -6.871) 12.581 9.237 ( -1.598 0.000 -2.054) 2.602 9.312 ( -1.040 0.000 -4.236) 4.362 9.502 ( 1.676 0.000 0.928) 1.916 9.706 ( 0.912 0.000 3.029) 3.164 9.736 ( 5.595 0.000 4.156) 6.969 9.759 ( -2.721 0.000 -8.368) 8.799 10.039 ( -1.953 0.000 6.980) 7.248 10.181 ( 1.531 0.000 1.126) 1.901 10.198 ( 3.119 0.000 3.125) 4.415 10.533 ( -1.681 0.000 -2.042) 2.645 10.626 ( -2.426 0.000 3.701) 4.425 10.702 ( -1.606 0.000 6.096) 6.304 10.861 ( 1.440 0.000 3.299) 3.599 10.915 ( -1.060 0.000 13.637) 13.678 11.372 ( 2.068 0.000 -2.491) 3.238 11.479 ( -0.065 0.000 -0.984) 0.986 11.635 ( 3.479 0.000 -2.146) 4.088 11.819 ( -12.658 0.000 -6.859) 14.397 11.908 ( -0.391 0.000 -0.022) 0.392 12.022 ( -0.913 0.000 -0.041) 0.914 12.353 ( 8.525 0.000 -0.933) 8.575 12.429 ( -5.237 0.000 -0.433) 5.255 12.515 ( 3.369 0.000 -3.840) 5.108 12.584 ( -2.430 0.000 -3.519) 4.276 12.801 ( 2.723 0.000 -0.133) 2.726 12.973 ( -7.967 0.000 -2.948) 8.495 13.165 ( 2.341 0.000 5.945) 6.389 13.238 ( 1.985 0.000 3.072) 3.658 13.359 ( -4.266 0.000 4.497) 6.199 13.479 ( 4.849 0.000 3.312) 5.872 13.566 ( 2.157 0.000 -0.263) 2.173 13.703 ( -1.636 0.000 -0.549) 1.726 14.055 ( 6.614 0.000 3.583) 7.522 14.315 ( 0.280 0.000 1.043) 1.080 14.499 ( -1.334 0.000 1.062) 1.706 14.715 ( -4.253 0.000 -1.757) 4.602 14.966 ( -0.527 0.000 -6.185) 6.207 15.144 ( 4.723 0.000 -5.314) 7.109 15.297 ( -3.718 0.000 -1.456) 3.993 15.322 ( 0.586 0.000 0.025) 0.587 15.426 ( 4.818 0.000 4.794) 6.797 15.645 ( 4.463 0.000 -2.468) 5.100 15.774 ( -2.780 0.000 3.000) 4.090 16.112 ( 6.868 0.000 -7.817) 10.406 16.284 ( -3.549 0.000 -0.331) 3.564 16.610 ( -3.054 0.000 -0.355) 3.074 16.732 ( -6.755 0.000 -5.619) 8.787 16.851 ( -7.401 0.000 -4.731) 8.784 16.966 ( 11.452 0.000 12.059) 16.630 17.246 ( -1.246 0.000 0.556) 1.365 17.399 ( 7.233 0.000 5.379) 9.014 17.555 ( -0.716 0.000 -0.652) 0.968 17.667 ( -1.447 0.000 -3.053) 3.379 17.935 ( -2.461 0.000 -3.629) 4.385 18.039 ( 2.502 0.000 2.824) 3.773 18.241 ( -0.191 0.000 2.741) 2.747 18.272 ( -11.903 0.000 -13.152) 17.739 18.544 ( -1.232 0.000 -4.440) 4.608 18.800 ( 5.915 0.000 2.216) 6.317 18.873 ( 9.866 0.000 16.317) 19.068 19.047 ( -5.104 0.000 -2.941) 5.890 19.155 ( -3.639 0.000 -7.038) 7.923 19.255 ( -3.984 0.000 -7.013) 8.066 19.540 ( 2.972 0.000 8.536) 9.038 19.595 ( -0.447 0.000 -2.763) 2.799 19.663 ( 19.550 0.000 20.205) 28.115 19.842 ( -3.561 0.000 1.119) 3.733 19.895 ( 5.332 0.000 8.931) 10.401 19.938 ( 10.085 0.000 4.809) 11.173 19.955 ( -5.407 0.000 0.205) 5.410 20.229 ( -11.592 0.000 -4.805) 12.548 20.754 ( 3.751 0.000 -1.732) 4.132 21.004 ( -1.747 0.000 -7.220) 7.429 21.365 ( -14.769 0.000 -11.777) 18.889 21.495 ( 9.734 0.000 13.402) 16.564 22.087 ( 1.570 0.000 -0.102) 1.573 22.126 ( 2.359 0.000 3.087) 3.885 22.254 ( 1.066 0.000 3.695) 3.845 22.364 ( -2.022 0.000 -1.863) 2.750 22.408 ( 0.369 0.000 -0.926) 0.997 22.544 ( -1.072 0.000 -1.870) 2.155 22.743 ( 0.330 0.000 3.429) 3.445 22.880 ( -16.743 0.000 -15.897) 23.088 23.595 ( -24.283 0.000 -23.537) 33.818 23.715 ( 18.426 0.000 19.055) 26.507 24.751 ( -5.675 0.000 -7.741) 9.598 24.951 ( 1.241 0.000 1.476) 1.928 25.109 ( -3.057 0.000 -2.294) 3.822 25.122 ( 20.821 0.000 22.453) 30.621 25.451 ( 3.350 0.000 2.382) 4.110 25.753 ( -6.052 0.000 4.410) 7.488 26.581 ( 7.418 0.000 -3.658) 8.271 26.738 ( -11.209 0.000 -4.808) 12.197 26.799 ( -1.474 0.000 5.684) 5.872 26.816 ( -11.007 0.000 -6.231) 12.649 27.122 ( 5.303 0.000 -2.285) 5.774 27.406 ( 3.734 0.000 1.840) 4.163 27.621 ( 0.142 0.000 -6.375) 6.377 27.810 ( -4.035 0.000 -0.607) 4.081 27.847 ( -3.065 0.000 -3.785) 4.870 28.100 ( -1.629 0.000 0.866) 1.845 28.146 ( 0.957 0.000 3.528) 3.655 28.358 ( -0.774 0.000 -1.219) 1.444 28.379 ( -2.279 0.000 -1.779) 2.891 28.542 ( 12.898 0.000 6.736) 14.551 28.791 ( -1.183 0.000 -2.012) 2.334 28.960 ( -4.285 0.000 -5.131) 6.685 28.999 ( 6.304 0.000 6.734) 9.224 29.064 ( -1.102 0.000 -2.891) 3.094 29.554 ( -3.433 0.000 -1.961) 3.954 29.630 ( 42.690 0.000 0.045) 42.690 29.862 ( -6.872 0.000 -5.772) 8.974 29.891 ( 6.829 0.000 1.586) 7.011 29.951 ( 47.814 0.000 3.962) 47.978 30.244 ( -12.511 0.000 -5.970) 13.863 30.374 ( -13.283 0.000 -13.782) 19.141 30.894 ( 8.816 0.000 8.260) 12.081 31.352 ( 14.423 0.000 9.210) 17.113 31.572 ( -13.480 0.000 -9.754) 16.639 31.803 ( 7.798 0.000 6.927) 10.430 31.869 ( -0.750 0.000 0.036) 0.751 32.123 ( -7.288 0.000 -5.870) 9.357 32.124 ( 2.794 0.000 9.912) 10.298 32.432 ( 3.022 0.000 7.880) 8.440 32.705 ( -1.770 0.000 2.242) 2.857 33.151 ( -1.551 0.000 -1.083) 1.892 33.158 ( -1.018 0.000 -2.334) 2.546 33.255 ( -2.778 0.000 -5.661) 6.306 33.431 ( -2.211 0.000 3.402) 4.057 33.599 ( -2.763 0.000 -0.442) 2.798 33.863 ( 10.818 0.000 6.697) 12.723 34.437 ( -69.069 0.000 -5.852) 69.316 38.636 ( 2.327 0.000 1.023) 2.542 38.709 ( 1.160 0.000 -6.140) 6.249 38.716 ( -4.587 0.000 0.876) 4.670 39.008 ( 9.822 0.000 3.461) 10.414 39.435 ( -0.307 0.000 -3.273) 3.287 39.684 ( -2.367 0.000 -4.402) 4.998 39.903 ( -17.735 0.000 5.939) 18.703 40.086 ( 5.116 0.000 1.041) 5.220 41.590 ( 0.602 0.000 3.540) 3.591 41.752 ( -3.174 0.000 4.922) 5.857 41.817 ( -1.207 0.000 0.008) 1.207 42.150 ( 34.466 0.000 -3.395) 34.633 42.549 ( 1.690 0.000 -0.709) 1.833 42.662 ( -1.308 0.000 -2.066) 2.445 43.957 ( -1.023 0.000 -0.418) 1.105 43.974 ( -0.831 0.000 -0.807) 1.159 ======================= Grid point 64 (22/84) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 8.037 0.000 32.867) 33.835 1.537 ( 13.208 0.000 30.106) 32.876 1.983 ( 3.282 0.000 3.651) 4.909 2.159 ( -15.757 0.000 -23.483) 28.280 2.383 ( 13.503 0.000 38.679) 40.968 2.473 ( -0.307 0.000 5.019) 5.028 2.788 ( 5.533 0.000 12.164) 13.363 2.975 ( -10.178 0.000 -4.152) 10.992 3.083 ( -0.977 0.000 2.777) 2.944 3.307 ( -2.983 0.000 4.540) 5.432 3.315 ( 3.744 0.000 1.811) 4.159 3.412 ( -5.903 0.000 -0.752) 5.951 3.489 ( -2.078 0.000 1.532) 2.581 3.552 ( -1.849 0.000 -6.502) 6.759 3.796 ( 0.970 0.000 -8.200) 8.257 3.984 ( 4.010 0.000 -4.488) 6.019 4.090 ( 5.489 0.000 -4.833) 7.314 4.265 ( -0.744 0.000 1.811) 1.958 4.324 ( -4.076 0.000 -7.411) 8.458 4.363 ( 3.828 0.000 4.720) 6.077 4.390 ( -4.936 0.000 5.846) 7.651 4.591 ( -1.406 0.000 -11.593) 11.678 4.649 ( 10.664 0.000 -2.661) 10.991 4.827 ( -6.957 0.000 -7.952) 10.566 4.923 ( -4.604 0.000 -0.642) 4.649 5.139 ( 2.701 0.000 -9.946) 10.306 5.213 ( -0.186 0.000 -0.545) 0.576 5.240 ( 2.173 0.000 -0.944) 2.369 5.524 ( 4.407 0.000 1.597) 4.687 5.719 ( 8.536 0.000 -1.089) 8.605 5.734 ( 6.767 0.000 -4.229) 7.980 5.963 ( 3.841 0.000 4.455) 5.882 6.068 ( 1.551 0.000 3.564) 3.887 6.083 ( -13.284 0.000 -6.755) 14.903 6.222 ( 13.653 0.000 2.020) 13.802 6.260 ( -1.597 0.000 -1.948) 2.519 6.453 ( -1.125 0.000 -2.502) 2.744 6.508 ( 6.802 0.000 -1.797) 7.035 6.529 ( -10.683 0.000 -0.585) 10.699 6.800 ( 8.304 0.000 6.556) 10.580 6.824 ( -17.314 0.000 -14.001) 22.267 7.054 ( 6.082 0.000 2.035) 6.414 7.071 ( -5.485 0.000 1.714) 5.747 7.247 ( 10.148 0.000 11.152) 15.078 7.312 ( -5.615 0.000 -8.776) 10.419 7.571 ( -3.686 0.000 -14.036) 14.512 7.733 ( -6.158 0.000 4.267) 7.492 7.848 ( -5.933 0.000 2.100) 6.293 7.910 ( -9.751 0.000 -0.083) 9.751 8.159 ( 5.014 0.000 1.133) 5.141 8.307 ( -3.165 0.000 6.797) 7.498 8.541 ( -1.444 0.000 0.013) 1.444 8.716 ( 1.475 0.000 1.750) 2.288 8.718 ( -1.927 0.000 -7.233) 7.485 8.931 ( -6.896 0.000 -1.465) 7.050 9.164 ( -1.961 0.000 0.134) 1.966 9.214 ( 0.319 0.000 0.511) 0.602 9.314 ( 10.710 0.000 -7.342) 12.985 9.509 ( 2.032 0.000 0.011) 2.032 9.661 ( 0.223 0.000 -5.494) 5.499 9.819 ( 5.115 0.000 7.076) 8.731 9.849 ( 3.332 0.000 3.152) 4.586 10.044 ( -5.940 0.000 1.629) 6.159 10.188 ( -1.394 0.000 0.632) 1.530 10.282 ( 2.472 0.000 1.999) 3.179 10.447 ( -1.451 0.000 -7.412) 7.553 10.658 ( -1.664 0.000 5.071) 5.337 10.745 ( -3.394 0.000 7.993) 8.684 10.948 ( 2.748 0.000 4.371) 5.163 11.022 ( -3.386 0.000 8.452) 9.105 11.340 ( -6.508 0.000 1.327) 6.642 11.416 ( -5.666 0.000 -2.029) 6.018 11.581 ( -7.608 0.000 -4.491) 8.834 11.656 ( 2.123 0.000 1.166) 2.422 11.907 ( -0.808 0.000 -0.455) 0.928 11.993 ( -0.741 0.000 -1.738) 1.890 12.334 ( -3.486 0.000 -2.256) 4.152 12.474 ( 6.053 0.000 0.717) 6.095 12.485 ( -2.943 0.000 -5.828) 6.529 12.565 ( 6.966 0.000 -1.211) 7.070 12.838 ( -5.395 0.000 -1.432) 5.582 12.875 ( 4.081 0.000 2.513) 4.793 13.235 ( -0.706 0.000 3.503) 3.573 13.275 ( -0.513 0.000 0.620) 0.804 13.364 ( -3.871 0.000 5.880) 7.040 13.580 ( -1.663 0.000 -0.964) 1.922 13.630 ( 7.786 0.000 4.903) 9.201 13.655 ( 0.938 0.000 -3.139) 3.276 14.182 ( 4.094 0.000 4.886) 6.374 14.334 ( 0.045 0.000 -0.674) 0.676 14.501 ( 1.656 0.000 0.347) 1.692 14.603 ( -1.331 0.000 -4.989) 5.163 14.959 ( 0.653 0.000 2.401) 2.488 15.109 ( 0.965 0.000 -5.266) 5.354 15.255 ( -2.885 0.000 -3.636) 4.641 15.291 ( 0.089 0.000 2.388) 2.390 15.595 ( 7.601 0.000 2.059) 7.875 15.606 ( -1.747 0.000 -8.787) 8.959 15.731 ( -3.600 0.000 -1.756) 4.005 16.110 ( 4.447 0.000 -6.757) 8.090 16.328 ( 4.661 0.000 8.832) 9.987 16.504 ( -8.590 0.000 -8.586) 12.145 16.640 ( 2.792 0.000 4.978) 5.707 16.714 ( -1.802 0.000 -2.164) 2.816 17.202 ( -5.287 0.000 -1.492) 5.493 17.229 ( 5.804 0.000 7.669) 9.618 17.529 ( -1.302 0.000 -0.447) 1.376 17.604 ( 7.135 0.000 9.411) 11.810 17.644 ( 4.034 0.000 -1.589) 4.336 17.845 ( -8.370 0.000 -11.913) 14.560 18.039 ( 3.368 0.000 3.269) 4.694 18.076 ( 2.205 0.000 -1.296) 2.558 18.343 ( 5.968 0.000 5.620) 8.198 18.500 ( 0.013 0.000 -3.423) 3.423 18.826 ( -9.950 0.000 -6.422) 11.843 18.954 ( 8.001 0.000 3.869) 8.887 19.087 ( -4.985 0.000 -5.536) 7.449 19.087 ( -0.805 0.000 -1.249) 1.486 19.314 ( 13.331 0.000 13.618) 19.057 19.490 ( -6.286 0.000 -9.490) 11.383 19.645 ( 1.108 0.000 7.917) 7.994 19.775 ( -4.926 0.000 1.291) 5.093 19.873 ( 3.385 0.000 3.259) 4.699 19.902 ( -5.147 0.000 1.873) 5.477 19.944 ( -13.151 0.000 -9.733) 16.361 20.096 ( 6.587 0.000 8.029) 10.386 20.533 ( 25.029 0.000 22.756) 33.827 20.734 ( -7.363 0.000 -11.281) 13.471 20.906 ( 0.248 0.000 -3.624) 3.632 20.950 ( -10.485 0.000 -11.595) 15.633 21.868 ( 13.232 0.000 15.365) 20.278 22.024 ( -7.955 0.000 -9.836) 12.650 22.234 ( 3.796 0.000 4.721) 6.058 22.260 ( -4.958 0.000 -3.465) 6.049 22.341 ( 3.242 0.000 7.546) 8.213 22.442 ( 4.051 0.000 2.223) 4.621 22.443 ( -5.575 0.000 -5.009) 7.495 22.546 ( -6.914 0.000 -8.661) 11.082 22.866 ( 8.166 0.000 9.770) 12.733 23.097 ( -8.103 0.000 -11.959) 14.445 24.199 ( 15.717 0.000 17.632) 23.620 24.472 ( -12.112 0.000 -15.934) 20.015 24.991 ( 0.500 0.000 2.787) 2.832 25.024 ( -3.627 0.000 -2.384) 4.340 25.460 ( 5.024 0.000 0.996) 5.122 25.539 ( 2.982 0.000 1.173) 3.205 26.007 ( 9.929 0.000 20.504) 22.782 26.384 ( -18.243 0.000 -18.421) 25.926 26.480 ( -9.673 0.000 -3.963) 10.453 26.717 ( 7.916 0.000 0.124) 7.917 26.931 ( 3.297 0.000 6.890) 7.638 27.199 ( 4.088 0.000 -0.858) 4.177 27.470 ( 3.017 0.000 -1.029) 3.188 27.536 ( -0.256 0.000 -8.047) 8.052 27.692 ( -4.688 0.000 -1.601) 4.954 27.816 ( 3.419 0.000 0.895) 3.534 28.108 ( -1.300 0.000 2.626) 2.930 28.193 ( 0.752 0.000 2.539) 2.648 28.302 ( -3.173 0.000 -2.722) 4.181 28.352 ( 1.217 0.000 0.663) 1.386 28.801 ( 4.838 0.000 4.336) 6.497 28.808 ( -5.836 0.000 -4.572) 7.413 28.821 ( 7.497 0.000 6.062) 9.641 28.980 ( -2.718 0.000 -8.616) 9.035 29.226 ( 9.236 0.000 11.855) 15.028 29.341 ( -13.806 0.000 -12.284) 18.480 29.529 ( -22.485 0.000 -11.557) 25.281 29.795 ( 4.954 0.000 -0.863) 5.029 29.894 ( -1.300 0.000 5.626) 5.774 29.995 ( -7.427 0.000 -4.753) 8.817 30.082 ( -5.290 0.000 -8.272) 9.819 30.814 ( 50.497 0.000 -20.861) 54.637 31.214 ( 15.091 0.000 12.851) 19.822 31.225 ( -14.501 0.000 -11.828) 18.713 31.701 ( 13.685 0.000 9.620) 16.728 31.734 ( -9.042 0.000 -9.211) 12.907 31.956 ( -5.817 0.000 -4.064) 7.096 32.008 ( 9.399 0.000 4.442) 10.396 32.352 ( 6.505 0.000 12.581) 14.163 32.467 ( -1.532 0.000 -1.837) 2.392 32.806 ( 4.290 0.000 10.205) 11.070 32.999 ( -8.470 0.000 -6.977) 10.974 33.090 ( -5.087 0.000 0.055) 5.087 33.216 ( 1.736 0.000 -3.240) 3.676 33.422 ( -3.433 0.000 2.608) 4.311 33.560 ( -8.896 0.000 8.765) 12.489 33.830 ( -19.828 0.000 2.142) 19.943 34.217 ( 18.137 0.000 13.940) 22.875 38.622 ( -2.486 0.000 -3.592) 4.368 38.648 ( -4.451 0.000 -0.980) 4.558 38.687 ( 1.205 0.000 2.891) 3.132 39.136 ( 6.509 0.000 -0.680) 6.545 39.424 ( 1.043 0.000 0.479) 1.148 39.588 ( -2.495 0.000 -4.376) 5.037 39.810 ( -8.710 0.000 5.350) 10.222 40.185 ( 5.423 0.000 1.730) 5.692 41.668 ( 2.451 0.000 4.705) 5.305 41.752 ( -4.225 0.000 3.433) 5.444 41.791 ( -1.048 0.000 -1.243) 1.626 42.372 ( 15.612 0.000 -11.739) 19.533 42.585 ( 3.030 0.000 0.822) 3.139 42.617 ( 0.819 0.000 -4.117) 4.197 43.800 ( -21.137 0.000 7.573) 22.453 43.880 ( -7.914 0.000 -1.538) 8.063 ======================= Grid point 65 (23/84) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -22.424 0.000 -32.845) 39.769 1.881 ( 3.979 0.000 4.240) 5.815 2.003 ( 14.843 0.000 8.185) 16.950 2.115 ( 2.168 0.000 17.910) 18.041 2.613 ( 4.442 0.000 11.679) 12.495 2.704 ( -3.733 0.000 5.716) 6.827 2.778 ( -10.070 0.000 3.541) 10.675 2.982 ( 3.660 0.000 0.070) 3.661 3.022 ( -9.488 0.000 4.595) 10.542 3.379 ( -1.122 0.000 -2.081) 2.365 3.410 ( -1.386 0.000 8.991) 9.098 3.436 ( -2.494 0.000 0.056) 2.494 3.437 ( 4.150 0.000 6.435) 7.657 3.573 ( 4.638 0.000 1.365) 4.835 3.668 ( 4.256 0.000 -12.745) 13.437 3.888 ( -2.983 0.000 -12.478) 12.830 4.125 ( 1.189 0.000 0.655) 1.358 4.232 ( 1.209 0.000 -4.681) 4.834 4.309 ( -5.019 0.000 -2.847) 5.770 4.327 ( 1.442 0.000 -8.447) 8.570 4.374 ( 3.338 0.000 8.650) 9.272 4.537 ( -4.706 0.000 -16.991) 17.631 4.617 ( 3.073 0.000 4.319) 5.301 4.834 ( -4.041 0.000 2.587) 4.798 4.990 ( 17.005 0.000 15.998) 23.347 5.106 ( 1.495 0.000 -0.975) 1.785 5.222 ( -0.023 0.000 -0.176) 0.178 5.301 ( 5.853 0.000 -0.367) 5.865 5.628 ( 8.278 0.000 3.250) 8.893 5.712 ( -10.493 0.000 -11.825) 15.809 5.732 ( 10.289 0.000 -9.997) 14.346 5.920 ( -4.004 0.000 -7.255) 8.287 6.006 ( 10.787 0.000 7.755) 13.285 6.083 ( -12.004 0.000 -10.023) 15.638 6.202 ( 6.972 0.000 7.179) 10.008 6.262 ( -1.845 0.000 -4.250) 4.633 6.328 ( 1.646 0.000 -0.436) 1.702 6.557 ( 4.577 0.000 0.236) 4.583 6.596 ( -12.305 0.000 9.061) 15.281 6.677 ( 6.253 0.000 -0.281) 6.260 6.874 ( -4.112 0.000 2.922) 5.044 6.972 ( -10.778 0.000 2.172) 10.995 7.065 ( -10.526 0.000 -10.925) 15.171 7.310 ( 0.718 0.000 -4.459) 4.517 7.411 ( 14.629 0.000 4.575) 15.327 7.443 ( -5.303 0.000 5.981) 7.994 7.666 ( -8.191 0.000 -2.241) 8.492 7.776 ( 8.868 0.000 6.880) 11.224 7.814 ( -4.507 0.000 1.379) 4.713 8.067 ( -6.534 0.000 -6.894) 9.499 8.384 ( -5.870 0.000 7.161) 9.259 8.597 ( -0.503 0.000 3.500) 3.536 8.617 ( 0.184 0.000 -4.614) 4.618 8.814 ( 3.026 0.000 5.888) 6.620 8.826 ( -3.797 0.000 -1.583) 4.113 9.060 ( -4.753 0.000 -4.493) 6.540 9.272 ( 3.558 0.000 4.399) 5.658 9.368 ( 6.980 0.000 -4.391) 8.247 9.573 ( -2.178 0.000 -6.984) 7.315 9.593 ( 6.731 0.000 1.193) 6.836 9.889 ( -10.798 0.000 -4.459) 11.682 9.920 ( 3.504 0.000 -0.424) 3.529 9.997 ( 5.533 0.000 5.692) 7.938 10.176 ( -1.202 0.000 1.097) 1.627 10.323 ( -4.165 0.000 -5.281) 6.726 10.356 ( 3.190 0.000 5.037) 5.962 10.690 ( -0.582 0.000 2.387) 2.457 10.807 ( -4.000 0.000 9.510) 10.317 10.998 ( 1.229 0.000 -2.158) 2.483 11.024 ( -4.216 0.000 1.459) 4.461 11.253 ( -6.397 0.000 2.449) 6.850 11.282 ( -6.328 0.000 -4.033) 7.503 11.455 ( -4.752 0.000 -3.597) 5.960 11.754 ( 4.189 0.000 5.894) 7.231 11.851 ( -4.383 0.000 -1.460) 4.620 11.976 ( 0.419 0.000 -0.331) 0.534 12.300 ( 0.802 0.000 0.080) 0.806 12.361 ( -2.620 0.000 -6.963) 7.439 12.520 ( 0.768 0.000 -0.546) 0.942 12.665 ( 7.242 0.000 -0.382) 7.252 12.792 ( -0.877 0.000 0.536) 1.028 12.947 ( -0.238 0.000 3.326) 3.335 13.253 ( -0.850 0.000 2.184) 2.343 13.255 ( -0.576 0.000 -1.629) 1.727 13.370 ( -3.991 0.000 3.967) 5.627 13.483 ( -5.700 0.000 -3.739) 6.817 13.648 ( 2.206 0.000 -3.712) 4.318 13.811 ( 8.142 0.000 4.375) 9.243 14.279 ( -0.790 0.000 -4.944) 5.007 14.321 ( 5.827 0.000 6.338) 8.610 14.581 ( 5.626 0.000 3.949) 6.873 14.589 ( 2.204 0.000 -0.733) 2.323 15.020 ( 1.283 0.000 4.529) 4.707 15.038 ( -2.280 0.000 -6.515) 6.902 15.179 ( -1.682 0.000 -2.432) 2.957 15.312 ( -0.570 0.000 0.195) 0.603 15.406 ( -9.502 0.000 -5.167) 10.816 15.663 ( 4.214 0.000 -3.127) 5.247 15.672 ( -0.611 0.000 -1.666) 1.775 16.049 ( -2.315 0.000 -6.241) 6.656 16.394 ( 1.165 0.000 -0.239) 1.189 16.585 ( 7.678 0.000 12.128) 14.354 16.710 ( 1.382 0.000 -0.000) 1.382 16.823 ( 10.152 0.000 9.055) 13.603 17.062 ( -5.474 0.000 -5.861) 8.019 17.322 ( 1.093 0.000 0.485) 1.196 17.487 ( -2.897 0.000 -1.599) 3.309 17.645 ( 0.738 0.000 -3.022) 3.111 17.705 ( 1.462 0.000 -2.061) 2.527 17.827 ( 5.512 0.000 8.078) 9.779 18.137 ( 2.029 0.000 1.976) 2.832 18.231 ( 13.821 0.000 8.737) 16.351 18.426 ( -1.141 0.000 -5.039) 5.166 18.490 ( 5.637 0.000 3.895) 6.851 18.639 ( -7.179 0.000 -3.286) 7.896 18.981 ( -2.160 0.000 0.174) 2.167 19.110 ( 0.105 0.000 -1.472) 1.476 19.120 ( 2.104 0.000 3.376) 3.978 19.175 ( -7.104 0.000 -11.157) 13.227 19.518 ( 2.832 0.000 3.018) 4.138 19.600 ( -16.279 0.000 -6.963) 17.706 19.782 ( -1.052 0.000 -0.176) 1.067 19.793 ( 2.269 0.000 7.000) 7.359 19.813 ( -6.593 0.000 -3.497) 7.463 19.979 ( 5.791 0.000 3.678) 6.860 20.201 ( -18.528 0.000 -23.238) 29.720 20.283 ( 5.138 0.000 9.201) 10.538 20.683 ( -3.676 0.000 -7.543) 8.391 20.902 ( 1.980 0.000 0.192) 1.989 21.237 ( 17.321 0.000 16.345) 23.815 21.659 ( -14.270 0.000 -12.925) 19.253 22.115 ( 4.402 0.000 2.277) 4.956 22.172 ( -3.079 0.000 -2.777) 4.147 22.324 ( 2.290 0.000 3.823) 4.457 22.362 ( -1.150 0.000 0.354) 1.203 22.414 ( -1.068 0.000 -5.089) 5.200 22.535 ( 4.026 0.000 2.625) 4.806 22.643 ( 14.979 0.000 18.391) 23.719 22.982 ( 1.703 0.000 -4.476) 4.789 23.325 ( 23.853 0.000 26.179) 35.416 24.010 ( -18.071 0.000 -22.167) 28.600 24.594 ( 11.455 0.000 12.626) 17.048 24.959 ( -1.942 0.000 -1.255) 2.312 25.027 ( -0.859 0.000 3.078) 3.196 25.383 ( -19.526 0.000 -18.323) 26.776 25.492 ( 3.997 0.000 -2.644) 4.793 25.962 ( -5.126 0.000 -8.737) 10.130 26.073 ( -13.907 0.000 0.937) 13.939 26.613 ( 10.213 0.000 16.218) 19.166 26.851 ( 6.117 0.000 2.999) 6.812 26.985 ( -1.637 0.000 -1.553) 2.257 27.128 ( -3.251 0.000 -9.061) 9.627 27.468 ( 0.856 0.000 -2.690) 2.823 27.515 ( 4.552 0.000 0.934) 4.647 27.721 ( 3.442 0.000 4.762) 5.875 27.911 ( 4.100 0.000 1.669) 4.427 28.114 ( -1.070 0.000 1.929) 2.206 28.217 ( 0.808 0.000 -2.060) 2.213 28.255 ( -1.186 0.000 2.310) 2.596 28.402 ( 2.199 0.000 1.864) 2.882 28.677 ( -12.212 0.000 -16.164) 20.259 28.714 ( -2.955 0.000 -2.250) 3.714 28.949 ( 6.683 0.000 6.878) 9.590 28.956 ( 2.849 0.000 2.136) 3.561 29.029 ( -11.071 0.000 -8.686) 14.072 29.060 ( -15.364 0.000 -9.682) 18.160 29.493 ( 5.110 0.000 7.791) 9.317 29.850 ( 5.609 0.000 2.484) 6.134 29.880 ( -1.818 0.000 -3.759) 4.176 29.992 ( -1.022 0.000 -1.930) 2.184 30.065 ( 6.690 0.000 14.131) 15.634 30.878 ( -11.341 0.000 -11.389) 16.073 30.929 ( 2.432 0.000 -19.193) 19.346 31.480 ( -5.859 0.000 -9.907) 11.510 31.608 ( 15.559 0.000 12.696) 20.081 31.852 ( -2.786 0.000 -3.422) 4.413 31.949 ( 7.919 0.000 4.337) 9.029 32.174 ( 7.329 0.000 2.316) 7.686 32.447 ( 6.897 0.000 -6.065) 9.184 32.509 ( -2.838 0.000 1.312) 3.127 32.833 ( -1.797 0.000 -2.108) 2.770 33.004 ( 2.453 0.000 9.089) 9.414 33.029 ( -3.061 0.000 2.705) 4.085 33.192 ( 0.142 0.000 -2.704) 2.708 33.410 ( -2.476 0.000 2.706) 3.667 33.550 ( -8.991 0.000 8.718) 12.524 33.691 ( 0.195 0.000 -4.680) 4.684 34.675 ( 16.008 0.000 15.891) 22.556 38.562 ( -1.546 0.000 -1.300) 2.020 38.565 ( -4.489 0.000 -1.482) 4.728 38.743 ( 0.703 0.000 3.648) 3.716 39.185 ( 6.423 0.000 -6.832) 9.377 39.479 ( 0.483 0.000 6.416) 6.434 39.513 ( -1.180 0.000 -3.175) 3.387 39.748 ( -7.343 0.000 3.554) 8.158 40.278 ( 4.153 0.000 1.510) 4.419 41.707 ( -4.560 0.000 -0.152) 4.563 41.759 ( 2.078 0.000 3.775) 4.309 41.762 ( -0.095 0.000 -1.820) 1.823 42.410 ( 8.983 0.000 -9.233) 12.881 42.588 ( 5.115 0.000 -7.738) 9.276 42.652 ( 3.421 0.000 1.872) 3.900 43.600 ( -20.954 0.000 10.141) 23.280 43.699 ( -11.669 0.000 -3.133) 12.082 ======================= Grid point 66 (24/84) ======================= q-point: ( 0.38 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 5.222 0.000 -11.035) 12.209 1.899 ( 3.925 0.000 -4.846) 6.236 2.270 ( 16.862 0.000 -1.279) 16.910 2.342 ( -3.544 0.000 4.391) 5.643 2.535 ( -8.894 0.000 4.638) 10.030 2.760 ( 1.562 0.000 -0.036) 1.563 2.805 ( -3.143 0.000 4.276) 5.306 2.968 ( -1.802 0.000 -2.269) 2.898 3.006 ( -3.327 0.000 8.450) 9.082 3.086 ( -21.751 0.000 -5.610) 22.463 3.453 ( -1.071 0.000 2.206) 2.452 3.496 ( -0.692 0.000 -0.967) 1.190 3.497 ( 3.245 0.000 -4.155) 5.272 3.623 ( 2.683 0.000 -1.564) 3.105 3.674 ( 8.767 0.000 -4.353) 9.788 3.692 ( -2.310 0.000 -6.329) 6.737 4.121 ( -1.696 0.000 -3.653) 4.027 4.138 ( 4.200 0.000 -14.165) 14.775 4.282 ( 0.378 0.000 7.426) 7.436 4.310 ( 4.567 0.000 -1.265) 4.739 4.456 ( 3.609 0.000 2.121) 4.186 4.489 ( -0.952 0.000 6.723) 6.790 4.676 ( 1.890 0.000 0.659) 2.002 4.800 ( -3.977 0.000 2.824) 4.877 5.078 ( -4.059 0.000 -4.638) 6.163 5.196 ( 0.815 0.000 0.428) 0.921 5.303 ( 5.899 0.000 -5.321) 7.944 5.541 ( 10.763 0.000 21.684) 24.208 5.557 ( 2.179 0.000 -3.543) 4.159 5.709 ( -6.246 0.000 -8.047) 10.186 5.715 ( 4.124 0.000 -9.230) 10.109 5.894 ( 14.984 0.000 3.876) 15.478 5.990 ( 7.033 0.000 3.088) 7.681 6.154 ( -2.512 0.000 -8.272) 8.645 6.197 ( 5.723 0.000 0.423) 5.739 6.323 ( 0.571 0.000 -2.711) 2.771 6.400 ( 5.795 0.000 1.342) 5.949 6.450 ( -18.344 0.000 -7.984) 20.006 6.549 ( -12.654 0.000 11.215) 16.909 6.641 ( 2.069 0.000 3.952) 4.461 6.682 ( -1.439 0.000 -1.537) 2.106 6.826 ( -15.045 0.000 5.817) 16.131 7.120 ( 6.365 0.000 2.693) 6.911 7.303 ( 1.380 0.000 3.204) 3.489 7.376 ( -7.181 0.000 3.421) 7.955 7.551 ( -1.033 0.000 -0.833) 1.326 7.630 ( -2.886 0.000 -0.304) 2.902 7.822 ( 3.560 0.000 0.804) 3.650 7.856 ( -1.685 0.000 -5.801) 6.041 8.087 ( 8.114 0.000 3.851) 8.982 8.330 ( -6.645 0.000 3.046) 7.310 8.502 ( -6.995 0.000 -2.645) 7.478 8.586 ( 2.145 0.000 -2.120) 3.016 8.822 ( -1.667 0.000 6.673) 6.879 8.889 ( -3.617 0.000 2.547) 4.424 9.003 ( 3.411 0.000 -2.482) 4.219 9.410 ( 1.372 0.000 4.504) 4.708 9.452 ( -0.570 0.000 -1.415) 1.526 9.453 ( 7.675 0.000 2.647) 8.119 9.626 ( -7.458 0.000 -1.744) 7.659 9.774 ( 5.506 0.000 1.109) 5.617 9.940 ( 5.083 0.000 -5.092) 7.195 10.065 ( -3.820 0.000 3.055) 4.891 10.174 ( -3.331 0.000 1.920) 3.844 10.219 ( -1.751 0.000 -2.838) 3.335 10.480 ( 3.000 0.000 3.699) 4.763 10.702 ( 0.488 0.000 -0.381) 0.619 10.802 ( -5.458 0.000 -2.007) 5.815 10.961 ( -3.032 0.000 -1.544) 3.403 10.968 ( 0.677 0.000 -0.853) 1.089 11.161 ( -1.865 0.000 -4.855) 5.201 11.223 ( -3.762 0.000 2.967) 4.791 11.335 ( -2.095 0.000 -6.470) 6.801 11.764 ( -2.206 0.000 -2.821) 3.581 11.879 ( -0.442 0.000 5.610) 5.627 11.991 ( 0.199 0.000 1.373) 1.388 12.274 ( 1.119 0.000 -2.453) 2.697 12.349 ( 1.223 0.000 4.596) 4.756 12.515 ( -0.104 0.000 -0.148) 0.181 12.738 ( 3.748 0.000 -2.841) 4.703 12.803 ( 0.581 0.000 2.198) 2.274 12.944 ( -3.855 0.000 1.854) 4.278 13.224 ( 0.980 0.000 -4.035) 4.152 13.281 ( 1.744 0.000 1.624) 2.382 13.348 ( -5.214 0.000 -4.274) 6.742 13.354 ( -3.176 0.000 2.517) 4.052 13.640 ( 2.297 0.000 -1.700) 2.857 13.931 ( 2.672 0.000 0.402) 2.702 14.236 ( 3.302 0.000 -4.708) 5.751 14.461 ( 3.884 0.000 0.863) 3.979 14.608 ( 1.119 0.000 0.253) 1.147 14.768 ( 6.110 0.000 7.607) 9.757 14.867 ( -3.961 0.000 -5.342) 6.650 15.043 ( -0.593 0.000 -3.646) 3.694 15.200 ( 0.175 0.000 8.299) 8.301 15.212 ( -4.204 0.000 -3.557) 5.507 15.374 ( -3.186 0.000 9.469) 9.991 15.664 ( 1.482 0.000 -1.624) 2.199 15.713 ( 5.802 0.000 0.883) 5.868 15.929 ( -3.465 0.000 -3.704) 5.072 16.432 ( 1.582 0.000 -0.755) 1.753 16.720 ( -0.492 0.000 -0.205) 0.533 16.739 ( -1.023 0.000 2.080) 2.318 16.966 ( 2.607 0.000 -4.639) 5.322 17.043 ( 4.468 0.000 1.769) 4.806 17.317 ( 0.705 0.000 -0.954) 1.186 17.428 ( -1.564 0.000 -1.746) 2.345 17.595 ( -0.158 0.000 -1.135) 1.146 17.744 ( 2.123 0.000 0.702) 2.236 18.114 ( 13.673 0.000 10.973) 17.532 18.122 ( -1.880 0.000 -2.359) 3.017 18.380 ( -5.696 0.000 -4.396) 7.195 18.402 ( 2.489 0.000 -0.913) 2.651 18.541 ( -0.948 0.000 -4.359) 4.461 18.549 ( -2.586 0.000 1.651) 3.069 18.983 ( 11.538 0.000 14.316) 18.387 19.044 ( -0.638 0.000 2.288) 2.375 19.142 ( -11.799 0.000 -13.067) 17.606 19.180 ( -0.373 0.000 2.220) 2.251 19.343 ( 1.304 0.000 1.559) 2.033 19.456 ( -11.676 0.000 -13.660) 17.970 19.555 ( -0.105 0.000 0.697) 0.705 19.838 ( -0.186 0.000 -0.181) 0.259 19.842 ( -1.031 0.000 0.923) 1.384 19.915 ( 0.184 0.000 -0.625) 0.652 20.075 ( 2.743 0.000 -0.208) 2.751 20.436 ( -1.354 0.000 -4.564) 4.760 20.545 ( 0.229 0.000 5.060) 5.065 20.941 ( 1.071 0.000 1.863) 2.149 21.407 ( -3.906 0.000 -4.482) 5.945 21.517 ( 3.241 0.000 3.316) 4.637 22.120 ( -0.560 0.000 -0.820) 0.993 22.154 ( 1.520 0.000 -0.307) 1.551 22.334 ( -0.135 0.000 -3.682) 3.684 22.376 ( -0.243 0.000 1.449) 1.469 22.403 ( 1.089 0.000 2.317) 2.560 22.598 ( 2.214 0.000 0.443) 2.258 22.974 ( 2.968 0.000 -3.175) 4.347 23.182 ( 19.451 0.000 19.879) 27.812 23.430 ( -19.104 0.000 -21.033) 28.414 24.029 ( 17.015 0.000 16.370) 23.612 24.708 ( -19.107 0.000 -17.640) 26.005 24.801 ( 2.610 0.000 2.183) 3.402 24.935 ( -0.378 0.000 -0.129) 0.400 25.037 ( -2.056 0.000 1.943) 2.829 25.557 ( 7.176 0.000 0.452) 7.190 25.896 ( -12.125 0.000 4.749) 13.022 25.944 ( 1.581 0.000 2.631) 3.070 26.862 ( -6.135 0.000 -7.775) 9.904 26.922 ( 0.552 0.000 -1.363) 1.471 26.925 ( 5.072 0.000 14.392) 15.260 27.017 ( 1.180 0.000 -2.999) 3.223 27.449 ( 1.285 0.000 -2.566) 2.870 27.596 ( 3.117 0.000 0.928) 3.252 27.818 ( 1.565 0.000 3.495) 3.829 27.943 ( 0.458 0.000 -0.899) 1.009 28.128 ( -0.653 0.000 -0.171) 0.675 28.198 ( 1.012 0.000 -2.649) 2.836 28.287 ( -0.804 0.000 3.658) 3.745 28.385 ( -1.181 0.000 -3.893) 4.068 28.455 ( -0.591 0.000 -1.700) 1.800 28.709 ( -1.008 0.000 1.620) 1.908 28.766 ( -3.639 0.000 1.016) 3.779 28.938 ( -0.895 0.000 -0.883) 1.257 28.983 ( 0.544 0.000 -0.602) 0.812 29.093 ( 1.791 0.000 1.878) 2.595 29.556 ( -0.235 0.000 0.476) 0.531 29.840 ( 0.955 0.000 -1.974) 2.193 29.969 ( -0.378 0.000 -0.133) 0.401 29.978 ( 4.568 0.000 1.885) 4.942 30.330 ( -1.730 0.000 2.797) 3.289 30.619 ( -7.948 0.000 -6.655) 10.366 30.724 ( 5.043 0.000 3.072) 5.905 31.342 ( -0.935 0.000 -4.439) 4.537 31.777 ( -0.668 0.000 -4.265) 4.317 31.897 ( 4.241 0.000 1.209) 4.410 32.083 ( 10.267 0.000 2.825) 10.649 32.271 ( 0.317 0.000 0.004) 0.317 32.332 ( -7.397 0.000 -5.624) 9.292 32.507 ( 9.437 0.000 -4.765) 10.571 32.854 ( 0.780 0.000 -0.795) 1.114 32.959 ( -2.393 0.000 -3.432) 4.184 33.169 ( 0.237 0.000 -0.537) 0.587 33.183 ( -0.318 0.000 12.316) 12.320 33.415 ( -1.694 0.000 2.702) 3.189 33.480 ( -5.971 0.000 -1.313) 6.113 33.689 ( 2.178 0.000 -0.181) 2.186 34.974 ( 1.681 0.000 7.443) 7.630 38.490 ( -2.164 0.000 -2.243) 3.117 38.543 ( -0.419 0.000 0.455) 0.619 38.793 ( -0.832 0.000 4.385) 4.464 39.159 ( 4.972 0.000 -10.412) 11.538 39.476 ( 0.517 0.000 -1.933) 2.001 39.585 ( 0.435 0.000 8.825) 8.836 39.685 ( -6.573 0.000 2.929) 7.196 40.329 ( 1.111 0.000 -0.123) 1.118 41.632 ( -1.945 0.000 -2.950) 3.534 41.748 ( 1.274 0.000 -1.732) 2.150 41.807 ( -0.046 0.000 1.100) 1.101 42.437 ( 6.894 0.000 -4.385) 8.170 42.568 ( 8.998 0.000 -12.428) 15.343 42.711 ( 1.559 0.000 0.738) 1.725 43.440 ( -18.371 0.000 10.402) 21.112 43.522 ( -6.264 0.000 -1.325) 6.402 ======================= Grid point 67 (25/84) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 20.757 0.000 15.900) 26.147 1.904 ( 3.017 0.000 -4.088) 5.081 2.035 ( -20.903 0.000 -10.471) 23.378 2.362 ( 6.415 0.000 -12.503) 14.053 2.613 ( -25.915 0.000 -3.211) 26.114 2.632 ( -1.781 0.000 -1.908) 2.610 2.710 ( -4.178 0.000 2.701) 4.975 2.792 ( 2.950 0.000 -1.351) 3.244 2.959 ( 0.731 0.000 2.269) 2.384 3.216 ( 8.465 0.000 13.668) 16.077 3.386 ( -0.205 0.000 -12.155) 12.156 3.400 ( -5.689 0.000 -1.626) 5.917 3.502 ( 1.243 0.000 1.329) 1.819 3.624 ( -0.304 0.000 -1.543) 1.573 3.721 ( 12.881 0.000 -4.787) 13.742 3.750 ( 6.897 0.000 -4.214) 8.082 4.045 ( 6.450 0.000 -13.148) 14.644 4.053 ( 0.488 0.000 -4.841) 4.865 4.380 ( -4.204 0.000 7.845) 8.900 4.429 ( 1.426 0.000 11.248) 11.338 4.511 ( -4.724 0.000 3.493) 5.875 4.546 ( 2.280 0.000 0.165) 2.286 4.730 ( 2.237 0.000 5.693) 6.117 4.805 ( -1.338 0.000 5.707) 5.862 5.015 ( 5.395 0.000 -1.915) 5.725 5.199 ( -8.249 0.000 -9.201) 12.357 5.234 ( 1.272 0.000 1.358) 1.860 5.492 ( -4.017 0.000 -3.417) 5.274 5.610 ( 4.440 0.000 0.207) 4.445 5.702 ( 8.476 0.000 -5.187) 9.937 5.718 ( -8.522 0.000 -5.614) 10.205 6.012 ( -2.167 0.000 -0.294) 2.186 6.065 ( 2.014 0.000 1.746) 2.666 6.197 ( 4.512 0.000 5.117) 6.822 6.255 ( 8.911 0.000 0.738) 8.942 6.269 ( -0.475 0.000 -8.302) 8.316 6.433 ( -7.680 0.000 0.764) 7.718 6.458 ( 17.477 0.000 8.881) 19.604 6.491 ( -11.806 0.000 11.655) 16.590 6.721 ( -2.023 0.000 7.603) 7.868 6.723 ( 3.571 0.000 2.842) 4.564 6.734 ( -1.344 0.000 4.918) 5.098 7.207 ( 1.890 0.000 0.484) 1.951 7.308 ( -4.794 0.000 0.260) 4.801 7.320 ( -5.176 0.000 1.717) 5.453 7.488 ( -0.509 0.000 -5.951) 5.973 7.553 ( -2.185 0.000 -2.124) 3.047 7.806 ( -2.549 0.000 -3.646) 4.449 7.867 ( 6.969 0.000 -0.278) 6.974 7.964 ( -10.539 0.000 -12.455) 16.315 8.307 ( -1.988 0.000 3.371) 3.913 8.512 ( 2.026 0.000 1.904) 2.780 8.659 ( 5.974 0.000 3.178) 6.767 8.839 ( -2.435 0.000 -0.911) 2.599 8.911 ( -3.051 0.000 12.191) 12.567 9.021 ( 1.571 0.000 -0.942) 1.832 9.316 ( -4.709 0.000 -1.588) 4.969 9.532 ( -2.547 0.000 3.206) 4.094 9.641 ( 6.653 0.000 10.910) 12.778 9.646 ( 8.130 0.000 5.406) 9.763 9.881 ( 0.901 0.000 2.526) 2.682 9.939 ( 1.438 0.000 -6.611) 6.765 10.016 ( -4.120 0.000 3.427) 5.359 10.132 ( -1.647 0.000 1.350) 2.130 10.211 ( 2.984 0.000 -0.140) 2.987 10.441 ( -7.363 0.000 -4.748) 8.761 10.644 ( -4.683 0.000 -8.359) 9.582 10.678 ( -1.147 0.000 -3.087) 3.293 10.928 ( -0.008 0.000 -0.836) 0.836 11.000 ( 2.037 0.000 -0.100) 2.040 11.123 ( 4.425 0.000 -3.841) 5.859 11.147 ( -2.667 0.000 -6.512) 7.037 11.314 ( 3.974 0.000 1.205) 4.153 11.689 ( -2.909 0.000 -5.058) 5.835 11.885 ( -0.770 0.000 0.931) 1.209 12.004 ( -0.511 0.000 0.702) 0.868 12.363 ( 4.286 0.000 7.372) 8.527 12.427 ( -0.664 0.000 6.456) 6.490 12.524 ( 0.782 0.000 1.054) 1.313 12.705 ( -1.117 0.000 -3.874) 4.031 12.848 ( 0.648 0.000 1.658) 1.780 12.907 ( -1.974 0.000 -0.053) 1.975 13.184 ( 1.605 0.000 -5.126) 5.372 13.236 ( -3.050 0.000 -2.805) 4.144 13.337 ( -2.689 0.000 1.250) 2.966 13.351 ( 5.346 0.000 0.417) 5.362 13.680 ( 2.995 0.000 1.429) 3.319 13.896 ( -3.191 0.000 -4.311) 5.363 14.244 ( 4.174 0.000 -3.028) 5.156 14.397 ( -6.100 0.000 -6.700) 9.061 14.638 ( 0.660 0.000 1.666) 1.792 14.691 ( -3.475 0.000 -2.000) 4.009 14.977 ( -0.992 0.000 -2.923) 3.086 15.092 ( 4.309 0.000 11.224) 12.023 15.163 ( 4.115 0.000 0.123) 4.117 15.302 ( -2.193 0.000 8.673) 8.946 15.505 ( 0.609 0.000 16.008) 16.020 15.661 ( 1.533 0.000 -2.128) 2.623 15.809 ( -0.896 0.000 3.300) 3.419 15.931 ( 8.762 0.000 1.431) 8.879 16.389 ( -1.574 0.000 -5.144) 5.379 16.601 ( -8.600 0.000 -9.640) 12.919 16.708 ( 0.641 0.000 -0.470) 0.794 16.955 ( -7.825 0.000 -8.818) 11.789 17.005 ( 5.083 0.000 0.324) 5.094 17.321 ( 0.008 0.000 -1.666) 1.666 17.419 ( 2.142 0.000 0.237) 2.155 17.649 ( 3.530 0.000 2.949) 4.600 17.747 ( -0.531 0.000 -0.872) 1.021 17.959 ( -13.859 0.000 -11.305) 17.885 18.089 ( 1.235 0.000 -2.174) 2.500 18.317 ( -4.802 0.000 -8.844) 10.064 18.442 ( 2.535 0.000 1.736) 3.073 18.607 ( 1.753 0.000 6.987) 7.204 18.661 ( -8.818 0.000 -2.889) 9.280 18.842 ( 10.825 0.000 5.263) 12.037 19.062 ( 3.776 0.000 5.008) 6.272 19.149 ( -3.653 0.000 -1.706) 4.032 19.219 ( -2.446 0.000 -4.857) 5.438 19.347 ( 8.382 0.000 8.449) 11.902 19.540 ( -1.513 0.000 -0.775) 1.700 19.634 ( 14.292 0.000 12.300) 18.856 19.781 ( -0.998 0.000 -2.310) 2.517 19.800 ( -3.515 0.000 -3.035) 4.644 20.041 ( -3.609 0.000 -5.566) 6.634 20.098 ( 12.060 0.000 14.368) 18.759 20.225 ( -5.049 0.000 -10.812) 11.933 20.722 ( 4.258 0.000 9.041) 9.993 20.960 ( -1.461 0.000 1.457) 2.063 21.413 ( -10.982 0.000 -10.764) 15.378 21.467 ( 10.626 0.000 7.110) 12.785 22.136 ( 2.036 0.000 1.619) 2.602 22.166 ( -0.002 0.000 -0.336) 0.336 22.298 ( 0.998 0.000 -2.622) 2.805 22.345 ( -3.666 0.000 -2.401) 4.382 22.461 ( 1.634 0.000 3.361) 3.737 22.590 ( -2.630 0.000 -2.854) 3.881 22.807 ( -19.090 0.000 -20.255) 27.834 22.984 ( 3.111 0.000 -2.318) 3.879 23.555 ( -25.889 0.000 -29.148) 38.985 23.840 ( 20.022 0.000 21.124) 29.105 24.717 ( -8.789 0.000 -7.231) 11.381 24.929 ( 1.729 0.000 1.096) 2.047 25.010 ( -2.350 0.000 -0.718) 2.457 25.090 ( 23.943 0.000 23.467) 33.526 25.682 ( 6.034 0.000 1.626) 6.250 25.879 ( -4.713 0.000 12.240) 13.116 26.019 ( 1.085 0.000 7.008) 7.092 26.632 ( -9.209 0.000 -10.114) 13.678 26.845 ( -1.115 0.000 -7.732) 7.812 27.112 ( -0.864 0.000 9.994) 10.031 27.112 ( 8.373 0.000 6.148) 10.387 27.462 ( 1.472 0.000 -0.092) 1.475 27.599 ( -1.741 0.000 -1.882) 2.564 27.805 ( -4.775 0.000 -1.931) 5.151 27.927 ( -0.058 0.000 -2.182) 2.183 28.078 ( -0.745 0.000 -2.274) 2.393 28.170 ( 0.067 0.000 -3.375) 3.376 28.309 ( -1.568 0.000 2.527) 2.974 28.409 ( -1.293 0.000 -2.660) 2.958 28.537 ( 12.791 0.000 10.565) 16.591 28.717 ( 2.048 0.000 5.279) 5.662 28.937 ( 6.191 0.000 9.533) 11.367 28.954 ( -2.353 0.000 -4.302) 4.903 29.001 ( 3.524 0.000 10.804) 11.364 29.037 ( -3.903 0.000 -3.251) 5.080 29.514 ( -3.898 0.000 -3.889) 5.506 29.854 ( 2.390 0.000 0.229) 2.401 29.967 ( -6.843 0.000 -15.706) 17.132 29.993 ( 2.094 0.000 2.811) 3.505 30.022 ( -8.731 0.000 -3.233) 9.310 30.678 ( 9.735 0.000 7.091) 12.044 31.126 ( 15.539 0.000 22.826) 27.613 31.322 ( 4.238 0.000 -4.405) 6.113 31.733 ( -9.539 0.000 -14.466) 17.328 31.751 ( 2.853 0.000 -1.123) 3.067 32.093 ( -8.199 0.000 -5.545) 9.899 32.276 ( 4.102 0.000 0.027) 4.102 32.348 ( 3.357 0.000 1.463) 3.662 32.580 ( 6.417 0.000 -3.036) 7.099 32.799 ( -0.936 0.000 -4.354) 4.453 32.857 ( -3.221 0.000 -6.590) 7.335 33.189 ( 1.726 0.000 0.508) 1.800 33.281 ( -1.644 0.000 1.752) 2.403 33.400 ( -7.520 0.000 9.961) 12.481 33.425 ( -2.222 0.000 3.602) 4.232 33.717 ( 1.617 0.000 -0.276) 1.640 34.867 ( -13.894 0.000 -8.857) 16.477 38.459 ( 1.332 0.000 -1.348) 1.896 38.557 ( 0.707 0.000 1.367) 1.539 38.823 ( -2.340 0.000 3.945) 4.587 39.079 ( 2.801 0.000 -11.366) 11.706 39.485 ( 2.354 0.000 0.058) 2.354 39.621 ( -3.424 0.000 -0.294) 3.437 39.710 ( -1.784 0.000 11.736) 11.871 40.299 ( -1.710 0.000 -3.647) 4.028 41.606 ( 2.290 0.000 -1.316) 2.641 41.756 ( 1.781 0.000 -0.615) 1.884 41.785 ( -2.478 0.000 -1.356) 2.825 42.505 ( 6.405 0.000 -0.772) 6.452 42.534 ( 11.624 0.000 -17.880) 21.327 42.702 ( -1.690 0.000 -1.457) 2.231 43.322 ( -14.928 0.000 10.101) 18.024 43.519 ( 3.959 0.000 2.818) 4.860 ======================= Grid point 68 (26/84) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -28.439 0.000 -6.667) 29.210 1.647 ( -2.491 0.000 -1.446) 2.880 1.829 ( -2.198 0.000 -9.522) 9.772 2.289 ( -3.689 0.000 6.431) 7.414 2.324 ( 1.391 0.000 -1.299) 1.904 2.414 ( -10.699 0.000 -8.021) 13.372 2.846 ( 8.902 0.000 4.827) 10.126 2.876 ( 6.689 0.000 1.810) 6.929 2.957 ( -5.525 0.000 -2.565) 6.091 3.244 ( 2.812 0.000 -10.897) 11.254 3.348 ( -1.326 0.000 2.972) 3.255 3.410 ( -14.802 0.000 -4.181) 15.382 3.434 ( 1.983 0.000 3.386) 3.924 3.586 ( 0.614 0.000 -1.805) 1.907 3.747 ( 2.522 0.000 -4.440) 5.106 3.866 ( 9.267 0.000 -4.913) 10.489 4.001 ( 4.693 0.000 -8.002) 9.277 4.017 ( 8.002 0.000 -7.847) 11.208 4.380 ( -0.882 0.000 6.272) 6.334 4.482 ( -7.113 0.000 5.905) 9.245 4.521 ( -0.401 0.000 -0.442) 0.597 4.590 ( 2.113 0.000 9.710) 9.938 4.900 ( 0.119 0.000 6.526) 6.527 4.921 ( 6.255 0.000 10.382) 12.121 4.999 ( -7.282 0.000 0.359) 7.290 5.116 ( 5.615 0.000 -0.740) 5.664 5.283 ( 1.917 0.000 4.607) 4.990 5.368 ( -7.431 0.000 -5.212) 9.077 5.590 ( 1.684 0.000 -4.642) 4.938 5.629 ( 5.732 0.000 -7.394) 9.356 5.844 ( 9.480 0.000 2.799) 9.885 5.859 ( -6.729 0.000 -8.372) 10.741 6.094 ( -5.896 0.000 2.633) 6.457 6.180 ( 3.131 0.000 -10.209) 10.678 6.204 ( -1.020 0.000 -5.368) 5.464 6.310 ( -8.342 0.000 7.983) 11.547 6.364 ( -7.286 0.000 8.940) 11.533 6.604 ( 7.237 0.000 11.124) 13.271 6.751 ( 6.618 0.000 5.781) 8.788 6.803 ( 2.870 0.000 6.711) 7.299 6.863 ( 6.552 0.000 3.055) 7.230 6.890 ( 6.276 0.000 8.400) 10.486 7.072 ( -4.830 0.000 -12.298) 13.212 7.192 ( -4.787 0.000 -7.907) 9.243 7.241 ( -5.812 0.000 -2.452) 6.308 7.517 ( 2.808 0.000 4.268) 5.109 7.587 ( 11.443 0.000 1.169) 11.503 7.654 ( -7.229 0.000 -8.111) 10.865 7.748 ( 0.478 0.000 -0.678) 0.830 8.010 ( 9.922 0.000 -1.974) 10.116 8.328 ( -2.768 0.000 4.665) 5.425 8.499 ( -1.067 0.000 -2.793) 2.990 8.784 ( -3.731 0.000 -1.796) 4.141 8.789 ( 4.568 0.000 2.490) 5.202 9.012 ( -2.389 0.000 9.453) 9.750 9.053 ( 3.261 0.000 1.896) 3.772 9.290 ( -3.035 0.000 7.950) 8.509 9.591 ( 0.979 0.000 3.842) 3.964 9.728 ( -4.434 0.000 0.240) 4.441 9.771 ( -6.663 0.000 -4.612) 8.104 9.836 ( -5.732 0.000 0.188) 5.735 9.865 ( 4.283 0.000 3.244) 5.373 10.069 ( -1.558 0.000 5.178) 5.407 10.150 ( 0.255 0.000 2.256) 2.270 10.275 ( -2.084 0.000 -5.117) 5.524 10.334 ( 9.756 0.000 2.373) 10.040 10.493 ( -1.437 0.000 -5.527) 5.711 10.627 ( -0.269 0.000 -1.280) 1.307 10.869 ( -4.720 0.000 -4.423) 6.468 10.968 ( -2.422 0.000 -4.723) 5.308 11.068 ( 4.221 0.000 -5.923) 7.273 11.193 ( 9.058 0.000 -2.300) 9.345 11.445 ( 7.331 0.000 5.260) 9.023 11.570 ( -1.107 0.000 -6.256) 6.354 11.919 ( 1.514 0.000 2.218) 2.685 11.990 ( -0.594 0.000 -1.596) 1.703 12.465 ( -4.473 0.000 6.669) 8.030 12.511 ( 3.136 0.000 5.258) 6.123 12.549 ( -0.907 0.000 0.126) 0.916 12.645 ( -0.132 0.000 -1.607) 1.612 12.843 ( -2.555 0.000 0.219) 2.564 12.896 ( 0.245 0.000 -0.294) 0.382 13.152 ( 2.434 0.000 -4.471) 5.091 13.189 ( -0.374 0.000 -1.195) 1.252 13.304 ( -2.585 0.000 0.102) 2.587 13.436 ( 6.436 0.000 -1.311) 6.569 13.745 ( 1.455 0.000 3.048) 3.378 13.761 ( -6.258 0.000 -5.167) 8.115 14.216 ( -5.862 0.000 -6.244) 8.565 14.287 ( 4.227 0.000 -0.242) 4.233 14.625 ( -4.643 0.000 0.189) 4.647 14.655 ( -0.838 0.000 1.534) 1.748 14.962 ( 0.282 0.000 1.490) 1.516 15.122 ( 2.411 0.000 -3.757) 4.464 15.326 ( -0.562 0.000 11.590) 11.603 15.350 ( -3.391 0.000 6.267) 7.125 15.659 ( 1.299 0.000 0.143) 1.307 15.756 ( -5.914 0.000 -5.220) 7.888 15.798 ( 6.756 0.000 16.735) 18.047 16.100 ( 6.617 0.000 0.979) 6.689 16.330 ( -8.269 0.000 -11.538) 14.195 16.357 ( 7.054 0.000 0.667) 7.085 16.707 ( -8.959 0.000 -6.957) 11.342 16.734 ( 1.377 0.000 1.769) 2.242 17.111 ( 4.981 0.000 4.317) 6.591 17.233 ( -4.528 0.000 -7.557) 8.809 17.496 ( 3.911 0.000 3.989) 5.587 17.650 ( -5.823 0.000 -9.325) 10.994 17.706 ( -4.366 0.000 -1.919) 4.769 17.778 ( 5.203 0.000 3.172) 6.094 18.062 ( -1.111 0.000 -2.602) 2.830 18.100 ( -2.649 0.000 -6.235) 6.775 18.514 ( -5.989 0.000 -2.237) 6.393 18.541 ( 4.335 0.000 4.727) 6.414 18.724 ( 2.429 0.000 6.607) 7.039 18.982 ( 4.781 0.000 -0.470) 4.804 19.057 ( -2.942 0.000 -2.252) 3.705 19.078 ( -1.182 0.000 -1.409) 1.840 19.423 ( 9.131 0.000 9.981) 13.528 19.481 ( -6.138 0.000 -4.085) 7.374 19.592 ( 12.136 0.000 9.832) 15.619 19.614 ( -9.710 0.000 -9.877) 13.851 19.737 ( 0.050 0.000 -0.554) 0.557 19.874 ( -3.398 0.000 -6.910) 7.700 19.895 ( 5.603 0.000 6.803) 8.813 20.072 ( -2.776 0.000 -7.981) 8.450 20.610 ( 19.797 0.000 22.065) 29.644 20.802 ( -9.620 0.000 -7.324) 12.090 20.950 ( -0.822 0.000 1.351) 1.581 21.006 ( -10.629 0.000 -9.285) 14.113 21.865 ( 19.105 0.000 17.320) 25.787 22.012 ( -15.628 0.000 -15.225) 21.819 22.200 ( 2.506 0.000 1.953) 3.177 22.240 ( -1.811 0.000 -3.370) 3.826 22.331 ( 5.818 0.000 2.378) 6.285 22.345 ( -8.602 0.000 -10.196) 13.339 22.531 ( -4.847 0.000 -2.620) 5.510 22.536 ( 2.843 0.000 3.959) 4.874 22.981 ( -12.431 0.000 -12.245) 17.449 23.023 ( 5.375 0.000 0.764) 5.429 24.362 ( 16.154 0.000 16.546) 23.124 24.403 ( -16.403 0.000 -12.058) 20.358 24.966 ( 2.402 0.000 1.447) 2.804 24.967 ( -1.284 0.000 -1.465) 1.948 25.537 ( 6.580 0.000 6.683) 9.378 25.714 ( -2.987 0.000 -4.525) 5.422 25.983 ( -4.251 0.000 10.986) 11.780 26.218 ( 10.469 0.000 12.575) 16.362 26.411 ( -4.180 0.000 -3.825) 5.666 26.744 ( 1.406 0.000 -7.924) 8.048 27.113 ( -10.022 0.000 2.026) 10.225 27.311 ( 1.242 0.000 4.854) 5.010 27.494 ( 6.564 0.000 3.052) 7.239 27.549 ( -0.882 0.000 -0.928) 1.281 27.739 ( -2.458 0.000 1.655) 2.963 27.865 ( -2.831 0.000 -4.445) 5.270 28.060 ( 0.084 0.000 -0.614) 0.620 28.118 ( -0.238 0.000 -4.448) 4.454 28.317 ( -0.314 0.000 1.923) 1.949 28.354 ( -1.031 0.000 -1.839) 2.108 28.734 ( 4.639 0.000 4.875) 6.729 28.823 ( -3.612 0.000 -5.159) 6.298 28.961 ( -5.340 0.000 -2.129) 5.748 29.026 ( 4.554 0.000 5.214) 6.923 29.130 ( 20.412 0.000 16.130) 26.015 29.269 ( -12.022 0.000 -14.509) 18.842 29.292 ( 5.676 0.000 16.894) 17.822 29.718 ( 0.708 0.000 -8.395) 8.424 29.923 ( 3.639 0.000 4.227) 5.578 29.943 ( -4.627 0.000 -0.085) 4.628 30.115 ( 4.674 0.000 9.489) 10.577 30.951 ( 16.373 0.000 -2.281) 16.531 31.263 ( 8.448 0.000 -14.861) 17.094 31.368 ( -12.513 0.000 -15.817) 20.169 31.652 ( 11.259 0.000 24.218) 26.708 31.855 ( 5.770 0.000 7.151) 9.189 31.880 ( -10.044 0.000 -8.397) 13.092 32.175 ( -7.398 0.000 -10.338) 12.713 32.332 ( -4.503 0.000 -3.668) 5.807 32.587 ( 1.667 0.000 -6.889) 7.088 32.717 ( -3.426 0.000 -6.266) 7.142 32.829 ( 7.491 0.000 1.291) 7.602 33.210 ( -1.019 0.000 -4.675) 4.784 33.219 ( 2.492 0.000 -0.446) 2.532 33.443 ( -2.699 0.000 5.110) 5.779 33.541 ( -11.581 0.000 33.751) 35.683 33.727 ( 0.839 0.000 -0.511) 0.983 34.445 ( -17.212 0.000 -17.558) 24.588 38.489 ( 3.019 0.000 0.375) 3.042 38.588 ( 1.927 0.000 -0.329) 1.955 38.822 ( -3.203 0.000 2.583) 4.115 38.968 ( 0.524 0.000 -9.945) 9.958 39.548 ( 3.935 0.000 2.615) 4.725 39.567 ( -2.440 0.000 -1.240) 2.737 39.837 ( -1.600 0.000 12.832) 12.931 40.208 ( -1.982 0.000 -5.926) 6.249 41.648 ( 2.177 0.000 1.708) 2.766 41.711 ( -4.110 0.000 -2.140) 4.634 41.780 ( 1.380 0.000 0.586) 1.500 42.441 ( 14.563 0.000 -29.358) 32.771 42.592 ( 3.516 0.000 2.511) 4.321 42.646 ( -2.512 0.000 -1.949) 3.179 43.256 ( -11.009 0.000 10.030) 14.893 43.661 ( 8.859 0.000 3.025) 9.361 ======================= Grid point 69 (27/84) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -35.748 0.000 4.518) 36.032 1.208 ( -35.274 0.000 -5.803) 35.748 1.590 ( -19.420 0.000 -15.636) 24.933 2.041 ( -20.895 0.000 -7.874) 22.329 2.358 ( 4.692 0.000 -0.773) 4.755 2.534 ( 6.209 0.000 11.111) 12.728 2.652 ( -13.425 0.000 -6.826) 15.061 3.003 ( 5.066 0.000 -1.605) 5.314 3.106 ( 8.241 0.000 11.065) 13.796 3.191 ( 1.609 0.000 -5.945) 6.159 3.226 ( -1.454 0.000 1.050) 1.794 3.444 ( 2.459 0.000 1.885) 3.098 3.452 ( 2.889 0.000 7.688) 8.213 3.647 ( 8.208 0.000 0.216) 8.211 3.706 ( 1.088 0.000 -8.154) 8.226 3.868 ( 4.551 0.000 -6.489) 7.926 4.012 ( 2.405 0.000 -6.174) 6.626 4.022 ( 9.643 0.000 -5.448) 11.076 4.458 ( -6.000 0.000 6.131) 8.579 4.546 ( 5.163 0.000 10.816) 11.985 4.577 ( 0.665 0.000 6.008) 6.045 4.725 ( 6.945 0.000 1.853) 7.188 4.841 ( -3.474 0.000 -2.618) 4.350 5.050 ( 0.311 0.000 5.482) 5.491 5.081 ( 1.409 0.000 5.675) 5.847 5.125 ( 2.795 0.000 -5.648) 6.302 5.212 ( -2.624 0.000 -9.101) 9.472 5.394 ( -0.839 0.000 10.916) 10.948 5.499 ( -4.094 0.000 -10.040) 10.843 5.634 ( 9.345 0.000 -7.491) 11.977 5.687 ( -5.867 0.000 -6.311) 8.617 5.937 ( -8.095 0.000 6.502) 10.383 5.959 ( -4.086 0.000 -8.389) 9.331 6.057 ( -4.420 0.000 -9.873) 10.818 6.146 ( 3.216 0.000 -2.673) 4.182 6.309 ( -9.005 0.000 4.894) 10.249 6.391 ( 7.261 0.000 -4.580) 8.585 6.717 ( -6.462 0.000 5.706) 8.621 6.750 ( -3.663 0.000 -9.864) 10.522 6.896 ( -3.495 0.000 -6.343) 7.242 6.962 ( 5.372 0.000 -3.668) 6.505 6.981 ( 6.167 0.000 19.925) 20.857 7.101 ( 13.017 0.000 14.093) 19.185 7.161 ( 6.066 0.000 -5.404) 8.124 7.204 ( -3.023 0.000 8.419) 8.945 7.595 ( 1.108 0.000 4.440) 4.576 7.598 ( 4.042 0.000 1.295) 4.244 7.742 ( 4.537 0.000 -2.044) 4.976 7.862 ( 11.675 0.000 3.279) 12.127 8.062 ( 2.905 0.000 -5.358) 6.095 8.366 ( -3.153 0.000 10.273) 10.746 8.468 ( -0.672 0.000 -1.720) 1.847 8.699 ( 0.553 0.000 -4.180) 4.217 8.783 ( -2.725 0.000 -5.896) 6.495 9.068 ( 1.426 0.000 1.488) 2.061 9.174 ( 5.407 0.000 6.514) 8.465 9.396 ( -6.383 0.000 14.402) 15.753 9.534 ( -7.676 0.000 -8.458) 11.422 9.597 ( -7.401 0.000 -1.352) 7.524 9.674 ( 2.402 0.000 -0.026) 2.402 9.773 ( -4.115 0.000 1.830) 4.504 9.876 ( -0.081 0.000 -5.087) 5.087 10.008 ( -7.155 0.000 0.170) 7.157 10.188 ( -1.819 0.000 2.562) 3.142 10.250 ( -0.291 0.000 -2.144) 2.163 10.476 ( 5.160 0.000 1.922) 5.506 10.517 ( 5.008 0.000 2.373) 5.542 10.654 ( 1.760 0.000 1.709) 2.454 10.745 ( -4.374 0.000 -1.135) 4.518 10.852 ( -2.726 0.000 -4.408) 5.183 11.128 ( 10.015 0.000 -0.915) 10.057 11.307 ( 9.581 0.000 -1.500) 9.698 11.545 ( 5.348 0.000 -3.427) 6.352 11.626 ( 6.681 0.000 6.848) 9.567 11.951 ( -0.729 0.000 1.206) 1.410 11.951 ( -0.340 0.000 -3.257) 3.275 12.461 ( -3.993 0.000 3.941) 5.610 12.470 ( -4.447 0.000 -3.404) 5.600 12.601 ( 1.630 0.000 3.555) 3.911 12.636 ( -2.981 0.000 -2.025) 3.604 12.850 ( 3.034 0.000 4.341) 5.296 12.875 ( -1.813 0.000 -1.685) 2.475 13.148 ( 2.409 0.000 -2.162) 3.237 13.170 ( -1.281 0.000 -1.077) 1.674 13.284 ( -0.376 0.000 1.070) 1.134 13.495 ( 5.010 0.000 -2.645) 5.665 13.602 ( -7.330 0.000 -3.822) 8.267 13.782 ( -2.601 0.000 3.372) 4.259 14.085 ( -1.073 0.000 -6.602) 6.689 14.335 ( 0.614 0.000 0.930) 1.114 14.563 ( -4.686 0.000 0.819) 4.757 14.666 ( 0.518 0.000 1.702) 1.779 15.027 ( 2.466 0.000 5.662) 6.176 15.107 ( 4.125 0.000 -5.578) 6.937 15.360 ( -3.190 0.000 1.116) 3.380 15.436 ( -4.238 0.000 11.731) 12.473 15.521 ( -8.877 0.000 -10.130) 13.469 15.675 ( 1.721 0.000 -1.877) 2.547 15.922 ( -7.887 0.000 -2.370) 8.235 16.136 ( 4.758 0.000 -5.818) 7.516 16.216 ( 3.873 0.000 3.805) 5.429 16.588 ( -1.107 0.000 0.695) 1.307 16.605 ( 13.523 0.000 8.251) 15.842 16.794 ( 1.021 0.000 5.024) 5.126 17.011 ( -8.573 0.000 -11.327) 14.205 17.221 ( 2.211 0.000 3.600) 4.224 17.426 ( -5.397 0.000 -8.581) 10.137 17.577 ( -0.165 0.000 2.468) 2.473 17.680 ( 0.402 0.000 0.932) 1.015 17.927 ( 4.076 0.000 3.258) 5.218 18.083 ( 3.277 0.000 -0.944) 3.410 18.143 ( 11.661 0.000 12.182) 16.863 18.408 ( -4.776 0.000 -3.106) 5.697 18.606 ( -0.633 0.000 3.704) 3.758 18.849 ( -5.402 0.000 -7.401) 9.163 18.884 ( 4.363 0.000 1.156) 4.514 19.063 ( -7.993 0.000 -5.466) 9.684 19.141 ( -5.202 0.000 -4.598) 6.943 19.198 ( 7.803 0.000 5.789) 9.716 19.470 ( -2.552 0.000 -5.464) 6.031 19.567 ( 3.046 0.000 2.626) 4.021 19.751 ( 1.064 0.000 2.113) 2.366 19.789 ( -2.732 0.000 -4.128) 4.950 19.819 ( 1.132 0.000 7.312) 7.399 19.860 ( -9.009 0.000 -15.063) 17.552 20.108 ( 11.065 0.000 8.682) 14.065 20.232 ( -22.039 0.000 -17.985) 28.446 20.845 ( -1.990 0.000 -1.134) 2.290 21.038 ( 3.503 0.000 4.201) 5.470 21.212 ( 14.140 0.000 17.731) 22.679 21.543 ( -13.387 0.000 -16.626) 21.346 22.153 ( -3.393 0.000 -3.445) 4.835 22.155 ( 1.227 0.000 1.518) 1.952 22.231 ( -0.951 0.000 -1.682) 1.933 22.333 ( 5.710 0.000 5.869) 8.189 22.461 ( -2.653 0.000 -0.481) 2.696 22.521 ( 6.593 0.000 6.196) 9.047 22.686 ( 10.998 0.000 9.613) 14.607 22.792 ( -5.343 0.000 -1.694) 5.605 23.300 ( 21.313 0.000 18.019) 27.909 23.962 ( -19.862 0.000 -15.528) 25.212 24.701 ( 8.507 0.000 8.676) 12.151 24.939 ( -0.472 0.000 -0.959) 1.069 25.040 ( 4.038 0.000 2.500) 4.749 25.364 ( -18.840 0.000 -22.942) 29.686 25.545 ( -4.914 0.000 -1.580) 5.162 26.075 ( -4.565 0.000 17.947) 18.518 26.453 ( 5.809 0.000 2.718) 6.413 26.487 ( 9.323 0.000 0.348) 9.330 26.732 ( 5.945 0.000 0.168) 5.948 26.921 ( -12.472 0.000 -2.514) 12.723 27.275 ( -5.072 0.000 -0.299) 5.081 27.510 ( -4.087 0.000 -3.052) 5.101 27.674 ( 7.190 0.000 1.135) 7.279 27.752 ( -1.669 0.000 4.448) 4.751 27.804 ( 1.266 0.000 0.510) 1.365 28.067 ( 0.341 0.000 -3.302) 3.320 28.073 ( 0.938 0.000 2.256) 2.443 28.350 ( 0.824 0.000 1.038) 1.326 28.351 ( 1.103 0.000 1.879) 2.179 28.660 ( -11.099 0.000 -14.010) 17.874 28.812 ( -3.068 0.000 -0.420) 3.097 28.889 ( 6.562 0.000 6.230) 9.049 29.007 ( -3.771 0.000 -7.806) 8.670 29.073 ( 1.298 0.000 -0.409) 1.361 29.482 ( 4.859 0.000 5.138) 7.072 29.677 ( 3.633 0.000 -6.888) 7.787 29.680 ( 16.989 0.000 16.106) 23.410 29.897 ( -2.188 0.000 1.129) 2.462 30.061 ( 6.480 0.000 6.138) 8.926 30.368 ( 6.337 0.000 16.383) 17.566 30.694 ( 7.886 0.000 -69.689) 70.134 31.022 ( -10.552 0.000 -10.630) 14.978 31.429 ( 10.304 0.000 12.722) 16.372 31.572 ( -13.558 0.000 -13.455) 19.101 31.881 ( -8.186 0.000 -13.702) 15.961 31.972 ( -0.360 0.000 9.236) 9.243 32.050 ( 7.042 0.000 7.653) 10.400 32.187 ( -9.596 0.000 -1.340) 9.689 32.479 ( -1.456 0.000 -9.261) 9.375 32.641 ( -0.379 0.000 0.847) 0.928 32.982 ( 9.621 0.000 1.503) 9.737 33.169 ( -0.219 0.000 -0.845) 0.873 33.259 ( 3.254 0.000 0.410) 3.280 33.463 ( -3.508 0.000 4.712) 5.874 33.684 ( 0.503 0.000 -2.673) 2.720 34.019 ( -11.873 0.000 -14.384) 18.651 34.080 ( -4.350 0.000 76.337) 76.461 38.542 ( 2.814 0.000 0.922) 2.962 38.568 ( 1.656 0.000 -9.169) 9.318 38.798 ( -3.458 0.000 1.586) 3.804 38.876 ( -1.184 0.000 -2.504) 2.770 39.521 ( -1.028 0.000 -2.071) 2.313 39.652 ( 4.331 0.000 3.524) 5.583 40.002 ( -0.414 0.000 17.719) 17.724 40.106 ( -1.289 0.000 -6.178) 6.311 41.625 ( -4.187 0.000 -1.345) 4.398 41.696 ( -0.173 0.000 3.465) 3.469 41.807 ( 0.477 0.000 1.313) 1.397 42.156 ( 8.987 0.000 -49.392) 50.203 42.590 ( -1.683 0.000 -2.005) 2.618 42.661 ( 1.461 0.000 2.529) 2.921 43.265 ( -6.543 0.000 13.862) 15.328 43.820 ( 8.466 0.000 1.310) 8.566 ======================= Grid point 70 (28/84) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( -45.091 0.000 -30.086) 54.207 0.737 ( -33.877 0.000 22.852) 40.864 1.067 ( -42.992 0.000 45.882) 62.876 1.918 ( -0.843 0.000 3.927) 4.017 2.413 ( 1.710 0.000 1.468) 2.254 2.510 ( -6.538 0.000 4.933) 8.190 2.674 ( -1.253 0.000 3.273) 3.505 2.991 ( 2.377 0.000 -2.863) 3.721 3.093 ( -1.136 0.000 -4.807) 4.940 3.179 ( -3.139 0.000 2.794) 4.202 3.392 ( 6.381 0.000 1.864) 6.648 3.520 ( 3.228 0.000 -0.679) 3.299 3.569 ( 1.080 0.000 2.889) 3.084 3.637 ( 6.053 0.000 -0.359) 6.063 3.786 ( 5.557 0.000 -1.543) 5.767 3.884 ( 6.548 0.000 -4.000) 7.673 4.010 ( 4.823 0.000 1.572) 5.073 4.130 ( 9.435 0.000 -4.731) 10.555 4.398 ( -9.564 0.000 -8.216) 12.609 4.489 ( -10.030 0.000 -5.960) 11.667 4.596 ( -4.040 0.000 0.490) 4.070 4.831 ( 9.122 0.000 -6.384) 11.134 4.911 ( -2.964 0.000 -10.117) 10.543 4.957 ( 4.499 0.000 -2.747) 5.272 5.096 ( 2.226 0.000 -3.554) 4.194 5.128 ( -1.145 0.000 1.652) 2.010 5.175 ( 3.784 0.000 8.468) 9.275 5.320 ( -2.510 0.000 -0.959) 2.687 5.467 ( -9.951 0.000 -0.211) 9.954 5.509 ( -1.255 0.000 8.136) 8.232 5.665 ( -10.720 0.000 -5.009) 11.832 5.825 ( 5.295 0.000 -3.754) 6.491 5.837 ( -8.662 0.000 -0.336) 8.669 5.900 ( 3.252 0.000 -5.646) 6.516 6.135 ( -0.234 0.000 -1.129) 1.153 6.239 ( 0.365 0.000 -2.382) 2.409 6.460 ( 2.958 0.000 3.099) 4.284 6.670 ( 1.176 0.000 -7.292) 7.387 6.697 ( -5.189 0.000 7.392) 9.031 6.773 ( -2.598 0.000 -3.573) 4.418 6.974 ( 3.124 0.000 -4.880) 5.794 7.134 ( 1.323 0.000 -4.578) 4.765 7.160 ( -6.288 0.000 1.879) 6.562 7.486 ( 8.944 0.000 6.837) 11.258 7.532 ( 21.680 0.000 21.316) 30.404 7.662 ( 2.262 0.000 3.661) 4.303 7.708 ( 3.733 0.000 3.080) 4.839 7.734 ( 2.250 0.000 -5.595) 6.031 8.004 ( -0.470 0.000 -5.904) 5.923 8.004 ( 3.479 0.000 -1.343) 3.729 8.354 ( -7.421 0.000 0.574) 7.443 8.453 ( -6.742 0.000 10.757) 12.695 8.676 ( 1.927 0.000 -2.950) 3.524 8.815 ( 16.145 0.000 -0.655) 16.158 9.145 ( 8.079 0.000 3.322) 8.735 9.237 ( -11.824 0.000 -6.674) 13.577 9.356 ( -9.315 0.000 -2.108) 9.550 9.365 ( 3.340 0.000 1.156) 3.534 9.461 ( -3.439 0.000 -3.987) 5.265 9.704 ( -2.805 0.000 -1.357) 3.116 9.723 ( -3.703 0.000 -0.339) 3.719 9.875 ( 2.756 0.000 -2.421) 3.668 9.973 ( -1.364 0.000 4.698) 4.892 10.141 ( 0.806 0.000 -3.402) 3.496 10.183 ( -3.852 0.000 -0.082) 3.852 10.549 ( -2.243 0.000 5.561) 5.997 10.626 ( 2.179 0.000 5.355) 5.781 10.654 ( -0.583 0.000 -2.477) 2.544 10.760 ( -0.900 0.000 9.017) 9.062 10.822 ( 1.329 0.000 -0.120) 1.334 11.322 ( 12.358 0.000 -0.375) 12.363 11.428 ( 7.450 0.000 -0.186) 7.453 11.597 ( 6.014 0.000 -3.120) 6.775 11.861 ( 13.201 0.000 13.053) 18.564 11.924 ( 0.250 0.000 0.122) 0.278 11.932 ( -2.357 0.000 0.150) 2.361 12.372 ( -2.827 0.000 -5.098) 5.830 12.462 ( -1.950 0.000 2.647) 3.288 12.539 ( -1.720 0.000 -3.212) 3.643 12.634 ( -0.959 0.000 0.244) 0.990 12.816 ( -1.820 0.000 -2.365) 2.984 13.012 ( 6.262 0.000 7.992) 10.154 13.105 ( -4.757 0.000 -2.271) 5.271 13.173 ( 2.221 0.000 1.259) 2.553 13.326 ( 1.318 0.000 3.711) 3.938 13.471 ( -5.059 0.000 -1.423) 5.255 13.531 ( 3.858 0.000 -1.373) 4.095 13.728 ( -6.763 0.000 0.147) 6.764 14.001 ( -1.747 0.000 -3.965) 4.333 14.323 ( -2.403 0.000 0.621) 2.482 14.514 ( -3.219 0.000 1.201) 3.436 14.716 ( 1.204 0.000 2.921) 3.160 15.110 ( 5.306 0.000 -4.903) 7.225 15.133 ( -1.910 0.000 -4.671) 5.046 15.202 ( 0.484 0.000 -1.032) 1.140 15.418 ( -1.982 0.000 0.482) 2.040 15.440 ( -10.349 0.000 1.954) 10.532 15.639 ( 1.051 0.000 -6.206) 6.294 15.776 ( -3.698 0.000 0.440) 3.724 16.120 ( 5.607 0.000 -8.204) 9.937 16.313 ( 0.486 0.000 2.783) 2.825 16.680 ( 4.791 0.000 6.483) 8.061 16.760 ( -7.162 0.000 -6.220) 9.486 16.836 ( 0.360 0.000 -0.191) 0.408 16.854 ( 3.178 0.000 6.895) 7.592 17.257 ( -0.532 0.000 0.620) 0.817 17.300 ( -2.507 0.000 -0.382) 2.536 17.562 ( -1.156 0.000 -0.180) 1.170 17.714 ( 0.107 0.000 1.060) 1.065 18.081 ( 2.060 0.000 4.083) 4.573 18.090 ( -1.835 0.000 -6.645) 6.894 18.258 ( -6.339 0.000 -2.699) 6.890 18.379 ( 1.937 0.000 1.414) 2.398 18.510 ( -9.920 0.000 -9.858) 13.985 18.749 ( 0.724 0.000 -1.764) 1.906 18.842 ( 12.364 0.000 16.465) 20.591 19.079 ( -4.128 0.000 -1.485) 4.387 19.270 ( 1.797 0.000 -0.925) 2.021 19.320 ( 2.668 0.000 -0.695) 2.757 19.340 ( -1.374 0.000 -1.214) 1.834 19.349 ( -5.620 0.000 -9.761) 11.263 19.615 ( 1.031 0.000 -0.198) 1.049 19.810 ( 1.800 0.000 0.761) 1.954 19.829 ( 1.804 0.000 3.469) 3.911 19.912 ( 2.781 0.000 9.456) 9.856 19.931 ( -5.899 0.000 -3.672) 6.949 20.335 ( 5.107 0.000 2.491) 5.682 20.772 ( -1.753 0.000 -3.915) 4.290 21.105 ( 0.758 0.000 -3.519) 3.600 21.312 ( -0.556 0.000 0.541) 0.775 21.522 ( 4.743 0.000 5.989) 7.639 22.099 ( -0.768 0.000 -0.318) 0.831 22.128 ( -2.958 0.000 -4.141) 5.089 22.217 ( -0.138 0.000 0.964) 0.974 22.391 ( -0.805 0.000 0.644) 1.031 22.427 ( -1.275 0.000 -0.677) 1.443 22.567 ( -0.777 0.000 -0.491) 0.920 22.734 ( -2.796 0.000 1.385) 3.120 23.104 ( 15.347 0.000 14.752) 21.288 23.461 ( -15.724 0.000 -14.887) 21.653 23.915 ( 12.937 0.000 14.932) 19.756 24.799 ( -9.498 0.000 -13.124) 16.200 24.828 ( 1.176 0.000 0.617) 1.328 24.938 ( -0.480 0.000 -0.182) 0.514 25.123 ( 2.591 0.000 1.323) 2.909 25.445 ( -3.905 0.000 -1.272) 4.107 26.133 ( -10.576 0.000 -18.570) 21.371 26.536 ( 6.992 0.000 -6.452) 9.514 26.699 ( 14.205 0.000 24.252) 28.106 26.768 ( -4.331 0.000 2.911) 5.218 26.861 ( 3.344 0.000 4.423) 5.545 27.178 ( -3.700 0.000 -4.964) 6.192 27.390 ( -3.352 0.000 -2.748) 4.334 27.692 ( 0.614 0.000 -4.974) 5.011 27.801 ( -0.315 0.000 4.775) 4.785 27.870 ( 0.702 0.000 1.469) 1.628 28.072 ( 2.622 0.000 2.793) 3.830 28.113 ( -0.173 0.000 1.207) 1.220 28.255 ( -8.996 0.000 -7.635) 11.799 28.373 ( 0.121 0.000 0.369) 0.388 28.402 ( -0.411 0.000 -0.160) 0.442 28.831 ( 1.869 0.000 -0.386) 1.909 28.902 ( -0.861 0.000 -0.927) 1.265 29.011 ( 2.289 0.000 -0.360) 2.317 29.086 ( 0.543 0.000 0.836) 0.997 29.303 ( -26.524 0.000 -51.622) 58.037 29.562 ( 1.439 0.000 1.347) 1.971 29.804 ( -5.686 0.000 -9.847) 11.371 29.907 ( -1.654 0.000 0.963) 1.914 29.924 ( 1.385 0.000 2.154) 2.560 30.275 ( 7.115 0.000 6.396) 9.568 30.610 ( 3.598 0.000 4.450) 5.723 30.811 ( -7.462 0.000 -3.042) 8.058 31.243 ( -5.265 0.000 -8.165) 9.715 31.696 ( -1.416 0.000 -1.527) 2.082 31.706 ( 5.755 0.000 8.407) 10.188 31.890 ( -9.000 0.000 -3.391) 9.617 32.068 ( -5.698 0.000 2.590) 6.259 32.253 ( 6.470 0.000 7.604) 9.984 32.308 ( -5.999 0.000 -7.789) 9.831 32.698 ( 0.317 0.000 3.337) 3.352 33.117 ( 6.996 0.000 -0.368) 7.006 33.166 ( -0.033 0.000 -0.070) 0.077 33.322 ( 2.434 0.000 1.035) 2.645 33.437 ( -5.373 0.000 1.844) 5.680 33.644 ( 0.474 0.000 -4.247) 4.273 33.784 ( -2.246 0.000 -4.814) 5.312 35.249 ( 21.255 0.000 26.206) 33.742 38.507 ( 7.886 0.000 8.489) 11.587 38.591 ( 2.372 0.000 0.866) 2.525 38.763 ( -3.757 0.000 1.237) 3.955 38.871 ( -0.772 0.000 2.814) 2.917 39.486 ( 0.228 0.000 -3.033) 3.041 39.728 ( 1.423 0.000 0.037) 1.423 40.041 ( 1.601 0.000 -3.082) 3.473 40.254 ( -0.910 0.000 -0.052) 0.911 41.524 ( -3.393 0.000 -5.272) 6.269 41.581 ( -3.455 0.000 0.079) 3.455 41.730 ( -1.990 0.000 4.578) 4.992 41.823 ( -0.564 0.000 1.136) 1.269 42.553 ( -0.071 0.000 -1.721) 1.723 42.689 ( -0.370 0.000 0.325) 0.492 43.546 ( 17.494 0.000 26.677) 31.902 43.928 ( 4.834 0.000 0.143) 4.836 ======================= Grid point 71 (29/84) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 8.710 20.095 24.470) 32.840 1.155 ( 10.461 24.207 30.116) 40.030 1.932 ( 6.794 30.660 25.458) 40.426 2.096 ( -4.643 11.828 14.148) 19.016 2.495 ( -2.695 2.557 3.844) 5.346 2.619 ( -0.437 10.121 3.244) 10.637 2.642 ( -3.178 4.963 2.882) 6.561 3.011 ( -1.895 -1.498 -0.445) 2.456 3.082 ( 1.809 -4.286 -1.699) 4.952 3.130 ( 3.262 -2.039 1.885) 4.284 3.442 ( -0.707 3.947 -1.967) 4.467 3.493 ( -2.659 -1.417 -1.240) 3.258 3.557 ( -2.428 0.823 -0.270) 2.578 3.705 ( -2.797 -1.677 -6.583) 7.346 3.758 ( 2.530 -0.891 1.932) 3.305 3.918 ( 2.960 -1.821 -1.054) 3.632 4.064 ( 3.997 -8.206 7.135) 11.586 4.181 ( -0.249 -1.192 -9.159) 9.239 4.285 ( 7.614 2.740 2.467) 8.460 4.373 ( -4.346 5.029 -2.923) 7.261 4.491 ( -1.002 -1.406 -2.365) 2.929 4.638 ( -1.447 -7.799 -12.104) 14.471 4.807 ( -1.051 4.023 -9.522) 10.390 5.000 ( -8.312 0.835 -4.069) 9.292 5.048 ( 7.205 -3.263 -1.912) 8.137 5.067 ( -4.255 1.522 1.642) 4.808 5.304 ( 1.599 1.696 -5.707) 6.164 5.361 ( -5.727 -1.314 -1.977) 6.199 5.464 ( 1.163 3.081 3.723) 4.971 5.513 ( 2.282 2.306 3.954) 5.114 5.710 ( 3.639 3.416 5.228) 7.228 5.850 ( -0.017 0.499 -1.097) 1.205 5.909 ( 7.408 4.032 -5.438) 10.035 6.052 ( 6.502 6.977 4.014) 10.347 6.171 ( -2.639 -5.636 4.818) 7.871 6.190 ( 2.509 -2.295 -0.236) 3.409 6.423 ( 5.845 3.785 -0.693) 6.998 6.544 ( -1.799 -11.729 -5.361) 13.021 6.748 ( -3.220 -1.750 3.687) 5.198 6.798 ( -5.252 5.519 -8.185) 11.182 6.892 ( 1.274 -2.233 1.803) 3.140 7.073 ( -4.652 -0.516 -2.010) 5.094 7.117 ( -0.181 0.174 0.738) 0.780 7.243 ( -6.589 -11.573 -8.689) 15.902 7.475 ( -2.592 -8.150 -4.471) 9.650 7.627 ( -1.533 -5.840 -2.340) 6.475 7.664 ( 0.094 -4.381 7.874) 9.011 7.860 ( 4.979 -1.953 10.037) 11.373 7.921 ( 2.296 4.923 -7.612) 9.352 8.044 ( 5.974 -0.902 -7.348) 9.513 8.339 ( -5.017 -5.406 4.963) 8.890 8.522 ( -4.080 4.652 2.422) 6.645 8.609 ( 2.230 -5.878 -0.856) 6.344 8.939 ( -1.191 -3.505 -0.918) 3.814 9.071 ( -1.496 2.886 -7.333) 8.021 9.139 ( -5.621 1.228 -4.254) 7.155 9.223 ( 1.611 0.841 -1.145) 2.147 9.350 ( 1.709 1.951 -7.593) 8.024 9.466 ( 1.245 -9.532 5.961) 11.311 9.551 ( 3.272 4.093 3.891) 6.526 9.839 ( -0.822 7.339 -7.450) 10.490 9.874 ( -3.507 -8.063 3.485) 9.458 9.929 ( 5.697 -4.170 5.546) 8.978 10.206 ( -3.810 14.249 0.377) 14.754 10.251 ( -0.515 -1.016 -3.029) 3.236 10.514 ( -2.104 -5.673 5.429) 8.129 10.596 ( -1.526 1.113 -4.050) 4.469 10.690 ( 0.747 -3.521 3.760) 5.205 10.878 ( -0.795 2.775 3.451) 4.499 11.019 ( 1.352 7.387 10.656) 13.037 11.259 ( 1.166 -10.391 1.085) 10.512 11.474 ( 1.505 -0.749 -0.884) 1.899 11.631 ( 2.591 -1.789 -3.108) 4.424 11.748 ( -4.697 -5.477 -2.480) 7.630 11.924 ( -4.331 2.715 0.683) 5.157 12.086 ( 0.346 6.418 1.688) 6.646 12.257 ( 1.754 -5.623 -1.170) 6.006 12.430 ( 0.875 -4.074 1.082) 4.305 12.482 ( -1.147 3.481 -2.197) 4.273 12.661 ( -0.175 4.301 -5.546) 7.021 12.738 ( 1.794 -4.365 3.035) 5.611 13.030 ( -4.656 5.251 -4.254) 8.207 13.174 ( 3.769 2.065 1.484) 4.546 13.239 ( 0.339 -1.862 -0.502) 1.958 13.417 ( -3.741 1.689 5.364) 6.755 13.447 ( 4.958 -2.867 3.902) 6.931 13.561 ( 3.005 0.628 0.086) 3.071 13.706 ( -3.683 1.929 -0.090) 4.158 14.087 ( 3.650 4.290 5.693) 8.008 14.333 ( -4.936 -1.198 -0.416) 5.097 14.457 ( 3.509 0.134 3.219) 4.764 14.730 ( -4.007 0.595 -4.492) 6.049 14.986 ( 0.727 2.534 -2.649) 3.737 15.187 ( 3.363 1.548 -1.549) 4.013 15.279 ( 2.169 -2.747 -0.040) 3.500 15.344 ( -2.893 3.065 3.802) 5.676 15.378 ( -2.112 -2.153 -1.935) 3.583 15.678 ( 5.690 3.192 -2.178) 6.878 15.821 ( -0.210 4.423 1.547) 4.691 16.086 ( 3.109 -3.485 -7.603) 8.923 16.299 ( -3.033 0.447 -0.906) 3.197 16.591 ( -1.994 -1.307 0.220) 2.394 16.687 ( -5.301 -8.590 -4.807) 11.180 16.829 ( -4.256 -0.698 -2.468) 4.969 16.960 ( 8.423 1.302 9.701) 12.913 17.336 ( -2.519 7.266 -2.225) 8.006 17.446 ( -0.533 5.585 -4.613) 7.263 17.580 ( -0.726 -1.363 0.530) 1.632 17.686 ( 3.159 2.100 3.297) 5.026 17.969 ( -5.057 4.837 -4.935) 8.563 18.068 ( 2.986 1.455 0.598) 3.375 18.182 ( -5.842 -5.554 -5.619) 9.826 18.271 ( -8.387 -0.765 -7.819) 11.492 18.583 ( -1.129 2.320 -6.865) 7.334 18.722 ( 4.625 -6.141 2.029) 7.951 18.887 ( 13.058 0.177 14.423) 19.457 19.067 ( -4.228 1.292 -2.747) 5.205 19.127 ( -1.754 -0.071 -3.598) 4.003 19.289 ( -0.926 1.085 -2.447) 2.832 19.524 ( 1.882 -2.645 6.018) 6.838 19.587 ( 2.155 -1.113 -0.506) 2.478 19.653 ( 13.185 -0.300 14.818) 19.836 19.816 ( 2.667 -2.486 3.456) 5.024 19.858 ( -4.776 -0.404 4.528) 6.594 19.932 ( 6.615 0.574 2.289) 7.024 20.030 ( 0.714 5.102 0.764) 5.208 20.348 ( -5.836 9.771 -1.457) 11.474 20.734 ( 5.197 -0.955 0.880) 5.357 20.908 ( -4.737 -7.430 -6.543) 10.975 21.472 ( 5.697 1.005 7.150) 9.198 21.497 ( -5.617 7.324 -3.807) 9.984 22.082 ( 1.324 -0.381 1.406) 1.968 22.145 ( 1.785 1.813 1.338) 2.875 22.203 ( 1.691 -4.352 3.761) 5.996 22.349 ( -2.347 -2.606 -2.131) 4.104 22.418 ( 0.132 1.271 -1.260) 1.795 22.556 ( -0.072 1.130 -0.090) 1.136 22.675 ( -3.744 -5.721 -0.830) 6.888 22.931 ( -14.810 3.938 -13.541) 20.450 23.494 ( -22.589 -9.618 -22.034) 32.989 23.785 ( 18.529 7.725 18.779) 27.489 24.798 ( -2.087 3.805 -6.306) 7.655 24.964 ( 0.772 1.126 1.194) 1.814 25.102 ( -1.931 -1.068 -1.697) 2.784 25.160 ( 17.695 2.985 20.497) 27.242 25.496 ( 1.082 3.671 0.386) 3.847 25.705 ( -4.780 -3.914 3.513) 7.107 26.495 ( 3.718 -10.124 -3.573) 11.362 26.553 ( -2.558 -9.110 0.652) 9.485 26.784 ( 2.370 0.097 5.597) 6.079 26.966 ( -13.206 8.560 -16.589) 22.866 27.282 ( 1.277 9.110 -6.177) 11.081 27.373 ( 3.546 -2.753 1.968) 4.902 27.533 ( -1.621 -6.441 -5.426) 8.576 27.772 ( -2.601 -2.678 0.210) 3.739 27.903 ( -3.989 3.943 -4.292) 7.063 28.126 ( -0.385 0.169 1.161) 1.235 28.228 ( -1.802 7.460 0.570) 7.695 28.339 ( -0.417 -1.205 -1.258) 1.791 28.384 ( -0.772 -0.058 -1.657) 1.829 28.520 ( 12.836 -2.362 7.777) 15.193 28.777 ( 0.255 -1.096 -0.950) 1.473 28.883 ( -3.129 -2.366 -0.114) 3.925 29.026 ( 2.675 -2.178 1.016) 3.596 29.092 ( 2.750 1.253 4.596) 5.500 29.346 ( 33.153 -12.478 14.009) 38.093 29.564 ( -2.732 0.818 -2.071) 3.525 29.843 ( 0.094 0.994 -0.673) 1.204 29.892 ( -1.048 0.649 2.003) 2.352 29.976 ( 6.789 1.182 -6.029) 9.156 30.338 ( -10.029 2.433 -20.034) 22.536 30.400 ( -12.837 1.139 -13.983) 19.016 31.095 ( 18.645 9.873 -2.562) 21.253 31.303 ( 11.166 -3.377 5.706) 12.986 31.610 ( -8.149 1.943 -1.693) 8.547 31.739 ( 4.917 -3.966 6.360) 8.964 31.937 ( 0.950 4.017 3.947) 5.711 32.100 ( 0.583 2.490 -0.203) 2.566 32.209 ( -4.140 4.061 1.779) 6.066 32.431 ( 3.141 -0.209 7.200) 7.858 32.702 ( -1.695 -0.216 2.486) 3.017 33.018 ( -5.474 -12.269 3.827) 13.969 33.123 ( -0.068 -3.357 -1.308) 3.603 33.241 ( -5.474 -7.792 4.988) 10.750 33.301 ( -2.592 2.729 -6.620) 7.615 33.640 ( 0.596 -1.094 -7.194) 7.301 33.904 ( 5.366 7.085 12.401) 15.257 34.393 ( -30.612 -2.486 5.151) 31.142 38.499 ( 1.164 0.055 -2.013) 2.326 38.633 ( -0.488 -4.877 -3.531) 6.041 38.787 ( -1.666 -4.536 0.563) 4.865 39.282 ( 6.411 -0.444 -14.559) 15.915 39.540 ( 3.537 19.501 -7.269) 21.110 39.751 ( -3.915 6.459 -4.685) 8.888 40.030 ( -19.996 12.640 3.482) 23.911 40.132 ( 4.994 4.592 2.161) 7.120 41.510 ( 0.031 -5.429 3.582) 6.504 41.744 ( 3.214 -6.312 3.358) 7.839 41.858 ( -0.839 7.461 2.587) 7.941 42.195 ( 25.605 4.092 -2.264) 26.029 42.548 ( 1.840 -0.360 -0.877) 2.070 42.645 ( -0.741 -1.622 -1.684) 2.453 43.469 ( -7.352 -31.397 26.074) 41.469 43.870 ( -0.741 -9.225 -1.166) 9.328 ======================= Grid point 72 (30/84) ======================= q-point: ( 0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 12.189 1.971 26.590) 29.317 1.672 ( 7.292 12.485 27.487) 31.057 2.050 ( -1.472 6.946 -3.155) 7.770 2.248 ( -2.574 9.135 -10.896) 14.450 2.454 ( -3.771 7.621 6.431) 10.661 2.721 ( 2.156 13.969 15.266) 20.805 2.786 ( 3.584 -0.749 10.426) 11.051 2.925 ( -7.699 -1.760 -1.557) 8.050 3.068 ( -2.359 -1.343 1.010) 2.896 3.249 ( 3.453 -3.997 1.769) 5.571 3.392 ( -2.015 3.947 2.489) 5.083 3.451 ( -3.029 4.952 2.434) 6.294 3.505 ( -3.760 2.618 3.188) 5.582 3.547 ( -2.064 -0.464 -5.733) 6.110 3.737 ( -2.595 -5.267 -8.924) 10.683 3.975 ( 5.079 -0.220 0.969) 5.175 4.038 ( 0.594 -3.503 -2.769) 4.504 4.246 ( 1.535 -1.079 -1.582) 2.454 4.256 ( -1.444 -4.725 3.538) 6.077 4.388 ( -1.721 -0.888 -6.339) 6.628 4.466 ( 0.904 2.236 -2.786) 3.685 4.595 ( 7.313 1.623 6.264) 9.765 4.653 ( 0.994 3.046 -8.145) 8.752 4.758 ( -7.110 0.266 -8.667) 11.213 5.062 ( -1.047 5.557 3.109) 6.453 5.150 ( 1.682 -1.671 -6.300) 6.732 5.201 ( -0.958 3.941 -2.380) 4.702 5.309 ( 3.916 5.439 -2.170) 7.045 5.523 ( 3.085 0.212 0.737) 3.179 5.616 ( 5.572 -8.157 -2.061) 10.091 5.758 ( 6.170 1.739 -3.503) 7.305 5.841 ( -0.321 -11.720 0.778) 11.750 5.994 ( 1.653 1.621 5.325) 5.806 6.090 ( -7.404 0.859 -3.339) 8.167 6.175 ( 3.766 -0.018 0.145) 3.768 6.239 ( 2.962 -3.874 -1.659) 5.151 6.493 ( -0.749 1.932 -0.999) 2.301 6.531 ( -2.480 4.017 -3.207) 5.707 6.657 ( 2.059 -8.664 1.109) 8.974 6.728 ( -0.376 1.607 -4.548) 4.838 6.883 ( -7.002 2.969 -1.416) 7.736 6.974 ( -3.757 -2.205 1.390) 4.573 7.033 ( -1.710 -10.318 6.472) 12.299 7.183 ( 0.408 1.101 3.742) 3.922 7.380 ( 0.088 5.143 -5.046) 7.206 7.583 ( -2.806 -1.387 -9.607) 10.104 7.665 ( -3.815 -4.822 4.086) 7.382 7.863 ( -2.162 -1.921 -1.929) 3.476 7.950 ( -1.729 5.581 -1.496) 6.031 8.106 ( 4.739 -5.457 0.475) 7.243 8.362 ( -0.733 3.722 5.441) 6.633 8.453 ( -3.653 -6.563 -2.690) 7.979 8.676 ( 4.113 1.799 2.282) 5.036 8.783 ( -4.678 0.211 -1.363) 4.877 8.967 ( -7.882 3.760 -3.276) 9.327 9.098 ( -2.380 -4.981 0.808) 5.579 9.205 ( 0.655 -1.747 -2.721) 3.299 9.346 ( 7.597 2.603 -6.068) 10.065 9.583 ( 4.787 -0.938 4.554) 6.674 9.655 ( -1.344 0.360 -2.919) 3.234 9.711 ( 5.409 -0.793 3.499) 6.490 9.905 ( 1.649 1.730 -0.713) 2.494 10.057 ( -4.109 -0.633 -1.478) 4.413 10.157 ( 0.266 -0.776 2.369) 2.507 10.247 ( 2.261 0.307 3.395) 4.091 10.476 ( -3.255 1.944 -6.587) 7.600 10.575 ( -1.325 -6.579 4.108) 7.869 10.752 ( 2.837 -3.577 3.734) 5.898 10.926 ( -1.013 1.468 5.278) 5.571 11.096 ( -2.663 2.730 3.402) 5.111 11.265 ( -3.358 -4.631 3.415) 6.662 11.439 ( -5.277 1.064 -1.169) 5.508 11.614 ( -5.173 2.136 -3.252) 6.472 11.660 ( 4.370 -2.154 0.092) 4.873 11.876 ( -5.096 1.630 1.168) 5.476 12.054 ( -1.304 3.354 -1.947) 4.092 12.297 ( -0.614 -4.287 1.293) 4.520 12.400 ( 0.361 -2.349 -1.403) 2.759 12.535 ( 4.504 2.179 -0.351) 5.016 12.586 ( 1.196 3.411 -5.327) 6.438 12.815 ( 0.598 -1.372 3.116) 3.457 12.928 ( -0.636 4.154 -2.684) 4.986 13.187 ( -3.292 -5.061 -0.159) 6.040 13.246 ( 2.046 0.765 -0.253) 2.199 13.390 ( -6.676 -1.455 3.556) 7.703 13.548 ( -2.336 -1.065 -0.213) 2.576 13.647 ( 7.843 0.906 4.627) 9.151 13.678 ( 4.171 1.721 -1.630) 4.797 14.233 ( 3.697 2.337 6.437) 7.783 14.283 ( -2.323 -1.547 1.932) 3.395 14.539 ( 3.642 2.457 1.893) 4.784 14.597 ( -3.128 -0.052 -6.205) 6.950 14.995 ( 0.455 3.706 1.994) 4.233 15.138 ( -2.057 1.640 -5.783) 6.353 15.249 ( -1.558 -0.764 -1.356) 2.202 15.365 ( 4.155 5.184 1.119) 6.737 15.454 ( -0.011 -6.917 5.388) 8.768 15.669 ( 0.285 5.605 -7.859) 9.657 15.812 ( 0.308 4.739 -3.419) 5.852 16.034 ( 2.254 -6.477 -6.306) 9.316 16.333 ( 3.768 -0.710 7.776) 8.670 16.477 ( -7.441 -3.594 -6.753) 10.671 16.655 ( 3.517 1.474 4.925) 6.229 16.720 ( -2.150 0.689 -3.110) 3.843 17.190 ( 3.331 -1.149 5.039) 6.149 17.246 ( -1.923 3.748 -2.033) 4.677 17.536 ( 5.622 -5.177 5.403) 9.360 17.614 ( 0.129 4.211 0.673) 4.266 17.691 ( 0.595 5.877 0.959) 5.984 17.806 ( -7.672 -2.872 -9.469) 12.521 18.024 ( 3.281 -1.008 3.927) 5.216 18.087 ( 1.308 0.154 -1.964) 2.365 18.277 ( 2.398 -5.941 4.679) 7.933 18.506 ( -0.010 -0.854 -6.405) 6.462 18.802 ( -0.100 -3.091 1.107) 3.285 18.913 ( -2.388 -0.968 -3.930) 4.699 19.110 ( 0.581 4.390 1.856) 4.802 19.174 ( -3.800 4.753 -3.795) 7.172 19.333 ( 12.337 0.976 10.623) 16.310 19.493 ( -5.231 0.364 -9.031) 10.442 19.630 ( 2.220 -1.525 7.289) 7.770 19.790 ( -2.588 1.057 1.324) 3.093 19.841 ( 0.396 -1.843 -0.267) 1.904 19.869 ( -6.815 -2.837 3.385) 8.121 19.931 ( -4.490 -0.823 -6.175) 7.679 20.126 ( 5.335 2.489 5.674) 8.176 20.546 ( 13.127 -2.727 10.261) 16.883 20.667 ( -8.802 -4.682 -10.785) 14.687 20.923 ( 9.801 8.923 11.118) 17.301 21.156 ( -12.039 13.675 -14.065) 23.017 21.853 ( 14.029 -1.694 16.018) 21.360 22.017 ( -9.741 -0.922 -11.041) 14.753 22.222 ( 2.125 -1.484 3.173) 4.097 22.237 ( -1.272 -1.433 0.166) 1.924 22.316 ( 1.472 -2.587 3.965) 4.958 22.392 ( -1.930 -2.754 -2.378) 4.119 22.505 ( -0.570 3.519 -1.023) 3.709 22.554 ( -3.682 0.380 -4.067) 5.499 22.826 ( 5.805 -3.381 6.644) 9.448 23.033 ( -6.302 -6.177 -10.511) 13.724 24.270 ( 15.724 7.261 16.917) 24.210 24.545 ( -11.338 7.171 -15.819) 20.741 24.995 ( 0.215 0.419 2.466) 2.511 25.025 ( -3.615 0.073 -2.339) 4.307 25.472 ( 1.934 1.480 1.534) 2.878 25.576 ( 4.668 2.721 1.146) 5.524 25.887 ( 7.130 -11.710 17.629) 22.332 26.312 ( -14.193 -8.235 -16.132) 23.010 26.511 ( -2.480 2.557 0.548) 3.604 26.712 ( 1.883 0.844 -4.147) 4.633 26.936 ( 3.483 0.899 6.340) 7.290 27.231 ( 0.728 2.443 -5.627) 6.178 27.408 ( 0.517 -4.775 -2.052) 5.222 27.492 ( 3.347 -3.168 -3.180) 5.600 27.715 ( -2.692 0.592 0.435) 2.791 27.832 ( 0.802 1.466 -0.794) 1.850 28.125 ( -1.026 0.691 1.232) 1.745 28.209 ( -0.997 2.118 -0.461) 2.386 28.333 ( -0.952 0.333 -0.669) 1.210 28.344 ( 0.453 1.364 -0.002) 1.437 28.774 ( -1.671 -1.756 0.339) 2.448 28.798 ( 2.859 0.050 2.833) 4.025 28.836 ( 5.025 0.227 4.021) 6.439 28.990 ( -0.206 1.195 -6.125) 6.244 29.250 ( 7.108 1.517 9.679) 12.103 29.335 ( -12.449 -0.099 -11.312) 16.821 29.499 ( -20.661 -2.985 -9.438) 22.910 29.810 ( 6.081 0.666 -1.022) 6.203 29.885 ( -0.950 -0.811 4.428) 4.600 29.984 ( -7.428 -1.088 -4.512) 8.758 30.089 ( -4.297 0.630 -8.086) 9.179 30.501 ( 39.071 -21.155 -2.933) 44.527 31.218 ( -11.532 0.249 -9.495) 14.940 31.315 ( 11.894 2.444 -0.500) 12.152 31.723 ( 8.068 2.331 6.229) 10.456 31.756 ( -2.192 1.263 -3.101) 4.002 31.977 ( -2.549 3.379 0.446) 4.256 32.076 ( 3.749 5.236 0.378) 6.451 32.342 ( 5.122 -1.040 11.417) 12.556 32.458 ( -2.742 -0.915 -1.144) 3.108 32.796 ( 3.816 -0.997 9.036) 9.859 32.966 ( -5.671 -5.394 -0.446) 7.840 33.036 ( -5.780 -1.646 -1.993) 6.332 33.216 ( 0.740 -0.336 -2.796) 2.912 33.266 ( -1.248 -5.327 3.084) 6.281 33.595 ( 2.506 -4.570 -3.861) 6.486 33.994 ( -16.659 13.535 7.645) 22.785 34.284 ( 10.397 5.562 10.743) 15.951 38.487 ( -1.628 -4.013 -0.578) 4.369 38.598 ( 1.972 -5.486 -2.922) 6.521 38.756 ( -3.420 0.171 0.867) 3.533 39.177 ( 2.868 -4.394 -11.429) 12.576 39.497 ( -4.065 12.196 4.546) 13.635 39.677 ( 1.041 8.119 -4.693) 9.436 39.907 ( -9.791 9.974 5.856) 15.154 40.247 ( 5.549 5.844 3.050) 8.617 41.558 ( -0.427 -6.290 3.918) 7.423 41.751 ( -0.409 -4.143 -1.660) 4.482 41.891 ( -0.719 9.324 3.804) 10.095 42.389 ( 13.856 1.543 -10.443) 17.419 42.576 ( 2.235 -0.947 -0.018) 2.427 42.619 ( 2.507 0.279 -3.507) 4.320 43.548 ( -15.528 -20.979 15.581) 30.397 43.791 ( -7.205 -9.643 -2.241) 12.244 ======================= Grid point 73 (31/84) ======================= q-point: ( 0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -18.364 11.712 -24.595) 32.853 1.934 ( 10.462 -3.180 8.309) 13.733 1.992 ( 3.446 9.665 1.474) 10.367 2.198 ( 1.586 7.529 12.577) 14.743 2.528 ( 0.033 -2.642 8.312) 8.722 2.752 ( -5.758 -7.153 -0.821) 9.219 2.784 ( -8.980 3.741 0.675) 9.751 2.900 ( -3.714 1.854 6.396) 7.625 3.089 ( 1.147 -0.381 0.264) 1.237 3.325 ( 3.560 -5.269 4.068) 7.549 3.403 ( -5.645 0.082 -1.038) 5.740 3.438 ( 3.566 -4.818 -0.634) 6.028 3.464 ( -2.648 2.711 -0.085) 3.791 3.568 ( -3.017 5.214 2.875) 6.675 3.634 ( 2.514 -2.253 -1.761) 3.807 3.915 ( -1.530 2.323 -9.921) 10.304 4.069 ( -1.007 -3.051 -1.012) 3.368 4.205 ( -4.209 -6.991 0.215) 8.163 4.290 ( 2.603 -6.670 -6.078) 9.392 4.305 ( 1.468 -2.568 5.062) 5.863 4.463 ( 0.832 13.003 -1.077) 13.074 4.547 ( -1.264 1.804 -9.869) 10.112 4.697 ( 2.494 7.321 6.613) 10.176 4.920 ( -0.299 7.960 -2.111) 8.240 4.937 ( 12.607 -2.218 4.014) 13.415 5.159 ( 2.188 3.257 3.256) 5.099 5.224 ( 0.441 0.738 2.183) 2.346 5.391 ( 6.273 5.421 1.017) 8.353 5.551 ( 4.126 -5.863 -7.811) 10.603 5.667 ( 6.558 -3.609 1.091) 7.565 5.719 ( -2.243 -1.318 -6.548) 7.046 5.875 ( 1.090 -1.939 0.908) 2.402 6.031 ( 3.652 2.960 6.644) 8.139 6.139 ( 0.717 -4.805 5.960) 7.689 6.151 ( -2.074 2.900 -9.464) 10.114 6.233 ( 1.203 -2.434 -4.024) 4.854 6.272 ( -7.197 -0.975 -3.972) 8.278 6.482 ( 3.629 -3.775 -0.875) 5.309 6.635 ( -4.207 2.934 2.400) 5.663 6.754 ( -4.194 -0.750 -1.497) 4.516 6.863 ( -9.640 -8.336 2.308) 12.952 6.925 ( -5.398 5.636 2.966) 8.348 7.085 ( 0.990 -8.815 3.660) 9.596 7.164 ( -5.711 -0.759 -6.616) 8.773 7.427 ( 6.542 -0.594 -0.370) 6.579 7.492 ( 3.315 2.069 7.666) 8.604 7.639 ( -3.171 -5.990 0.962) 6.846 7.850 ( 2.840 5.085 1.356) 5.980 7.898 ( 0.688 11.637 -4.090) 12.354 8.057 ( -5.051 -1.816 -6.876) 8.723 8.314 ( -3.320 -14.371 3.358) 15.127 8.502 ( -3.104 3.624 3.460) 5.894 8.678 ( -1.366 4.348 -5.378) 7.049 8.780 ( -0.878 -4.414 1.830) 4.858 8.875 ( -0.117 5.522 2.332) 5.995 9.059 ( -1.883 -0.221 0.889) 2.094 9.214 ( 1.266 -7.757 0.754) 7.896 9.353 ( 4.092 -2.546 -5.831) 7.564 9.564 ( -0.716 7.711 -2.141) 8.035 9.725 ( 5.497 -1.128 1.865) 5.913 9.889 ( 3.487 4.293 -5.884) 8.075 9.905 ( -3.251 -0.331 2.545) 4.142 9.952 ( 3.219 -3.135 4.576) 6.413 10.164 ( 0.530 -1.010 -0.190) 1.156 10.319 ( -5.344 -0.220 -5.855) 7.930 10.373 ( 3.206 1.637 6.349) 7.298 10.582 ( -4.172 -6.113 2.297) 7.750 10.865 ( 2.496 -0.890 5.338) 5.960 10.956 ( 0.696 0.334 0.356) 0.850 11.057 ( -3.291 0.687 -1.216) 3.575 11.256 ( -3.392 0.912 2.133) 4.109 11.335 ( -6.650 4.528 -0.527) 8.063 11.498 ( -4.651 2.859 -3.330) 6.395 11.716 ( 0.748 -3.305 1.153) 3.580 11.826 ( -2.575 -1.632 0.024) 3.049 12.055 ( 1.585 6.342 2.959) 7.175 12.289 ( 0.028 -1.154 0.431) 1.232 12.366 ( -0.774 0.323 -5.741) 5.802 12.521 ( -0.121 0.458 -0.869) 0.990 12.618 ( 2.492 -2.046 -0.670) 3.293 12.812 ( -0.467 2.664 0.657) 2.784 12.964 ( 1.808 -0.377 2.144) 2.830 13.118 ( -2.410 -9.037 -2.791) 9.760 13.268 ( -0.013 -0.004 0.458) 0.458 13.323 ( -5.489 -3.388 1.567) 6.638 13.462 ( -4.720 -0.683 -2.165) 5.237 13.737 ( 5.059 4.863 -1.373) 7.151 13.836 ( 8.295 1.811 3.937) 9.359 14.231 ( -2.947 -3.774 -1.732) 5.092 14.386 ( 3.962 5.490 5.796) 8.912 14.534 ( 2.046 -3.317 -2.849) 4.827 14.636 ( 4.864 2.873 5.295) 7.743 15.005 ( -1.920 0.446 -4.520) 4.931 15.075 ( 0.152 2.018 3.943) 4.432 15.210 ( -1.415 0.357 -1.764) 2.290 15.375 ( -3.125 2.458 -8.677) 9.545 15.466 ( -4.125 7.196 5.056) 9.714 15.575 ( 1.487 1.273 -2.170) 2.923 15.762 ( 0.908 3.170 -4.642) 5.694 15.980 ( -1.525 -6.185 -4.843) 8.002 16.387 ( 1.409 -1.408 -0.076) 1.993 16.538 ( 4.283 -5.168 8.988) 11.218 16.696 ( 1.887 -1.739 -0.308) 2.585 16.821 ( 7.578 -0.417 7.437) 10.626 17.094 ( -3.510 4.041 -5.546) 7.708 17.287 ( 1.444 -1.243 0.337) 1.935 17.511 ( -2.358 2.533 -2.418) 4.222 17.648 ( -0.019 -1.169 0.312) 1.210 17.718 ( 1.768 1.406 -0.632) 2.345 17.882 ( 6.349 4.987 8.658) 11.838 18.133 ( 6.140 -2.511 3.718) 7.604 18.175 ( 9.158 -3.045 5.827) 11.274 18.367 ( 1.193 -7.291 1.487) 7.536 18.430 ( 0.547 -4.227 -0.863) 4.349 18.685 ( -4.619 4.298 -5.198) 8.175 18.986 ( 0.247 -3.238 1.568) 3.606 19.042 ( -2.766 -0.350 -0.777) 2.895 19.170 ( -6.089 4.175 -7.778) 10.724 19.222 ( -1.055 3.826 -2.976) 4.960 19.488 ( -0.324 -3.152 2.211) 3.864 19.593 ( -12.137 -1.075 -6.954) 14.029 19.743 ( -8.458 -3.075 -5.037) 10.314 19.782 ( 0.924 -0.498 1.270) 1.647 19.821 ( -1.042 -0.267 -0.423) 1.156 19.972 ( 5.545 -0.339 5.005) 7.478 20.221 ( -5.424 -0.053 -8.086) 9.737 20.328 ( -0.991 5.091 2.025) 5.568 20.697 ( -1.520 -0.050 -3.740) 4.038 20.912 ( -2.095 2.993 -4.483) 5.782 21.332 ( 13.668 8.862 14.533) 21.830 21.628 ( -14.605 -3.260 -13.004) 19.825 22.114 ( 2.486 -0.365 0.913) 2.673 22.180 ( -0.039 0.677 -0.486) 0.835 22.302 ( -0.804 -3.435 1.132) 3.705 22.313 ( 1.235 -2.958 1.137) 3.401 22.410 ( 1.359 0.663 -1.597) 2.199 22.569 ( 2.838 2.387 1.964) 4.196 22.666 ( 13.305 0.918 15.180) 20.206 22.959 ( 4.225 -1.973 -1.372) 4.861 23.254 ( 23.413 -6.334 24.678) 34.602 24.087 ( -17.598 8.036 -21.905) 29.225 24.647 ( 10.246 4.921 10.249) 15.305 24.959 ( -2.157 0.056 -1.190) 2.464 25.023 ( -1.060 -0.491 2.686) 2.928 25.360 ( -17.571 -1.312 -12.815) 21.787 25.568 ( 3.036 6.295 -5.239) 8.734 25.936 ( -4.206 -2.735 -7.150) 8.735 26.023 ( -8.605 -6.682 3.503) 11.444 26.603 ( 4.358 -0.634 10.518) 11.403 26.754 ( 2.596 -8.946 -1.406) 9.420 26.984 ( 0.720 1.636 -1.112) 2.105 27.141 ( -2.623 1.581 -4.255) 5.243 27.444 ( 5.272 -1.761 -1.185) 5.683 27.520 ( 4.334 0.218 1.157) 4.491 27.735 ( 0.378 1.481 3.012) 3.378 27.903 ( 4.904 -1.441 3.389) 6.133 28.122 ( -1.267 0.924 1.120) 1.927 28.200 ( 0.017 -2.131 0.464) 2.181 28.304 ( -0.256 4.485 -0.804) 4.563 28.388 ( 1.592 -1.586 1.873) 2.926 28.666 ( -10.453 -1.463 -15.857) 19.049 28.707 ( -4.535 -0.920 -1.409) 4.837 28.874 ( -3.257 -3.333 -0.202) 4.664 29.005 ( 2.453 3.709 0.260) 4.454 29.052 ( -14.128 -0.001 -9.438) 16.991 29.110 ( -0.864 4.423 0.044) 4.507 29.521 ( 6.072 2.851 7.640) 10.167 29.842 ( 1.753 -0.644 -0.265) 1.886 29.877 ( 1.368 -0.137 -1.416) 1.973 29.982 ( -0.749 -0.848 0.433) 1.211 30.073 ( 5.850 0.507 11.007) 12.475 30.781 ( 6.100 -12.297 -11.409) 17.849 30.943 ( -7.663 3.519 -10.098) 13.155 31.341 ( -2.181 -7.501 -3.779) 8.678 31.750 ( 8.586 7.985 4.595) 12.593 31.858 ( 0.980 1.087 -1.851) 2.359 32.006 ( 4.294 5.015 3.978) 7.708 32.132 ( 3.737 -3.448 -0.484) 5.108 32.414 ( 0.779 -2.260 -2.844) 3.715 32.489 ( -1.815 -2.199 1.732) 3.336 32.847 ( -1.614 1.459 -3.221) 3.888 32.942 ( 1.876 -4.422 3.004) 5.665 33.015 ( -0.949 -1.066 7.483) 7.617 33.193 ( 1.181 -0.006 -3.628) 3.816 33.293 ( -1.773 -4.252 5.164) 6.921 33.605 ( 3.267 -6.735 -2.189) 7.799 33.863 ( -8.756 18.957 2.364) 21.015 34.637 ( 12.434 -3.369 13.288) 18.507 38.441 ( -2.318 -4.209 -1.200) 4.953 38.610 ( 2.197 -6.000 -1.179) 6.498 38.722 ( -3.983 2.844 3.019) 5.750 39.103 ( 3.026 -9.155 -7.525) 12.231 39.513 ( -2.281 3.436 3.518) 5.421 39.656 ( 1.521 12.154 -1.230) 12.311 39.846 ( -6.983 10.543 3.921) 13.240 40.355 ( 4.026 7.066 2.463) 8.497 41.576 ( -2.179 -6.952 1.566) 7.452 41.722 ( 0.374 -4.125 -2.479) 4.827 41.922 ( -0.087 10.162 1.756) 10.313 42.413 ( 7.126 0.162 -8.238) 10.894 42.588 ( 5.559 0.259 -6.817) 8.800 42.654 ( 3.949 0.260 0.554) 3.996 43.464 ( -17.311 -12.272 11.312) 24.047 43.619 ( -10.811 -8.570 -2.706) 14.059 ======================= Grid point 74 (32/84) ======================= q-point: ( 0.38 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 4.153 18.354 -8.885) 20.810 1.974 ( 4.260 7.433 -6.003) 10.461 2.147 ( 8.396 -6.508 0.274) 10.627 2.439 ( 6.704 2.067 11.476) 13.450 2.500 ( -10.637 -5.596 -2.269) 12.231 2.675 ( -8.483 0.002 5.129) 9.913 2.701 ( -7.855 -13.995 1.148) 16.090 2.837 ( -3.724 0.076 -3.359) 5.016 3.123 ( 0.496 3.392 4.784) 5.885 3.213 ( -9.267 6.954 -3.962) 12.245 3.364 ( 4.321 -9.257 -8.856) 13.520 3.452 ( 2.653 -0.221 0.339) 2.684 3.538 ( 0.756 0.333 3.184) 3.290 3.550 ( -2.644 1.541 0.015) 3.061 3.627 ( -0.087 -4.023 -1.386) 4.256 3.750 ( -3.140 4.986 -6.625) 8.867 4.013 ( -0.641 -8.150 -2.268) 8.484 4.224 ( -1.902 -8.696 6.774) 11.186 4.264 ( 4.776 -4.177 -6.441) 9.041 4.325 ( 0.613 3.492 -4.187) 5.487 4.513 ( 2.827 14.333 3.983) 15.143 4.533 ( 3.696 3.412 3.911) 6.371 4.743 ( -3.434 2.677 -0.352) 4.369 4.846 ( 4.617 11.229 -2.824) 12.465 5.133 ( -1.201 -3.155 0.701) 3.448 5.186 ( -1.097 2.928 1.921) 3.669 5.321 ( 7.791 1.962 -2.005) 8.281 5.491 ( 6.116 -5.166 -6.013) 10.012 5.591 ( 3.094 3.876 11.672) 12.682 5.683 ( 6.596 -0.933 -1.176) 6.765 5.741 ( -6.823 2.618 -6.058) 9.493 5.892 ( 7.505 -1.137 2.093) 7.874 5.990 ( -0.225 0.788 -1.486) 1.697 6.106 ( -2.229 -6.920 -1.237) 7.375 6.179 ( 3.600 0.033 0.933) 3.719 6.231 ( 2.167 -5.646 0.394) 6.061 6.338 ( 4.632 -5.830 4.384) 8.641 6.474 ( -14.297 3.540 -8.061) 16.791 6.565 ( -1.686 -0.188 -2.174) 2.758 6.606 ( -2.113 -1.360 6.395) 6.871 6.725 ( -2.064 0.653 -0.908) 2.347 6.788 ( -12.703 -1.622 3.976) 13.409 7.102 ( -1.582 -3.667 1.761) 4.365 7.237 ( 4.562 -2.528 4.076) 6.619 7.413 ( -2.401 -2.072 -0.440) 3.202 7.617 ( -2.659 2.996 0.110) 4.008 7.670 ( 2.704 3.881 2.565) 5.381 7.846 ( 1.850 7.002 -3.201) 7.919 7.944 ( -0.980 4.349 -1.911) 4.851 7.961 ( 4.235 -11.342 -1.238) 12.170 8.253 ( -5.539 -14.822 0.198) 15.825 8.477 ( -2.087 2.469 2.685) 4.203 8.585 ( -0.143 7.013 -3.517) 7.847 8.832 ( -0.399 0.929 7.313) 7.383 8.915 ( -1.689 3.174 2.737) 4.518 9.042 ( 1.700 1.855 -5.255) 5.826 9.235 ( -0.633 -11.368 2.118) 11.581 9.398 ( 4.873 -7.014 3.855) 9.371 9.581 ( 2.835 11.110 2.307) 11.695 9.696 ( -6.388 7.432 -1.562) 9.924 9.856 ( 2.833 -8.094 -3.434) 9.237 9.945 ( 7.107 9.792 0.402) 12.107 10.063 ( -1.299 -2.633 2.429) 3.810 10.150 ( -1.941 0.473 -2.503) 3.202 10.251 ( 0.998 3.273 3.599) 4.966 10.479 ( -1.147 1.323 2.141) 2.766 10.516 ( -3.317 -10.728 0.766) 11.255 10.928 ( 0.438 -3.540 0.537) 3.607 10.939 ( -0.676 6.092 -3.629) 7.123 10.989 ( -2.864 3.125 -0.463) 4.264 11.188 ( -2.344 2.724 -5.056) 6.203 11.287 ( -2.832 5.483 3.400) 7.045 11.378 ( -2.079 4.011 -6.863) 8.216 11.730 ( -1.140 -5.485 -0.520) 5.627 11.806 ( -1.389 -2.027 3.613) 4.370 12.121 ( 0.291 8.217 0.867) 8.268 12.279 ( 0.534 0.325 -3.110) 3.172 12.342 ( 3.031 0.165 4.161) 5.151 12.529 ( 0.373 1.084 1.572) 1.946 12.611 ( -1.352 -7.591 -0.941) 7.768 12.835 ( 0.458 3.019 1.468) 3.388 12.970 ( -1.259 -2.493 -0.828) 2.913 13.086 ( 1.614 -7.693 -1.705) 8.043 13.218 ( -4.957 -8.759 0.202) 10.066 13.326 ( 1.695 3.754 1.164) 4.281 13.385 ( -3.210 0.441 -0.412) 3.266 13.778 ( 4.061 8.476 -2.589) 9.749 13.944 ( 2.032 1.625 -0.111) 2.605 14.172 ( 0.238 -5.052 -2.849) 5.805 14.489 ( 2.169 2.410 -0.302) 3.257 14.542 ( 2.192 -4.820 0.346) 5.306 14.800 ( 2.460 1.297 1.223) 3.038 14.893 ( 0.310 2.939 0.257) 2.967 15.151 ( -4.364 -3.137 -2.304) 5.847 15.159 ( -2.591 6.850 -5.416) 9.108 15.208 ( 1.356 2.208 8.760) 9.136 15.499 ( -2.847 9.994 6.809) 12.424 15.609 ( 2.766 -2.247 -0.109) 3.566 15.760 ( 3.805 2.205 -0.114) 4.399 15.889 ( -2.763 -3.407 -2.672) 5.137 16.431 ( 1.949 -0.808 -0.499) 2.168 16.586 ( -2.334 -9.023 0.335) 9.326 16.774 ( 2.919 -0.803 1.994) 3.625 16.891 ( -1.007 -7.861 -3.732) 8.760 17.087 ( 4.637 4.917 -0.599) 6.785 17.332 ( 2.195 4.276 1.741) 5.112 17.460 ( -2.108 2.025 -1.604) 3.334 17.611 ( -0.837 2.035 -0.611) 2.284 17.760 ( 2.593 1.045 -0.575) 2.854 18.100 ( 4.262 2.006 3.432) 5.828 18.184 ( 4.062 -0.785 2.473) 4.821 18.342 ( 0.179 -3.038 -1.638) 3.456 18.365 ( 2.701 -3.434 0.717) 4.428 18.489 ( -6.001 -2.728 -0.253) 6.597 18.598 ( -0.987 3.539 -3.395) 5.003 18.904 ( 13.487 -8.086 12.877) 20.325 19.054 ( -0.649 0.141 0.714) 0.974 19.133 ( -13.437 -0.276 -13.265) 18.884 19.183 ( -0.161 -3.177 1.796) 3.653 19.298 ( -4.197 1.695 -1.266) 4.700 19.390 ( -7.219 -2.791 -4.769) 9.091 19.576 ( -0.864 0.150 -1.246) 1.524 19.786 ( -0.577 -2.377 -2.532) 3.521 19.835 ( 1.533 -0.941 3.482) 3.919 20.071 ( 2.425 -0.604 -0.187) 2.506 20.087 ( -0.532 10.091 -1.899) 10.282 20.477 ( 0.488 5.089 -0.335) 5.123 20.553 ( -1.542 1.038 0.895) 2.063 20.912 ( 0.914 -2.849 1.353) 3.284 21.369 ( -3.712 -3.618 -4.481) 6.852 21.566 ( 1.960 4.815 2.907) 5.957 22.095 ( -0.136 -1.291 -0.796) 1.523 22.203 ( 1.659 3.371 -0.438) 3.782 22.277 ( -0.166 -5.087 -1.723) 5.373 22.352 ( -0.124 -2.492 0.852) 2.637 22.428 ( 1.390 2.780 1.228) 3.342 22.608 ( 1.503 0.800 0.086) 1.705 22.913 ( 3.409 -5.310 -2.163) 6.670 23.221 ( 12.451 2.566 12.099) 17.550 23.554 ( -11.951 11.941 -13.976) 21.926 23.930 ( 16.390 -8.194 14.511) 23.374 24.632 ( -12.552 -5.327 -10.862) 17.433 24.898 ( -2.801 2.448 -1.770) 4.119 24.968 ( -1.669 6.924 -2.487) 7.544 25.035 ( -1.524 0.465 2.619) 3.066 25.618 ( 6.548 5.459 -0.121) 8.526 25.915 ( -6.109 -0.431 3.280) 6.948 25.925 ( -2.040 -0.920 4.343) 4.886 26.664 ( -1.986 -13.315 -6.386) 14.900 26.783 ( -0.325 -10.390 6.769) 12.405 27.020 ( 3.756 3.002 1.961) 5.193 27.095 ( -1.917 7.626 0.484) 7.878 27.467 ( 2.764 2.291 -2.782) 4.542 27.627 ( 4.905 0.812 1.576) 5.215 27.756 ( -1.797 -2.689 1.980) 3.792 27.998 ( 2.251 2.847 0.932) 3.748 28.139 ( -0.017 1.026 0.630) 1.204 28.205 ( -0.842 -1.742 0.114) 1.938 28.300 ( 0.198 3.380 0.542) 3.429 28.392 ( -0.134 0.497 -2.221) 2.280 28.442 ( -2.092 -1.218 -2.873) 3.756 28.575 ( -4.215 -14.408 -0.645) 15.026 28.766 ( -1.674 4.382 0.366) 4.705 28.928 ( -0.832 -0.683 -0.338) 1.128 29.025 ( 0.384 3.793 -0.202) 3.818 29.198 ( 2.516 6.497 1.620) 7.153 29.582 ( 0.036 2.344 0.046) 2.345 29.832 ( 1.590 -0.701 -0.413) 1.786 29.912 ( -1.115 -3.288 -0.759) 3.554 30.008 ( 3.396 1.223 1.148) 3.788 30.343 ( -1.035 1.074 4.773) 5.000 30.677 ( -4.961 0.789 -0.786) 5.084 30.682 ( 2.086 0.798 -2.539) 3.381 31.293 ( 0.583 -4.626 -2.424) 5.255 31.795 ( 0.327 2.043 -4.638) 5.078 31.988 ( 4.128 7.959 1.458) 9.083 32.090 ( 8.524 0.241 1.351) 8.633 32.217 ( 5.857 -7.279 0.751) 9.373 32.326 ( -8.696 -0.846 -7.559) 11.552 32.392 ( -0.484 -6.483 -1.214) 6.614 32.840 ( 1.641 -0.877 -3.587) 4.041 32.953 ( -0.139 -0.641 -1.299) 1.455 33.119 ( -1.115 -3.533 7.531) 8.393 33.173 ( 1.346 -0.140 -0.785) 1.564 33.348 ( -2.347 -1.261 8.529) 8.936 33.614 ( 2.213 -5.711 -3.588) 7.098 33.784 ( -3.626 18.326 -0.815) 18.699 34.873 ( 1.378 -9.294 4.908) 10.600 38.406 ( -0.762 -2.978 -0.315) 3.090 38.617 ( 0.702 -2.539 -0.877) 2.776 38.725 ( -2.968 0.030 5.175) 5.966 39.071 ( 3.612 -9.077 -5.895) 11.410 39.494 ( -1.216 0.435 -1.912) 2.307 39.688 ( 0.050 8.374 3.048) 8.912 39.807 ( -4.452 13.622 4.000) 14.878 40.407 ( 0.624 7.032 -0.215) 7.063 41.543 ( -1.534 -6.115 -1.380) 6.454 41.707 ( 1.587 -4.279 -2.140) 5.040 41.927 ( -0.017 9.280 -0.942) 9.328 42.428 ( 5.552 -0.987 -3.653) 6.719 42.579 ( 8.710 1.235 -11.594) 14.554 42.712 ( 2.100 0.099 0.361) 2.133 43.350 ( -15.297 -8.287 9.662) 19.901 43.460 ( -6.835 -6.557 0.074) 9.472 ======================= Grid point 75 (33/84) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 18.900 15.863 14.495) 28.617 1.983 ( 3.199 6.644 -4.753) 8.773 2.076 ( -12.586 5.596 -5.315) 14.764 2.339 ( -8.337 -6.733 -5.637) 12.108 2.421 ( -7.903 -4.736 -4.597) 10.296 2.608 ( 2.774 -3.176 0.676) 4.270 2.769 ( 0.793 -8.506 12.338) 15.007 2.845 ( -1.342 4.811 0.744) 5.050 2.995 ( -4.848 10.268 -5.600) 12.661 3.203 ( 5.800 -3.725 -3.235) 7.615 3.340 ( 4.533 -6.726 -4.712) 9.380 3.427 ( -6.608 0.668 -3.058) 7.312 3.477 ( 2.908 1.814 0.205) 3.433 3.555 ( -0.189 -5.723 -2.476) 6.238 3.601 ( -1.192 -4.863 -4.559) 6.771 3.792 ( 9.662 2.099 4.766) 10.976 4.009 ( 0.618 -3.123 -1.427) 3.489 4.201 ( 3.656 5.305 -10.061) 11.947 4.297 ( -3.431 -3.460 3.391) 5.937 4.311 ( 1.291 -7.897 4.022) 8.956 4.587 ( -1.446 9.034 4.289) 10.104 4.615 ( 1.252 2.234 -0.058) 2.562 4.743 ( -0.596 -0.811 9.296) 9.350 4.890 ( 1.590 10.108 -1.171) 10.299 5.070 ( 1.239 -1.478 -4.701) 5.082 5.207 ( -0.739 2.620 2.995) 4.047 5.294 ( -6.441 8.018 -5.660) 11.739 5.508 ( 1.564 2.143 -1.628) 3.113 5.617 ( 3.154 -5.661 -5.134) 8.267 5.620 ( 3.704 -0.086 0.324) 3.719 5.713 ( -8.095 -0.631 -1.720) 8.300 5.927 ( -1.842 -8.383 -4.055) 9.493 6.044 ( 3.061 -2.942 5.366) 6.842 6.132 ( 3.961 -3.885 -0.772) 5.602 6.262 ( -0.056 -1.275 -3.013) 3.273 6.294 ( 4.478 3.046 -0.233) 5.421 6.331 ( 3.954 -4.375 9.717) 11.366 6.403 ( -2.918 -2.745 1.279) 4.205 6.556 ( -0.203 -2.038 5.944) 6.287 6.651 ( -1.766 -4.372 1.624) 4.987 6.713 ( -0.494 1.626 4.020) 4.364 6.766 ( 2.729 1.210 4.489) 5.392 7.082 ( -4.197 -8.037 -1.571) 9.202 7.243 ( -3.272 -7.355 -2.282) 8.367 7.416 ( 1.244 0.177 3.344) 3.572 7.498 ( -5.162 2.740 -8.381) 10.217 7.626 ( -3.189 6.815 -4.278) 8.656 7.893 ( 4.641 5.721 -1.636) 7.546 7.927 ( 0.043 4.303 -0.644) 4.351 7.950 ( 1.804 2.005 -0.877) 2.836 8.216 ( -1.164 -10.718 -0.174) 10.783 8.511 ( -0.436 2.518 4.479) 5.156 8.649 ( 5.780 0.002 4.138) 7.108 8.842 ( -3.241 -0.162 -3.780) 4.982 8.925 ( -1.757 -0.406 4.508) 4.855 9.025 ( 0.225 3.305 2.984) 4.458 9.246 ( -1.606 -6.268 2.501) 6.937 9.550 ( 2.809 -3.927 9.368) 10.539 9.615 ( -3.186 6.600 0.840) 7.376 9.706 ( 7.147 6.604 5.315) 11.087 9.842 ( -1.061 -9.134 -4.156) 10.091 9.997 ( -2.694 1.087 -3.949) 4.902 10.033 ( -0.913 3.253 3.015) 4.528 10.161 ( 5.409 3.207 2.516) 6.773 10.297 ( -4.019 8.950 3.434) 10.395 10.404 ( -2.715 -1.086 -2.324) 3.735 10.497 ( -3.046 -7.434 -0.139) 8.035 10.806 ( -3.625 4.264 -7.494) 9.353 10.942 ( 0.121 1.268 -1.312) 1.829 11.003 ( 2.918 2.038 0.764) 3.640 11.138 ( 3.553 1.430 -4.756) 6.106 11.203 ( -3.532 5.202 -5.912) 8.631 11.364 ( 4.242 3.953 -0.120) 5.799 11.667 ( -2.693 -2.626 -4.482) 5.852 11.859 ( 0.930 -2.404 4.344) 5.051 12.058 ( -3.033 4.924 -3.750) 6.893 12.338 ( 1.806 -3.548 5.272) 6.606 12.453 ( 2.531 3.777 5.632) 7.238 12.546 ( -2.651 -1.764 1.415) 3.485 12.597 ( 2.310 -5.134 0.998) 5.717 12.839 ( -1.640 3.430 0.894) 3.906 12.954 ( 1.122 -2.170 -1.564) 2.901 13.094 ( 1.654 -5.900 -1.337) 6.272 13.169 ( -0.869 -6.389 -0.680) 6.483 13.348 ( -2.549 1.710 1.461) 3.400 13.380 ( 2.958 2.201 1.126) 3.855 13.790 ( 1.732 8.674 -2.490) 9.189 13.906 ( -2.263 1.630 -4.241) 5.076 14.167 ( 2.625 -6.957 -1.726) 7.633 14.403 ( -5.394 0.932 -7.849) 9.569 14.592 ( 1.013 -3.697 1.805) 4.237 14.697 ( -3.388 0.408 -2.896) 4.476 15.011 ( -0.713 2.418 -1.421) 2.894 15.077 ( 1.333 0.068 5.368) 5.532 15.129 ( 2.084 -2.279 -1.697) 3.524 15.429 ( 4.978 4.808 13.609) 15.267 15.535 ( -1.418 1.320 6.685) 6.960 15.628 ( -1.775 4.159 1.983) 4.937 15.853 ( 0.935 2.245 3.434) 4.208 15.891 ( 7.620 -3.102 2.533) 8.608 16.393 ( -1.958 -0.242 -5.055) 5.426 16.521 ( -4.515 -5.922 -4.947) 8.940 16.724 ( -1.769 -0.907 -3.324) 3.873 16.880 ( -1.489 -6.039 -3.341) 7.061 17.080 ( 0.803 6.564 -2.199) 6.969 17.330 ( -2.110 1.557 -1.353) 2.951 17.458 ( 3.040 3.323 0.770) 4.569 17.638 ( 1.035 -0.433 1.841) 2.156 17.745 ( -0.484 0.042 -2.790) 2.832 17.950 ( -10.430 -1.173 -10.774) 15.041 18.125 ( 0.908 3.086 -2.546) 4.103 18.295 ( -6.029 -1.714 -8.502) 10.563 18.404 ( -2.261 -6.670 -1.027) 7.118 18.479 ( -1.879 -8.009 2.638) 8.639 18.713 ( -1.883 3.443 1.168) 4.094 18.870 ( 10.441 2.844 9.131) 14.159 19.057 ( -2.116 -4.537 -1.856) 5.339 19.148 ( 1.343 4.475 2.536) 5.316 19.230 ( 0.845 0.980 0.580) 1.418 19.366 ( 4.309 0.871 3.435) 5.579 19.453 ( 10.353 -6.711 11.378) 16.783 19.599 ( 5.903 -2.270 4.130) 7.554 19.761 ( 0.796 -0.237 -0.642) 1.050 19.882 ( -1.517 1.648 1.482) 2.686 20.031 ( -3.972 -0.201 -5.733) 6.977 20.143 ( 6.991 3.967 5.703) 9.856 20.284 ( -4.831 7.031 -8.723) 12.201 20.722 ( 4.202 -0.338 8.054) 9.091 20.927 ( -0.205 -2.902 0.983) 3.071 21.425 ( 6.691 -1.593 2.853) 7.447 21.474 ( -6.133 3.597 -5.165) 8.788 22.113 ( 1.914 -1.187 1.447) 2.677 22.213 ( 0.205 3.379 -0.727) 3.462 22.260 ( 0.366 -4.056 -1.411) 4.310 22.319 ( -3.102 -2.506 -2.599) 4.760 22.468 ( 0.683 1.342 2.074) 2.563 22.606 ( -1.587 1.256 -1.749) 2.674 22.759 ( -12.108 -3.690 -17.168) 21.330 23.021 ( -3.439 2.210 -6.460) 7.644 23.513 ( -27.071 -4.771 -29.113) 40.040 23.924 ( 20.711 9.555 21.857) 31.591 24.779 ( -7.098 4.623 -4.646) 9.661 24.917 ( 5.240 -2.081 4.497) 7.212 24.975 ( 3.694 -2.306 4.112) 5.989 25.074 ( 11.793 0.094 10.791) 15.986 25.703 ( 4.263 1.152 -1.160) 4.565 25.922 ( -4.497 3.023 11.923) 13.097 25.995 ( 1.274 -2.693 6.004) 6.702 26.538 ( -2.617 -6.563 -6.724) 9.754 26.816 ( -1.963 -6.948 -0.694) 7.253 27.083 ( -0.087 2.923 3.493) 4.555 27.125 ( 3.331 -0.481 5.652) 6.578 27.480 ( 1.668 2.657 -1.244) 3.375 27.654 ( -3.339 3.436 -1.787) 5.113 27.731 ( -1.245 -4.869 0.126) 5.027 27.961 ( -4.367 0.130 -5.062) 6.687 28.083 ( -0.313 1.338 -1.456) 2.002 28.181 ( -0.799 -0.087 -1.439) 1.649 28.333 ( -0.301 3.962 1.775) 4.352 28.386 ( -1.364 -2.343 -2.644) 3.787 28.529 ( 12.471 -1.133 10.160) 16.125 28.711 ( 5.822 -9.285 10.832) 15.409 28.783 ( 1.996 1.753 2.741) 3.817 28.973 ( 2.822 -1.468 3.956) 5.077 29.024 ( -0.259 3.549 0.337) 3.575 29.155 ( -3.575 5.726 -2.621) 7.241 29.555 ( -2.504 3.526 -2.479) 4.985 29.863 ( 1.012 0.514 1.327) 1.746 29.933 ( 0.984 -3.034 -1.018) 3.348 30.007 ( -2.977 1.724 -7.905) 8.621 30.042 ( -10.691 2.004 -5.245) 12.076 30.699 ( 6.977 0.361 4.128) 8.115 31.062 ( 12.976 -4.679 19.368) 23.778 31.291 ( 2.724 -2.454 -0.385) 3.686 31.754 ( 2.082 2.299 -7.122) 7.768 31.853 ( -6.561 8.603 -8.225) 13.591 32.098 ( -7.872 0.298 -5.672) 9.707 32.234 ( 2.817 -6.251 -1.538) 7.026 32.330 ( 4.057 -3.020 0.140) 5.060 32.417 ( 4.338 -8.853 1.437) 9.963 32.787 ( 0.669 -0.590 -4.944) 5.024 32.880 ( -3.541 1.448 -5.805) 6.953 33.155 ( 0.999 -2.575 0.919) 2.911 33.232 ( -1.685 -2.112 7.829) 8.282 33.422 ( -4.990 1.182 10.414) 11.608 33.584 ( 0.900 3.183 -2.888) 4.392 33.734 ( -0.522 8.427 -2.549) 8.819 34.764 ( -11.151 -9.434 -9.524) 17.437 38.421 ( 1.183 -0.333 2.327) 2.631 38.625 ( 0.820 -0.749 0.857) 1.403 38.745 ( -2.640 -2.140 4.028) 5.270 39.050 ( 4.310 -3.978 -7.228) 9.309 39.453 ( -1.234 -1.779 -0.742) 2.288 39.696 ( -0.033 4.668 -1.392) 4.871 39.834 ( -2.710 13.368 8.365) 16.001 40.363 ( -2.086 5.787 -4.531) 7.640 41.523 ( 0.737 -5.780 -0.738) 5.873 41.715 ( 2.189 -4.325 -1.259) 5.008 41.901 ( -0.575 9.124 -2.024) 9.363 42.484 ( 6.672 -2.146 -2.492) 7.439 42.551 ( 9.133 1.928 -14.049) 16.867 42.709 ( -1.128 0.697 -1.563) 2.050 43.260 ( -14.043 -5.913 10.196) 18.334 43.456 ( 3.385 -6.399 3.038) 7.851 ======================= Grid point 76 (34/84) ======================= q-point: (-0.38 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -20.958 12.124 -0.289) 24.214 1.771 ( -11.696 10.659 -6.287) 17.028 1.951 ( -1.468 12.404 -6.847) 14.244 2.241 ( 7.330 0.508 10.098) 12.489 2.382 ( 1.704 5.684 -2.719) 6.527 2.610 ( -8.664 12.270 -7.533) 16.804 2.706 ( 7.008 -8.502 2.728) 11.351 2.887 ( 2.022 -1.448 5.346) 5.896 2.979 ( -0.402 0.786 -5.512) 5.582 3.222 ( 3.651 -3.270 -4.163) 6.430 3.331 ( -2.897 -2.280 1.160) 3.865 3.377 ( 1.256 -5.475 -2.366) 6.095 3.451 ( -3.881 2.257 -5.270) 6.923 3.535 ( 1.035 -4.717 -3.130) 5.755 3.639 ( 6.645 -4.564 6.876) 10.596 3.893 ( -2.595 0.499 -9.169) 9.542 3.995 ( 6.879 1.175 0.472) 6.994 4.129 ( 5.317 7.195 -9.807) 13.274 4.323 ( 0.936 -4.680 4.790) 6.762 4.373 ( 0.585 -5.286 4.557) 7.004 4.604 ( -3.054 1.596 4.635) 5.776 4.640 ( 1.028 4.804 2.395) 5.465 4.836 ( -2.741 -6.058 5.990) 8.949 4.905 ( 1.097 -0.134 5.347) 5.460 5.052 ( -3.550 5.595 -3.138) 7.332 5.118 ( 0.259 -2.861 -2.010) 3.506 5.308 ( -0.057 4.441 8.682) 9.752 5.459 ( -6.616 7.456 -3.524) 10.572 5.552 ( 1.102 -6.048 -7.084) 9.379 5.618 ( 3.609 3.309 -3.790) 6.191 5.783 ( 5.714 -5.043 5.087) 9.163 5.867 ( -0.544 -0.727 -2.448) 2.611 6.060 ( -1.822 -5.112 -9.210) 10.690 6.108 ( -1.986 -4.921 3.674) 6.454 6.192 ( 1.277 0.500 -6.687) 6.826 6.326 ( -6.592 -2.945 6.292) 9.577 6.382 ( -2.942 5.888 6.635) 9.346 6.567 ( 8.484 -5.145 9.629) 13.826 6.691 ( 9.226 -7.860 0.417) 12.128 6.704 ( 3.195 -8.562 1.618) 9.281 6.767 ( 1.672 -5.438 7.018) 9.034 6.872 ( 2.540 0.973 2.488) 3.686 6.913 ( -6.901 -13.088 -5.913) 15.934 7.143 ( -3.081 1.873 -9.760) 10.405 7.314 ( -1.259 1.817 -5.104) 5.562 7.518 ( 6.600 -4.777 0.234) 8.151 7.613 ( 0.605 6.648 5.421) 8.599 7.825 ( -4.998 11.699 -4.813) 13.602 7.942 ( 3.075 14.369 -0.663) 14.709 8.039 ( 7.182 2.566 -2.056) 7.899 8.249 ( 2.588 -6.068 4.397) 7.928 8.520 ( -1.543 0.195 -1.889) 2.447 8.685 ( -1.518 -7.235 -1.791) 7.607 8.822 ( 0.358 1.556 1.855) 2.448 8.954 ( -0.807 -4.063 5.305) 6.731 9.070 ( -0.645 0.663 3.896) 4.004 9.293 ( -0.946 1.023 7.911) 8.032 9.609 ( 2.017 0.374 -1.520) 2.553 9.664 ( -3.968 -1.293 6.680) 7.877 9.709 ( -7.240 -4.976 -3.747) 9.550 9.848 ( 2.283 4.253 2.502) 5.437 9.873 ( -6.223 0.009 -3.765) 7.274 10.097 ( 3.055 -0.841 7.137) 7.809 10.242 ( -1.020 1.732 0.060) 2.011 10.273 ( -5.897 6.108 -0.344) 8.497 10.362 ( 7.249 -0.201 2.534) 7.681 10.519 ( 0.962 1.061 3.708) 3.975 10.660 ( -2.337 5.660 -8.237) 10.264 10.900 ( -3.346 2.420 -2.740) 4.956 11.009 ( -0.474 2.760 -3.931) 4.826 11.092 ( 1.344 1.982 -5.283) 5.801 11.202 ( 8.802 1.889 -1.772) 9.175 11.467 ( 7.471 1.786 1.935) 7.922 11.567 ( 0.299 -0.077 -6.509) 6.516 11.909 ( -1.776 -1.267 2.380) 3.229 12.005 ( 1.245 1.239 -0.603) 1.857 12.374 ( -4.336 -5.875 3.041) 7.909 12.528 ( -0.362 -7.202 1.668) 7.402 12.556 ( 1.602 3.420 4.368) 5.774 12.648 ( 0.118 2.648 1.511) 3.051 12.837 ( -0.874 2.117 1.934) 2.997 12.947 ( 0.661 3.276 -1.210) 3.555 13.102 ( 2.421 -5.902 -1.515) 6.557 13.171 ( 2.475 -1.340 -1.940) 3.418 13.327 ( -2.716 1.894 1.479) 3.627 13.439 ( 3.709 1.348 -0.216) 3.952 13.760 ( -3.628 0.757 -2.468) 4.453 13.811 ( -1.886 5.367 -2.555) 6.237 14.206 ( 3.167 -7.569 0.704) 8.235 14.210 ( -5.212 0.787 -8.218) 9.763 14.609 ( -2.325 -1.490 0.371) 2.786 14.646 ( -0.864 -1.144 1.404) 2.006 14.990 ( -0.044 2.881 0.661) 2.957 15.118 ( 2.966 -0.676 -3.509) 4.644 15.191 ( 0.885 -4.505 6.697) 8.120 15.458 ( -1.773 -7.814 -3.551) 8.764 15.588 ( -8.129 7.754 5.298) 12.421 15.809 ( 6.557 4.312 15.614) 17.476 15.906 ( 0.771 5.807 2.166) 6.246 16.036 ( 3.910 -5.179 1.089) 6.580 16.318 ( -6.391 -1.185 -9.616) 11.607 16.342 ( 4.729 -1.430 -0.911) 5.024 16.714 ( -6.193 0.830 -5.097) 8.063 16.727 ( 1.067 -1.942 0.610) 2.298 17.155 ( 4.376 4.242 3.804) 7.185 17.244 ( -3.840 1.673 -5.442) 6.868 17.553 ( 4.780 3.563 2.857) 6.611 17.608 ( -4.133 -3.904 -4.286) 7.120 17.718 ( -4.808 1.721 -4.998) 7.146 17.751 ( 2.281 -1.254 1.913) 3.230 18.065 ( -4.183 -0.393 -4.514) 6.167 18.094 ( -0.230 0.336 -3.416) 3.441 18.389 ( -6.484 -10.131 -0.309) 12.032 18.509 ( 6.770 -4.268 4.834) 9.350 18.787 ( 3.109 4.710 4.805) 7.413 18.910 ( -2.674 -4.818 -4.499) 7.114 19.080 ( 4.346 3.192 4.626) 7.104 19.135 ( -2.339 3.143 -3.292) 5.118 19.388 ( 3.065 -3.232 2.623) 5.169 19.499 ( -0.955 -0.050 -2.957) 3.107 19.573 ( 10.404 1.250 11.180) 15.323 19.729 ( -5.815 6.591 -5.530) 10.384 19.777 ( -3.153 4.876 -1.713) 6.054 19.838 ( 0.845 -2.723 1.026) 3.030 19.911 ( 3.337 0.732 3.234) 4.704 20.106 ( -2.703 3.536 -8.212) 9.340 20.524 ( 15.476 -6.657 16.712) 23.730 20.722 ( -8.845 -6.914 -8.504) 14.084 21.029 ( 4.502 7.340 4.820) 9.869 21.089 ( -10.083 7.172 -9.919) 15.858 21.839 ( 19.075 -2.746 17.760) 26.207 22.012 ( -16.008 -0.453 -15.694) 22.422 22.195 ( 1.814 -0.566 1.609) 2.490 22.234 ( -1.264 -0.811 -2.724) 3.110 22.285 ( 1.593 -3.317 0.031) 3.679 22.348 ( -4.421 -1.366 -7.639) 8.932 22.539 ( 0.131 1.638 1.010) 1.929 22.552 ( -1.957 1.414 -1.737) 2.974 22.944 ( -10.941 -3.678 -9.339) 14.847 23.005 ( 2.529 -2.092 -0.477) 3.317 24.433 ( 11.124 7.673 12.773) 18.594 24.494 ( -11.196 8.429 -8.192) 16.233 24.964 ( 0.229 -0.290 -0.166) 0.405 24.968 ( 1.243 0.123 0.489) 1.341 25.463 ( 8.459 -6.086 8.367) 13.364 25.662 ( -3.840 -6.271 -9.670) 12.148 25.969 ( -7.643 -0.547 7.715) 10.874 26.180 ( 9.305 -4.040 10.867) 14.866 26.470 ( 0.027 5.062 0.574) 5.095 26.733 ( 0.225 -2.151 -5.672) 6.070 27.096 ( -8.072 -1.345 2.311) 8.503 27.277 ( 4.758 -2.728 6.245) 8.311 27.507 ( 4.534 1.624 1.546) 5.058 27.526 ( -5.119 -2.569 -2.610) 6.295 27.742 ( -2.423 -0.604 1.234) 2.785 27.843 ( -1.798 -1.157 -3.197) 3.846 28.084 ( 0.761 2.259 -0.149) 2.388 28.150 ( 0.462 3.352 -2.747) 4.358 28.338 ( -0.960 -1.442 -0.730) 1.880 28.350 ( 0.291 2.490 0.959) 2.684 28.725 ( 2.345 -0.807 3.111) 3.979 28.812 ( -0.258 -0.115 -2.353) 2.370 28.942 ( -2.644 -2.425 2.378) 4.304 29.031 ( 1.563 0.538 1.068) 1.968 29.131 ( 16.302 0.079 11.232) 19.797 29.189 ( 1.087 -3.207 0.333) 3.402 29.407 ( -7.072 7.187 1.206) 10.155 29.737 ( 1.198 1.891 -6.530) 6.903 29.921 ( 2.365 -0.231 3.965) 4.622 29.962 ( -3.695 1.187 -0.212) 3.887 30.108 ( 5.170 -0.546 9.496) 10.826 30.812 ( 6.662 -14.806 -13.573) 21.162 31.204 ( 1.749 0.614 3.129) 3.637 31.483 ( -0.077 5.581 -8.901) 10.506 31.626 ( 6.125 -2.183 11.977) 13.628 31.882 ( -7.910 0.473 -6.155) 10.033 31.884 ( 2.606 2.531 3.183) 4.830 32.153 ( -4.490 -2.151 -7.556) 9.049 32.311 ( -4.630 -2.187 -5.175) 7.281 32.448 ( 2.027 -9.435 -2.095) 9.875 32.726 ( -4.303 1.003 -5.967) 7.425 32.834 ( 6.467 0.539 1.067) 6.576 33.180 ( -0.474 -2.411 1.725) 3.002 33.284 ( -2.572 -1.281 4.604) 5.427 33.416 ( -5.267 4.343 3.733) 7.781 33.670 ( -0.914 7.774 17.320) 19.007 33.698 ( 0.630 -1.284 -2.743) 3.094 34.395 ( -13.393 -4.622 -16.691) 21.894 38.490 ( 1.431 2.904 4.927) 5.895 38.667 ( 1.972 -1.099 2.770) 3.573 38.740 ( -2.234 -2.499 0.926) 3.477 39.013 ( 6.118 4.507 -10.451) 12.921 39.451 ( -1.741 -4.625 3.416) 6.007 39.683 ( 2.845 5.179 -2.967) 6.612 39.917 ( -2.403 8.777 10.941) 14.230 40.259 ( -2.130 4.630 -6.454) 8.223 41.530 ( -0.368 -6.385 0.635) 6.427 41.727 ( 1.503 -4.439 -1.782) 5.014 41.873 ( -0.974 9.693 -0.170) 9.743 42.452 ( 13.261 0.494 -27.030) 30.112 42.573 ( 1.512 -0.987 4.088) 4.469 42.658 ( -2.117 0.986 -2.379) 3.334 43.193 ( -12.316 -5.578 10.244) 16.963 43.592 ( 8.344 -7.019 3.177) 11.357 ======================= Grid point 77 (35/84) ======================= q-point: (-0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -30.273 14.704 -6.114) 34.206 1.351 ( -26.427 19.159 -5.616) 33.121 1.890 ( -3.077 21.723 -0.095) 21.940 2.170 ( -18.445 11.965 -9.703) 24.032 2.447 ( 2.879 6.591 -0.503) 7.209 2.560 ( 3.522 1.129 2.073) 4.240 2.679 ( -7.774 4.894 -0.895) 9.230 2.949 ( 4.086 -4.908 0.891) 6.448 3.123 ( 9.027 1.412 10.003) 13.547 3.205 ( -3.367 2.280 -6.178) 7.396 3.219 ( 3.588 -1.230 -3.064) 4.876 3.435 ( 0.867 -1.109 5.331) 5.514 3.445 ( 4.306 -1.401 3.435) 5.684 3.575 ( 8.667 -2.829 1.060) 9.179 3.711 ( 2.196 -2.204 -5.613) 6.417 3.832 ( 3.662 -2.579 -1.975) 4.895 4.006 ( -0.084 0.484 -4.379) 4.407 4.125 ( 8.165 8.193 -7.325) 13.691 4.384 ( -2.150 -5.694 4.281) 7.441 4.479 ( 1.275 -3.868 3.566) 5.413 4.612 ( -1.036 -3.183 6.054) 6.918 4.702 ( 2.750 -1.123 0.741) 3.062 4.818 ( -1.257 -2.347 -2.514) 3.662 4.974 ( 1.754 -3.416 -1.969) 4.315 5.001 ( -0.066 -1.977 4.594) 5.002 5.175 ( 1.755 2.243 4.785) 5.568 5.306 ( -5.446 4.430 -4.041) 8.101 5.434 ( 0.296 2.746 9.629) 10.017 5.486 ( 0.742 -6.662 -3.434) 7.532 5.534 ( -5.439 5.556 -9.202) 12.047 5.815 ( -1.057 4.622 -5.319) 7.125 5.887 ( 1.833 -0.498 2.597) 3.218 5.960 ( 1.822 -3.825 -7.199) 8.353 6.028 ( -10.960 3.558 -0.253) 11.526 6.181 ( 1.642 -0.763 -1.226) 2.187 6.302 ( -6.050 -2.490 4.758) 8.089 6.418 ( 5.300 1.496 -7.608) 9.392 6.621 ( -6.554 -6.404 0.073) 9.163 6.711 ( 1.057 -7.424 -0.442) 7.512 6.818 ( 4.533 -6.232 -0.646) 7.734 6.860 ( 6.807 -11.051 0.933) 13.013 6.959 ( 2.847 -3.756 7.786) 9.102 6.999 ( 8.241 -4.405 6.734) 11.518 7.107 ( 8.197 -1.663 8.604) 11.999 7.280 ( 2.042 4.831 -4.945) 7.209 7.565 ( -0.202 0.287 -2.983) 3.004 7.683 ( -1.627 4.397 4.848) 6.744 7.771 ( 6.118 -0.640 -3.459) 7.057 7.943 ( -1.402 5.739 -3.529) 6.881 8.052 ( 3.442 1.915 -2.684) 4.767 8.348 ( 0.888 -2.705 5.695) 6.367 8.501 ( -1.521 -0.906 -0.137) 1.776 8.663 ( 6.077 -4.916 -2.825) 8.311 8.769 ( -5.688 2.576 -3.211) 7.022 9.027 ( 1.864 -4.052 3.857) 5.897 9.180 ( 6.332 -1.921 7.695) 10.149 9.344 ( -4.611 -0.464 5.969) 7.557 9.497 ( -8.071 -4.224 -6.131) 10.980 9.579 ( -4.862 3.218 -2.609) 6.388 9.672 ( -8.178 1.158 -3.728) 9.062 9.757 ( 2.482 0.587 4.629) 5.285 9.900 ( -1.493 4.303 0.079) 4.555 10.119 ( -6.509 -6.934 -1.174) 9.582 10.228 ( 2.628 -0.766 1.878) 3.320 10.291 ( -3.822 14.217 6.448) 16.072 10.484 ( 3.243 0.412 1.516) 3.603 10.530 ( 1.196 1.644 -1.684) 2.640 10.622 ( 1.921 -1.623 2.543) 3.576 10.823 ( -1.413 5.991 -1.027) 6.241 10.910 ( -2.247 4.330 -6.478) 8.109 11.108 ( 5.346 -1.464 -1.173) 5.666 11.329 ( 9.863 2.464 -1.344) 10.255 11.543 ( 6.251 -0.194 -2.897) 6.893 11.620 ( 6.406 -1.341 3.439) 7.393 11.893 ( -1.559 -2.009 1.302) 2.857 12.043 ( 1.932 4.825 0.486) 5.220 12.333 ( -3.356 -6.211 0.873) 7.113 12.496 ( -5.363 -6.652 0.510) 8.560 12.614 ( -3.175 5.926 1.306) 6.849 12.663 ( 3.472 -0.432 1.124) 3.675 12.804 ( -3.683 -1.362 -1.790) 4.315 12.988 ( 3.771 8.010 2.124) 9.105 13.134 ( 3.431 -3.853 -0.554) 5.189 13.173 ( 1.867 2.198 -3.003) 4.163 13.309 ( -1.578 2.390 1.199) 3.105 13.476 ( 2.952 0.057 -1.804) 3.460 13.631 ( -6.952 1.303 -3.016) 7.689 13.792 ( -3.304 0.940 2.437) 4.212 14.071 ( -1.308 1.425 -6.058) 6.359 14.267 ( 1.782 -7.023 3.557) 8.072 14.546 ( -4.920 0.315 -1.376) 5.118 14.691 ( 2.537 0.787 2.784) 3.848 15.027 ( 1.354 1.004 3.243) 3.655 15.112 ( 4.080 -0.301 -4.378) 5.992 15.263 ( -2.132 -6.415 0.024) 6.760 15.384 ( -0.033 -4.890 -0.463) 4.911 15.522 ( -8.956 4.200 4.479) 10.859 15.823 ( -4.548 8.071 -5.077) 10.564 15.913 ( -7.071 -0.447 -3.643) 7.967 16.101 ( 5.193 -3.025 -0.197) 6.013 16.237 ( 4.184 1.688 3.783) 5.888 16.537 ( 10.597 -6.416 5.944) 13.740 16.595 ( -2.352 0.293 -0.481) 2.419 16.807 ( 2.506 0.569 4.262) 4.977 17.023 ( -7.967 1.868 -8.617) 11.883 17.320 ( 4.814 8.075 4.755) 10.535 17.433 ( -3.829 1.404 -5.080) 6.515 17.565 ( -0.622 -3.796 0.149) 3.850 17.711 ( -0.914 4.696 -0.389) 4.800 17.908 ( 4.808 -0.700 3.174) 5.803 18.053 ( 5.884 -2.325 5.140) 8.152 18.154 ( 8.328 0.405 7.636) 11.306 18.304 ( -4.244 -8.075 0.653) 9.146 18.671 ( 3.615 0.871 5.176) 6.373 18.733 ( -2.066 -5.447 -5.509) 8.018 18.991 ( 2.417 5.723 0.961) 6.287 19.048 ( -2.880 -0.472 -4.395) 5.275 19.162 ( -8.273 2.600 -5.152) 10.087 19.254 ( 1.009 2.881 -0.879) 3.177 19.421 ( -0.752 -3.413 -3.157) 4.710 19.555 ( 0.749 -1.198 -3.101) 3.408 19.754 ( -2.622 -0.171 0.384) 2.656 19.791 ( -8.800 -1.267 -10.167) 13.506 19.823 ( 1.947 1.239 5.307) 5.787 19.915 ( -2.091 5.791 -5.394) 8.185 20.116 ( 6.472 1.609 6.312) 9.183 20.303 ( -11.745 5.973 -13.576) 18.919 20.830 ( 0.100 -2.404 0.673) 2.498 20.884 ( 2.048 -8.867 4.902) 10.336 21.358 ( 12.146 10.315 11.602) 19.711 21.534 ( -13.520 -1.040 -16.146) 21.085 22.115 ( -2.369 -1.111 -1.665) 3.102 22.196 ( -1.763 -2.638 -1.514) 3.516 22.200 ( -0.016 1.372 -0.134) 1.379 22.308 ( 5.826 -3.360 5.556) 8.724 22.449 ( 0.857 -0.625 2.169) 2.414 22.543 ( 6.044 1.076 5.292) 8.105 22.606 ( 2.229 -4.341 2.438) 5.455 22.835 ( 1.573 2.273 4.452) 5.240 23.247 ( 19.006 -5.830 17.545) 26.515 24.046 ( -19.936 8.606 -15.581) 26.726 24.775 ( 8.261 6.583 8.045) 13.278 24.943 ( -0.198 0.488 -0.950) 1.086 25.041 ( 3.801 -0.208 2.188) 4.391 25.299 ( -16.366 -5.549 -21.366) 27.480 25.555 ( -1.711 0.366 1.239) 2.144 25.932 ( -9.238 -8.908 8.067) 15.159 26.413 ( 7.594 -3.740 2.462) 8.815 26.483 ( 1.813 -3.765 -2.421) 4.829 26.823 ( 10.858 5.664 7.473) 14.346 26.923 ( -10.828 1.520 -2.246) 11.162 27.336 ( -0.039 3.841 -0.463) 3.869 27.471 ( -2.593 -3.564 -0.567) 4.444 27.641 ( -0.039 -6.581 4.117) 7.763 27.666 ( 1.645 -1.228 -0.906) 2.244 27.874 ( 2.862 3.732 3.518) 5.873 28.081 ( 0.212 2.104 -1.774) 2.760 28.159 ( 2.630 6.939 1.434) 7.558 28.342 ( 0.508 -0.616 1.277) 1.506 28.372 ( 0.877 1.583 0.615) 1.911 28.675 ( -11.448 1.525 -13.764) 17.968 28.791 ( 1.629 -7.096 0.976) 7.346 28.814 ( -1.840 0.579 0.714) 2.057 29.048 ( -2.401 -1.149 -5.196) 5.838 29.063 ( 0.751 1.730 -1.331) 2.308 29.414 ( 5.761 -7.618 -0.897) 9.593 29.544 ( 3.127 -2.179 2.653) 4.644 29.815 ( 7.926 5.994 5.649) 11.430 29.904 ( -3.075 0.191 0.469) 3.116 30.035 ( 3.062 -2.455 2.958) 4.915 30.324 ( 5.341 -3.145 3.590) 7.163 30.577 ( 5.278 -5.718 -13.290) 15.401 31.179 ( -1.042 7.908 -20.194) 21.712 31.449 ( 5.673 1.610 6.149) 8.519 31.565 ( -11.553 -1.064 -14.600) 18.648 31.824 ( -5.120 -6.728 4.698) 9.672 31.936 ( -5.428 -0.992 -2.475) 6.048 32.074 ( 6.062 2.114 4.556) 7.872 32.186 ( -5.372 0.265 -0.715) 5.426 32.427 ( -0.926 -3.968 -3.534) 5.393 32.637 ( -0.846 0.005 0.494) 0.980 32.951 ( 5.648 -2.873 1.537) 6.520 33.162 ( -3.128 -2.941 -0.061) 4.294 33.282 ( -2.312 -3.162 2.432) 4.610 33.432 ( -2.839 5.620 6.763) 9.240 33.662 ( 0.795 -1.359 -2.578) 3.021 33.945 ( -7.990 -2.093 10.135) 13.074 34.118 ( -1.041 -0.072 17.325) 17.356 38.556 ( -0.077 5.412 2.332) 5.894 38.704 ( -1.968 -5.148 -0.255) 5.517 38.747 ( 2.932 -2.103 2.052) 4.150 39.029 ( 15.680 19.559 -7.836) 26.264 39.458 ( -1.961 -4.506 1.502) 5.139 39.727 ( 5.099 4.815 0.464) 7.029 40.045 ( -0.854 4.563 12.660) 13.484 40.167 ( -0.723 5.560 -1.743) 5.871 41.519 ( -2.214 -5.935 0.896) 6.397 41.695 ( -0.435 -5.828 -6.374) 8.648 41.873 ( -1.290 8.234 2.610) 8.734 42.210 ( 6.542 4.643 -36.061) 36.942 42.596 ( -1.751 0.535 -2.483) 3.085 42.637 ( 0.650 -1.957 3.032) 3.667 43.159 ( -11.900 -7.672 13.457) 19.534 43.746 ( 8.052 -7.629 1.352) 11.174 ======================= Grid point 78 (36/84) ======================= q-point: (-0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -11.540 32.008 -0.119) 34.025 0.956 ( -19.915 32.034 2.229) 37.786 1.691 ( -24.570 40.828 22.777) 52.815 2.036 ( 0.293 11.557 3.612) 12.112 2.471 ( -2.226 1.478 3.198) 4.168 2.579 ( 1.065 7.810 3.226) 8.517 2.670 ( -2.596 0.152 0.890) 2.749 2.997 ( 2.667 -0.196 -0.976) 2.847 3.096 ( 0.515 -1.105 -3.555) 3.758 3.154 ( -2.507 -1.171 -0.070) 2.768 3.409 ( 8.097 0.306 -0.643) 8.128 3.494 ( 2.483 -1.635 0.639) 3.041 3.549 ( 1.891 -3.054 5.927) 6.931 3.643 ( 4.368 1.226 -3.654) 5.825 3.776 ( 5.919 -0.222 -0.319) 5.932 3.873 ( 4.173 -1.101 -0.848) 4.398 3.972 ( 1.071 -3.748 0.390) 3.918 4.172 ( 6.516 5.836 -3.319) 9.356 4.288 ( -7.001 -7.015 -4.661) 10.952 4.445 ( -4.164 1.451 1.729) 4.737 4.635 ( -5.626 0.183 -4.697) 7.331 4.746 ( 5.626 -12.403 -6.972) 15.300 4.847 ( 6.335 -7.867 1.454) 10.205 4.950 ( 1.455 2.882 -2.473) 4.067 5.059 ( -0.932 3.945 2.818) 4.937 5.146 ( -1.693 0.977 -6.439) 6.729 5.281 ( -1.001 0.902 2.765) 3.076 5.379 ( 1.624 8.604 0.533) 8.772 5.476 ( -2.819 2.271 2.322) 4.301 5.589 ( 1.474 2.967 7.084) 7.820 5.638 ( -13.233 -0.774 -4.978) 14.159 5.857 ( -0.719 3.682 -1.393) 4.002 5.913 ( -1.578 6.534 -2.773) 7.271 5.963 ( 3.564 7.984 -0.909) 8.791 6.161 ( -1.946 -3.580 0.106) 4.075 6.221 ( -3.105 0.583 -3.233) 4.521 6.392 ( 2.649 -1.247 -3.243) 4.369 6.639 ( 0.744 -6.931 -0.687) 7.005 6.688 ( -0.346 -2.416 0.373) 2.469 6.833 ( 6.709 4.385 -5.737) 9.856 6.951 ( 3.037 -5.141 -1.776) 6.230 7.063 ( -0.865 -5.923 3.995) 7.197 7.165 ( -1.421 2.349 -3.030) 4.089 7.260 ( 7.379 -15.428 1.998) 17.218 7.405 ( 7.679 -11.439 14.326) 19.876 7.589 ( 1.296 -10.894 0.615) 10.988 7.687 ( 0.540 -1.042 4.054) 4.220 7.739 ( -4.002 -4.052 -2.160) 6.091 7.939 ( 5.380 6.764 -3.933) 9.496 8.078 ( 4.376 0.385 -6.129) 7.540 8.351 ( -5.763 -3.584 2.809) 7.345 8.527 ( 1.484 1.675 4.547) 5.067 8.620 ( -4.380 1.164 -2.666) 5.258 8.804 ( 11.902 -2.242 -0.929) 12.147 9.118 ( 5.676 -0.958 1.619) 5.979 9.271 ( -5.952 -0.980 -6.989) 9.233 9.319 ( -0.952 -10.284 -1.421) 10.425 9.425 ( 1.006 1.695 9.275) 9.482 9.441 ( -5.375 6.498 -6.009) 10.355 9.500 ( -6.747 1.203 -3.702) 7.790 9.799 ( -3.020 -9.887 -1.443) 10.438 9.855 ( 1.708 1.491 3.376) 4.066 10.043 ( -5.937 0.534 -3.594) 6.961 10.233 ( 0.906 9.274 -2.110) 9.554 10.282 ( -3.439 10.937 2.506) 11.735 10.493 ( -2.161 -2.316 2.607) 4.102 10.609 ( 0.830 -2.838 6.247) 6.911 10.659 ( -0.282 -0.508 -0.722) 0.927 10.854 ( 3.527 6.030 2.238) 7.335 10.860 ( 0.832 4.917 2.768) 5.704 11.193 ( 5.460 -9.655 1.247) 11.162 11.437 ( 5.685 0.395 -0.625) 5.733 11.603 ( 5.918 -0.057 -3.203) 6.730 11.743 ( 2.791 -5.514 3.818) 7.264 11.929 ( 2.079 -0.784 4.010) 4.584 12.055 ( -1.102 9.024 0.418) 9.101 12.303 ( -1.609 -5.688 -1.623) 6.130 12.419 ( -1.872 -4.979 -1.701) 5.584 12.552 ( -4.702 4.683 -0.191) 6.639 12.707 ( 1.430 1.126 -1.685) 2.480 12.728 ( -3.250 -4.319 -0.534) 5.431 13.081 ( 6.074 5.160 0.843) 8.015 13.128 ( -2.222 3.296 -2.709) 4.811 13.202 ( 3.473 0.152 1.338) 3.725 13.332 ( 2.435 0.089 2.202) 3.284 13.463 ( -4.571 -0.035 0.587) 4.609 13.537 ( 0.225 0.533 -1.436) 1.548 13.750 ( -5.467 3.116 2.534) 6.784 14.026 ( 0.147 4.031 -0.149) 4.036 14.352 ( 2.594 -0.838 4.567) 5.319 14.438 ( -6.085 -2.079 -1.754) 6.665 14.766 ( 2.319 2.190 1.301) 3.445 15.053 ( -0.397 -2.034 -4.851) 5.275 15.144 ( 0.787 -4.337 1.139) 4.552 15.179 ( 4.407 1.945 -1.624) 5.084 15.411 ( -5.540 0.540 0.654) 5.605 15.458 ( -3.388 0.630 2.823) 4.455 15.673 ( -1.795 2.792 -7.572) 8.267 15.810 ( -1.627 4.205 0.364) 4.523 16.123 ( 3.370 -1.742 -5.578) 6.746 16.330 ( 0.324 1.181 2.081) 2.414 16.642 ( 2.449 -4.915 2.477) 6.024 16.707 ( 1.953 -4.972 3.763) 6.535 16.766 ( -2.000 -5.198 -2.279) 6.018 16.925 ( -2.038 7.388 0.792) 7.705 17.319 ( -1.846 2.184 2.138) 3.571 17.506 ( 8.592 8.192 -4.129) 12.569 17.602 ( 1.295 2.399 1.813) 3.274 17.665 ( 0.580 0.839 -0.600) 1.184 18.038 ( 1.500 1.123 3.550) 4.014 18.120 ( -0.950 -1.365 -2.963) 3.398 18.216 ( -4.954 -3.102 -0.439) 5.861 18.396 ( 1.218 0.873 0.148) 1.506 18.573 ( -7.175 4.979 -7.866) 11.753 18.679 ( 0.810 -4.801 -1.158) 5.004 18.920 ( 15.292 3.109 14.808) 21.512 19.110 ( -9.570 -11.611 -12.183) 19.360 19.113 ( -4.826 2.376 -4.420) 6.963 19.284 ( 0.839 0.217 -1.492) 1.726 19.319 ( 3.253 -1.315 3.368) 4.864 19.453 ( 0.411 0.285 -2.415) 2.466 19.590 ( 2.295 -0.671 -0.036) 2.391 19.746 ( -0.070 -1.864 2.237) 2.913 19.866 ( -2.219 0.347 3.566) 4.215 19.905 ( -0.670 5.342 -0.741) 5.434 20.043 ( -2.168 5.425 -1.896) 6.142 20.377 ( 4.307 6.898 5.015) 9.554 20.730 ( -2.753 -3.883 -4.252) 6.382 21.005 ( 0.969 -8.769 -0.376) 8.830 21.309 ( 0.519 -1.086 -1.015) 1.575 21.581 ( 2.458 6.972 4.065) 8.437 22.069 ( -0.885 -1.188 -0.395) 1.533 22.160 ( -2.543 0.997 -1.531) 3.131 22.164 ( -1.390 -3.283 0.750) 3.643 22.376 ( 0.026 -2.595 0.620) 2.668 22.436 ( -0.984 1.244 -0.557) 1.681 22.559 ( -1.427 -0.266 -0.196) 1.465 22.698 ( -0.525 -3.790 2.310) 4.469 23.132 ( 12.959 2.656 12.653) 18.306 23.558 ( -15.043 9.343 -13.343) 22.172 23.791 ( 9.964 -10.917 12.472) 19.339 24.774 ( -6.996 -2.452 -10.956) 13.228 24.902 ( 2.371 3.517 1.236) 4.418 24.975 ( 0.551 5.840 -0.488) 5.886 25.111 ( 1.378 -1.061 0.785) 1.908 25.517 ( -2.076 5.765 -1.009) 6.210 25.853 ( -13.608 -13.092 2.295) 19.022 26.470 ( 2.360 -8.746 0.534) 9.074 26.515 ( 5.152 -5.687 -2.428) 8.049 26.763 ( -5.213 -0.234 0.253) 5.224 27.175 ( 12.983 6.146 6.773) 15.880 27.305 ( 2.695 6.844 -9.725) 12.193 27.383 ( -2.481 0.315 -2.865) 3.802 27.619 ( -1.783 -6.719 -2.049) 7.248 27.756 ( 2.810 -0.779 2.726) 3.992 27.965 ( 0.659 5.703 1.952) 6.064 28.078 ( 1.598 1.254 1.409) 2.472 28.218 ( 0.824 0.186 3.274) 3.381 28.345 ( -0.170 9.385 -6.305) 11.308 28.356 ( -0.275 -0.088 -0.235) 0.372 28.407 ( -0.831 1.082 -1.409) 1.961 28.740 ( -3.144 -13.837 -5.681) 15.285 28.844 ( 0.844 1.584 0.702) 1.927 28.915 ( -4.895 -1.550 -1.095) 5.250 29.099 ( 2.503 -0.201 0.567) 2.575 29.211 ( -10.648 -0.393 -11.427) 15.625 29.573 ( 1.074 0.732 0.793) 1.522 29.827 ( -1.111 2.860 -2.330) 3.853 29.888 ( -1.226 -0.340 1.496) 1.963 30.025 ( 1.251 1.615 -3.173) 3.773 30.506 ( 13.100 8.531 0.132) 15.634 30.819 ( -11.492 1.779 -12.029) 16.731 30.829 ( 18.080 14.864 -5.296) 23.997 31.200 ( -6.142 -4.358 -9.113) 11.822 31.572 ( 0.335 -6.247 4.101) 7.481 31.801 ( -7.096 -7.981 3.131) 11.128 31.859 ( 0.751 8.512 2.149) 8.811 32.094 ( -3.355 3.140 -0.625) 4.638 32.259 ( 6.341 0.462 7.381) 9.742 32.325 ( -5.363 1.084 -4.288) 6.952 32.687 ( 0.746 -0.968 3.404) 3.616 33.021 ( 0.536 -9.496 2.132) 9.747 33.123 ( -0.939 -3.581 -0.311) 3.715 33.270 ( -6.031 -8.092 5.032) 11.277 33.422 ( -2.489 4.115 -3.867) 6.171 33.710 ( 3.254 5.794 6.540) 9.324 33.762 ( -3.884 -0.033 -8.411) 9.265 34.561 ( -10.739 -27.555 32.628) 44.037 38.530 ( 0.190 5.565 -4.500) 7.159 38.676 ( -0.741 -4.617 -1.599) 4.942 38.786 ( -0.063 -6.623 1.493) 6.790 39.279 ( 23.352 18.517 -12.315) 32.247 39.469 ( 5.881 4.176 0.534) 7.232 39.802 ( 2.672 5.847 -0.056) 6.429 40.073 ( 1.143 3.466 -1.226) 3.850 40.338 ( 1.413 5.126 3.753) 6.509 41.489 ( -3.510 -3.190 -5.905) 7.574 41.517 ( 1.001 -3.632 4.130) 5.590 41.876 ( -1.671 5.760 -1.867) 6.281 41.945 ( 3.444 14.146 -3.384) 14.947 42.552 ( -0.170 -0.195 -1.900) 1.917 42.663 ( -0.464 -2.378 0.710) 2.524 43.224 ( -9.306 -16.929 24.735) 31.385 43.848 ( 4.656 -8.319 -0.174) 9.535 ======================= Grid point 79 (37/84) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 1.656 31.835 4.026) 32.131 1.649 ( 2.992 25.687 19.281) 32.258 2.260 ( -0.207 7.774 1.120) 7.857 2.392 ( 3.243 15.877 7.347) 17.793 2.515 ( -1.372 0.388 7.031) 7.174 2.699 ( 2.081 0.412 7.201) 7.507 2.797 ( -4.490 -1.732 -2.486) 5.417 3.029 ( -3.521 1.696 -0.798) 3.989 3.058 ( 2.309 0.554 1.607) 2.867 3.107 ( 5.260 5.768 -3.387) 8.509 3.443 ( 0.388 -1.245 4.861) 5.033 3.539 ( -0.743 -0.785 3.204) 3.381 3.604 ( 1.815 10.729 0.093) 10.882 3.641 ( -1.774 -4.936 -2.745) 5.920 3.746 ( -1.766 -0.893 -1.713) 2.617 3.871 ( -0.022 -2.830 -0.607) 2.894 3.952 ( 2.272 -1.916 2.523) 3.899 4.200 ( 3.909 0.273 -3.282) 5.111 4.329 ( 3.478 1.592 -3.420) 5.131 4.434 ( -3.594 -0.147 3.885) 5.295 4.458 ( 1.423 -7.831 -5.898) 9.907 4.544 ( -4.357 9.000 -0.896) 10.039 4.877 ( 5.013 -0.885 -0.977) 5.184 4.914 ( -6.453 -2.851 -1.523) 7.218 5.021 ( -2.996 -0.829 -4.416) 5.401 5.133 ( -4.697 4.963 1.229) 6.943 5.306 ( 4.168 -1.896 0.020) 4.579 5.446 ( 2.594 10.224 -2.109) 10.757 5.497 ( -1.642 0.379 2.525) 3.036 5.625 ( -3.292 5.111 -1.146) 6.187 5.743 ( 0.454 -0.884 0.350) 1.054 5.880 ( -10.034 2.327 -8.650) 13.450 5.995 ( 6.328 3.568 -7.182) 10.215 6.043 ( 1.674 -4.269 5.137) 6.886 6.135 ( 1.667 1.852 -1.988) 3.188 6.242 ( 4.717 4.997 1.497) 7.033 6.352 ( -1.113 -3.254 2.069) 4.013 6.480 ( -0.827 -6.906 -0.016) 6.956 6.668 ( -0.661 -0.026 0.225) 0.698 6.721 ( -3.129 -9.899 -5.175) 11.600 6.883 ( 0.577 -1.188 -3.731) 3.958 7.022 ( -6.092 -4.843 -5.763) 9.684 7.039 ( -2.282 -4.824 -0.811) 5.398 7.169 ( -1.044 -0.046 2.407) 2.624 7.314 ( 5.599 -4.721 3.288) 8.028 7.541 ( 3.343 -3.981 -1.423) 5.390 7.612 ( 5.129 -2.188 5.628) 7.922 7.794 ( 5.171 -1.316 12.242) 13.354 7.880 ( -0.579 -13.745 -10.735) 17.450 8.069 ( -2.002 7.396 -3.899) 8.597 8.230 ( 6.112 -6.813 2.739) 9.554 8.426 ( -4.132 -6.103 1.366) 7.496 8.700 ( -1.360 3.863 -1.223) 4.274 8.869 ( 2.979 -2.058 3.668) 5.154 9.046 ( -11.793 -4.670 -7.810) 14.895 9.094 ( 2.944 -0.578 -0.666) 3.074 9.262 ( 0.624 -0.360 -2.873) 2.962 9.335 ( 1.801 -1.641 4.627) 5.230 9.519 ( 1.627 12.057 -9.379) 15.362 9.617 ( 0.447 1.655 1.141) 2.059 9.627 ( 3.653 -8.650 5.892) 11.085 9.905 ( 1.383 -2.222 -2.955) 3.947 10.044 ( -2.434 7.194 3.844) 8.512 10.231 ( 0.462 2.789 -4.654) 5.446 10.350 ( -7.017 -7.330 -0.662) 10.169 10.474 ( -4.632 9.199 0.402) 10.307 10.588 ( 2.598 -6.391 -1.975) 7.176 10.635 ( 0.362 1.840 -2.438) 3.075 10.899 ( -2.236 -1.068 3.650) 4.412 11.036 ( 2.066 -9.832 2.634) 10.386 11.164 ( 1.484 5.936 7.950) 10.032 11.455 ( 1.938 -1.485 -1.809) 3.038 11.555 ( -2.335 -4.665 0.290) 5.225 11.659 ( -0.885 -4.654 -0.968) 4.836 11.991 ( 2.567 3.249 1.679) 4.469 12.144 ( -0.807 -5.493 -3.839) 6.750 12.212 ( -2.997 6.310 2.545) 7.435 12.421 ( -3.155 1.793 4.473) 5.760 12.587 ( 2.723 7.304 -3.082) 8.383 12.707 ( 1.826 1.537 3.653) 4.364 12.732 ( 1.480 4.615 -4.664) 6.726 13.048 ( 1.131 -5.217 -2.660) 5.965 13.173 ( 1.504 -5.743 -1.258) 6.068 13.247 ( -0.112 4.492 -0.331) 4.505 13.355 ( -2.410 -5.967 3.080) 7.135 13.413 ( 2.105 -0.013 1.432) 2.546 13.616 ( 3.208 5.101 -0.554) 6.051 13.770 ( -5.334 3.376 -1.514) 6.492 14.179 ( 0.594 3.688 3.499) 5.118 14.270 ( -2.204 -2.472 2.570) 4.192 14.539 ( 1.956 6.318 1.306) 6.741 14.738 ( -4.357 0.172 -4.901) 6.560 15.041 ( 4.109 1.042 0.645) 4.288 15.145 ( -1.318 -0.648 2.970) 3.313 15.213 ( 1.625 -4.463 -1.081) 4.871 15.392 ( -5.362 2.690 -5.339) 8.031 15.467 ( 1.152 7.893 4.087) 8.963 15.747 ( 5.724 3.805 1.094) 6.960 15.910 ( 1.004 2.884 -2.993) 4.276 15.995 ( 0.026 -3.093 -4.302) 5.298 16.273 ( -2.307 -3.134 -2.806) 4.798 16.467 ( -2.981 -12.654 -2.810) 13.301 16.583 ( -0.295 0.306 1.461) 1.522 16.789 ( 2.259 -3.998 4.280) 6.277 17.070 ( 0.835 9.983 1.421) 10.118 17.392 ( 0.455 0.319 2.932) 2.984 17.529 ( 0.057 0.671 2.508) 2.597 17.646 ( -6.025 3.547 -5.440) 8.859 17.694 ( 1.600 3.658 1.890) 4.417 18.035 ( -2.768 -5.830 -6.574) 9.213 18.086 ( -6.562 4.357 -7.767) 11.062 18.097 ( -5.659 0.822 -4.807) 7.471 18.241 ( -6.833 -2.221 -5.261) 8.905 18.520 ( -0.273 -9.517 -7.360) 12.034 18.688 ( 2.839 3.905 1.267) 4.991 18.890 ( 17.049 0.709 15.279) 22.904 19.064 ( -3.200 -1.792 -3.202) 4.869 19.172 ( 1.461 3.047 2.788) 4.381 19.279 ( 2.247 -1.207 2.975) 3.919 19.448 ( 1.411 -4.738 6.780) 8.391 19.546 ( 6.811 -2.139 5.511) 9.019 19.664 ( 7.311 0.953 7.194) 10.301 19.809 ( 1.837 0.733 1.676) 2.592 19.852 ( -3.754 -0.941 3.281) 5.074 19.967 ( 1.664 3.802 -4.276) 5.959 20.126 ( 1.903 4.299 -0.876) 4.782 20.457 ( -7.298 1.027 -6.671) 9.941 20.748 ( -2.658 -4.950 -5.146) 7.619 20.836 ( 6.521 8.196 10.315) 14.700 21.411 ( 9.941 -5.205 11.571) 16.119 21.686 ( -5.242 9.511 -5.753) 12.290 22.064 ( 2.123 -2.095 2.336) 3.789 22.105 ( 2.592 -4.281 3.800) 6.283 22.200 ( -1.226 1.448 -1.986) 2.747 22.272 ( -2.347 -3.244 -0.408) 4.024 22.461 ( -1.165 2.939 -1.818) 3.647 22.544 ( -0.879 -3.896 1.346) 4.215 22.603 ( -1.866 -0.229 -1.819) 2.616 22.998 ( -16.117 3.134 -14.088) 21.635 23.290 ( -20.857 -10.548 -19.517) 30.449 23.987 ( 17.765 13.177 17.825) 28.407 24.836 ( 8.095 -3.259 5.049) 10.082 24.968 ( 1.976 -0.903 2.226) 3.111 25.059 ( -1.936 -2.587 -0.771) 3.322 25.226 ( 5.489 5.583 7.528) 10.861 25.557 ( -3.948 2.624 -1.784) 5.065 25.676 ( -0.085 1.608 1.324) 2.085 26.227 ( 0.907 -17.542 -6.632) 18.776 26.466 ( 2.033 0.403 2.776) 3.464 26.769 ( 4.541 -2.228 4.750) 6.939 27.105 ( -11.750 5.766 -11.965) 17.733 27.313 ( 1.749 -2.360 -0.800) 3.044 27.356 ( -0.962 -1.756 -3.080) 3.674 27.466 ( -1.727 -1.211 -2.052) 2.943 27.739 ( -2.893 0.286 -1.964) 3.508 27.941 ( -4.307 -0.728 -6.148) 7.542 28.144 ( 0.182 2.222 0.303) 2.250 28.300 ( -0.219 -0.158 0.751) 0.798 28.344 ( 2.271 1.047 1.872) 3.124 28.364 ( 1.527 -1.614 -2.320) 3.212 28.486 ( 10.657 0.360 9.290) 14.142 28.761 ( 4.717 -1.167 1.468) 5.076 28.877 ( -5.261 1.195 1.202) 5.527 28.995 ( 2.073 -0.590 3.185) 3.846 29.061 ( 8.062 -1.458 3.541) 8.925 29.256 ( 8.207 -1.889 2.874) 8.899 29.592 ( -3.210 2.172 -1.918) 4.324 29.808 ( -1.792 -3.654 -0.439) 4.093 29.944 ( -2.132 3.552 -4.320) 5.986 30.041 ( 2.526 5.295 -0.845) 5.927 30.345 ( -12.079 -1.304 -20.899) 24.174 30.399 ( -14.106 -0.849 -19.824) 24.345 31.156 ( 14.223 -0.180 0.948) 14.256 31.254 ( 9.181 -2.511 1.764) 9.681 31.602 ( -0.865 -2.356 9.309) 9.642 31.655 ( 1.352 -5.173 11.759) 12.917 32.023 ( -0.292 5.456 2.653) 6.074 32.183 ( -0.125 4.496 -1.317) 4.687 32.262 ( -2.687 1.852 2.378) 4.038 32.412 ( 2.911 -1.987 5.207) 6.288 32.704 ( -1.295 0.557 3.071) 3.379 32.833 ( -4.002 -5.831 6.760) 9.783 33.051 ( -0.169 -3.525 -0.102) 3.530 33.156 ( 0.438 -3.005 0.095) 3.039 33.370 ( -0.719 4.322 -11.633) 12.431 33.601 ( -0.646 -2.537 -10.591) 10.910 34.065 ( 2.070 8.617 13.577) 16.213 34.354 ( -10.001 -2.088 10.286) 14.498 38.540 ( -1.320 -3.181 -3.050) 4.601 38.585 ( 1.161 6.350 -7.213) 9.679 38.669 ( -0.250 -6.639 1.474) 6.806 39.150 ( 0.944 -9.686 -11.262) 14.885 39.798 ( 6.993 8.167 -4.786) 11.769 39.879 ( -3.919 5.612 -4.153) 8.006 40.229 ( 0.563 6.728 4.837) 8.305 40.286 ( -12.071 9.994 2.288) 15.837 41.430 ( 0.351 -2.789 2.844) 3.999 41.602 ( 4.647 -7.790 4.768) 10.248 42.001 ( 0.787 7.440 2.660) 7.940 42.262 ( 12.924 1.625 0.561) 13.037 42.534 ( 1.693 -0.340 -0.905) 1.949 42.616 ( 1.015 -1.212 -1.389) 2.104 43.125 ( -8.550 -6.289 16.395) 19.531 43.641 ( -1.096 -14.335 -2.168) 14.539 ======================= Grid point 80 (38/84) ======================= q-point: ( 0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 8.176 19.992 11.294) 24.374 1.927 ( 1.096 13.202 16.836) 21.423 2.251 ( 0.684 13.197 -3.687) 13.720 2.441 ( 1.871 9.920 -2.645) 10.435 2.553 ( -5.953 1.132 2.022) 6.388 2.713 ( -2.873 -5.540 0.803) 6.292 2.843 ( -0.095 4.854 9.174) 10.379 2.955 ( -2.178 -1.725 1.817) 3.320 3.083 ( -5.273 2.846 -1.638) 6.212 3.162 ( 4.502 -4.315 -0.811) 6.289 3.408 ( -8.268 -1.170 2.249) 8.648 3.465 ( -6.615 -2.157 -7.660) 10.348 3.539 ( -3.261 0.440 3.426) 4.750 3.627 ( -4.988 -0.454 -0.928) 5.094 3.731 ( -0.526 8.089 1.847) 8.314 3.973 ( 2.627 -0.539 4.645) 5.364 4.005 ( 3.400 1.617 4.829) 6.123 4.160 ( -1.571 -6.255 -5.497) 8.474 4.236 ( -0.293 -0.274 -10.150) 10.158 4.317 ( -3.756 -0.972 -6.296) 7.396 4.555 ( 4.594 1.797 4.858) 6.923 4.599 ( 4.782 6.815 6.426) 10.517 4.757 ( -4.518 -0.515 -5.604) 7.217 4.806 ( -1.875 6.707 -3.011) 7.587 5.051 ( 0.225 -5.686 6.125) 8.361 5.148 ( -1.375 3.624 4.682) 6.078 5.367 ( -3.145 9.214 -4.625) 10.779 5.397 ( 6.305 4.021 -2.600) 7.917 5.522 ( -2.659 0.204 0.649) 2.744 5.565 ( 4.615 3.736 -4.686) 7.564 5.662 ( 0.541 -5.506 -1.455) 5.721 5.799 ( 5.193 1.898 -3.243) 6.410 6.043 ( 2.783 -0.058 0.389) 2.811 6.119 ( 2.770 -4.073 1.110) 5.049 6.147 ( -0.916 3.788 0.728) 3.964 6.222 ( -4.590 2.702 -1.989) 5.686 6.422 ( -0.559 -11.158 0.483) 11.182 6.486 ( -0.094 -6.719 -4.227) 7.939 6.594 ( -0.700 -8.895 2.122) 9.171 6.637 ( -0.158 4.114 -0.164) 4.120 6.842 ( -0.418 -3.514 0.014) 3.539 6.908 ( -9.608 -3.325 -3.320) 10.695 6.990 ( 3.471 -3.301 2.388) 5.352 7.149 ( -4.546 -2.986 0.399) 5.454 7.426 ( 1.623 -1.162 3.392) 3.935 7.461 ( -5.053 -9.365 -6.737) 12.594 7.653 ( -2.484 2.248 -1.546) 3.690 7.862 ( 9.296 -1.445 -2.763) 9.805 8.000 ( -2.052 -2.136 -2.062) 3.609 8.040 ( 9.558 5.800 5.227) 12.342 8.312 ( -8.663 -4.930 -3.970) 10.729 8.441 ( 9.286 -0.169 5.736) 10.916 8.688 ( -4.404 -3.271 1.661) 5.731 8.824 ( -1.558 6.686 -1.788) 7.094 8.916 ( -3.326 -6.024 2.123) 7.201 9.064 ( -2.893 0.822 -0.632) 3.073 9.226 ( -0.843 2.028 -6.551) 6.910 9.403 ( 2.223 2.166 -5.763) 6.546 9.437 ( 3.318 -5.414 -0.561) 6.374 9.676 ( 6.384 -0.059 0.312) 6.392 9.747 ( 1.394 -2.403 2.351) 3.639 9.898 ( 3.780 -1.600 0.613) 4.151 10.080 ( 1.283 7.537 -1.667) 7.825 10.192 ( -5.808 -0.104 -4.025) 7.068 10.288 ( 3.607 -1.055 7.104) 8.037 10.458 ( -0.590 2.622 1.802) 3.235 10.513 ( -3.627 -0.974 -5.460) 6.627 10.679 ( 6.998 -2.684 0.054) 7.495 10.911 ( -2.629 -3.713 4.051) 6.092 11.067 ( -0.384 -5.028 -0.324) 5.053 11.238 ( -1.681 1.545 5.473) 5.930 11.457 ( -0.808 -0.068 -0.810) 1.147 11.537 ( -2.720 -5.402 1.175) 6.161 11.644 ( 1.659 -1.272 0.210) 2.101 11.976 ( -6.461 4.556 -3.166) 8.516 12.073 ( 0.740 -1.222 -0.330) 1.466 12.253 ( -1.316 2.928 6.599) 7.338 12.397 ( -3.639 1.939 2.021) 4.592 12.615 ( 3.317 5.341 -2.581) 6.796 12.672 ( 0.438 5.853 -5.823) 8.268 12.806 ( 3.115 0.403 4.622) 5.588 12.985 ( -1.049 0.777 -5.952) 6.094 13.129 ( -5.108 -0.606 -0.903) 5.222 13.250 ( -3.140 -5.814 0.728) 6.647 13.326 ( -0.578 0.873 0.809) 1.323 13.518 ( 2.090 -3.439 -0.171) 4.028 13.672 ( 4.591 2.216 3.280) 6.062 13.708 ( 3.289 1.179 -1.712) 3.891 14.190 ( -3.609 -1.579 3.328) 5.157 14.343 ( 4.124 2.056 4.994) 6.796 14.568 ( -0.440 1.179 -1.069) 1.651 14.610 ( -2.363 0.846 -3.027) 3.932 15.089 ( -0.135 5.424 2.056) 5.802 15.150 ( -2.561 -1.338 -2.122) 3.585 15.178 ( -1.703 -4.686 -1.347) 5.164 15.312 ( 2.051 -1.818 -1.445) 3.098 15.563 ( 1.550 8.044 4.953) 9.573 15.798 ( 2.008 6.795 -1.846) 7.321 15.841 ( -0.241 -3.364 -6.834) 7.621 15.958 ( 1.094 1.611 -4.527) 4.928 16.282 ( 2.657 -4.570 4.830) 7.160 16.357 ( -4.059 -8.620 -3.487) 10.146 16.683 ( 3.856 1.210 5.443) 6.779 16.749 ( -3.439 2.780 -3.295) 5.515 17.202 ( 5.609 3.570 7.747) 10.209 17.377 ( -6.105 7.093 -8.019) 12.324 17.456 ( 3.529 0.557 4.738) 5.934 17.646 ( -6.453 -3.059 -8.747) 11.292 17.733 ( 5.659 1.001 8.106) 9.936 17.832 ( -4.204 2.282 -2.829) 5.558 17.985 ( 4.035 -4.007 3.835) 6.859 18.061 ( -1.329 -2.672 -2.971) 4.211 18.180 ( -2.059 -2.471 1.128) 3.409 18.423 ( -0.633 -7.743 -6.904) 10.393 18.783 ( 4.786 2.081 4.591) 6.951 18.913 ( -4.779 0.143 -6.888) 8.385 19.217 ( 0.475 6.134 3.457) 7.057 19.237 ( -0.493 1.945 1.398) 2.445 19.327 ( 4.435 -1.802 6.008) 7.682 19.497 ( -1.003 -0.523 -4.720) 4.854 19.632 ( 2.944 2.967 5.040) 6.548 19.766 ( -1.609 -2.057 -0.934) 2.773 19.814 ( -2.814 -1.738 3.161) 4.575 19.873 ( -1.960 2.774 -0.689) 3.466 19.931 ( -1.292 1.198 -4.112) 4.474 20.170 ( 4.521 1.497 -0.090) 4.763 20.421 ( 1.817 -7.725 2.996) 8.483 20.587 ( -3.016 -4.818 -5.328) 7.791 21.164 ( 12.552 14.260 16.899) 25.426 21.412 ( -13.597 13.018 -13.765) 23.320 21.794 ( 14.934 -5.037 16.639) 22.918 21.970 ( -13.494 -4.733 -13.874) 19.924 22.197 ( 2.702 -0.798 3.876) 4.791 22.206 ( 2.281 -2.018 3.588) 4.706 22.263 ( 1.104 -2.358 2.682) 3.738 22.336 ( -5.336 -3.103 -4.996) 7.941 22.555 ( -2.293 0.673 -2.138) 3.206 22.571 ( 2.466 3.174 1.448) 4.272 22.769 ( 0.802 -2.454 0.672) 2.668 22.905 ( -2.056 -6.394 -6.178) 9.126 24.451 ( 14.868 11.450 15.487) 24.331 24.717 ( -9.328 10.478 -14.051) 19.855 25.001 ( -0.745 0.043 1.301) 1.499 25.020 ( -2.529 -0.875 -1.382) 3.012 25.491 ( -3.454 -5.864 1.977) 7.087 25.531 ( 7.590 -5.251 10.584) 14.043 25.729 ( 4.742 -0.109 1.879) 5.102 26.067 ( -5.840 -16.211 -13.544) 21.917 26.572 ( 2.781 4.406 6.954) 8.690 26.758 ( -8.013 2.457 -8.925) 12.243 26.978 ( 3.770 3.661 5.901) 7.902 27.246 ( 0.478 -1.843 -6.465) 6.739 27.335 ( -1.603 -2.429 -1.192) 3.145 27.458 ( 4.767 -0.632 -0.385) 4.824 27.702 ( -1.153 -0.749 1.910) 2.353 27.848 ( -0.330 -0.518 -3.265) 3.322 28.145 ( -0.150 2.215 0.475) 2.270 28.242 ( -2.321 0.981 -4.318) 4.999 28.310 ( -1.435 -1.683 -0.529) 2.274 28.381 ( 0.678 0.815 -0.384) 1.127 28.750 ( 1.085 -0.620 3.440) 3.659 28.813 ( -0.723 0.889 1.580) 1.952 28.854 ( 3.310 2.556 2.050) 4.658 29.010 ( 3.497 0.334 -1.183) 3.707 29.252 ( 1.095 -0.865 4.557) 4.766 29.350 ( -4.811 0.457 -6.150) 7.822 29.432 ( -13.517 -2.673 -6.154) 15.090 29.755 ( 12.850 -7.107 0.916) 14.713 29.880 ( -1.824 0.601 0.801) 2.081 29.970 ( -8.084 -1.330 -4.835) 9.513 30.085 ( -2.339 -0.094 -7.627) 7.978 30.249 ( 15.210 -4.851 -1.418) 16.028 31.218 ( -6.008 -0.114 -6.466) 8.827 31.300 ( 5.861 -2.639 -2.838) 7.027 31.750 ( -0.361 -0.428 2.793) 2.848 31.778 ( 8.128 1.361 7.281) 10.997 32.071 ( -1.924 5.987 3.070) 6.998 32.170 ( -0.031 4.294 0.127) 4.296 32.321 ( 1.790 -0.697 7.978) 8.206 32.435 ( -2.722 -1.581 -0.356) 3.168 32.778 ( 2.784 -0.457 6.862) 7.419 32.872 ( -1.271 -3.442 5.201) 6.365 33.025 ( -2.046 -0.426 -2.693) 3.409 33.184 ( 1.552 -3.111 1.663) 3.854 33.240 ( 1.330 1.530 -8.345) 8.588 33.480 ( 0.988 -6.237 -8.615) 10.682 34.208 ( -6.967 8.945 10.356) 15.356 34.373 ( 2.232 3.130 8.754) 9.561 38.471 ( -1.738 0.260 -3.601) 4.007 38.538 ( 1.507 1.082 -3.876) 4.297 38.686 ( -0.604 -6.276 2.371) 6.736 39.014 ( 0.508 -10.569 -11.669) 15.751 39.723 ( -8.233 9.715 -0.919) 12.767 39.825 ( 1.487 5.976 -2.089) 6.503 40.158 ( -8.176 14.638 5.200) 17.555 40.368 ( 4.529 6.103 5.521) 9.394 41.467 ( -0.871 -3.249 3.086) 4.565 41.643 ( 0.141 -6.955 -1.301) 7.077 42.062 ( 1.156 8.568 3.758) 9.427 42.402 ( 8.710 -1.319 -6.034) 10.678 42.565 ( 3.842 0.721 -0.779) 3.986 42.626 ( 4.335 0.315 -3.389) 5.511 43.206 ( -9.869 -12.314 16.629) 22.924 43.553 ( -5.790 -14.569 -3.514) 16.067 ======================= Grid point 81 (39/84) ======================= q-point: ( 0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -10.358 17.742 -13.127) 24.380 1.955 ( 4.145 7.437 5.590) 10.185 2.225 ( 0.052 13.081 -3.208) 13.469 2.363 ( -4.913 9.654 1.385) 10.920 2.472 ( -7.454 -5.091 2.802) 9.452 2.656 ( -6.818 -1.132 1.158) 7.007 2.864 ( -6.668 2.937 2.408) 7.674 2.936 ( -1.873 2.273 0.359) 2.967 3.035 ( 0.309 -4.152 0.961) 4.273 3.228 ( 1.740 -4.495 1.407) 5.021 3.330 ( -0.309 -4.575 -1.958) 4.986 3.372 ( -2.174 -3.786 2.707) 5.137 3.526 ( -5.847 0.294 2.669) 6.434 3.566 ( -1.615 -2.303 2.666) 3.876 3.707 ( -4.484 6.205 1.198) 7.749 3.917 ( -4.522 -3.081 -3.323) 6.402 4.038 ( -3.678 -4.853 -1.421) 6.253 4.109 ( -0.978 5.302 -6.362) 8.339 4.115 ( 1.110 -9.903 -5.526) 11.395 4.322 ( 3.902 2.847 3.914) 6.217 4.546 ( 0.363 -0.951 -5.976) 6.062 4.648 ( -0.055 4.693 1.764) 5.014 4.846 ( 2.528 2.773 11.321) 11.926 4.865 ( 5.438 1.786 3.426) 6.671 5.100 ( 1.016 4.046 -4.178) 5.904 5.198 ( 0.672 1.460 7.970) 8.130 5.318 ( -0.296 7.164 0.353) 7.179 5.423 ( 6.472 5.002 -5.082) 9.630 5.515 ( 6.442 2.521 0.420) 6.931 5.652 ( 4.217 -0.040 3.341) 5.380 5.666 ( 0.319 -2.377 -0.727) 2.506 5.891 ( 5.795 2.487 0.446) 6.322 6.052 ( -2.199 -4.664 -0.769) 5.214 6.083 ( -3.952 0.648 -1.453) 4.260 6.142 ( 0.486 -0.237 -2.499) 2.556 6.187 ( 2.486 -1.978 -1.791) 3.647 6.349 ( -3.049 4.633 -1.812) 5.835 6.428 ( 3.574 -2.555 -2.953) 5.294 6.600 ( -5.620 -4.750 -1.050) 7.433 6.660 ( -7.728 -8.719 1.393) 11.734 6.777 ( -1.697 -8.331 5.144) 9.937 6.868 ( -2.692 -1.665 3.648) 4.830 7.025 ( -7.741 0.484 -2.798) 8.246 7.120 ( 7.675 -3.733 2.188) 8.810 7.383 ( 1.177 -2.518 -0.830) 2.901 7.493 ( 0.987 -3.470 5.253) 6.372 7.568 ( -1.154 0.437 -5.427) 5.566 7.890 ( -1.959 -10.951 -4.197) 11.890 7.935 ( -4.241 -0.124 -5.377) 6.850 8.074 ( -3.332 -3.283 -4.453) 6.458 8.168 ( 2.991 9.860 -2.460) 10.593 8.574 ( 2.451 2.303 -0.598) 3.417 8.696 ( 1.545 -2.531 5.454) 6.208 8.853 ( -4.047 7.847 -0.062) 8.830 8.933 ( 4.152 -3.082 9.664) 10.960 9.048 ( -1.050 4.517 -1.592) 4.903 9.115 ( 0.341 -0.950 -4.561) 4.671 9.286 ( -2.852 -1.892 -8.094) 8.788 9.532 ( 3.244 -12.944 4.370) 14.042 9.733 ( 4.195 6.678 -1.742) 8.076 9.864 ( 4.805 -4.692 2.070) 7.028 9.942 ( 4.833 1.205 -3.615) 6.154 10.052 ( -2.894 6.229 -0.689) 6.903 10.129 ( 1.639 -1.165 4.163) 4.623 10.324 ( -5.938 1.384 -7.431) 9.612 10.435 ( 2.110 6.311 7.469) 10.004 10.526 ( 1.070 0.347 0.896) 1.438 10.822 ( 6.631 -2.897 2.049) 7.521 10.922 ( 1.891 -4.064 1.370) 4.687 11.049 ( -0.382 -2.139 -0.303) 2.194 11.283 ( -1.101 1.597 3.324) 3.849 11.419 ( -4.105 3.650 0.451) 5.512 11.495 ( -1.983 -3.053 2.257) 4.283 11.653 ( -0.976 -2.955 -4.314) 5.319 11.837 ( -6.074 2.997 -0.782) 6.818 12.104 ( 1.942 -3.132 0.720) 3.755 12.319 ( -0.183 6.288 5.482) 8.344 12.380 ( -1.361 1.630 0.321) 2.147 12.553 ( -3.131 2.638 -3.837) 5.611 12.642 ( -0.203 3.718 -2.240) 4.345 12.869 ( -1.044 2.327 -1.577) 2.998 12.923 ( 2.671 -3.389 -1.083) 4.449 13.039 ( -4.189 1.577 -1.122) 4.615 13.167 ( -6.906 -6.457 0.220) 9.457 13.357 ( 2.015 3.652 0.525) 4.204 13.454 ( -3.510 -0.810 -2.386) 4.321 13.772 ( 6.157 -0.437 -1.111) 6.271 13.856 ( 9.589 0.081 4.230) 10.481 14.170 ( -4.518 -2.014 2.069) 5.362 14.422 ( 1.970 -4.747 -1.254) 5.290 14.521 ( -0.252 4.002 0.873) 4.103 14.673 ( 5.132 0.660 6.008) 7.929 15.039 ( -3.381 2.496 -5.424) 6.861 15.088 ( -3.832 -2.865 1.340) 4.969 15.174 ( 0.565 1.136 2.281) 2.611 15.347 ( 2.936 -3.988 -1.351) 5.133 15.572 ( -4.121 2.874 0.522) 5.051 15.755 ( -3.543 2.505 -5.111) 6.705 15.797 ( 3.386 8.631 -2.778) 9.679 15.917 ( -0.225 2.816 -2.008) 3.465 16.310 ( 1.824 -6.991 -0.220) 7.229 16.401 ( 1.846 -8.599 3.841) 9.597 16.661 ( -0.207 -0.368 -1.011) 1.096 16.803 ( 1.528 -0.938 2.624) 3.178 17.220 ( -0.944 8.712 -4.818) 10.001 17.363 ( 3.852 9.309 5.747) 11.599 17.537 ( -0.825 -2.948 -1.053) 3.237 17.624 ( 4.224 1.943 6.984) 8.390 17.730 ( -0.674 -0.798 -2.353) 2.574 17.938 ( 2.070 -1.459 3.789) 4.557 18.046 ( 10.732 -3.888 6.047) 12.918 18.167 ( 3.771 0.480 1.797) 4.204 18.181 ( 2.096 -10.933 6.306) 12.794 18.348 ( -1.262 -4.751 -2.810) 5.663 18.767 ( -2.986 3.888 -5.388) 7.285 18.920 ( 2.430 -2.325 3.209) 4.648 19.078 ( -9.381 3.882 -7.806) 12.807 19.271 ( -6.421 4.794 -10.272) 13.028 19.305 ( 0.310 5.251 2.629) 5.881 19.413 ( -2.526 -4.222 1.615) 5.178 19.556 ( -8.651 -2.529 -7.059) 11.448 19.681 ( -10.207 -3.335 -4.875) 11.792 19.802 ( -2.709 1.935 -1.756) 3.764 19.817 ( 0.821 1.674 -1.210) 2.223 19.964 ( 4.150 -0.871 4.546) 6.217 20.186 ( 0.469 -3.660 -3.651) 5.191 20.416 ( 2.677 3.496 3.425) 5.579 20.645 ( 3.526 -4.710 2.987) 6.598 21.049 ( -11.013 10.199 -11.543) 18.935 21.527 ( 6.517 10.351 9.179) 15.293 21.541 ( -12.689 -4.954 -10.798) 17.383 22.082 ( 3.014 -4.347 1.850) 5.604 22.159 ( -1.056 -2.528 -1.037) 2.930 22.236 ( 0.485 -2.643 -0.244) 2.699 22.297 ( 2.024 1.697 2.350) 3.535 22.445 ( 4.465 2.755 2.943) 6.016 22.591 ( 4.761 -1.521 4.168) 6.508 22.640 ( 5.769 -2.354 4.445) 7.653 22.940 ( 10.374 0.462 7.967) 13.088 23.136 ( 21.904 -5.503 20.647) 30.600 24.298 ( -16.030 13.792 -21.125) 29.891 24.749 ( 4.438 5.364 4.251) 8.157 24.956 ( -3.309 -0.856 -1.638) 3.790 25.006 ( -1.196 -1.224 1.545) 2.306 25.333 ( -13.103 -1.925 -7.134) 15.042 25.676 ( 4.628 3.785 -1.720) 6.221 25.816 ( -1.234 -13.709 4.080) 14.356 25.862 ( 0.380 -4.374 -3.632) 5.698 26.559 ( -4.943 -3.317 -5.502) 8.105 26.630 ( -4.624 -3.503 1.485) 5.988 27.081 ( 4.722 8.527 1.669) 9.889 27.209 ( -0.802 5.780 2.351) 6.291 27.407 ( 8.986 -2.024 1.712) 9.369 27.523 ( 4.142 -0.332 -0.796) 4.231 27.758 ( 0.956 0.052 4.420) 4.523 27.850 ( 3.449 -3.635 1.557) 5.247 28.150 ( -1.034 2.399 0.381) 2.640 28.175 ( -0.572 -0.152 -0.713) 0.926 28.311 ( -0.107 -4.155 1.285) 4.350 28.377 ( 0.013 0.095 -0.995) 1.000 28.638 ( -9.726 -1.161 -12.593) 15.954 28.666 ( -10.273 -3.109 -7.294) 12.977 28.871 ( -2.479 2.506 -0.364) 3.544 29.019 ( -6.800 -0.496 -3.998) 7.904 29.106 ( -1.310 3.418 -3.570) 5.113 29.157 ( 2.311 0.597 2.487) 3.447 29.595 ( 7.727 4.971 6.577) 11.300 29.825 ( -3.294 -1.148 -2.569) 4.332 29.891 ( 6.345 1.275 3.111) 7.181 29.968 ( -2.237 -0.070 0.914) 2.418 30.069 ( 6.596 -1.145 8.120) 10.524 30.495 ( 12.863 -15.723 0.359) 20.317 31.025 ( -6.719 4.590 -8.105) 11.485 31.235 ( -4.110 -4.281 -5.563) 8.134 31.850 ( 8.780 2.328 3.706) 9.810 31.889 ( 1.226 1.973 -2.292) 3.263 32.078 ( -1.269 2.692 2.541) 3.914 32.137 ( -1.015 4.576 -0.184) 4.691 32.382 ( -2.627 -1.607 -1.442) 3.401 32.429 ( -0.871 -3.940 2.518) 4.756 32.885 ( 1.233 0.259 2.200) 2.535 32.889 ( 1.168 0.935 -3.486) 3.793 32.992 ( -0.845 -1.035 6.460) 6.597 33.195 ( 2.614 0.173 -4.988) 5.634 33.242 ( 0.575 -1.992 5.317) 5.707 33.427 ( 3.027 -10.897 -4.828) 12.297 34.181 ( -5.926 14.076 3.307) 15.626 34.573 ( 5.871 -3.282 8.973) 11.214 38.413 ( -1.341 1.113 -1.584) 2.355 38.526 ( 0.890 -1.555 -1.079) 2.091 38.711 ( -1.012 -4.266 3.430) 5.566 38.896 ( 0.651 -11.611 -7.633) 13.910 39.623 ( -5.762 7.739 0.650) 9.670 39.813 ( -1.146 4.385 -0.117) 4.533 40.132 ( -3.362 17.166 3.434) 17.825 40.489 ( 3.122 5.910 4.002) 7.790 41.472 ( -2.057 -3.911 1.225) 4.586 41.616 ( 0.221 -6.715 -2.581) 7.197 42.108 ( 0.601 9.251 0.938) 9.318 42.404 ( 3.681 -1.401 -5.875) 7.073 42.607 ( 6.508 1.887 -5.732) 8.875 42.661 ( 4.912 0.465 -1.521) 5.163 43.225 ( -11.928 -11.160 12.305) 20.451 43.406 ( -7.945 -12.875 -2.477) 15.330 ======================= Grid point 82 (40/84) ======================= q-point: ( 0.38 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -0.032 18.205 -6.949) 19.486 2.082 ( 4.752 0.418 3.051) 5.662 2.160 ( 2.973 10.895 -6.749) 13.156 2.355 ( -8.263 -5.842 3.784) 10.804 2.407 ( -4.676 -2.525 1.288) 5.468 2.518 ( -16.019 -5.760 6.616) 18.264 2.725 ( -9.705 3.674 -0.600) 10.394 2.909 ( 0.089 7.593 1.238) 7.694 3.118 ( 6.617 -5.176 1.169) 8.482 3.196 ( 2.785 -5.229 -10.816) 12.332 3.334 ( -3.507 0.676 0.335) 3.588 3.416 ( 5.573 -3.957 -0.794) 6.881 3.478 ( -2.975 -3.927 1.196) 5.070 3.575 ( -4.529 -1.105 1.371) 4.860 3.632 ( -5.424 3.648 -0.724) 6.576 3.785 ( -4.253 -3.204 -4.439) 6.932 3.993 ( -2.442 3.710 -1.509) 4.691 4.055 ( 0.714 -0.891 5.693) 5.806 4.132 ( 4.597 -8.425 -0.059) 9.597 4.390 ( 1.224 3.447 -0.413) 3.681 4.561 ( 3.388 0.656 2.167) 4.075 4.671 ( 1.016 1.655 -0.724) 2.073 4.884 ( -1.634 8.307 -1.372) 8.576 4.983 ( -0.203 -6.674 1.640) 6.875 5.093 ( 1.660 7.107 -0.410) 7.310 5.190 ( -3.027 -3.621 2.174) 5.196 5.424 ( 8.386 7.494 3.460) 11.766 5.477 ( 8.409 8.774 -5.373) 13.288 5.610 ( -1.102 -0.524 -2.003) 2.345 5.739 ( 4.740 3.350 10.176) 11.715 5.755 ( -2.327 -0.494 0.510) 2.433 5.896 ( 0.986 0.587 -5.425) 5.545 5.953 ( -0.706 -5.893 -3.545) 6.913 5.999 ( -6.024 -0.257 -0.054) 6.030 6.127 ( 3.946 -1.057 -1.409) 4.321 6.241 ( 1.735 -3.091 1.932) 4.037 6.299 ( -0.182 8.377 2.309) 8.692 6.485 ( -2.080 -9.434 -1.758) 9.819 6.527 ( -4.802 -1.293 -4.284) 6.564 6.567 ( 1.411 -0.313 4.647) 4.867 6.702 ( -5.854 -2.094 -3.429) 7.101 6.839 ( -4.933 4.758 1.652) 7.050 6.992 ( 2.509 -7.219 2.998) 8.210 7.165 ( -7.435 -5.678 -2.337) 9.643 7.311 ( -1.047 -6.204 -2.026) 6.610 7.572 ( 6.262 -9.799 0.136) 11.629 7.666 ( 3.757 -4.677 5.320) 8.018 7.780 ( 0.539 0.437 -3.897) 3.958 7.849 ( -0.248 -13.165 2.641) 13.430 8.048 ( -3.677 -3.624 -2.141) 5.589 8.108 ( 0.849 14.618 -3.555) 15.068 8.584 ( 1.695 5.334 -1.335) 5.754 8.746 ( -4.619 5.602 -3.982) 8.280 8.838 ( 3.241 -0.806 7.414) 8.131 8.981 ( 0.272 5.128 -5.294) 7.375 9.097 ( 1.837 -2.756 0.625) 3.371 9.138 ( 0.098 10.974 5.302) 12.188 9.226 ( 1.727 -9.900 6.992) 12.243 9.612 ( 1.296 -14.085 1.388) 14.213 9.781 ( 2.233 8.008 1.249) 8.407 9.833 ( -0.277 1.992 -3.809) 4.308 9.983 ( 5.577 -1.214 -3.404) 6.646 10.059 ( -1.845 -2.092 2.154) 3.525 10.194 ( -1.659 1.244 -2.618) 3.339 10.240 ( 0.553 0.495 6.862) 6.902 10.496 ( -1.894 8.448 1.500) 8.786 10.561 ( 1.888 6.436 2.537) 7.171 10.845 ( 0.033 -4.250 -0.688) 4.306 11.009 ( 3.706 2.061 -0.522) 4.272 11.044 ( 0.037 0.925 -0.138) 0.936 11.254 ( -3.128 4.070 -4.428) 6.779 11.378 ( -1.030 3.490 1.863) 4.088 11.467 ( -2.964 4.621 -6.388) 8.422 11.601 ( -0.689 -7.335 2.430) 7.758 11.781 ( -2.811 -0.777 1.320) 3.201 12.137 ( 1.620 -5.932 0.236) 6.154 12.322 ( -0.284 2.848 -5.665) 6.347 12.397 ( 1.582 5.051 4.407) 6.888 12.494 ( -3.411 -1.541 1.127) 3.909 12.602 ( -2.591 1.879 1.163) 3.406 12.820 ( 1.837 -3.004 -3.685) 5.097 12.949 ( -1.463 -2.830 0.348) 3.205 13.003 ( -1.221 2.591 1.675) 3.318 13.097 ( -2.015 -1.980 0.338) 2.845 13.368 ( -2.365 0.226 1.074) 2.607 13.417 ( 1.704 3.091 -0.682) 3.595 13.853 ( 7.491 -0.163 -1.899) 7.730 13.983 ( 2.512 1.901 0.116) 3.152 14.107 ( -4.790 -1.227 0.102) 4.945 14.416 ( 0.982 -8.169 -1.711) 8.404 14.565 ( 1.701 4.427 1.332) 4.926 14.802 ( 1.067 -1.338 -1.395) 2.208 14.957 ( 0.693 3.376 1.439) 3.734 15.035 ( -2.760 -4.963 -0.059) 5.679 15.246 ( -1.933 3.817 4.222) 6.011 15.314 ( 0.794 2.355 -1.940) 3.153 15.562 ( -0.677 -5.447 2.567) 6.060 15.628 ( -2.001 1.568 -3.883) 4.641 15.820 ( 2.485 6.844 0.044) 7.281 15.914 ( -0.617 8.652 2.564) 9.045 16.357 ( 2.742 -7.295 -0.250) 7.798 16.425 ( -0.902 -7.517 1.273) 7.677 16.712 ( 3.519 -3.950 2.119) 5.699 16.765 ( -3.395 -4.330 -4.230) 6.940 17.226 ( 3.696 9.438 -0.852) 10.171 17.459 ( -2.181 2.560 -3.175) 4.625 17.471 ( 0.765 3.105 2.837) 4.275 17.690 ( -0.176 5.535 0.035) 5.538 17.766 ( 2.295 0.018 0.176) 2.302 18.030 ( 1.900 -10.244 1.878) 10.587 18.183 ( 1.480 5.138 0.981) 5.436 18.257 ( 2.955 -6.089 1.804) 7.004 18.308 ( -0.797 -5.467 1.022) 5.618 18.453 ( 5.838 -2.480 7.205) 9.599 18.618 ( -4.166 -0.533 -3.856) 5.701 18.803 ( 5.658 -1.325 0.833) 5.870 19.006 ( -6.798 -2.384 -3.752) 8.123 19.143 ( -7.002 1.499 -6.640) 9.766 19.181 ( -0.240 3.287 0.999) 3.443 19.342 ( -5.163 0.208 -4.454) 6.822 19.400 ( -2.183 2.784 1.869) 4.001 19.543 ( -2.157 -3.366 -1.701) 4.345 19.759 ( -0.093 0.366 -0.910) 0.985 19.842 ( 0.819 2.154 2.593) 3.469 20.042 ( 1.721 -2.669 -0.284) 3.188 20.168 ( 0.959 -0.991 -0.464) 1.454 20.558 ( 4.461 1.719 5.514) 7.298 20.637 ( -4.087 5.831 -3.267) 7.835 20.870 ( -0.987 0.977 -2.301) 2.688 21.279 ( -3.921 -5.855 -4.070) 8.137 21.687 ( 0.912 7.745 1.886) 8.023 22.082 ( 0.546 -0.291 -0.593) 0.857 22.139 ( 0.043 -6.606 -1.376) 6.747 22.268 ( 1.368 -3.035 0.129) 3.331 22.330 ( 0.293 4.735 0.362) 4.758 22.496 ( 1.593 4.045 0.624) 4.392 22.619 ( 0.718 0.041 -0.022) 0.720 22.789 ( 3.676 -7.752 -1.490) 8.708 23.276 ( 7.353 3.921 6.710) 10.699 23.688 ( 6.251 -5.283 4.158) 9.180 23.906 ( 3.504 12.255 -1.007) 12.785 24.526 ( -13.244 -6.060 -10.101) 17.725 24.905 ( -1.079 0.112 -0.292) 1.123 24.997 ( -1.591 -1.737 -0.125) 2.359 25.187 ( -1.414 11.267 -0.415) 11.363 25.710 ( 3.098 3.109 -1.635) 4.684 25.842 ( 0.616 -6.560 2.336) 6.990 25.889 ( -1.567 -3.905 5.622) 7.022 26.449 ( -1.082 -7.893 -4.100) 8.960 26.584 ( -3.445 -9.721 3.627) 10.932 27.138 ( 1.224 10.423 1.229) 10.566 27.265 ( -1.019 10.225 2.949) 10.690 27.509 ( 4.983 1.487 -2.602) 5.814 27.594 ( 5.058 -2.793 1.952) 6.099 27.761 ( -2.689 1.496 -0.418) 3.105 27.994 ( 3.980 -4.761 4.211) 7.499 28.159 ( 0.534 1.284 1.887) 2.344 28.186 ( 1.269 0.391 1.047) 1.691 28.308 ( -4.494 -4.918 -3.593) 7.569 28.344 ( -1.368 -2.657 -1.192) 3.217 28.355 ( -2.883 -6.277 -2.881) 7.484 28.467 ( -2.738 1.354 -0.769) 3.149 28.845 ( -1.056 3.863 1.009) 4.130 28.923 ( -1.843 0.446 -0.278) 1.916 29.107 ( 1.150 4.400 -1.089) 4.676 29.264 ( 2.776 0.302 1.431) 3.138 29.635 ( -0.048 3.337 -1.296) 3.580 29.801 ( 1.671 -2.929 1.246) 3.595 29.883 ( -3.440 0.884 -1.572) 3.885 30.026 ( 2.417 0.506 0.648) 2.553 30.358 ( 2.431 0.427 8.468) 8.821 30.576 ( 2.799 -6.436 2.674) 7.511 30.815 ( -4.442 7.952 -4.543) 10.179 31.193 ( 2.432 -5.495 -0.185) 6.012 31.841 ( 0.905 2.237 -5.515) 6.019 31.975 ( 5.067 -9.012 -2.167) 10.564 32.133 ( 5.951 3.716 3.529) 7.853 32.160 ( 0.437 4.363 -0.126) 4.387 32.307 ( -7.873 -1.071 -5.788) 9.830 32.338 ( -2.481 -1.580 -0.733) 3.032 32.839 ( 1.442 1.342 -5.524) 5.864 32.939 ( 1.206 -0.540 0.827) 1.559 33.056 ( -1.776 -2.979 4.486) 5.670 33.194 ( 1.932 2.252 0.292) 2.982 33.332 ( -0.742 -0.982 8.981) 9.065 33.430 ( 3.459 -12.530 -2.743) 13.285 34.118 ( -3.326 15.819 -3.125) 16.464 34.691 ( 0.148 -8.955 0.803) 8.993 38.402 ( -0.208 2.393 1.959) 3.100 38.533 ( 0.346 -2.574 0.777) 2.711 38.723 ( -1.705 -3.342 1.050) 3.896 38.872 ( 2.197 -11.018 0.994) 11.279 39.551 ( -3.313 6.055 -2.028) 7.194 39.789 ( -1.819 2.548 -0.273) 3.143 40.131 ( -1.768 17.883 2.087) 18.091 40.536 ( -0.319 5.236 -0.546) 5.274 41.447 ( -1.220 -3.757 -0.727) 4.017 41.596 ( 1.426 -6.978 -2.261) 7.472 42.103 ( 0.570 8.966 -2.491) 9.323 42.399 ( 3.311 -2.114 -2.669) 4.749 42.616 ( 7.702 2.666 -9.258) 12.335 42.715 ( 3.470 0.280 -0.701) 3.551 43.181 ( -11.182 -8.398 9.121) 16.696 43.296 ( -5.917 -9.955 2.012) 11.754 ======================= Grid point 83 (41/84) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 19.568 13.346 12.681) 26.867 2.093 ( -3.547 7.565 -3.853) 9.201 2.216 ( -14.149 -1.549 0.910) 14.263 2.290 ( -5.456 6.064 1.246) 8.252 2.304 ( 15.828 -0.821 6.493) 17.128 2.533 ( 0.350 -10.701 9.048) 14.018 2.663 ( 0.631 5.275 -0.253) 5.319 2.935 ( -1.419 3.811 1.158) 4.228 3.071 ( 3.660 -7.625 -11.983) 14.668 3.125 ( -2.475 -1.351 -6.378) 6.973 3.261 ( -3.309 2.353 -4.237) 5.869 3.417 ( -7.684 -2.440 -2.748) 8.518 3.453 ( -1.012 -6.111 -2.280) 6.601 3.464 ( -2.126 -6.346 -3.198) 7.417 3.569 ( 4.357 2.969 -0.852) 5.341 3.791 ( 1.437 -5.080 5.789) 7.835 4.003 ( 3.037 5.981 1.408) 6.854 4.156 ( 1.357 -1.719 5.215) 5.656 4.211 ( 2.651 -4.072 1.671) 5.138 4.359 ( -0.228 5.032 -2.998) 5.862 4.637 ( 0.413 0.139 -2.286) 2.327 4.657 ( 2.121 -1.890 2.771) 3.968 4.810 ( -5.355 2.857 -3.567) 7.040 4.912 ( -4.754 -1.409 -1.228) 5.108 5.102 ( -0.062 3.184 -0.115) 3.187 5.220 ( -1.676 -4.338 2.733) 5.394 5.462 ( -7.734 6.614 -4.261) 11.033 5.541 ( 1.589 1.074 -1.936) 2.725 5.569 ( 2.654 2.025 -1.517) 3.667 5.666 ( 5.104 4.640 -1.999) 7.182 5.732 ( -5.281 3.476 -0.051) 6.322 5.814 ( -2.179 0.919 -4.387) 4.983 5.945 ( 0.825 -6.007 0.653) 6.098 6.093 ( 3.280 -3.825 -0.753) 5.095 6.201 ( 4.368 -0.701 2.103) 4.899 6.267 ( -2.472 -3.799 3.311) 5.613 6.365 ( 1.980 2.779 1.775) 3.846 6.398 ( 1.784 0.516 -1.773) 2.568 6.485 ( 1.518 -1.779 5.234) 5.733 6.582 ( 3.210 -5.574 -4.585) 7.899 6.738 ( -8.566 0.598 -0.710) 8.616 6.751 ( 3.179 -1.782 4.162) 5.532 6.962 ( -9.563 -2.867 -3.245) 10.497 7.083 ( 6.607 -8.237 -1.293) 10.638 7.375 ( 3.639 -2.465 3.650) 5.713 7.528 ( -8.738 -1.143 -8.693) 12.378 7.630 ( 2.546 -5.312 0.854) 5.952 7.881 ( 2.036 -13.262 6.213) 14.787 7.992 ( 1.897 5.145 8.373) 10.009 8.006 ( 6.086 0.834 -0.011) 6.143 8.138 ( 5.651 8.454 -0.935) 10.212 8.570 ( -0.187 -1.542 -3.835) 4.138 8.675 ( -2.977 4.839 1.326) 5.834 8.840 ( -1.588 0.562 -8.316) 8.485 8.953 ( -2.188 6.180 3.400) 7.385 9.096 ( -0.323 1.707 0.627) 1.847 9.240 ( 0.002 6.686 8.900) 11.132 9.417 ( 3.426 -8.393 13.430) 16.204 9.606 ( -2.500 -10.617 1.138) 10.966 9.760 ( -1.812 3.747 -2.196) 4.706 9.885 ( 5.280 5.963 2.140) 8.247 10.003 ( -1.331 3.068 -2.656) 4.270 10.057 ( 0.167 -2.700 1.837) 3.270 10.191 ( 5.253 0.770 -0.160) 5.311 10.268 ( -3.497 -4.123 3.486) 6.433 10.485 ( -8.448 5.121 -5.997) 11.557 10.550 ( 0.276 8.169 5.180) 9.677 10.854 ( -0.488 3.678 0.934) 3.826 10.983 ( -2.304 3.086 -2.366) 4.520 11.051 ( 0.793 0.368 -1.016) 1.341 11.167 ( 2.623 2.404 -6.877) 7.743 11.304 ( -4.245 4.694 -3.960) 7.465 11.420 ( 2.420 1.049 -3.653) 4.506 11.606 ( 1.206 -3.062 -0.592) 3.344 11.795 ( 0.217 -3.719 3.686) 5.241 12.119 ( -2.310 -1.506 -4.561) 5.330 12.279 ( 0.806 -0.368 0.277) 0.928 12.412 ( -4.123 -5.756 -0.632) 7.108 12.527 ( 3.777 3.058 4.445) 6.586 12.621 ( 1.323 -0.480 3.241) 3.533 12.851 ( 5.630 -4.521 -1.187) 7.317 12.913 ( -2.242 1.032 0.027) 2.468 13.016 ( -0.955 -0.959 2.605) 2.935 13.108 ( 1.135 1.680 1.188) 2.350 13.352 ( -1.020 0.602 1.157) 1.656 13.453 ( 1.895 3.636 1.648) 4.419 13.917 ( -1.704 4.517 -3.703) 6.084 13.944 ( 1.717 0.996 -1.329) 2.388 14.054 ( -2.096 -3.023 -0.881) 3.783 14.404 ( 0.342 -3.560 -4.227) 5.537 14.546 ( -2.604 0.866 -1.617) 3.185 14.696 ( -3.507 -0.702 -4.908) 6.073 15.013 ( 0.919 -1.150 1.160) 1.874 15.071 ( 1.817 -0.849 4.669) 5.081 15.157 ( -2.131 4.884 -3.286) 6.261 15.412 ( -1.093 -3.932 0.032) 4.081 15.537 ( 2.630 -0.288 6.559) 7.073 15.722 ( 5.991 -1.359 6.399) 8.870 15.898 ( 3.974 2.994 4.726) 6.862 15.940 ( -1.862 10.721 3.442) 11.413 16.346 ( -1.214 -4.901 -3.535) 6.164 16.406 ( -2.764 -6.749 -1.314) 7.410 16.656 ( -1.302 -3.778 -3.355) 5.217 16.784 ( 1.205 -4.343 -0.311) 4.518 17.236 ( 1.007 9.575 -1.543) 9.751 17.395 ( -1.795 4.560 -1.691) 5.184 17.502 ( -0.915 1.879 -1.904) 2.827 17.651 ( -3.167 1.043 -2.918) 4.431 17.738 ( 0.369 -1.106 -0.963) 1.512 17.933 ( -4.902 0.160 -6.873) 8.444 18.160 ( 1.704 -2.251 0.501) 2.867 18.218 ( -3.502 -4.907 -2.785) 6.641 18.267 ( -13.080 -7.336 -12.484) 19.512 18.332 ( -1.453 -6.111 0.609) 6.311 18.770 ( 3.103 2.591 5.062) 6.478 18.936 ( 5.135 1.968 8.267) 9.929 18.998 ( 0.686 0.994 0.449) 1.288 19.234 ( 5.984 1.715 4.938) 7.946 19.254 ( 2.116 2.028 -0.269) 2.943 19.305 ( 8.133 -2.007 9.319) 12.531 19.423 ( 5.440 -0.149 4.538) 7.085 19.538 ( 3.975 -4.000 2.725) 6.263 19.778 ( 1.649 1.916 1.638) 3.012 19.887 ( -0.592 0.841 2.900) 3.077 20.015 ( -2.426 -1.239 -2.058) 3.414 20.194 ( 2.039 0.700 0.632) 2.246 20.445 ( -5.832 7.259 -7.182) 11.760 20.684 ( -0.966 -4.095 0.982) 4.321 20.916 ( 7.382 3.700 4.531) 9.419 21.352 ( 10.375 -5.599 8.251) 14.390 21.602 ( -8.040 9.129 -7.972) 14.544 22.101 ( 1.471 -0.274 1.047) 1.826 22.140 ( 1.206 -6.867 -0.211) 6.976 22.254 ( -1.828 -4.155 -2.274) 5.077 22.306 ( -2.153 5.462 -2.496) 6.380 22.508 ( -1.412 2.454 -0.958) 2.989 22.623 ( -0.777 0.209 -0.581) 0.992 22.685 ( -5.829 -4.261 -11.743) 13.786 23.049 ( -9.325 1.492 -11.932) 15.217 23.388 ( -23.359 -7.910 -25.863) 35.737 24.174 ( 17.769 15.488 19.199) 30.401 24.761 ( 12.407 -6.064 14.548) 20.059 24.894 ( 0.474 0.701 -0.214) 0.873 24.970 ( -0.727 -0.334 -1.104) 1.363 25.148 ( 0.939 8.385 -0.144) 8.439 25.684 ( -1.700 -3.735 -5.674) 7.002 25.904 ( 1.227 -4.739 6.718) 8.313 25.952 ( -1.663 -2.075 7.160) 7.638 26.449 ( 4.048 -2.863 0.551) 4.989 26.625 ( -0.231 -10.894 5.200) 12.074 27.169 ( 0.692 6.045 1.748) 6.330 27.198 ( -5.111 7.907 -3.029) 9.890 27.542 ( 2.762 3.107 -1.369) 4.377 27.621 ( -5.536 -4.400 -2.368) 7.457 27.720 ( 0.889 0.888 -0.310) 1.294 27.914 ( -6.443 -4.181 -5.879) 9.672 28.129 ( 0.118 3.308 0.124) 3.312 28.182 ( -0.122 0.719 0.838) 1.111 28.309 ( -1.243 -4.271 -0.618) 4.491 28.388 ( 0.786 -3.158 1.794) 3.716 28.507 ( 10.257 1.185 12.427) 16.157 28.594 ( 11.393 -1.489 12.196) 16.756 28.841 ( -0.966 3.038 1.022) 3.347 28.941 ( 1.705 -1.616 2.481) 3.417 29.103 ( 0.728 3.947 -1.432) 4.261 29.214 ( -4.352 0.687 -4.586) 6.360 29.632 ( 1.035 4.854 -0.625) 5.003 29.834 ( -0.381 -2.819 2.578) 3.839 29.910 ( 2.155 0.102 2.120) 3.025 30.024 ( 0.435 -0.713 -2.710) 2.836 30.108 ( -15.795 5.097 -10.792) 19.797 30.611 ( -1.837 -9.579 -2.204) 10.000 31.044 ( 10.982 2.996 16.347) 19.920 31.245 ( 3.052 -2.372 4.580) 5.993 31.805 ( 4.168 2.616 -6.391) 8.066 32.004 ( -7.317 4.118 -7.007) 10.936 32.029 ( 0.629 -6.238 -4.599) 7.776 32.121 ( -2.527 -0.098 -2.546) 3.589 32.272 ( 4.024 -2.106 0.150) 4.545 32.353 ( 0.919 -2.047 -0.573) 2.315 32.797 ( 2.272 2.041 -3.944) 4.988 32.898 ( -3.361 0.476 -4.551) 5.677 33.077 ( -1.545 -4.349 3.402) 5.734 33.244 ( -0.287 1.393 4.390) 4.614 33.410 ( -0.967 -3.882 4.514) 6.032 33.489 ( 2.039 -5.956 7.479) 9.776 34.002 ( -2.022 14.673 -8.898) 17.279 34.578 ( -6.659 -9.262 -10.235) 15.326 38.456 ( 0.499 2.485 5.715) 6.252 38.561 ( 0.625 -0.749 3.217) 3.361 38.700 ( -1.284 -5.510 -0.661) 5.696 38.965 ( 3.630 -5.486 5.963) 8.879 39.473 ( -1.147 4.878 -4.902) 7.010 39.755 ( -0.055 1.041 -2.799) 2.987 40.126 ( -2.249 15.637 1.967) 15.920 40.469 ( -2.563 4.321 -5.839) 7.703 41.433 ( 0.222 -3.378 -0.212) 3.392 41.602 ( 2.353 -7.198 -1.642) 7.749 42.077 ( 0.499 9.081 -2.626) 9.466 42.429 ( 4.068 -3.587 -2.063) 5.803 42.606 ( 7.495 3.820 -10.091) 13.137 42.726 ( 0.231 0.980 -2.056) 2.289 43.138 ( -11.236 -6.026 9.907) 16.147 43.299 ( 1.534 -9.476 4.063) 10.424 ======================= Grid point 84 (42/84) ======================= q-point: (-0.38 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -14.863 12.119 -2.381) 19.325 2.010 ( -12.498 13.533 -2.756) 18.627 2.232 ( 0.402 13.837 -0.669) 13.859 2.291 ( 17.443 3.741 11.582) 21.270 2.511 ( 1.366 6.907 -3.196) 7.733 2.626 ( 0.776 1.894 1.532) 2.556 2.735 ( 8.059 0.179 0.182) 8.063 2.821 ( -0.721 -4.493 -3.002) 5.451 3.000 ( -4.651 1.432 -1.113) 4.992 3.130 ( 1.699 -6.120 -5.367) 8.316 3.173 ( 11.057 -9.211 -0.825) 14.415 3.297 ( -3.749 -4.016 1.539) 5.705 3.438 ( 3.068 -2.869 -2.547) 4.913 3.469 ( 5.135 -4.491 0.395) 6.833 3.652 ( 2.945 3.639 2.613) 5.361 3.872 ( 2.428 -4.728 -3.384) 6.300 4.042 ( -1.170 5.459 1.541) 5.792 4.185 ( -1.203 -0.881 1.098) 1.852 4.251 ( 4.938 -2.213 1.510) 5.618 4.363 ( 2.966 4.764 -3.309) 6.515 4.616 ( -0.978 -0.922 -0.098) 1.348 4.681 ( -4.073 -1.881 0.087) 4.487 4.723 ( -0.033 -4.331 2.262) 4.886 4.868 ( 0.081 -1.974 0.657) 2.082 5.083 ( -4.905 -0.098 0.448) 4.927 5.154 ( -4.928 1.348 0.790) 5.170 5.367 ( -2.646 0.431 4.207) 4.988 5.508 ( -2.593 5.461 -1.882) 6.332 5.544 ( -7.094 -1.947 -6.938) 10.112 5.658 ( 6.276 -2.432 3.116) 7.417 5.763 ( 4.555 4.808 1.933) 6.899 5.861 ( 5.913 3.890 2.317) 7.447 5.908 ( 1.209 -8.587 -10.627) 13.716 6.035 ( -5.171 -3.574 -1.195) 6.399 6.230 ( -4.983 -6.206 2.926) 8.480 6.267 ( 2.035 5.048 -2.547) 6.009 6.363 ( 1.661 -11.447 -3.072) 11.968 6.527 ( 7.068 5.817 0.413) 9.163 6.562 ( 3.287 -0.821 3.493) 4.866 6.605 ( -0.262 -3.001 -0.149) 3.016 6.693 ( -0.070 -4.687 5.850) 7.497 6.809 ( 1.175 1.942 5.987) 6.403 6.884 ( 2.219 0.297 -2.063) 3.044 7.138 ( 0.815 -2.654 -4.300) 5.118 7.297 ( -2.648 -1.951 -6.202) 7.021 7.409 ( 3.309 -6.248 -0.176) 7.073 7.746 ( 1.328 5.639 6.389) 8.625 7.969 ( 0.520 -5.355 2.979) 6.150 8.023 ( -0.494 5.137 -5.897) 7.836 8.152 ( 2.840 7.733 0.067) 8.239 8.205 ( 2.450 -0.052 5.872) 6.363 8.444 ( -1.336 -8.088 -8.735) 11.979 8.637 ( -5.004 3.249 -0.085) 5.967 8.792 ( 3.985 -4.869 -0.037) 6.292 8.955 ( -3.905 5.264 4.058) 7.709 9.089 ( -1.355 1.945 1.262) 2.685 9.344 ( -0.751 3.900 8.099) 9.021 9.565 ( -3.039 -2.306 3.066) 4.894 9.620 ( -0.986 -4.177 7.893) 8.984 9.733 ( -0.004 3.638 2.169) 4.235 9.848 ( -6.718 -1.060 -4.092) 7.937 10.008 ( 0.511 8.391 -0.105) 8.408 10.108 ( 2.768 0.771 4.232) 5.115 10.211 ( -8.715 -2.628 -6.862) 11.399 10.281 ( 0.961 0.291 3.181) 3.336 10.331 ( 7.048 -2.774 0.307) 7.580 10.595 ( -2.074 2.284 2.985) 4.293 10.805 ( -6.934 8.581 -1.173) 11.095 10.915 ( -4.209 0.097 -1.568) 4.493 11.018 ( 0.092 -2.792 -2.915) 4.038 11.141 ( 1.380 3.872 -3.071) 5.131 11.265 ( 4.870 3.918 -1.875) 6.526 11.449 ( 5.405 -4.497 0.972) 7.098 11.625 ( 5.672 5.658 -7.657) 11.082 11.840 ( -2.233 -5.307 3.847) 6.924 12.032 ( 1.168 1.244 -1.949) 2.591 12.288 ( -3.591 -3.290 1.567) 5.116 12.360 ( -1.572 -7.922 0.252) 8.080 12.606 ( 2.759 0.886 1.138) 3.113 12.712 ( 3.672 3.630 2.721) 5.837 12.852 ( -2.954 -0.758 -1.662) 3.473 12.940 ( 5.478 -6.197 -1.715) 8.447 13.057 ( 2.769 0.005 2.429) 3.684 13.143 ( 0.445 1.252 2.297) 2.654 13.364 ( -0.177 2.935 1.428) 3.269 13.504 ( 1.939 4.048 1.694) 4.798 13.794 ( -6.768 4.094 -1.936) 8.143 13.895 ( -5.420 2.176 -3.194) 6.656 14.075 ( 2.982 -4.126 1.885) 5.429 14.281 ( -1.855 5.647 -9.639) 11.325 14.563 ( 2.054 -3.484 3.217) 5.168 14.615 ( -1.580 -1.852 -1.582) 2.903 15.043 ( 1.058 1.556 0.911) 2.091 15.123 ( 0.894 3.012 -2.508) 4.020 15.145 ( 1.408 -0.888 4.550) 4.845 15.342 ( -0.936 -3.783 -3.798) 5.442 15.672 ( -2.948 2.136 6.417) 7.377 15.874 ( 2.658 -4.667 3.466) 6.392 15.955 ( 0.005 6.251 5.181) 8.119 16.018 ( 1.267 1.317 4.579) 4.930 16.288 ( -5.262 -2.602 -6.388) 8.676 16.294 ( 2.124 -3.476 -1.020) 4.199 16.664 ( 1.961 -3.329 0.840) 3.954 16.722 ( -2.058 -0.503 -3.958) 4.489 17.245 ( -4.099 5.464 -3.836) 7.834 17.310 ( 2.816 4.261 -0.151) 5.109 17.523 ( 1.353 1.145 3.782) 4.177 17.626 ( 0.046 -0.886 3.350) 3.465 17.734 ( -1.595 2.836 -5.619) 6.493 17.774 ( -2.416 0.345 -4.134) 4.801 18.033 ( -2.496 -3.074 -1.612) 4.276 18.111 ( -2.728 -0.444 -3.904) 4.784 18.194 ( -3.738 -8.423 1.696) 9.370 18.377 ( 6.537 -8.835 2.339) 11.237 18.870 ( 5.302 2.681 4.952) 7.734 18.874 ( -5.175 1.979 -3.289) 6.443 19.139 ( 4.795 2.917 4.261) 7.047 19.185 ( -1.940 2.124 -4.173) 5.068 19.317 ( 0.469 -3.879 -0.571) 3.949 19.452 ( 0.991 -4.477 -5.533) 7.186 19.619 ( 8.709 2.905 13.849) 16.616 19.761 ( -0.614 -2.766 0.771) 2.936 19.835 ( 0.493 2.628 1.692) 3.164 19.897 ( -4.828 5.295 -3.126) 7.818 19.931 ( 3.209 3.048 7.057) 8.330 20.193 ( -1.241 4.998 -5.542) 7.566 20.407 ( 4.927 -5.776 5.900) 9.615 20.587 ( -4.261 -6.681 -6.838) 10.466 21.199 ( 15.470 9.919 11.627) 21.746 21.261 ( -14.776 11.756 -15.716) 24.567 21.760 ( 19.404 -5.954 18.453) 27.431 21.962 ( -16.329 -5.898 -16.318) 23.826 22.176 ( 2.011 -1.082 1.646) 2.815 22.211 ( 0.212 -1.228 -1.205) 1.734 22.236 ( -0.097 -1.480 -1.577) 2.165 22.302 ( -5.886 -2.829 -9.081) 11.185 22.573 ( 0.009 1.537 1.099) 1.890 22.599 ( -1.898 3.140 -2.265) 4.312 22.860 ( -7.213 -4.434 -4.818) 9.741 22.945 ( -2.482 -4.020 -4.167) 6.300 24.632 ( 7.117 12.401 9.072) 16.934 24.672 ( -7.235 9.484 -4.144) 12.628 24.955 ( 0.709 -0.743 0.262) 1.060 24.970 ( 1.832 -0.073 0.755) 1.983 25.355 ( 9.367 -5.020 7.429) 12.967 25.518 ( -5.819 -6.845 -10.718) 13.985 25.959 ( -7.173 -1.282 3.581) 8.119 26.070 ( 6.724 -7.654 8.923) 13.543 26.544 ( 0.701 1.915 1.150) 2.341 26.655 ( 3.835 -4.852 1.324) 6.325 27.088 ( -6.001 0.967 -0.728) 6.122 27.243 ( 4.159 -0.700 3.333) 5.376 27.457 ( -6.997 -3.581 -3.219) 8.494 27.559 ( 0.904 2.429 -0.382) 2.620 27.696 ( -4.150 -2.604 -0.533) 4.928 27.848 ( 2.036 0.417 -0.166) 2.085 28.141 ( -0.022 3.760 0.731) 3.830 28.219 ( 2.953 3.476 1.905) 4.943 28.301 ( -0.359 -2.144 1.374) 2.572 28.384 ( -0.061 0.354 -0.695) 0.782 28.722 ( 0.699 1.111 2.976) 3.253 28.841 ( 2.734 3.018 -0.189) 4.076 28.886 ( -1.061 -2.911 4.477) 5.445 29.022 ( 3.248 -1.774 0.993) 3.832 29.132 ( 4.803 0.349 1.698) 5.106 29.165 ( 5.663 -0.003 2.226) 6.085 29.554 ( -10.107 8.613 -1.396) 13.353 29.784 ( 2.309 2.905 -2.480) 4.463 29.901 ( 2.216 -1.965 4.384) 5.291 29.974 ( -4.121 -0.082 -1.171) 4.285 30.090 ( 4.693 -1.679 7.127) 8.697 30.491 ( -2.069 -16.968 -10.654) 20.142 31.259 ( 1.873 3.711 8.762) 9.698 31.479 ( 4.137 -4.711 14.984) 16.243 31.652 ( -3.763 4.723 -15.731) 16.851 31.874 ( -6.917 -0.764 -10.299) 12.430 31.959 ( 3.169 4.542 3.856) 6.749 32.117 ( 0.352 -1.231 -2.457) 2.770 32.255 ( -4.464 -3.073 -7.055) 8.897 32.327 ( 4.385 -4.119 -0.763) 6.064 32.751 ( -4.983 1.583 -4.951) 7.201 32.845 ( 3.469 0.291 0.136) 3.484 33.084 ( -3.179 -5.110 3.078) 6.760 33.263 ( -1.872 -3.248 0.708) 3.815 33.472 ( -0.075 2.039 8.433) 8.676 33.648 ( -0.113 -1.581 13.253) 13.347 33.868 ( 1.340 10.641 -8.677) 13.796 34.300 ( -7.207 -5.165 -15.390) 17.762 38.528 ( -0.106 -2.555 4.749) 5.393 38.639 ( 0.940 1.723 4.835) 5.219 38.680 ( -1.212 -1.504 2.167) 2.903 39.108 ( 7.779 1.020 3.509) 8.595 39.414 ( 1.084 3.114 -3.513) 4.818 39.731 ( 4.133 -0.037 -4.995) 6.484 40.125 ( -2.607 11.568 4.175) 12.571 40.347 ( -2.356 3.924 -6.764) 8.167 41.438 ( -0.355 -3.240 0.644) 3.322 41.609 ( 1.749 -7.387 -2.830) 8.101 42.055 ( -0.839 9.281 -0.600) 9.338 42.424 ( 4.919 -3.441 -11.362) 12.850 42.599 ( 4.182 3.597 -4.109) 6.878 42.679 ( -1.848 1.197 -3.166) 3.857 43.096 ( -11.040 -3.667 9.943) 15.303 43.417 ( 6.360 -10.887 3.980) 13.222 ======================= Grid point 85 (43/84) ======================= q-point: (-0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -15.707 22.552 -7.049) 28.373 1.760 ( -14.348 21.501 -2.416) 25.961 2.233 ( -1.291 12.235 2.941) 12.649 2.369 ( -3.579 8.578 -6.919) 11.588 2.522 ( -0.332 -3.353 -1.555) 3.711 2.555 ( -0.103 4.302 -0.118) 4.305 2.789 ( 0.238 0.550 -0.725) 0.940 2.876 ( 4.660 0.731 -0.027) 4.717 3.106 ( 3.366 -4.444 2.625) 6.162 3.183 ( 16.325 -0.762 0.047) 16.343 3.273 ( 2.074 1.241 -0.881) 2.572 3.356 ( 2.962 -7.041 3.814) 8.538 3.481 ( 0.669 6.425 -2.628) 6.974 3.577 ( 9.132 0.773 6.010) 10.959 3.677 ( 2.970 0.905 -4.151) 5.184 3.808 ( 0.735 0.802 -1.375) 1.753 4.019 ( -4.290 0.491 -1.049) 4.444 4.250 ( 3.912 -2.842 -1.843) 5.175 4.313 ( 3.338 3.187 -4.408) 6.382 4.377 ( 3.205 -2.229 5.626) 6.848 4.548 ( -6.388 -1.013 -1.858) 6.730 4.654 ( -1.049 -4.060 1.889) 4.599 4.750 ( -2.254 -4.995 -0.524) 5.505 4.941 ( 4.994 -2.021 2.844) 6.092 5.012 ( -0.963 0.401 3.948) 4.083 5.197 ( -0.227 0.768 7.833) 7.874 5.356 ( -4.503 0.089 -7.522) 8.767 5.433 ( 1.735 1.651 1.086) 2.630 5.479 ( -0.285 4.281 6.782) 8.025 5.699 ( -5.641 5.970 -9.058) 12.228 5.797 ( -8.500 -6.392 -2.329) 10.887 5.819 ( 8.192 -3.098 0.513) 8.773 5.954 ( 5.958 3.426 1.389) 7.012 6.057 ( 5.824 -4.614 4.964) 8.936 6.192 ( -2.332 -5.156 0.092) 5.659 6.247 ( -1.902 7.306 -0.043) 7.549 6.338 ( 1.769 -6.077 -4.895) 8.002 6.553 ( -3.463 -4.716 1.017) 5.938 6.625 ( 1.625 -0.170 1.639) 2.314 6.680 ( 8.206 4.653 0.470) 9.445 6.766 ( 5.923 -6.521 0.596) 8.830 6.894 ( 3.131 -3.626 0.698) 4.841 6.957 ( 5.200 -0.973 0.464) 5.310 7.070 ( 0.356 -1.598 3.557) 3.916 7.304 ( 2.934 -1.950 -1.640) 3.886 7.541 ( 7.228 -6.792 3.789) 10.617 7.719 ( -9.702 2.923 -16.932) 19.733 7.780 ( -6.924 2.110 1.559) 7.404 8.013 ( 1.780 1.775 0.471) 2.558 8.097 ( -4.873 -1.001 -0.415) 4.992 8.227 ( 2.551 -7.354 -4.239) 8.863 8.416 ( -4.921 -2.931 -1.541) 5.931 8.653 ( 7.173 1.490 4.346) 8.519 8.861 ( 1.006 3.614 -1.313) 3.974 8.933 ( -2.025 -3.179 4.168) 5.619 9.118 ( 1.953 -1.171 2.445) 3.341 9.384 ( -4.394 1.898 3.611) 5.996 9.486 ( -7.379 1.122 -1.354) 7.585 9.660 ( -4.503 -0.448 -0.518) 4.555 9.680 ( -4.773 4.478 -1.425) 6.698 9.796 ( -1.670 3.204 5.359) 6.463 9.957 ( -6.253 0.300 -10.905) 12.574 10.020 ( -1.865 -2.458 2.140) 3.755 10.197 ( 4.283 -0.641 1.934) 4.743 10.414 ( 4.963 -4.155 1.096) 6.565 10.437 ( 1.219 1.102 12.001) 12.113 10.605 ( 0.052 2.596 -0.579) 2.660 10.662 ( -7.651 4.126 0.308) 8.698 10.853 ( -1.879 -0.742 0.188) 2.029 10.968 ( 0.023 0.810 -5.640) 5.697 11.144 ( -0.256 5.369 0.473) 5.396 11.368 ( 6.917 0.944 0.956) 7.046 11.535 ( 2.372 -4.659 -2.071) 5.623 11.582 ( 5.339 0.155 -3.216) 6.235 11.862 ( 2.258 0.304 1.100) 2.530 12.125 ( 6.030 3.452 3.957) 7.996 12.234 ( -2.697 -4.814 -0.987) 5.605 12.341 ( -3.993 -7.776 2.686) 9.145 12.646 ( 3.704 0.063 -3.008) 4.772 12.744 ( -2.395 7.165 1.558) 7.713 12.775 ( -2.799 -1.157 -2.981) 4.249 12.988 ( 5.958 -8.555 -4.105) 11.205 13.143 ( 4.430 0.959 2.079) 4.986 13.172 ( 0.514 -2.052 1.118) 2.393 13.359 ( -2.476 4.050 0.519) 4.775 13.537 ( 1.555 4.747 -1.512) 5.219 13.668 ( -8.474 4.300 -1.154) 9.572 13.814 ( -3.070 1.433 2.945) 4.489 14.144 ( 0.672 0.556 2.289) 2.449 14.179 ( 1.617 3.774 -3.179) 5.193 14.570 ( -1.418 1.721 -1.225) 2.544 14.677 ( 5.039 -2.032 3.911) 6.694 15.067 ( 0.711 1.190 0.020) 1.387 15.110 ( 1.216 3.143 -1.774) 3.808 15.178 ( -1.384 -2.580 -0.819) 3.040 15.355 ( 4.628 -0.015 3.147) 5.597 15.593 ( -8.833 4.419 -0.652) 9.898 15.831 ( -4.724 -4.415 -6.091) 8.883 15.998 ( -3.592 7.150 -1.381) 8.120 16.041 ( 1.099 -3.481 1.926) 4.128 16.252 ( 3.615 -1.192 4.144) 5.627 16.394 ( 5.347 -7.996 4.099) 10.456 16.593 ( -2.744 -0.470 -2.592) 3.804 16.765 ( 1.228 -5.391 -0.084) 5.530 17.115 ( -3.722 8.109 -1.523) 9.051 17.443 ( 5.841 2.261 3.989) 7.426 17.465 ( -5.800 4.252 -3.260) 7.896 17.552 ( 0.801 2.223 -0.201) 2.372 17.741 ( -4.554 -1.451 -4.547) 6.597 17.917 ( 12.589 -0.019 11.107) 16.788 18.044 ( 4.480 2.287 6.758) 8.424 18.127 ( 3.435 -5.906 3.296) 7.586 18.162 ( -0.073 -2.842 1.500) 3.215 18.517 ( 6.046 -10.944 1.663) 12.613 18.781 ( -3.493 4.968 -0.693) 6.112 19.020 ( 5.078 -0.168 4.175) 6.576 19.098 ( -5.943 2.832 -7.407) 9.910 19.195 ( -7.083 0.657 -4.651) 8.499 19.255 ( -0.351 -1.958 -1.172) 2.309 19.355 ( -0.665 -4.900 -3.818) 6.248 19.560 ( -4.923 2.676 -9.344) 10.895 19.748 ( -7.891 -1.534 -11.251) 13.828 19.758 ( -2.296 -0.144 1.183) 2.587 19.848 ( -1.109 0.446 0.203) 1.213 20.037 ( -0.123 6.425 2.201) 6.793 20.182 ( 2.063 4.827 0.815) 5.312 20.382 ( 0.723 1.444 -1.015) 1.908 20.676 ( 8.288 -8.492 7.695) 14.143 20.908 ( -10.071 7.620 -9.758) 15.959 21.482 ( -12.408 -3.789 -15.189) 19.975 21.564 ( 11.052 10.300 8.350) 17.261 22.096 ( -2.392 -2.278 -2.109) 3.919 22.127 ( -3.182 -3.289 -3.372) 5.685 22.205 ( 6.529 -6.328 7.437) 11.747 22.235 ( 0.840 1.857 1.618) 2.602 22.419 ( 7.717 -2.868 7.215) 10.947 22.547 ( -0.794 1.562 -0.628) 1.861 22.602 ( -0.611 1.539 0.820) 1.848 22.857 ( 6.118 0.328 8.140) 10.188 23.096 ( 14.921 -9.204 15.883) 23.656 24.254 ( -19.657 12.560 -14.611) 27.525 24.888 ( 3.362 3.744 2.782) 5.750 24.955 ( -0.929 -0.581 -2.558) 2.783 25.000 ( -0.373 -4.918 -2.370) 5.472 25.233 ( -5.101 1.978 -8.585) 10.180 25.549 ( 3.454 -0.075 5.572) 6.556 25.845 ( -9.845 -0.941 -0.147) 9.891 26.246 ( 4.928 -13.913 2.308) 14.939 26.444 ( -3.041 1.246 -4.489) 5.563 26.813 ( 2.567 -5.190 -0.733) 5.836 27.017 ( 1.161 6.200 7.104) 9.500 27.338 ( 4.497 -3.655 0.056) 5.795 27.399 ( -1.684 -3.486 1.844) 4.288 27.525 ( -5.645 -5.011 0.578) 7.570 27.693 ( 3.273 3.819 2.756) 5.735 27.907 ( 3.926 -0.222 2.536) 4.679 28.142 ( -0.303 3.833 -0.297) 3.857 28.273 ( 0.882 4.281 -1.179) 4.527 28.326 ( 1.161 -1.233 1.481) 2.250 28.400 ( 1.188 1.245 0.943) 1.962 28.660 ( -8.453 -3.481 -8.051) 12.181 28.728 ( -5.374 1.882 -7.262) 9.228 28.854 ( -0.503 3.276 1.875) 3.808 29.023 ( -1.774 -0.702 -1.251) 2.281 29.080 ( -1.287 0.539 -5.654) 5.824 29.304 ( 3.136 -3.781 -2.945) 5.727 29.551 ( 1.195 2.021 3.025) 3.829 29.863 ( -6.288 -4.345 -1.509) 7.791 29.921 ( 6.251 4.250 5.820) 9.540 29.999 ( 3.136 -0.639 1.513) 3.540 30.290 ( 11.537 -0.246 7.650) 13.845 30.493 ( 9.965 -4.201 11.015) 15.436 31.272 ( -4.118 3.423 -12.623) 13.712 31.455 ( -4.724 -0.868 -4.104) 6.317 31.519 ( -8.006 -3.816 -12.201) 15.084 31.663 ( -8.837 -8.534 5.541) 13.477 31.985 ( -1.235 4.867 -1.807) 5.336 32.111 ( 5.385 1.380 2.278) 6.007 32.205 ( 0.346 1.929 0.226) 1.973 32.366 ( 1.483 -2.511 -1.167) 3.141 32.649 ( -1.969 1.441 -0.820) 2.574 32.875 ( -2.422 -5.207 2.276) 6.177 33.067 ( -2.804 -3.722 1.753) 4.979 33.222 ( -2.297 -4.230 -1.558) 5.059 33.602 ( -0.401 9.483 7.150) 11.883 33.673 ( 1.075 2.885 -2.091) 3.722 33.932 ( -1.943 0.005 3.291) 3.822 34.087 ( 1.303 -2.823 0.915) 3.241 38.574 ( -0.172 -4.967 2.859) 5.734 38.642 ( 0.153 -6.770 -1.249) 6.885 38.725 ( -1.931 9.678 2.726) 10.239 39.269 ( 6.995 -1.915 0.313) 7.259 39.450 ( 11.754 9.025 -1.677) 14.914 39.778 ( 7.928 0.366 -1.370) 8.054 40.161 ( -1.767 6.971 5.282) 8.923 40.269 ( -0.835 4.394 1.350) 4.672 41.434 ( -1.269 -3.054 0.879) 3.422 41.560 ( -0.911 -7.296 -7.100) 10.221 42.036 ( -2.478 8.427 1.191) 8.864 42.284 ( 1.725 2.182 -17.200) 17.423 42.601 ( -1.806 0.135 -2.761) 3.302 42.620 ( 0.591 0.369 -0.653) 0.955 43.069 ( -9.924 -1.066 10.594) 14.555 43.553 ( 6.393 -12.194 1.942) 13.904 ======================= Grid point 86 (44/84) ======================= q-point: (-0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -1.129 32.791 5.202) 33.220 1.573 ( -8.182 30.323 -1.898) 31.464 2.222 ( -6.526 9.079 9.682) 14.791 2.283 ( 2.836 17.242 -3.377) 17.797 2.491 ( -2.600 1.624 3.730) 4.828 2.613 ( 2.004 -2.576 1.110) 3.447 2.826 ( 2.372 5.445 2.628) 6.494 2.946 ( 4.852 -0.866 -0.335) 4.940 3.127 ( -3.842 0.431 1.086) 4.016 3.168 ( -2.810 6.697 -7.635) 10.538 3.348 ( 7.538 -5.186 -0.876) 9.191 3.474 ( 3.235 -2.097 4.941) 6.267 3.509 ( 4.987 1.952 3.042) 6.159 3.674 ( 2.084 2.698 -2.761) 4.387 3.787 ( 4.427 0.891 -0.890) 4.603 3.855 ( 3.792 -1.041 4.692) 6.122 3.918 ( -4.760 -1.833 -1.015) 5.201 4.200 ( 0.551 -3.268 -5.897) 6.764 4.304 ( 3.018 6.344 -3.089) 7.675 4.463 ( -2.583 -1.794 -0.519) 3.187 4.482 ( 0.877 -8.664 1.314) 8.806 4.647 ( -6.377 0.584 -1.234) 6.522 4.730 ( 8.957 -4.182 1.022) 9.938 4.987 ( -3.179 0.131 1.830) 3.671 5.137 ( 3.582 0.565 2.429) 4.364 5.180 ( -3.894 3.563 -5.442) 7.581 5.279 ( -1.191 0.283 1.001) 1.581 5.455 ( 0.038 0.324 -0.115) 0.346 5.552 ( -2.167 4.807 5.031) 7.288 5.571 ( -3.960 -1.821 -4.080) 5.970 5.695 ( 1.870 3.422 4.339) 5.833 5.923 ( 5.322 2.621 1.248) 6.062 6.019 ( -1.056 1.665 1.015) 2.218 6.112 ( 0.541 3.356 -7.548) 8.278 6.176 ( 1.376 -0.818 -1.088) 1.936 6.214 ( -2.377 5.270 -3.024) 6.525 6.321 ( -0.904 -1.046 4.223) 4.443 6.514 ( -3.114 -5.654 0.917) 6.520 6.663 ( 2.419 -0.306 -1.653) 2.946 6.766 ( 5.338 -5.156 -4.555) 8.707 6.863 ( 9.010 -2.481 -2.785) 9.751 6.980 ( 1.839 -4.732 3.745) 6.309 7.067 ( 4.483 -4.908 -1.272) 6.768 7.163 ( 6.907 -9.765 7.363) 14.045 7.260 ( -4.184 2.660 -2.978) 5.783 7.441 ( -1.171 -2.988 -4.298) 5.365 7.626 ( -1.140 -3.479 1.792) 4.076 7.685 ( -6.505 -1.677 1.134) 6.813 7.999 ( -2.301 -8.279 -4.098) 9.520 8.099 ( 4.839 2.475 -2.106) 5.829 8.189 ( -0.465 -8.171 -3.091) 8.749 8.409 ( 1.556 -7.686 4.889) 9.241 8.749 ( 0.905 3.798 1.173) 4.077 8.815 ( -2.929 4.858 -1.247) 5.808 8.999 ( 6.947 -8.743 -0.769) 11.194 9.205 ( 4.966 -0.200 3.113) 5.864 9.307 ( -11.857 -5.690 -1.786) 13.272 9.339 ( -4.673 3.290 -1.685) 5.958 9.560 ( -2.855 3.349 -0.069) 4.401 9.620 ( -5.145 -0.648 -1.199) 5.322 9.695 ( -3.792 8.882 -8.189) 12.662 9.871 ( 1.129 -0.113 2.619) 2.854 10.056 ( -0.713 -3.715 2.222) 4.387 10.265 ( 2.060 3.957 -0.892) 4.549 10.457 ( -5.588 -1.089 -3.246) 6.553 10.493 ( -0.409 -1.529 5.160) 5.397 10.579 ( -2.045 3.309 2.987) 4.904 10.653 ( -0.127 1.498 0.339) 1.541 10.870 ( 2.202 -0.975 0.195) 2.416 10.951 ( 2.281 -4.149 3.604) 5.950 11.108 ( -2.645 6.279 0.126) 6.815 11.440 ( 3.305 0.101 -0.929) 3.435 11.554 ( 1.955 -5.481 0.180) 5.822 11.655 ( 2.654 -4.916 1.006) 5.676 11.922 ( 4.106 2.152 0.725) 4.692 12.163 ( -2.508 -3.389 0.675) 4.270 12.248 ( 2.814 3.237 -2.934) 5.197 12.356 ( 0.546 -1.055 6.114) 6.229 12.623 ( -0.956 1.084 -2.828) 3.176 12.695 ( -3.110 4.595 -0.725) 5.596 12.746 ( 1.410 3.083 -1.193) 3.594 13.019 ( 5.378 -9.372 -3.234) 11.279 13.176 ( 1.293 -5.166 -2.178) 5.753 13.229 ( 2.772 3.220 1.842) 4.631 13.328 ( -1.405 0.746 0.675) 1.728 13.474 ( -6.857 0.965 -0.653) 6.955 13.594 ( 1.203 6.998 -1.596) 7.278 13.826 ( -3.137 3.739 3.202) 5.837 14.137 ( 0.716 6.347 0.321) 6.395 14.252 ( 0.966 -4.823 4.401) 6.601 14.525 ( -1.665 7.284 -0.597) 7.496 14.785 ( 2.815 -0.216 1.259) 3.091 15.023 ( -1.108 -1.924 -3.493) 4.139 15.126 ( -0.379 3.887 2.574) 4.678 15.177 ( 3.828 -2.352 -1.184) 4.646 15.449 ( -4.035 1.294 2.207) 4.778 15.500 ( -0.593 6.395 1.897) 6.696 15.688 ( 0.508 -0.806 -6.922) 6.987 15.926 ( -0.759 6.135 -1.916) 6.472 16.051 ( -0.764 -4.030 -2.313) 4.709 16.326 ( 0.185 -2.432 0.009) 2.439 16.484 ( 1.734 -9.955 0.614) 10.124 16.629 ( 4.310 -3.441 6.907) 8.839 16.674 ( -5.515 -5.407 -4.779) 9.082 17.094 ( -1.573 9.669 0.363) 9.803 17.365 ( -1.258 2.318 -1.030) 2.831 17.486 ( -1.011 -0.711 3.463) 3.677 17.616 ( -2.724 -3.949 0.257) 4.804 17.808 ( 12.425 10.068 4.602) 16.641 18.059 ( -3.865 -1.439 -2.718) 4.940 18.123 ( 4.935 4.060 1.541) 6.574 18.178 ( -0.864 0.034 1.459) 1.696 18.390 ( 3.755 -1.855 3.589) 5.516 18.563 ( 2.231 -7.091 -0.508) 7.451 18.669 ( -7.193 4.289 -6.964) 10.891 18.834 ( -2.947 -8.672 -0.549) 9.176 19.002 ( -2.332 -2.415 -6.011) 6.885 19.129 ( -1.977 -1.844 -0.737) 2.802 19.287 ( -0.248 -0.564 -1.453) 1.579 19.331 ( 2.264 4.375 0.164) 4.929 19.364 ( 0.719 -6.160 2.852) 6.826 19.607 ( 2.501 0.255 -2.640) 3.646 19.757 ( 1.146 1.989 1.196) 2.588 19.869 ( -1.885 -0.600 2.893) 3.504 20.021 ( -1.505 6.600 -3.367) 7.561 20.135 ( -1.139 4.344 -1.812) 4.843 20.563 ( 9.123 8.103 8.987) 15.154 20.677 ( -8.286 2.525 -7.871) 11.704 20.836 ( 2.177 -8.457 1.929) 8.943 21.261 ( -0.278 -4.360 -2.152) 4.870 21.727 ( 2.482 7.543 1.534) 8.088 22.056 ( -1.028 -0.141 -0.417) 1.118 22.057 ( -1.193 -5.856 0.069) 5.976 22.226 ( -1.465 3.091 -0.326) 3.436 22.293 ( -0.429 -4.558 1.418) 4.793 22.479 ( -0.665 3.147 -0.213) 3.224 22.543 ( -1.753 -2.347 1.029) 3.105 22.630 ( 0.291 -2.509 1.074) 2.745 23.186 ( 10.936 2.954 10.794) 15.647 23.551 ( 6.793 -11.554 9.874) 16.647 23.797 ( -13.423 13.756 -9.585) 21.477 24.669 ( -4.358 -9.977 -7.840) 13.416 24.939 ( 1.587 1.668 -0.185) 2.310 25.048 ( 3.164 -1.450 1.125) 3.658 25.189 ( -0.674 11.622 -0.221) 11.644 25.626 ( -0.475 5.339 1.029) 5.458 25.704 ( -8.210 -3.657 1.202) 9.068 26.264 ( 1.644 -15.121 -3.799) 15.677 26.423 ( 2.292 -0.980 -0.448) 2.532 26.730 ( -2.616 -3.768 -1.596) 4.857 27.240 ( 5.625 1.927 6.172) 8.570 27.345 ( -2.807 0.518 -5.086) 5.832 27.386 ( 1.247 -1.219 -0.814) 1.925 27.486 ( -1.661 -6.928 1.677) 7.319 27.785 ( 3.180 3.628 -0.295) 4.833 28.033 ( 4.042 0.788 3.914) 5.682 28.114 ( -1.744 2.255 -1.383) 3.169 28.199 ( -2.398 -1.412 -0.508) 2.828 28.337 ( -1.386 -3.503 -2.140) 4.332 28.370 ( -0.873 -2.031 -2.232) 3.141 28.423 ( -4.238 1.289 -3.727) 5.789 28.680 ( 5.464 3.490 -3.324) 7.286 28.888 ( -0.766 1.992 3.840) 4.394 28.946 ( -2.321 5.447 -1.403) 6.084 29.055 ( 1.044 -3.535 -2.072) 4.228 29.232 ( -3.335 0.859 -2.412) 4.204 29.592 ( 1.569 1.515 0.734) 2.301 29.803 ( -0.442 -3.552 0.098) 3.580 29.969 ( 0.532 5.937 -1.433) 6.130 30.043 ( 1.563 1.311 -0.149) 2.046 30.629 ( 11.615 5.584 3.295) 13.302 30.834 ( -4.258 0.148 -2.888) 5.148 30.955 ( 8.111 0.040 -12.687) 15.058 31.098 ( -7.292 -5.767 -9.159) 13.051 31.468 ( -2.100 -4.545 6.290) 8.039 31.622 ( -7.503 -9.570 6.943) 14.003 32.014 ( 0.863 7.223 2.624) 7.733 32.176 ( -0.815 4.884 -1.246) 5.106 32.261 ( 6.097 -0.732 5.706) 8.383 32.331 ( -2.964 -0.443 -2.022) 3.615 32.674 ( 1.137 -0.077 2.969) 3.181 32.842 ( -6.956 -7.330 4.977) 11.264 33.054 ( -0.918 -2.939 0.559) 3.130 33.173 ( -1.829 -3.654 -0.945) 4.194 33.519 ( 0.103 5.820 -11.058) 12.497 33.741 ( -2.448 -0.574 -4.923) 5.528 33.876 ( 2.605 8.728 7.558) 11.836 34.286 ( -3.173 -7.813 17.986) 19.864 38.579 ( -0.415 -4.794 -1.328) 4.992 38.644 ( -0.212 -6.523 0.717) 6.566 38.679 ( -0.324 8.785 -5.396) 10.315 39.257 ( 0.362 -7.980 -7.027) 10.639 39.683 ( 16.649 10.050 -3.224) 19.712 39.889 ( 5.784 2.602 -0.088) 6.343 40.169 ( -0.278 6.378 1.693) 6.605 40.386 ( -1.038 0.389 8.925) 8.993 41.427 ( -2.247 -2.908 -3.513) 5.084 41.454 ( 1.601 -3.130 3.287) 4.813 42.001 ( -2.128 7.192 -0.838) 7.547 42.153 ( 2.364 7.047 -4.171) 8.523 42.544 ( -0.444 -0.252 -2.412) 2.465 42.622 ( -0.212 -1.743 -0.129) 1.761 43.073 ( -8.803 -0.570 12.365) 15.189 43.638 ( 3.475 -13.329 -0.286) 13.777 ======================= Grid point 87 (45/84) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -3.238 17.112 9.731) 19.950 2.083 ( -2.940 16.087 5.252) 17.176 2.313 ( 0.392 2.635 8.183) 8.606 2.532 ( 4.293 -3.529 -0.532) 5.583 2.592 ( -3.487 -4.223 2.816) 6.159 2.645 ( 4.476 0.119 4.586) 6.410 2.738 ( -1.722 6.786 -0.616) 7.028 2.938 ( 4.413 -8.981 -1.420) 10.107 3.093 ( -3.406 3.532 -2.898) 5.699 3.167 ( 1.288 -3.126 -2.168) 4.017 3.467 ( 0.177 3.195 4.478) 5.504 3.527 ( 3.636 -2.564 -1.354) 4.651 3.577 ( -5.438 2.631 2.190) 6.426 3.683 ( -2.315 -5.669 -3.920) 7.270 3.821 ( 0.329 6.535 -2.895) 7.155 3.896 ( 2.002 -0.666 0.825) 2.265 3.947 ( 4.908 7.771 4.563) 10.262 4.122 ( 4.632 -7.722 -2.523) 9.352 4.331 ( 2.619 -0.445 -3.467) 4.368 4.353 ( 1.536 -2.019 -4.349) 5.034 4.503 ( -3.118 5.777 5.433) 8.522 4.645 ( -0.757 -6.129 7.932) 10.053 4.890 ( -6.120 6.682 0.663) 9.085 4.915 ( 0.682 5.721 3.741) 6.870 5.045 ( -9.318 0.550 -3.120) 9.842 5.142 ( -4.217 -6.211 4.283) 8.643 5.347 ( 4.526 8.186 -2.029) 9.572 5.488 ( 3.795 -2.061 -2.667) 5.076 5.603 ( 1.149 1.260 -0.901) 1.928 5.659 ( -1.377 5.044 1.680) 5.492 5.737 ( 2.341 -0.045 6.131) 6.563 5.879 ( 1.349 -7.223 1.057) 7.423 6.002 ( -11.489 6.701 -7.693) 15.365 6.087 ( 5.539 2.648 -6.997) 9.308 6.138 ( 3.674 -2.242 -5.723) 7.161 6.183 ( -1.976 -11.067 -0.122) 11.242 6.304 ( -0.610 4.062 -0.228) 4.114 6.416 ( -1.926 -4.357 -10.934) 11.927 6.658 ( -3.846 8.362 -5.310) 10.625 6.763 ( 1.281 6.598 0.367) 6.731 6.852 ( 1.574 -2.737 -1.488) 3.491 6.874 ( -2.017 -10.730 -7.985) 13.526 6.978 ( -1.894 -1.227 0.326) 2.280 7.053 ( -0.383 -7.944 -2.421) 8.313 7.358 ( -2.179 4.676 4.287) 6.708 7.446 ( -4.622 -5.322 -0.735) 7.087 7.591 ( 8.640 0.510 2.841) 9.109 7.660 ( 4.229 -7.497 -2.443) 8.948 7.862 ( 7.208 7.836 11.970) 16.020 8.048 ( 10.159 -10.936 7.244) 16.592 8.208 ( -3.485 7.322 -0.382) 8.118 8.337 ( -1.694 -5.267 2.312) 5.997 8.692 ( -0.594 -0.799 -0.497) 1.113 8.750 ( 0.915 -7.172 0.956) 7.293 9.097 ( -7.842 5.754 -4.634) 10.774 9.164 ( 8.246 4.045 0.715) 9.212 9.233 ( -6.081 0.498 -5.824) 8.434 9.330 ( 5.586 -3.057 1.795) 6.616 9.522 ( -0.852 1.829 -1.644) 2.602 9.638 ( -2.445 -4.607 -6.974) 8.708 9.683 ( -0.753 6.809 1.906) 7.110 9.845 ( 1.212 -6.800 -0.568) 6.931 10.067 ( 1.899 5.657 0.202) 5.970 10.248 ( 0.321 -5.752 -8.522) 10.287 10.376 ( -4.117 3.163 -0.887) 5.267 10.471 ( -5.453 -2.632 2.882) 6.706 10.558 ( 0.612 5.541 1.877) 5.882 10.694 ( 0.624 -0.729 0.195) 0.980 10.845 ( -3.025 -1.523 0.560) 3.433 10.900 ( 3.293 -4.634 0.886) 5.753 11.278 ( -1.297 5.919 4.134) 7.335 11.386 ( -1.266 -5.460 0.725) 5.651 11.525 ( -0.430 1.372 1.974) 2.442 11.576 ( 0.379 -3.798 0.681) 3.877 12.022 ( 2.259 0.865 -0.939) 2.594 12.056 ( 0.309 -3.253 -2.075) 3.871 12.356 ( -1.794 7.611 5.144) 9.360 12.441 ( -2.780 -0.932 5.697) 6.407 12.692 ( 3.665 5.044 -0.734) 6.278 12.768 ( 1.527 2.199 0.797) 2.794 12.866 ( -0.626 4.266 -0.025) 4.312 12.899 ( 4.803 -4.649 -2.914) 7.292 13.055 ( 1.143 -3.288 1.852) 3.943 13.164 ( -3.073 -9.486 1.994) 10.169 13.369 ( 0.676 3.897 -1.623) 4.275 13.416 ( 1.322 -0.864 -2.032) 2.573 13.730 ( -0.162 5.786 -2.768) 6.416 13.797 ( -4.016 -0.966 -2.655) 4.910 14.218 ( -0.654 1.844 1.604) 2.530 14.252 ( 1.728 -1.115 2.600) 3.315 14.656 ( -1.640 5.446 -2.140) 6.077 14.725 ( -4.108 -1.885 -4.251) 6.205 15.028 ( 3.232 0.706 1.782) 3.758 15.091 ( 0.600 -5.204 0.987) 5.330 15.276 ( -0.098 8.668 -1.742) 8.842 15.405 ( -3.904 -3.036 -4.653) 6.791 15.578 ( 3.969 5.320 0.933) 6.703 15.713 ( 2.956 -7.833 -0.748) 8.406 15.985 ( -0.910 9.132 -1.830) 9.358 16.065 ( -0.905 5.290 -1.545) 5.585 16.186 ( -1.529 -5.577 -2.183) 6.181 16.249 ( -1.854 -9.368 -2.464) 9.863 16.608 ( 1.680 2.710 5.229) 6.125 16.693 ( 3.162 -5.743 7.805) 10.193 17.292 ( -1.061 12.528 0.977) 12.610 17.419 ( 0.819 2.456 0.393) 2.619 17.507 ( 2.699 -2.913 4.185) 5.769 17.534 ( 3.230 -9.537 7.305) 12.440 17.860 ( -11.897 7.325 -11.437) 18.056 17.947 ( -10.412 -3.250 -12.806) 16.821 18.112 ( -3.625 3.322 -5.673) 7.507 18.173 ( -7.885 0.136 -6.576) 10.268 18.207 ( -2.731 1.396 -3.515) 4.665 18.327 ( 0.483 -9.707 -6.043) 11.444 18.795 ( 3.735 6.418 2.077) 7.711 18.892 ( 10.523 -2.594 7.966) 13.451 19.045 ( 5.406 2.760 7.184) 9.405 19.154 ( 7.411 -5.720 11.187) 14.588 19.286 ( -0.532 2.534 1.969) 3.253 19.356 ( 1.133 -4.653 6.244) 7.869 19.570 ( 8.403 4.417 5.760) 11.104 19.653 ( 8.536 -2.917 5.880) 10.768 19.813 ( -1.977 0.284 0.332) 2.024 19.830 ( -3.910 -1.222 2.169) 4.635 20.064 ( 0.172 5.644 -5.470) 7.862 20.148 ( 1.529 -2.415 -3.873) 4.814 20.496 ( -7.163 4.857 -7.427) 11.405 20.619 ( -5.319 -7.250 -6.345) 11.005 21.063 ( 9.501 12.672 12.758) 20.338 21.275 ( 9.778 -9.432 11.546) 17.829 21.843 ( -1.483 7.401 -2.533) 7.962 21.971 ( 1.710 -6.349 1.106) 6.667 22.084 ( 0.766 1.098 1.948) 2.364 22.137 ( -2.093 -4.403 -1.263) 5.036 22.321 ( -2.585 5.236 -0.546) 5.865 22.426 ( -4.122 -5.511 -1.846) 7.125 22.551 ( 1.557 3.501 0.710) 3.897 22.598 ( 0.876 -1.177 0.523) 1.558 23.054 ( -18.367 3.102 -15.688) 24.353 23.134 ( -19.993 -5.950 -17.426) 27.181 24.271 ( 16.095 16.835 16.994) 28.832 24.604 ( 14.490 -17.601 15.760) 27.716 24.986 ( 0.039 1.994 -0.444) 2.043 25.023 ( -0.644 -1.857 -0.420) 2.010 25.401 ( -2.177 11.813 -3.130) 12.413 25.569 ( -3.803 -3.390 -2.432) 5.646 25.737 ( 1.418 4.728 -0.803) 5.001 25.904 ( -0.085 -14.492 -5.795) 15.608 26.546 ( 4.815 7.031 4.385) 9.584 26.685 ( 5.777 -6.638 4.387) 9.833 27.195 ( -8.861 4.098 -5.632) 11.271 27.262 ( -4.377 -3.177 -3.920) 6.680 27.342 ( -1.317 1.411 0.693) 2.051 27.406 ( -2.057 -4.548 1.627) 5.250 27.794 ( -2.541 4.665 -5.568) 7.695 27.885 ( -3.331 -4.495 -6.609) 8.659 28.199 ( 1.207 3.201 0.295) 3.434 28.260 ( 1.338 -3.231 0.843) 3.597 28.343 ( 5.050 -0.160 3.370) 6.073 28.348 ( 3.018 -0.564 3.248) 4.469 28.563 ( 7.658 7.107 3.417) 10.992 28.698 ( 6.445 -5.917 1.124) 8.821 28.913 ( -2.980 2.293 1.596) 4.084 28.958 ( -0.723 -2.561 0.866) 2.799 29.109 ( 3.955 4.979 0.846) 6.415 29.200 ( 2.934 -4.183 -0.431) 5.128 29.647 ( -2.833 3.715 -1.095) 4.799 29.727 ( -2.338 -4.568 -0.566) 5.163 30.028 ( -3.471 5.132 -4.739) 7.800 30.099 ( -2.178 -0.809 -0.622) 2.406 30.329 ( -10.997 0.921 -22.894) 25.415 30.370 ( -10.564 -2.316 -21.188) 23.788 31.162 ( 10.903 1.291 2.687) 11.303 31.202 ( 8.774 -2.712 1.843) 9.367 31.558 ( 1.542 -1.475 14.234) 14.393 31.570 ( 0.793 -2.987 15.227) 15.537 32.129 ( -1.058 5.334 1.650) 5.683 32.206 ( -2.377 -2.210 0.076) 3.246 32.310 ( 1.213 3.184 3.166) 4.651 32.365 ( 2.371 -2.728 3.713) 5.181 32.727 ( -1.235 1.923 4.078) 4.675 32.769 ( -2.035 -2.330 5.558) 6.361 33.026 ( 0.629 1.373 -0.751) 1.687 33.087 ( 1.179 -4.212 -1.135) 4.519 33.460 ( -0.293 4.954 -13.809) 14.674 33.543 ( -0.671 -3.727 -13.129) 13.664 34.208 ( -0.734 6.340 13.540) 14.969 34.302 ( -3.767 -3.737 12.442) 13.526 38.505 ( -0.489 0.203 -0.968) 1.104 38.551 ( -0.083 -4.538 0.956) 4.638 38.755 ( 0.244 10.022 -10.464) 14.491 38.954 ( 0.128 -10.796 -11.373) 15.682 39.905 ( 3.198 3.620 -2.168) 5.295 39.936 ( -0.360 0.479 -2.499) 2.570 40.344 ( -1.226 5.000 6.972) 8.666 40.389 ( -6.226 0.999 6.459) 9.027 41.414 ( 0.719 1.230 2.780) 3.124 41.476 ( 2.110 -5.246 3.987) 6.918 42.133 ( 1.799 6.397 2.195) 6.998 42.234 ( 4.315 -4.035 2.129) 6.280 42.555 ( 2.657 2.076 -1.045) 3.530 42.592 ( 2.120 -1.606 -0.941) 2.821 43.154 ( -4.779 7.692 3.785) 9.815 43.367 ( -2.194 -13.910 -1.383) 14.150 ======================= Grid point 88 (46/84) ======================= q-point: ( 0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 3.322 17.200 7.490) 19.052 2.157 ( -0.506 10.512 8.707) 13.659 2.385 ( -2.957 -2.016 6.858) 7.736 2.467 ( -6.533 -7.526 -1.308) 10.051 2.638 ( 3.796 9.072 -2.641) 10.182 2.729 ( 2.728 10.927 -1.062) 11.312 2.819 ( 4.293 -8.193 3.973) 10.067 2.966 ( 1.270 -11.587 -1.184) 11.716 3.004 ( -4.827 7.779 2.858) 9.590 3.140 ( -2.342 -4.608 1.675) 5.434 3.404 ( -9.171 3.439 -3.505) 10.403 3.454 ( -10.135 0.280 -3.091) 10.600 3.548 ( -6.159 -0.079 6.114) 8.679 3.577 ( -7.128 -3.802 -0.403) 8.089 3.825 ( -1.089 3.510 2.516) 4.454 3.903 ( -3.235 -4.965 1.573) 6.131 4.043 ( -0.537 0.819 -5.356) 5.445 4.091 ( 1.813 -2.421 -5.035) 5.874 4.289 ( 3.189 5.383 -7.183) 9.526 4.337 ( 2.615 0.680 -3.883) 4.731 4.548 ( -2.280 2.243 4.259) 5.326 4.676 ( -6.669 -8.666 1.754) 11.075 4.839 ( -0.836 10.563 5.053) 11.739 4.894 ( 0.299 1.753 -0.878) 1.983 4.998 ( -2.650 5.790 10.982) 12.695 5.172 ( -2.367 -4.706 5.926) 7.929 5.408 ( 1.558 1.771 -1.138) 2.619 5.500 ( -0.282 -5.159 -2.918) 5.934 5.524 ( 0.412 6.079 -0.501) 6.113 5.582 ( -4.681 1.484 -3.712) 6.156 5.803 ( 2.211 8.867 -4.228) 10.070 5.872 ( 6.810 10.985 2.645) 13.192 5.944 ( 0.486 -6.076 2.929) 6.763 6.101 ( 6.319 -0.486 -4.438) 7.737 6.135 ( 4.077 -5.989 -8.558) 11.213 6.202 ( 2.212 -13.234 4.706) 14.219 6.289 ( -4.448 3.061 -2.031) 5.769 6.355 ( 0.651 -2.889 0.588) 3.019 6.499 ( -3.512 1.108 -6.048) 7.081 6.626 ( -7.333 -7.166 -6.867) 12.340 6.805 ( -2.801 -2.132 -3.107) 4.696 6.845 ( -0.984 -2.724 -1.743) 3.380 6.946 ( 6.313 5.015 -0.621) 8.087 7.082 ( 3.554 -5.970 0.601) 6.974 7.354 ( -5.186 -0.667 2.343) 5.729 7.385 ( -3.094 -2.384 4.676) 6.093 7.690 ( 3.184 2.134 -0.907) 3.939 7.763 ( 6.165 -5.864 -2.021) 8.745 8.062 ( -5.184 5.766 -2.586) 8.174 8.139 ( 3.244 0.247 4.193) 5.307 8.263 ( 1.545 2.494 0.148) 2.937 8.369 ( 8.579 -6.293 4.107) 11.405 8.669 ( -3.828 2.166 1.262) 4.575 8.756 ( -2.304 -6.460 0.528) 6.879 8.991 ( 0.958 6.025 -0.493) 6.120 9.085 ( -0.768 -2.572 -3.530) 4.434 9.288 ( 3.474 7.022 -0.844) 7.879 9.399 ( -4.157 -2.099 -11.186) 12.117 9.405 ( 1.466 3.184 -1.121) 3.680 9.602 ( 4.939 -10.610 0.206) 11.705 9.737 ( 3.817 5.537 3.925) 7.787 9.888 ( 4.010 -5.199 0.571) 6.591 10.053 ( 1.519 0.944 -6.565) 6.804 10.186 ( 3.846 -3.791 -6.326) 8.317 10.370 ( -1.115 5.570 8.239) 10.008 10.475 ( -1.177 -3.778 5.793) 7.015 10.546 ( -1.932 8.566 -1.322) 8.880 10.693 ( 2.027 -0.955 -2.298) 3.210 10.833 ( 0.552 -0.333 0.591) 0.875 10.941 ( 2.119 -7.654 -0.865) 7.989 11.299 ( -2.383 4.476 3.984) 6.449 11.389 ( -1.353 -4.898 1.261) 5.236 11.534 ( -2.339 2.598 3.013) 4.615 11.594 ( 0.192 -3.400 1.878) 3.889 12.001 ( -1.757 0.355 -4.284) 4.643 12.029 ( 0.488 -2.563 -1.987) 3.280 12.393 ( -4.806 7.356 9.205) 12.726 12.446 ( -4.695 1.488 5.317) 7.247 12.723 ( 2.053 7.173 -4.102) 8.515 12.781 ( -0.784 3.193 -5.798) 6.665 12.829 ( 0.288 2.601 3.673) 4.510 12.938 ( -0.032 -6.216 -0.244) 6.221 13.097 ( -0.688 -4.329 3.068) 5.351 13.106 ( -5.097 -4.230 -0.066) 6.624 13.389 ( 3.904 3.814 -1.452) 5.648 13.451 ( 4.444 -3.007 -2.360) 5.862 13.712 ( 2.519 1.626 -0.524) 3.044 13.724 ( 1.189 0.404 -2.547) 2.840 14.218 ( -2.868 4.299 1.781) 5.466 14.315 ( 1.575 -4.568 1.412) 5.034 14.594 ( -2.491 1.441 -1.551) 3.269 14.614 ( -2.289 -0.491 -1.668) 2.874 15.082 ( -0.249 -1.443 0.385) 1.514 15.100 ( -0.136 -2.329 -0.396) 2.366 15.248 ( -0.809 6.354 -1.121) 6.502 15.310 ( -1.285 -0.111 -2.784) 3.068 15.641 ( 1.732 2.041 -0.732) 2.775 15.723 ( 1.909 -6.635 -3.439) 7.714 15.946 ( -0.524 7.520 -0.038) 7.538 16.023 ( -0.194 1.824 -2.391) 3.013 16.174 ( 0.327 -4.627 0.575) 4.674 16.210 ( 0.704 -5.870 -0.970) 5.991 16.727 ( 1.291 3.817 6.017) 7.241 16.785 ( -0.997 -0.701 2.794) 3.048 17.308 ( 3.051 6.903 4.708) 8.895 17.410 ( -1.232 -1.577 -1.400) 2.443 17.595 ( -0.083 5.871 0.378) 5.884 17.611 ( -7.132 3.604 -8.832) 11.910 17.719 ( 7.551 -2.482 9.666) 12.515 17.765 ( 3.313 -7.648 6.504) 10.571 17.939 ( -5.289 1.112 -8.493) 10.067 18.005 ( -6.064 -3.988 -7.486) 10.427 18.183 ( -0.281 2.287 0.387) 2.336 18.269 ( 0.325 -7.059 -2.695) 7.563 18.850 ( 2.618 3.959 0.895) 4.830 18.904 ( -1.268 -1.501 -3.806) 4.283 19.249 ( 0.027 0.656 3.199) 3.266 19.278 ( 0.449 -2.367 4.200) 4.842 19.345 ( 1.749 6.404 5.169) 8.414 19.452 ( 1.393 -4.404 1.753) 4.940 19.713 ( -4.136 3.143 1.016) 5.293 19.740 ( -4.723 -0.880 -2.343) 5.345 19.825 ( 5.525 3.831 5.137) 8.461 19.895 ( 3.896 -1.404 3.010) 5.119 19.987 ( -2.497 4.882 -5.752) 7.947 20.114 ( 1.080 -7.549 -5.540) 9.426 20.372 ( 0.194 3.584 0.985) 3.722 20.480 ( -1.023 -6.384 -3.362) 7.288 21.418 ( 12.091 12.585 15.951) 23.643 21.605 ( 1.617 -0.006 1.038) 1.922 21.683 ( -0.658 0.834 2.443) 2.664 21.838 ( -13.373 -8.711 -13.115) 20.658 22.179 ( 4.211 -0.379 5.758) 7.144 22.186 ( 5.506 -0.705 6.329) 8.419 22.245 ( -3.139 0.656 -1.895) 3.725 22.280 ( -6.118 -2.707 -5.168) 8.453 22.583 ( -1.842 2.475 -0.981) 3.237 22.618 ( 0.415 0.257 0.590) 0.766 22.746 ( 0.068 1.074 -1.956) 2.232 22.806 ( 0.982 -4.353 -2.424) 5.078 24.688 ( 11.823 13.491 13.228) 22.288 24.883 ( -1.298 2.045 -3.104) 3.938 24.958 ( 0.796 -4.347 2.349) 5.005 24.989 ( -2.411 -1.644 -0.899) 3.053 25.336 ( -1.441 0.308 1.107) 1.843 25.470 ( -3.858 -7.889 -4.289) 9.774 25.759 ( 3.398 1.662 -1.912) 4.238 25.818 ( 0.510 -7.228 -6.647) 9.833 26.673 ( -0.559 5.774 4.905) 7.597 26.760 ( -6.067 -2.627 -2.580) 7.097 27.067 ( 2.832 5.391 2.190) 6.472 27.170 ( 2.893 -5.339 -1.835) 6.344 27.337 ( -1.141 2.801 1.168) 3.242 27.416 ( 1.634 -4.307 1.899) 4.983 27.730 ( -0.321 3.661 -1.692) 4.046 27.806 ( 0.322 -3.663 -3.436) 5.033 28.201 ( -0.025 2.996 -0.092) 2.997 28.247 ( -0.903 -1.537 -1.184) 2.140 28.297 ( -2.504 2.228 -5.175) 6.166 28.360 ( -0.260 -2.923 -2.923) 4.142 28.764 ( 0.735 2.096 3.340) 4.011 28.807 ( -1.638 -1.716 0.953) 2.556 28.924 ( 2.638 4.202 1.836) 5.290 28.991 ( 3.452 -2.455 1.944) 4.661 29.246 ( 0.166 0.803 1.992) 2.154 29.294 ( -1.709 -4.097 -0.619) 4.483 29.474 ( -1.139 5.467 -5.784) 8.040 29.602 ( 7.034 -7.914 -2.793) 10.950 29.896 ( -3.474 0.996 -2.270) 4.267 29.925 ( -6.116 -2.317 -5.420) 8.494 30.135 ( -1.888 4.165 -4.432) 6.368 30.202 ( 2.680 -2.501 -3.454) 5.037 31.222 ( -1.488 0.697 -4.261) 4.566 31.250 ( 1.901 -2.266 -3.301) 4.432 31.746 ( 3.873 0.714 6.897) 7.943 31.774 ( 7.251 -1.615 7.948) 10.879 32.177 ( -0.558 4.551 4.747) 6.600 32.219 ( -0.840 0.378 3.000) 3.139 32.334 ( -1.887 2.307 2.865) 4.134 32.392 ( -2.320 -3.080 0.587) 3.900 32.787 ( 1.268 1.395 6.131) 6.414 32.824 ( -0.058 -2.219 5.840) 6.247 33.035 ( 1.307 2.117 -0.783) 2.608 33.105 ( 2.431 -4.729 -0.186) 5.320 33.296 ( 0.261 3.958 -11.259) 11.938 33.378 ( -0.239 -4.707 -11.771) 12.680 34.337 ( -3.106 4.906 10.791) 12.254 34.393 ( -0.994 -0.976 9.738) 9.837 38.485 ( -0.766 2.292 -0.574) 2.484 38.564 ( -0.212 -5.870 1.673) 6.108 38.637 ( 0.451 8.018 -8.742) 11.871 38.813 ( 0.143 -10.351 -11.026) 15.124 39.855 ( -5.952 4.392 -1.007) 7.465 39.888 ( -2.228 0.819 -0.744) 2.487 40.379 ( -3.566 7.834 5.991) 10.487 40.442 ( 1.173 0.909 6.758) 6.919 41.445 ( -0.910 1.195 1.959) 2.468 41.514 ( -0.457 -5.900 0.418) 5.933 42.209 ( 2.727 7.053 3.022) 8.144 42.329 ( 4.387 -5.655 0.338) 7.165 42.601 ( 5.331 2.083 -1.615) 5.947 42.625 ( 5.042 -0.532 -2.513) 5.658 43.124 ( -6.862 3.255 5.703) 9.498 43.286 ( -5.401 -12.637 -1.924) 13.877 ======================= Grid point 89 (47/84) ======================= q-point: ( 0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -11.656 11.543 -5.612) 17.338 2.243 ( -2.128 12.547 1.700) 12.839 2.326 ( -3.933 -1.760 0.654) 4.358 2.443 ( -1.633 0.459 6.716) 6.927 2.528 ( -10.755 6.978 -5.480) 13.943 2.683 ( -7.562 2.992 -5.800) 9.989 2.800 ( -1.067 -4.701 -1.141) 4.954 2.935 ( -3.940 -7.432 -0.531) 8.428 3.040 ( 0.080 8.192 0.770) 8.228 3.195 ( 2.284 -0.322 4.577) 5.126 3.250 ( -4.599 -6.007 -2.145) 7.864 3.288 ( -5.780 -2.621 5.522) 8.412 3.473 ( -6.073 -1.529 0.418) 6.276 3.521 ( -7.017 -4.071 6.138) 10.173 3.807 ( -3.754 4.123 0.840) 5.639 3.856 ( -4.833 -2.394 2.277) 5.854 3.959 ( -1.441 -3.641 -5.534) 6.779 3.974 ( -1.341 -2.894 -9.082) 9.626 4.280 ( 2.930 8.803 -2.728) 9.670 4.365 ( 4.750 0.275 -0.257) 4.765 4.530 ( -0.325 0.466 0.234) 0.614 4.603 ( -3.875 -6.979 3.711) 8.803 4.902 ( 1.377 8.776 1.634) 9.033 4.997 ( 2.779 3.564 6.378) 7.817 5.102 ( -2.340 0.434 3.966) 4.625 5.198 ( -4.831 -4.545 3.433) 7.469 5.359 ( 2.168 3.771 5.429) 6.957 5.484 ( 3.197 -5.817 4.236) 7.874 5.603 ( 5.367 5.476 0.057) 7.667 5.666 ( 7.680 -0.307 2.747) 8.162 5.789 ( 6.190 14.717 -6.163) 17.114 5.946 ( -2.181 2.904 1.761) 4.036 6.000 ( -0.553 -5.244 -0.242) 5.278 6.038 ( -0.176 5.318 -10.629) 11.886 6.108 ( 5.965 -5.895 -5.500) 10.029 6.207 ( 2.211 2.830 -0.952) 3.716 6.305 ( 2.517 -11.392 2.443) 11.920 6.313 ( -3.526 -8.047 -0.029) 8.786 6.506 ( -2.568 -3.824 1.897) 4.981 6.528 ( 0.893 -4.714 2.956) 5.635 6.680 ( -5.538 5.208 -2.836) 8.114 6.809 ( 1.163 -7.603 -2.128) 7.980 7.058 ( -0.881 5.644 1.734) 5.970 7.120 ( -1.197 -0.277 1.658) 2.064 7.369 ( 1.083 1.387 3.757) 4.148 7.425 ( 0.927 -3.989 5.646) 6.975 7.594 ( -7.038 3.133 -10.091) 12.695 7.694 ( -5.188 -7.455 -6.239) 11.019 7.957 ( -5.938 0.851 -8.323) 10.259 7.995 ( -0.185 -3.504 -5.265) 6.327 8.358 ( 2.508 9.151 0.653) 9.511 8.529 ( 4.020 -7.872 3.598) 9.543 8.695 ( 3.949 2.259 3.711) 5.871 8.759 ( 2.052 -4.910 2.810) 6.018 9.069 ( 4.194 7.344 4.316) 9.495 9.106 ( 1.372 1.192 -0.593) 1.912 9.138 ( -5.315 2.279 -11.493) 12.865 9.294 ( 0.833 -11.263 -1.752) 11.429 9.413 ( -0.155 14.207 1.542) 14.291 9.690 ( 4.822 -12.084 0.561) 13.022 9.844 ( 3.599 2.261 1.418) 4.481 9.930 ( 1.752 -5.778 -1.361) 6.189 10.030 ( 2.942 6.787 -2.297) 7.745 10.162 ( -0.871 -4.337 -2.509) 5.085 10.449 ( -0.389 9.126 1.746) 9.299 10.547 ( 3.328 1.996 1.765) 4.263 10.565 ( 4.168 5.121 4.956) 8.256 10.730 ( 5.126 -7.574 -0.041) 9.146 10.879 ( 4.979 1.871 1.437) 5.510 10.970 ( 2.677 -5.717 0.470) 6.330 11.321 ( -0.989 2.794 3.533) 4.612 11.390 ( -0.137 -4.322 3.277) 5.425 11.518 ( -4.146 4.169 1.211) 6.004 11.594 ( -2.833 -3.634 -0.701) 4.661 11.910 ( -3.700 4.358 -3.035) 6.472 12.005 ( -0.107 -5.790 -1.940) 6.107 12.430 ( -4.816 3.314 5.458) 7.998 12.446 ( -3.655 3.589 5.624) 7.608 12.611 ( -4.690 4.353 -6.526) 9.140 12.684 ( -3.807 -1.066 -5.793) 7.014 12.884 ( 0.205 -0.408 1.818) 1.874 12.889 ( -2.798 -0.285 -2.219) 3.582 13.053 ( -0.563 1.442 -0.392) 1.597 13.119 ( -0.653 -2.354 1.828) 3.051 13.414 ( -0.174 2.601 0.084) 2.608 13.443 ( 1.301 -0.065 -2.643) 2.947 13.772 ( 6.991 1.820 -1.115) 7.310 13.832 ( 9.635 -2.871 2.574) 10.378 14.175 ( -4.886 2.963 1.128) 5.825 14.287 ( -2.924 -8.156 -2.465) 9.008 14.598 ( 1.367 3.658 2.799) 4.804 14.656 ( 3.691 -2.304 4.833) 6.503 15.037 ( -2.908 -0.117 -1.896) 3.473 15.061 ( -2.742 -1.192 -2.018) 3.607 15.249 ( 0.485 4.187 2.168) 4.740 15.292 ( 1.087 -1.389 -0.672) 1.887 15.573 ( -4.458 1.089 -4.625) 6.515 15.670 ( -2.959 -7.404 -5.085) 9.457 15.990 ( 3.229 8.308 2.100) 9.158 16.040 ( 2.381 5.453 1.773) 6.209 16.182 ( 1.807 -4.095 -0.254) 4.483 16.244 ( 2.100 -7.673 1.047) 8.024 16.711 ( -3.227 4.790 -1.326) 5.926 16.783 ( -2.773 -2.025 -0.333) 3.450 17.373 ( 1.431 5.823 -1.215) 6.118 17.447 ( 1.186 -4.099 1.774) 4.621 17.572 ( 2.290 9.992 4.687) 11.272 17.688 ( -2.560 0.296 -3.572) 4.405 17.722 ( 5.482 4.099 5.855) 9.007 17.858 ( 1.785 -4.156 -1.788) 4.863 17.957 ( 7.709 -6.677 9.305) 13.806 17.975 ( 2.232 -8.518 5.952) 10.628 18.204 ( 2.459 2.919 1.506) 4.103 18.266 ( 1.410 -3.694 0.534) 3.990 18.833 ( -2.310 3.259 -3.919) 5.596 18.885 ( -0.197 -2.121 -0.849) 2.293 19.185 ( -6.238 6.643 -4.848) 10.322 19.293 ( -3.721 -3.790 -1.609) 5.550 19.370 ( -3.796 1.171 -4.875) 6.289 19.386 ( -3.131 1.467 -3.720) 5.079 19.533 ( -8.903 1.677 -4.569) 10.146 19.608 ( -10.419 -4.597 -3.455) 11.900 19.843 ( -2.644 3.314 -1.442) 4.478 19.891 ( -1.933 1.478 -0.795) 2.560 19.950 ( 3.539 2.725 0.409) 4.486 20.079 ( 1.830 -7.477 -2.969) 8.250 20.475 ( 5.719 3.437 4.757) 8.195 20.552 ( 5.250 -4.694 4.246) 8.223 21.243 ( -13.942 9.788 -12.523) 21.143 21.409 ( -15.013 -7.948 -13.153) 21.485 21.741 ( 6.525 11.055 8.249) 15.259 21.938 ( 4.972 -9.726 4.865) 11.957 22.147 ( -1.809 0.917 -2.293) 3.061 22.183 ( -0.276 -2.682 -1.084) 2.906 22.364 ( 6.183 4.719 5.633) 9.604 22.457 ( 9.840 -3.967 9.300) 14.109 22.555 ( 0.826 1.962 -0.329) 2.154 22.609 ( 0.148 -2.327 -0.363) 2.360 22.976 ( 15.322 3.184 13.775) 20.848 23.048 ( 18.853 -4.198 16.759) 25.572 24.576 ( -14.474 14.717 -19.136) 28.147 24.789 ( -9.914 -4.979 -10.389) 15.199 24.933 ( -1.050 0.841 0.537) 1.449 24.976 ( -1.484 -2.152 0.507) 2.663 25.327 ( -0.103 3.750 2.575) 4.550 25.508 ( 4.476 -14.268 7.546) 16.749 25.758 ( 2.177 2.411 -2.778) 4.274 25.801 ( 2.415 -2.337 -1.832) 3.827 26.542 ( -9.797 1.005 -6.819) 11.979 26.575 ( -9.558 -2.400 -3.123) 10.338 27.250 ( 9.887 7.867 6.743) 14.322 27.331 ( 5.763 3.412 6.438) 9.290 27.376 ( 6.322 1.291 2.719) 7.002 27.484 ( 3.920 -4.625 1.388) 6.219 27.738 ( 1.206 0.153 2.331) 2.629 27.787 ( 0.839 -3.476 -1.944) 4.070 28.183 ( -1.205 1.157 -1.742) 2.414 28.226 ( -1.921 -2.218 -0.798) 3.041 28.232 ( 0.310 4.290 1.063) 4.431 28.337 ( -0.090 -4.409 -0.137) 4.412 28.617 ( -11.409 -1.023 -13.339) 17.582 28.617 ( -11.840 -1.393 -10.763) 16.062 28.937 ( -2.655 4.004 -0.165) 4.807 29.000 ( -4.741 -2.116 -1.286) 5.349 29.146 ( 1.010 0.912 -1.436) 1.978 29.154 ( 2.708 -0.292 0.938) 2.880 29.699 ( 5.225 5.768 1.936) 8.020 29.790 ( -2.328 -3.227 -3.193) 5.101 29.904 ( 8.724 1.260 8.867) 12.503 29.959 ( 6.743 -3.267 8.617) 11.419 30.086 ( 2.992 5.591 2.254) 6.730 30.244 ( 6.859 -10.690 2.396) 12.925 31.104 ( -4.350 3.673 -6.381) 8.552 31.167 ( -3.654 -3.228 -5.691) 7.494 31.877 ( 5.578 1.548 0.446) 5.806 31.904 ( 3.192 -0.750 -1.737) 3.711 32.160 ( -4.177 5.139 0.874) 6.680 32.209 ( -1.370 1.538 2.708) 3.402 32.341 ( -3.413 -1.804 -0.411) 3.882 32.361 ( -1.936 -2.890 1.723) 3.882 32.882 ( 2.373 0.776 2.859) 3.795 32.906 ( 1.732 -1.139 3.735) 4.272 33.025 ( -0.420 5.364 -1.038) 5.479 33.154 ( 3.099 -6.541 1.299) 7.354 33.223 ( 1.784 0.915 -3.140) 3.725 33.265 ( 1.177 -4.464 -5.856) 7.457 34.389 ( -2.629 8.271 4.770) 9.903 34.504 ( 0.951 -4.425 6.322) 7.775 38.475 ( -0.412 5.164 0.658) 5.222 38.555 ( -0.286 3.694 -3.546) 5.128 38.599 ( 0.488 -5.928 3.189) 6.749 38.695 ( -0.270 -9.293 -7.572) 11.990 39.763 ( -5.655 6.301 0.056) 8.466 39.839 ( -3.688 -1.494 0.119) 3.981 40.411 ( -0.896 11.417 3.565) 11.995 40.536 ( 1.356 -1.727 4.317) 4.843 41.437 ( -1.812 0.471 0.355) 1.905 41.495 ( -0.925 -5.401 -1.191) 5.608 42.258 ( 1.282 6.581 -0.228) 6.708 42.355 ( 1.948 -3.836 -2.749) 5.105 42.651 ( 6.545 2.131 -5.055) 8.539 42.669 ( 5.761 0.107 -2.987) 6.490 43.100 ( -8.098 -1.268 7.749) 11.279 43.184 ( -6.621 -9.420 0.709) 11.536 ======================= Grid point 90 (48/84) ======================= q-point: ( 0.38 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -10.905 10.236 -4.056) 15.497 1.997 ( -13.645 -10.184 -3.240) 17.332 2.346 ( -7.123 6.935 1.385) 10.038 2.370 ( -9.183 -0.050 0.537) 9.199 2.473 ( -0.180 10.548 5.817) 12.047 2.556 ( -0.870 14.714 0.809) 14.762 2.774 ( -6.573 -2.625 1.289) 7.194 2.864 ( 0.499 -17.116 -1.362) 17.177 3.049 ( 2.163 4.825 -1.642) 5.537 3.152 ( 1.203 -0.711 -9.825) 9.924 3.256 ( 2.370 -5.518 -1.438) 6.175 3.334 ( 2.068 -6.274 -0.278) 6.612 3.443 ( -3.769 2.720 4.589) 6.532 3.524 ( -3.380 -4.357 4.071) 6.855 3.693 ( -7.000 2.907 -4.004) 8.572 3.737 ( -7.562 -1.969 -5.077) 9.318 3.953 ( 2.090 -0.298 5.086) 5.506 3.991 ( 3.623 -4.570 6.181) 8.498 4.290 ( 2.199 13.158 -1.409) 13.415 4.428 ( 1.891 -0.869 0.675) 2.188 4.561 ( 2.119 0.323 0.749) 2.271 4.622 ( 0.400 -5.595 0.088) 5.610 4.917 ( -0.428 3.915 -0.685) 3.998 5.039 ( -4.306 1.280 -0.092) 4.493 5.059 ( -2.983 -2.759 2.115) 4.581 5.142 ( -3.188 -2.635 1.347) 4.350 5.554 ( 7.850 6.946 1.775) 10.631 5.596 ( 4.064 1.083 0.908) 4.302 5.680 ( 0.502 1.201 1.618) 2.077 5.741 ( 6.200 -1.791 -5.827) 8.695 5.827 ( -3.389 2.837 -3.618) 5.711 5.856 ( -0.985 -2.451 -4.558) 5.268 5.922 ( 4.840 11.693 3.726) 13.192 6.063 ( 1.088 1.288 2.144) 2.727 6.159 ( 6.583 -1.920 -2.460) 7.285 6.190 ( -1.726 5.029 -4.443) 6.929 6.267 ( 1.087 -10.976 -1.304) 11.107 6.372 ( -3.037 -9.781 2.112) 10.457 6.490 ( 2.826 4.052 3.650) 6.142 6.574 ( -3.236 -5.715 0.287) 6.574 6.641 ( 0.613 6.493 4.499) 7.923 6.832 ( 1.252 -8.125 0.966) 8.277 6.953 ( -8.668 1.915 -1.242) 8.963 7.005 ( -9.941 -6.261 -3.753) 12.333 7.313 ( -4.317 6.080 -1.035) 7.528 7.479 ( -2.535 -9.502 0.244) 9.838 7.509 ( 1.780 2.450 0.771) 3.125 7.660 ( 3.677 -9.336 1.430) 10.136 7.845 ( 3.717 4.942 -2.317) 6.604 7.951 ( 1.427 -6.075 -2.203) 6.617 8.371 ( 0.297 12.783 -1.126) 12.836 8.570 ( -0.530 -7.231 -1.376) 7.380 8.804 ( -0.318 2.731 2.160) 3.496 8.843 ( 4.401 0.051 1.555) 4.668 9.005 ( 3.537 0.576 -2.075) 4.141 9.067 ( 0.083 -5.357 1.005) 5.451 9.181 ( 1.166 7.212 3.334) 8.031 9.352 ( 1.794 -10.678 2.477) 11.107 9.445 ( -0.494 17.372 4.484) 17.948 9.744 ( 2.050 -11.591 -0.067) 11.771 9.887 ( 2.218 2.594 0.548) 3.457 9.932 ( 2.066 -3.338 -1.659) 4.262 10.028 ( -1.501 2.843 0.317) 3.231 10.110 ( -2.679 -4.654 0.643) 5.409 10.450 ( -0.914 11.247 -0.159) 11.285 10.571 ( -0.527 -1.223 -0.037) 1.332 10.707 ( 5.856 7.246 -0.389) 9.325 10.805 ( 6.247 -1.148 0.237) 6.356 11.005 ( 5.158 -1.293 1.675) 5.576 11.028 ( 3.422 -2.002 1.596) 4.274 11.342 ( -1.336 5.296 0.083) 5.462 11.422 ( -1.810 0.529 -1.716) 2.550 11.470 ( -2.933 -3.859 1.128) 4.976 11.502 ( -3.962 -2.169 -1.249) 4.686 11.830 ( -2.765 6.510 -1.357) 7.202 11.987 ( 0.783 -9.034 -1.325) 9.164 12.374 ( -3.717 3.473 -1.982) 5.460 12.441 ( -5.890 -1.766 1.465) 6.321 12.511 ( -0.668 2.529 -0.859) 2.753 12.564 ( -2.842 -3.623 -2.583) 5.280 12.833 ( 0.024 2.920 -2.039) 3.561 12.885 ( -1.680 -2.535 1.210) 3.273 13.062 ( 1.460 3.465 -1.181) 3.941 13.126 ( -0.240 -0.804 0.564) 1.010 13.405 ( -1.914 4.473 2.470) 5.456 13.453 ( 1.847 0.312 -0.262) 1.891 13.868 ( 7.852 4.356 -1.221) 9.062 13.981 ( 6.232 -3.650 0.807) 7.267 14.114 ( -5.715 2.254 1.308) 6.281 14.228 ( -2.181 -10.129 0.126) 10.362 14.653 ( 0.957 4.803 0.913) 4.982 14.742 ( 0.677 -4.472 -0.185) 4.526 14.996 ( -0.452 1.485 0.852) 1.771 15.013 ( -1.263 0.545 0.803) 1.592 15.302 ( 0.006 0.112 -1.085) 1.091 15.315 ( 1.586 0.036 4.618) 4.883 15.462 ( -3.131 -0.285 -1.004) 3.300 15.557 ( -2.964 -7.024 -1.534) 7.777 16.026 ( 1.182 11.495 -1.773) 11.691 16.103 ( 1.078 8.327 3.082) 8.945 16.222 ( 2.817 -5.909 -0.073) 6.547 16.284 ( 0.695 -7.487 1.615) 7.691 16.679 ( 0.164 0.132 -0.608) 0.644 16.704 ( -2.564 -2.312 -3.500) 4.916 17.405 ( 2.186 5.678 0.452) 6.101 17.445 ( -1.221 1.489 -1.640) 2.529 17.503 ( -0.201 0.565 -1.509) 1.624 17.671 ( 0.502 -9.573 -3.074) 10.067 17.857 ( 0.149 10.425 2.301) 10.677 17.968 ( 0.216 4.208 4.632) 6.262 18.106 ( 4.024 -9.480 4.663) 11.305 18.145 ( 1.042 -8.826 1.920) 9.093 18.300 ( 3.079 6.018 3.166) 7.465 18.395 ( 6.950 -3.764 7.123) 10.640 18.654 ( -5.938 4.112 -5.871) 9.307 18.746 ( -4.596 -4.914 -5.781) 8.871 19.052 ( -1.713 5.473 -2.524) 6.265 19.136 ( -2.837 -2.543 -3.568) 5.220 19.272 ( -1.343 4.993 0.310) 5.179 19.332 ( -2.546 -1.347 -1.596) 3.293 19.422 ( -2.201 0.405 -1.788) 2.864 19.466 ( -3.597 -4.135 -2.589) 6.061 19.817 ( -0.473 5.089 -0.023) 5.111 19.892 ( -0.246 0.020 1.262) 1.286 19.998 ( 1.602 0.974 1.215) 2.235 20.093 ( 1.512 -6.025 1.966) 6.516 20.592 ( 2.223 2.150 1.985) 3.675 20.641 ( 0.715 -2.796 1.403) 3.209 20.992 ( -3.835 9.056 -4.794) 10.941 21.151 ( -4.034 -7.660 -4.019) 9.545 21.843 ( 0.944 8.373 0.774) 8.462 21.992 ( 1.197 -7.469 -0.180) 7.567 22.116 ( -0.150 2.472 -0.832) 2.613 22.184 ( 0.353 -4.553 -0.247) 4.574 22.459 ( 2.019 7.847 0.231) 8.106 22.567 ( 1.198 3.158 -0.066) 3.378 22.595 ( 1.038 -3.690 0.788) 3.914 22.641 ( 3.102 -6.335 -0.682) 7.087 23.381 ( 7.541 7.200 5.805) 11.933 23.535 ( 9.541 -8.803 6.925) 14.713 24.175 ( -3.301 13.623 -6.837) 15.596 24.389 ( -9.992 -9.033 -9.356) 16.400 24.919 ( -1.034 1.465 0.037) 1.794 24.957 ( -1.296 -2.331 0.027) 2.667 25.395 ( 0.435 11.277 1.949) 11.452 25.621 ( -0.324 -12.112 2.871) 12.452 25.780 ( 2.470 1.596 0.665) 3.015 25.823 ( 1.584 -2.844 1.656) 3.652 26.383 ( -3.053 0.256 -1.592) 3.452 26.439 ( -4.678 -5.489 0.525) 7.231 27.374 ( 0.570 12.498 0.084) 12.512 27.446 ( 1.020 6.781 1.576) 7.036 27.522 ( 6.020 0.248 0.044) 6.025 27.549 ( 4.480 -2.384 0.300) 5.084 27.759 ( -1.685 -1.462 -1.328) 2.596 27.828 ( 1.366 -9.554 4.941) 10.843 28.181 ( 2.438 0.644 1.836) 3.119 28.201 ( -0.108 -0.638 -0.326) 0.725 28.261 ( -2.277 1.380 -1.261) 2.947 28.297 ( -6.038 -0.638 -7.860) 9.932 28.325 ( -0.553 1.460 2.642) 3.069 28.421 ( -1.186 -5.685 2.490) 6.319 28.909 ( -1.814 2.728 0.728) 3.356 28.935 ( -2.683 0.067 0.028) 2.684 29.179 ( 1.997 3.229 -0.834) 3.887 29.234 ( 2.364 -2.643 0.528) 3.585 29.695 ( 0.461 2.675 -1.033) 2.905 29.743 ( 0.560 -2.817 0.237) 2.882 29.937 ( -3.804 4.305 -0.852) 5.808 30.010 ( -1.504 -2.599 -0.301) 3.018 30.374 ( 6.058 2.030 8.984) 11.025 30.452 ( 5.258 -6.074 5.874) 9.952 30.964 ( -1.736 7.621 -2.855) 8.321 31.090 ( 1.356 -5.780 -0.805) 5.991 31.861 ( 0.881 -0.045 -6.205) 6.268 31.871 ( 1.678 -2.087 -4.141) 4.931 32.193 ( 2.287 3.837 2.558) 5.148 32.242 ( -1.031 2.794 -0.532) 3.025 32.271 ( -3.693 -2.550 -2.287) 5.037 32.301 ( -2.814 -2.405 -1.108) 3.864 32.894 ( 1.305 3.627 -4.490) 5.918 32.939 ( 0.797 -0.473 -0.776) 1.209 33.032 ( -0.483 2.386 1.807) 3.032 33.178 ( 1.398 -10.783 -2.947) 11.266 33.257 ( 2.800 1.947 4.407) 5.573 33.304 ( 0.848 -2.115 6.827) 7.198 34.367 ( -2.386 10.797 -3.023) 11.463 34.538 ( -1.246 -7.946 -1.757) 8.232 38.484 ( -0.323 5.826 0.755) 5.883 38.545 ( 0.327 3.263 2.797) 4.311 38.618 ( -0.435 -6.188 -3.059) 6.917 38.681 ( 1.424 -8.832 7.135) 11.443 39.686 ( -3.650 7.072 -1.888) 8.180 39.785 ( -2.835 -2.993 -1.242) 4.305 40.422 ( -1.022 12.169 -0.113) 12.212 40.565 ( -0.785 -2.796 -0.921) 3.046 41.413 ( -0.842 0.490 -0.564) 1.126 41.471 ( 0.140 -5.502 -1.231) 5.640 42.250 ( 1.148 6.459 -3.012) 7.219 42.345 ( 1.894 -3.784 -2.628) 4.981 42.673 ( 6.596 3.117 -6.457) 9.743 42.714 ( 5.258 -0.885 -3.124) 6.180 43.076 ( -7.934 -1.815 7.745) 11.235 43.128 ( -6.010 -6.830 5.068) 10.415 ======================= Grid point 91 (49/84) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 12.595 4.337 11.662) 17.705 2.046 ( 14.163 -12.043 12.002) 22.128 2.236 ( -6.314 5.556 0.614) 8.433 2.346 ( 0.840 -2.521 3.089) 4.075 2.463 ( -5.091 14.826 -0.809) 15.696 2.588 ( -0.395 12.577 4.909) 13.506 2.760 ( 0.838 2.621 2.899) 3.997 2.830 ( 2.460 -12.035 -6.495) 13.895 3.041 ( -0.976 -1.442 -1.979) 2.636 3.073 ( 1.365 0.596 -6.305) 6.479 3.254 ( -0.411 -5.422 -3.516) 6.475 3.314 ( -0.323 -7.867 -3.291) 8.533 3.360 ( -8.507 2.050 -4.444) 9.814 3.401 ( -8.755 -1.770 -5.139) 10.305 3.618 ( 3.804 2.908 -0.672) 4.835 3.690 ( 1.986 -4.599 2.358) 5.536 4.058 ( 0.545 1.619 6.123) 6.357 4.119 ( 1.670 -4.348 5.328) 7.077 4.311 ( 1.875 11.094 -0.682) 11.272 4.422 ( -1.364 0.168 -0.885) 1.634 4.595 ( 1.422 -2.384 -0.093) 2.778 4.608 ( -0.153 -2.214 0.123) 2.222 4.838 ( -3.727 5.153 -6.333) 8.975 4.995 ( -4.479 -2.452 -1.737) 5.393 5.021 ( -0.414 -1.464 0.808) 1.722 5.125 ( -2.925 -4.882 1.466) 5.877 5.522 ( -6.650 1.680 -8.458) 10.890 5.561 ( -3.320 -2.117 -9.419) 10.209 5.621 ( 0.367 6.625 -0.096) 6.636 5.703 ( 1.072 0.643 -2.916) 3.173 5.829 ( 3.563 -2.094 0.649) 4.184 5.841 ( 1.830 -5.394 -3.260) 6.563 5.973 ( -5.417 11.790 -4.858) 13.854 6.025 ( -1.267 4.833 2.741) 5.699 6.167 ( -0.183 -5.497 1.463) 5.691 6.204 ( -1.779 -9.285 -3.486) 10.076 6.314 ( 4.372 1.760 -1.567) 4.967 6.382 ( 8.510 -3.203 4.007) 9.936 6.542 ( 1.455 8.241 4.411) 9.460 6.586 ( 1.628 4.056 -1.060) 4.497 6.707 ( -4.971 0.516 5.928) 7.754 6.820 ( -0.798 4.849 2.135) 5.358 6.881 ( -2.643 -9.412 0.005) 9.776 6.933 ( 5.606 -6.651 0.060) 8.698 7.359 ( 1.177 1.446 1.722) 2.538 7.439 ( -5.050 -6.602 -2.538) 8.691 7.560 ( 6.984 0.640 6.190) 9.354 7.660 ( 2.569 -8.757 3.670) 9.836 8.016 ( 9.228 1.026 5.218) 10.651 8.035 ( 4.264 -0.218 7.361) 8.510 8.325 ( -1.501 9.649 -4.891) 10.922 8.478 ( -5.851 -6.529 -5.321) 10.255 8.776 ( -1.813 4.193 -1.196) 4.722 8.833 ( -3.289 -1.846 -3.740) 5.311 9.091 ( 1.665 5.204 0.381) 5.477 9.138 ( 1.255 1.443 -0.412) 1.957 9.272 ( 3.337 0.075 14.545) 14.923 9.382 ( -0.038 -6.913 4.057) 8.015 9.501 ( -1.855 11.278 7.151) 13.482 9.745 ( -0.853 -8.809 -1.021) 8.909 9.933 ( 0.308 1.261 2.074) 2.447 9.956 ( -0.589 -3.554 1.444) 3.881 10.037 ( 3.789 1.939 0.827) 4.336 10.115 ( 1.348 -4.935 1.503) 5.332 10.424 ( -0.392 10.715 -2.002) 10.908 10.547 ( -1.440 -2.420 -2.772) 3.952 10.667 ( -4.892 10.491 -4.837) 12.545 10.882 ( 1.118 -7.557 -0.754) 7.676 11.028 ( -2.962 1.634 0.779) 3.471 11.038 ( -3.857 1.814 -1.245) 4.441 11.256 ( -1.143 6.654 -4.866) 8.322 11.359 ( -1.884 -1.231 -3.258) 3.960 11.405 ( -2.180 1.135 -3.528) 4.300 11.512 ( 1.640 -7.574 3.644) 8.564 11.821 ( 3.080 7.462 -0.525) 8.090 11.997 ( 2.907 -9.405 -1.980) 10.041 12.309 ( -1.971 1.724 -2.693) 3.756 12.344 ( -5.173 -2.254 -2.046) 6.003 12.549 ( 2.323 -0.155 1.841) 2.968 12.569 ( 6.805 -2.402 0.825) 7.263 12.843 ( 1.954 2.401 0.402) 3.122 12.887 ( -1.048 -1.933 1.856) 2.877 13.043 ( -0.541 3.184 -2.382) 4.013 13.125 ( 0.353 -3.474 -1.215) 3.697 13.426 ( -1.169 6.258 4.497) 7.795 13.489 ( 1.480 -0.118 2.153) 2.616 13.958 ( 4.658 2.607 -2.996) 6.121 14.009 ( -1.193 -0.047 -2.048) 2.371 14.042 ( -5.141 6.054 3.186) 8.557 14.244 ( 1.753 -11.756 3.087) 12.280 14.610 ( -3.623 3.967 -4.233) 6.840 14.669 ( -3.448 -2.239 -5.116) 6.563 15.022 ( 0.674 2.160 2.910) 3.686 15.059 ( 1.376 -1.048 3.920) 4.285 15.246 ( -1.677 4.042 -2.297) 4.942 15.325 ( -2.237 -4.886 -1.709) 5.639 15.535 ( 5.298 2.412 8.346) 10.175 15.638 ( 6.072 -6.802 7.719) 11.947 16.015 ( 0.275 8.668 -1.017) 8.732 16.104 ( -3.808 3.567 -1.082) 5.329 16.247 ( 1.066 -4.010 -0.707) 4.209 16.278 ( -2.799 -5.625 0.301) 6.290 16.640 ( 0.578 1.699 -2.312) 2.927 16.701 ( 2.007 -4.288 -1.262) 4.900 17.408 ( -0.695 6.988 -1.641) 7.212 17.439 ( 1.912 1.448 1.886) 3.051 17.565 ( 1.161 1.339 0.918) 1.996 17.632 ( 0.482 -3.695 -3.808) 5.328 17.763 ( -4.831 8.271 -5.014) 10.812 17.968 ( -5.734 3.592 -1.805) 7.003 18.013 ( -7.866 -14.245 -6.181) 17.407 18.062 ( -6.070 -6.144 -3.892) 9.473 18.226 ( -2.111 1.920 -3.643) 4.628 18.274 ( -4.105 -2.671 -5.319) 7.230 18.828 ( 4.330 3.751 7.044) 9.079 18.900 ( 3.097 -3.536 5.989) 7.613 19.101 ( 5.911 6.718 4.233) 9.899 19.199 ( 6.781 -3.378 4.121) 8.624 19.293 ( 1.473 2.148 -2.320) 3.488 19.331 ( 5.500 -0.194 5.414) 7.721 19.407 ( 3.499 0.953 2.510) 4.411 19.465 ( 5.029 -3.685 5.994) 8.648 19.825 ( 0.898 3.137 1.305) 3.514 19.886 ( -0.641 -2.470 -0.380) 2.580 20.043 ( -0.319 5.250 4.149) 6.699 20.154 ( 0.934 -4.917 3.642) 6.190 20.533 ( -5.151 3.287 -5.836) 8.450 20.599 ( -3.819 -4.077 -4.133) 6.949 21.052 ( 9.898 9.142 6.465) 14.945 21.220 ( 9.986 -8.235 7.894) 15.161 21.794 ( -5.043 10.696 -5.261) 12.943 21.984 ( -1.734 -9.152 -2.040) 9.536 22.123 ( 1.520 1.899 0.521) 2.488 22.177 ( -0.010 -3.751 -1.046) 3.894 22.420 ( -4.125 6.419 -5.557) 9.439 22.527 ( -5.432 -2.991 -7.935) 10.071 22.598 ( -0.704 -0.314 -0.105) 0.778 22.628 ( -0.058 -1.825 -0.489) 1.891 23.107 ( -13.882 5.033 -18.237) 23.465 23.234 ( -18.526 -8.002 -22.854) 30.488 24.449 ( 17.266 12.588 17.514) 27.628 24.633 ( 16.977 -7.555 16.730) 25.004 24.912 ( -0.107 1.365 0.066) 1.371 24.945 ( -0.144 -1.869 -0.176) 1.883 25.343 ( -4.795 11.362 -2.933) 12.676 25.554 ( -6.224 -10.065 -4.389) 12.622 25.842 ( 1.690 -0.304 4.256) 4.590 25.887 ( 0.881 -3.931 4.488) 6.031 26.421 ( 4.777 -0.027 4.222) 6.375 26.466 ( 2.199 -5.313 5.279) 7.806 27.313 ( -3.663 7.187 -6.171) 10.157 27.343 ( -5.210 5.469 -7.732) 10.809 27.549 ( -3.820 -2.210 -2.174) 4.919 27.567 ( -0.356 -1.716 -0.639) 1.865 27.727 ( -0.581 2.006 -0.587) 2.169 27.817 ( -1.661 -6.032 -0.792) 6.306 28.203 ( 0.341 2.233 1.700) 2.827 28.206 ( -0.052 3.295 1.120) 3.481 28.244 ( -0.533 -1.876 1.234) 2.308 28.300 ( 3.552 -4.593 3.191) 6.625 28.539 ( 9.967 1.991 14.760) 17.921 28.581 ( 9.489 -1.657 13.006) 16.185 28.892 ( -1.163 2.192 0.108) 2.484 28.919 ( 0.015 -0.864 0.479) 0.988 29.160 ( -0.440 2.277 -2.923) 3.731 29.197 ( -2.783 -1.792 -3.896) 5.112 29.731 ( 2.969 4.807 2.051) 6.011 29.791 ( 1.172 -1.999 3.614) 4.293 29.919 ( 0.340 1.567 0.491) 1.677 29.978 ( 0.288 -3.768 -2.141) 4.344 30.228 ( -14.809 7.713 -9.705) 19.313 30.404 ( -10.019 -10.954 -6.464) 16.191 31.124 ( 8.336 4.549 12.115) 15.394 31.197 ( 5.051 -3.067 8.020) 9.962 31.849 ( 6.057 2.578 -3.903) 7.653 31.911 ( 6.252 -3.945 -1.438) 7.531 32.097 ( -7.177 2.825 -7.418) 10.701 32.125 ( -3.427 -0.246 -5.407) 6.406 32.256 ( 0.877 0.897 -0.594) 1.388 32.302 ( -1.001 -3.211 -1.715) 3.775 32.856 ( 0.893 3.322 -3.810) 5.133 32.896 ( -2.332 -0.894 -3.833) 4.575 33.044 ( -0.167 2.090 1.044) 2.342 33.163 ( 0.797 -8.937 -2.035) 9.200 33.375 ( 1.692 2.383 9.114) 9.571 33.428 ( 0.211 -2.606 12.029) 12.310 34.242 ( -2.797 10.843 -10.417) 15.294 34.418 ( -4.040 -8.355 -10.509) 14.020 38.485 ( -0.484 2.300 0.871) 2.506 38.564 ( -0.506 -5.367 -1.010) 5.484 38.664 ( 1.691 7.310 9.581) 12.170 38.826 ( 2.190 -8.747 11.612) 14.702 39.606 ( -0.363 7.783 -5.888) 9.766 39.725 ( -0.153 -4.237 -4.627) 6.276 40.376 ( -2.150 10.235 -2.968) 10.871 40.494 ( -2.449 -2.195 -5.763) 6.635 41.407 ( 0.412 0.909 0.041) 0.999 41.472 ( 1.341 -5.797 -0.637) 5.984 42.232 ( 1.066 7.250 -2.455) 7.728 42.348 ( 1.966 -5.156 -1.894) 5.834 42.684 ( 6.029 4.003 -6.902) 10.000 42.733 ( 2.884 -0.839 -3.975) 4.982 43.069 ( -7.188 -0.484 8.839) 11.403 43.135 ( -2.328 -7.036 6.367) 9.770 ======================= Grid point 92 (50/84) ======================= q-point: (-0.38 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -7.312 11.595 -0.758) 13.729 2.192 ( 1.565 6.645 1.805) 7.062 2.307 ( 6.426 -3.612 3.645) 8.223 2.344 ( -6.346 -4.080 0.083) 7.545 2.580 ( 10.902 3.623 -1.231) 11.554 2.688 ( 8.681 -3.552 1.169) 9.452 2.793 ( 0.863 7.090 0.865) 7.194 2.828 ( 4.868 8.844 1.791) 10.253 2.989 ( -3.436 -1.517 1.803) 4.166 3.036 ( 1.809 -2.912 -5.810) 6.746 3.103 ( 4.119 0.150 -3.099) 5.157 3.190 ( -5.479 -7.138 -1.021) 9.056 3.361 ( 7.334 -2.972 2.812) 8.398 3.385 ( 7.798 -4.527 0.086) 9.018 3.697 ( 3.344 1.819 0.264) 3.816 3.755 ( 3.678 -5.144 0.462) 6.340 4.105 ( 0.206 1.487 1.424) 2.069 4.150 ( 0.412 -2.863 -1.961) 3.495 4.336 ( 2.478 7.126 1.656) 7.724 4.418 ( 1.078 -1.185 1.446) 2.158 4.564 ( -0.823 0.037 -3.921) 4.007 4.624 ( -1.610 -4.143 -2.821) 5.264 4.740 ( -1.189 8.755 1.972) 9.053 4.905 ( -3.714 2.016 -2.123) 4.729 5.029 ( 0.490 -8.224 2.071) 8.495 5.059 ( -6.009 -5.953 -2.213) 8.744 5.396 ( -0.061 3.304 0.875) 3.419 5.475 ( 1.674 -3.734 -2.850) 4.987 5.592 ( -2.519 2.013 -0.136) 3.228 5.675 ( -3.196 1.695 0.768) 3.698 5.752 ( -1.797 -1.616 -8.696) 9.026 5.850 ( -1.626 -4.423 -1.541) 4.958 5.937 ( 3.910 2.973 -1.661) 5.185 5.999 ( 2.961 2.000 -2.465) 4.341 6.124 ( -1.125 -0.101 -1.052) 1.544 6.216 ( 0.607 -6.130 2.206) 6.543 6.397 ( 3.440 7.274 0.608) 8.069 6.520 ( 3.223 -5.684 0.524) 6.555 6.568 ( 1.372 1.846 0.780) 2.428 6.587 ( 1.342 0.064 1.772) 2.223 6.740 ( -1.561 6.338 5.616) 8.611 6.836 ( -3.575 -2.558 1.900) 4.789 6.924 ( 7.766 5.871 0.854) 9.773 7.047 ( 5.549 -6.319 1.741) 8.588 7.275 ( -5.246 -0.118 -5.423) 7.547 7.308 ( -2.023 -3.854 -2.572) 5.056 7.812 ( 4.130 2.098 8.945) 10.073 7.856 ( 5.281 -3.630 10.374) 12.194 8.119 ( -0.808 3.319 -5.449) 6.432 8.175 ( -3.703 -2.815 -1.721) 4.960 8.240 ( 1.668 2.709 -0.349) 3.201 8.310 ( -0.430 -5.399 -1.355) 5.583 8.695 ( -5.284 2.154 -3.273) 6.578 8.729 ( -1.766 -1.631 -2.036) 3.150 9.069 ( -2.283 5.582 0.547) 6.055 9.130 ( -1.158 0.192 -0.713) 1.374 9.440 ( -1.622 6.322 6.075) 8.916 9.525 ( 3.005 -2.944 8.889) 9.834 9.587 ( -1.793 3.037 12.198) 12.697 9.720 ( -2.086 -6.326 3.044) 7.324 9.859 ( -6.207 3.049 -3.313) 7.668 9.966 ( -1.306 -8.325 -0.658) 8.452 10.119 ( 4.324 3.484 0.676) 5.594 10.207 ( 6.204 -4.729 1.245) 7.899 10.308 ( -9.252 7.511 -7.827) 14.257 10.426 ( -0.490 1.778 -4.755) 5.100 10.604 ( -3.699 6.270 3.422) 8.044 10.809 ( -6.201 -8.562 -1.345) 10.657 10.953 ( -2.656 0.893 -1.282) 3.082 10.970 ( -4.741 0.073 0.006) 4.742 11.237 ( 1.086 5.796 0.357) 5.908 11.333 ( 1.944 -2.845 -2.056) 4.012 11.377 ( 2.854 5.184 0.137) 5.920 11.561 ( -1.169 -10.720 0.597) 10.800 11.894 ( 9.161 8.853 -2.993) 13.086 12.020 ( 4.915 -3.380 -2.146) 6.340 12.240 ( -4.444 -1.638 -0.110) 4.738 12.254 ( -2.343 -3.346 -3.176) 5.174 12.627 ( 6.664 2.927 -0.764) 7.319 12.716 ( 10.066 -4.770 0.252) 11.142 12.852 ( -2.805 1.128 -0.545) 3.072 12.868 ( -2.457 -0.449 -0.160) 2.502 13.032 ( 1.914 0.942 0.092) 2.135 13.113 ( 0.674 -5.478 -1.078) 5.624 13.474 ( -0.684 6.942 4.420) 8.258 13.547 ( 1.253 -0.277 3.427) 3.660 13.876 ( -6.202 2.093 -1.872) 6.808 13.898 ( -6.943 -1.037 -3.609) 7.893 14.123 ( 3.275 9.482 4.844) 11.140 14.303 ( 0.800 -6.017 -0.615) 6.101 14.531 ( 1.107 1.670 -0.444) 2.052 14.578 ( -0.738 -2.308 -2.558) 3.524 15.074 ( 0.922 2.517 2.633) 3.758 15.122 ( 1.014 -1.916 2.945) 3.657 15.219 ( 0.535 5.215 -1.241) 5.387 15.289 ( 0.919 -2.531 -1.408) 3.038 15.712 ( 2.295 2.985 6.778) 7.754 15.793 ( 1.191 -4.405 2.933) 5.425 15.998 ( -3.144 0.272 -0.179) 3.160 16.026 ( 0.523 -1.317 0.512) 1.507 16.222 ( -2.461 -0.896 -0.124) 2.621 16.250 ( -1.115 -2.454 -0.587) 2.758 16.642 ( 1.504 1.115 -1.742) 2.557 16.688 ( 0.803 -2.914 -3.845) 4.891 17.354 ( -5.179 6.337 -3.961) 9.092 17.414 ( 0.361 4.770 -0.118) 4.786 17.557 ( 3.735 -0.602 4.497) 5.877 17.636 ( -4.167 0.486 -2.967) 5.139 17.721 ( 2.772 -0.081 0.316) 2.791 17.788 ( -7.029 0.083 -8.185) 10.789 17.962 ( 2.905 -3.013 5.459) 6.879 17.996 ( -1.639 -6.664 2.005) 7.149 18.173 ( -0.883 1.930 -1.868) 2.827 18.235 ( 2.276 -5.248 -1.127) 5.830 18.906 ( 0.948 1.998 1.939) 2.941 18.920 ( 0.314 0.922 1.389) 1.696 19.188 ( 1.974 2.213 1.001) 3.130 19.220 ( 0.717 0.268 -2.967) 3.064 19.268 ( -0.710 0.784 -3.197) 3.367 19.351 ( 0.849 -5.791 -5.639) 8.127 19.669 ( 5.822 2.336 10.221) 11.993 19.711 ( 3.162 -2.349 5.807) 7.017 19.877 ( 0.576 2.197 1.194) 2.566 19.914 ( 2.216 -1.257 1.370) 2.893 20.064 ( -2.046 8.158 4.884) 9.726 20.205 ( 0.428 -5.704 3.636) 6.778 20.375 ( -3.595 4.155 -5.601) 7.846 20.476 ( -1.581 -5.569 -4.982) 7.637 21.398 ( 16.774 11.336 13.073) 24.099 21.516 ( -12.272 13.999 -14.599) 23.658 21.610 ( 18.151 -9.491 16.524) 26.316 21.781 ( -14.350 -12.580 -15.044) 24.300 22.173 ( 2.294 0.633 1.582) 2.858 22.191 ( 2.890 -1.095 1.433) 3.406 22.226 ( -5.298 0.635 -6.922) 8.740 22.255 ( -7.326 -2.117 -9.793) 12.412 22.601 ( -0.559 1.740 1.840) 2.594 22.631 ( -0.671 -0.484 0.567) 1.003 22.817 ( -5.235 0.637 -5.696) 7.762 22.867 ( -4.153 -3.875 -6.254) 8.448 24.826 ( -6.288 6.916 -3.552) 9.999 24.842 ( 7.595 7.667 7.248) 13.000 24.932 ( 2.362 -1.989 1.598) 3.477 24.947 ( 0.137 -2.901 -0.769) 3.004 25.314 ( 1.098 2.664 3.052) 4.198 25.420 ( 0.245 -5.540 -1.319) 5.700 25.914 ( -2.157 -2.482 3.453) 4.768 25.933 ( 0.006 -4.788 4.199) 6.369 26.555 ( 2.565 0.645 1.163) 2.889 26.588 ( 7.654 -2.577 4.293) 9.147 27.136 ( -5.025 3.885 -5.604) 8.471 27.214 ( -1.573 -3.431 -5.286) 6.495 27.438 ( -6.833 2.511 0.775) 7.321 27.524 ( -5.333 -5.151 0.477) 7.430 27.731 ( 1.497 5.160 0.426) 5.390 27.821 ( 2.165 -3.521 -0.330) 4.146 28.212 ( -0.727 3.259 1.164) 3.537 28.257 ( 0.854 -1.542 2.165) 2.792 28.289 ( 2.891 3.174 3.930) 5.820 28.355 ( 1.879 -3.073 1.130) 3.775 28.772 ( -1.018 3.685 3.460) 5.156 28.836 ( -1.176 -2.799 4.310) 5.272 28.908 ( 4.148 3.680 0.875) 5.614 28.973 ( 4.361 -3.144 1.490) 5.579 29.146 ( 2.689 0.953 0.287) 2.867 29.162 ( 4.761 -0.568 1.404) 4.996 29.729 ( -12.541 9.671 -4.661) 16.508 29.831 ( 2.064 1.428 0.803) 2.635 29.862 ( 0.386 -1.656 3.182) 3.608 29.918 ( -6.193 -6.819 -0.313) 9.217 30.088 ( 4.663 3.599 2.432) 6.373 30.226 ( 1.511 -10.729 -2.793) 11.189 31.323 ( 0.668 3.218 9.479) 10.033 31.390 ( 1.265 -4.150 11.323) 12.126 31.753 ( -5.818 5.551 -14.391) 16.485 31.841 ( -5.849 -3.273 -12.347) 14.049 32.041 ( 3.492 3.911 1.447) 5.439 32.095 ( 2.277 -1.707 -0.862) 2.974 32.224 ( -0.468 0.209 -4.305) 4.336 32.260 ( 3.797 -3.136 -1.403) 5.120 32.785 ( -4.538 2.083 -3.560) 6.132 32.828 ( -1.934 -2.118 -1.590) 3.279 33.053 ( 0.184 2.187 0.316) 2.217 33.148 ( 0.029 -7.037 -1.604) 7.217 33.538 ( 1.257 4.354 13.752) 14.479 33.610 ( 0.586 -2.929 15.667) 15.949 34.055 ( -0.893 8.827 -13.746) 16.360 34.196 ( -3.385 -6.257 -14.728) 16.356 38.495 ( -0.158 0.322 1.377) 1.423 38.547 ( -0.169 -4.963 -0.836) 5.036 38.831 ( 0.248 10.190 12.738) 16.314 39.014 ( 1.537 -8.707 12.761) 15.524 39.550 ( 6.409 8.551 -8.564) 13.695 39.683 ( 5.603 -5.029 -7.311) 10.494 40.307 ( -2.483 7.099 -1.839) 7.742 40.381 ( -2.447 -0.812 -5.521) 6.093 41.415 ( 0.051 1.029 0.179) 1.045 41.480 ( 0.816 -5.645 -1.420) 5.877 42.214 ( -0.683 7.581 -1.142) 7.697 42.338 ( 0.442 -5.589 -3.247) 6.479 42.669 ( 3.145 2.951 -6.546) 7.839 42.695 ( -0.452 0.105 -4.773) 4.796 43.086 ( -5.002 3.183 8.518) 10.378 43.215 ( 2.132 -9.731 5.847) 11.551 ======================= Grid point 93 (51/84) ======================= q-point: (-0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -7.906 17.883 -0.567) 19.561 2.114 ( -4.588 15.546 -2.409) 16.387 2.257 ( -7.326 -7.869 2.810) 11.113 2.358 ( 3.341 -10.256 -4.972) 11.877 2.541 ( 2.234 6.502 -3.449) 7.691 2.663 ( -1.935 -3.206 -4.793) 6.083 2.785 ( -2.324 11.158 -2.871) 11.753 2.965 ( 6.882 5.522 2.504) 9.172 3.011 ( 1.473 -6.373 1.566) 6.726 3.105 ( 6.224 -8.810 -0.873) 10.822 3.235 ( 9.717 0.163 -1.384) 9.817 3.282 ( 9.652 -2.342 4.556) 10.927 3.568 ( 10.032 2.409 3.175) 10.795 3.582 ( 11.529 0.435 7.375) 13.693 3.704 ( 3.308 1.533 -2.753) 4.568 3.775 ( 0.825 -5.490 -2.540) 6.106 4.072 ( -3.567 4.717 -3.108) 6.681 4.147 ( 0.623 -3.990 -1.712) 4.386 4.406 ( -1.010 4.790 -5.049) 7.033 4.439 ( 3.780 4.497 5.244) 7.875 4.516 ( -4.787 -3.630 -2.494) 6.504 4.567 ( 1.852 -7.275 0.023) 7.507 4.729 ( -3.012 9.308 2.227) 10.034 4.946 ( 4.097 -4.156 4.439) 7.332 4.952 ( -2.543 0.045 3.008) 3.939 5.092 ( 0.656 -10.054 4.988) 11.242 5.407 ( 1.513 6.130 -6.227) 8.868 5.516 ( 3.370 -0.104 1.407) 3.653 5.594 ( -1.221 2.920 -8.726) 9.282 5.612 ( -0.964 6.311 6.165) 8.875 5.727 ( 2.599 -6.577 4.791) 8.542 5.835 ( -0.115 -12.327 4.440) 13.103 5.909 ( -2.558 7.698 -1.647) 8.277 6.036 ( 2.059 -5.539 -3.346) 6.791 6.138 ( 6.120 6.640 -1.002) 9.086 6.241 ( 0.184 -3.761 0.416) 3.789 6.456 ( 3.142 8.862 3.382) 9.993 6.556 ( 1.924 0.456 4.206) 4.648 6.630 ( 5.359 1.616 -0.675) 5.638 6.667 ( 3.912 -1.274 0.978) 4.228 6.751 ( -0.937 0.247 -1.310) 1.629 6.812 ( 2.264 -5.278 -0.757) 5.793 6.975 ( -0.563 3.527 -4.714) 5.914 7.053 ( -0.170 -2.049 -1.105) 2.334 7.260 ( 1.852 0.497 2.870) 3.451 7.369 ( 5.682 -8.965 7.679) 13.100 7.803 ( -10.468 5.264 -15.503) 19.433 7.829 ( -8.305 3.135 -2.298) 9.169 7.939 ( -3.412 -5.268 0.671) 6.312 7.980 ( -5.045 -9.457 -10.671) 15.125 8.265 ( -1.824 8.431 1.944) 8.843 8.392 ( -2.479 -3.112 0.519) 4.013 8.684 ( 3.049 2.031 4.902) 6.120 8.754 ( 1.987 -6.208 2.600) 7.018 9.031 ( -2.233 6.265 -0.520) 6.671 9.125 ( 1.834 -1.914 1.096) 2.868 9.426 ( -6.965 4.498 1.212) 8.379 9.499 ( -5.991 -1.370 -3.773) 7.211 9.645 ( -5.901 2.735 1.185) 6.611 9.757 ( -3.689 -3.172 2.578) 5.506 9.807 ( -2.322 2.542 6.852) 7.668 9.938 ( -2.722 -7.888 1.425) 8.466 10.011 ( -2.474 8.714 -9.920) 13.434 10.196 ( 4.144 -6.220 -3.607) 8.299 10.319 ( 4.850 3.955 5.542) 8.360 10.494 ( 3.932 -8.326 7.424) 11.828 10.590 ( -4.843 7.135 2.512) 8.982 10.691 ( -6.595 -0.862 -2.615) 7.147 10.897 ( -3.830 3.093 0.969) 5.018 10.949 ( -0.227 -2.428 -0.713) 2.540 11.254 ( -0.949 5.934 1.751) 6.260 11.359 ( 2.205 -3.889 0.048) 4.471 11.445 ( 2.358 -0.072 1.860) 3.004 11.523 ( 0.979 -5.887 -1.496) 6.152 11.963 ( 7.255 8.547 -5.555) 12.512 12.114 ( 3.978 -6.825 -1.589) 8.058 12.181 ( 1.181 1.949 3.397) 4.091 12.237 ( 0.892 -3.878 1.302) 4.187 12.684 ( 3.959 4.187 -4.105) 7.075 12.780 ( 0.277 -0.298 -3.459) 3.483 12.817 ( -0.147 -3.865 -1.535) 4.161 12.854 ( 4.332 -0.424 0.472) 4.378 13.060 ( 0.023 -1.059 0.368) 1.121 13.130 ( 1.332 -4.996 1.137) 5.294 13.475 ( -3.630 6.914 0.100) 7.810 13.570 ( -3.162 -2.171 -0.274) 3.845 13.764 ( -3.954 4.854 -0.289) 6.267 13.827 ( -2.145 -1.226 3.223) 4.061 14.195 ( 0.272 5.424 2.613) 6.026 14.254 ( -1.369 0.738 -3.284) 3.634 14.600 ( 3.582 1.419 1.349) 4.082 14.632 ( 6.392 -2.260 3.954) 7.849 15.087 ( -1.840 2.122 -0.428) 2.841 15.135 ( -1.930 -2.462 -0.353) 3.148 15.230 ( 2.830 7.474 -0.310) 7.997 15.335 ( 4.517 -2.942 2.106) 5.787 15.691 ( -4.391 4.559 -2.173) 6.692 15.751 ( -2.985 -3.265 -4.567) 6.359 15.996 ( -0.639 1.161 1.051) 1.691 16.098 ( 1.961 -2.692 3.294) 4.684 16.176 ( -1.030 0.407 0.472) 1.204 16.275 ( 1.207 -5.348 3.365) 6.433 16.592 ( -2.220 0.937 -3.166) 3.979 16.649 ( -1.181 -5.336 -3.619) 6.554 17.304 ( -1.313 10.942 1.430) 11.113 17.462 ( 0.662 -3.057 3.509) 4.700 17.523 ( -4.671 2.167 -6.135) 8.010 17.561 ( -4.549 -1.737 -4.215) 6.440 17.731 ( 4.531 3.207 3.927) 6.800 17.851 ( 12.128 -7.104 14.447) 20.156 18.080 ( 4.087 2.267 3.537) 5.861 18.110 ( 4.569 1.830 6.214) 7.927 18.150 ( 1.924 3.080 -0.952) 3.754 18.309 ( 6.375 -10.734 2.143) 12.667 18.886 ( -2.832 5.942 -0.249) 6.587 18.986 ( 0.909 -3.947 1.872) 4.462 19.143 ( -7.509 2.728 -9.522) 12.430 19.194 ( -6.775 -1.064 -6.280) 9.299 19.223 ( 0.830 -0.868 0.669) 1.375 19.252 ( 1.315 -4.452 -3.211) 5.644 19.633 ( -7.157 4.207 -11.132) 13.886 19.702 ( -6.013 -3.038 -11.075) 12.963 19.783 ( -2.530 2.233 1.276) 3.608 19.829 ( -2.944 -2.198 -0.103) 3.676 20.148 ( -0.127 5.317 3.620) 6.434 20.224 ( -1.045 -1.850 -1.056) 2.372 20.422 ( 6.957 4.808 7.572) 11.351 20.538 ( 7.383 -6.740 5.547) 11.432 21.117 ( -11.100 13.018 -13.504) 21.796 21.346 ( -12.125 -10.320 -14.886) 21.797 21.773 ( 9.011 11.288 6.520) 15.847 21.973 ( 3.539 -9.552 2.600) 10.513 22.102 ( -2.773 -0.395 -2.364) 3.665 22.116 ( 0.353 -2.326 1.322) 2.699 22.287 ( 4.068 3.462 5.169) 7.433 22.357 ( 6.944 -3.640 6.929) 10.463 22.593 ( -2.056 2.484 -1.182) 3.434 22.619 ( -1.189 -0.086 -0.169) 1.204 22.868 ( 9.800 1.582 10.759) 14.639 22.941 ( 12.294 -6.422 13.420) 19.300 24.500 ( -17.827 13.489 -13.534) 26.133 24.758 ( -13.458 -13.595 -12.635) 22.926 24.949 ( 2.003 1.494 0.141) 2.503 24.971 ( 2.352 -0.826 0.545) 2.551 25.391 ( 3.839 11.719 3.854) 12.920 25.545 ( 5.010 -2.626 5.364) 7.795 25.853 ( -5.985 1.799 -1.441) 6.413 25.974 ( -0.568 -12.293 1.166) 12.361 26.520 ( -0.995 6.608 -4.994) 8.343 26.673 ( 1.219 -8.792 -4.176) 9.810 27.125 ( 3.958 5.520 7.096) 9.823 27.235 ( 4.831 -6.219 3.654) 8.682 27.379 ( -4.216 1.552 1.806) 4.842 27.439 ( -6.372 -4.253 0.545) 7.680 27.785 ( 3.645 5.233 2.381) 6.807 27.871 ( 3.802 -3.528 1.989) 5.555 28.211 ( -0.691 3.393 -0.160) 3.467 28.270 ( -1.212 -2.866 -0.297) 3.126 28.347 ( 0.679 2.516 -2.062) 3.323 28.392 ( -0.005 -2.040 -1.212) 2.373 28.670 ( -7.127 3.983 -6.669) 10.542 28.738 ( -5.085 -1.822 -5.175) 7.480 28.919 ( -0.763 3.446 0.339) 3.545 28.984 ( -1.316 -3.317 -0.068) 3.569 29.142 ( -0.657 5.384 -4.163) 6.838 29.237 ( 1.662 -4.126 -2.193) 4.960 29.618 ( -1.312 5.262 1.955) 5.765 29.742 ( -4.581 -7.362 0.500) 8.685 29.984 ( 5.408 2.032 4.700) 7.448 29.999 ( 4.720 0.066 2.348) 5.272 30.319 ( 14.646 3.318 13.027) 19.880 30.404 ( 13.080 -5.155 13.786) 19.690 31.338 ( -7.183 3.819 -8.691) 11.905 31.416 ( -8.759 -4.213 -9.172) 13.364 31.470 ( -8.132 0.897 -4.421) 9.299 31.532 ( -11.473 -5.259 -4.851) 13.521 32.070 ( 1.813 3.575 0.038) 4.009 32.114 ( 3.935 -1.085 0.987) 4.200 32.259 ( 3.090 3.441 0.489) 4.650 32.319 ( 2.937 -2.787 -0.231) 4.056 32.694 ( -2.975 3.368 -0.630) 4.537 32.774 ( -4.151 -5.049 0.858) 6.593 33.052 ( -0.361 1.816 -0.257) 1.869 33.123 ( -0.611 -5.267 -1.570) 5.530 33.731 ( -0.115 3.874 12.372) 12.965 33.747 ( -2.404 2.949 1.527) 4.100 33.946 ( 2.304 2.239 -3.662) 4.872 34.018 ( 2.420 -4.359 -4.894) 6.986 38.512 ( 0.139 -1.127 1.199) 1.651 38.538 ( 0.128 -3.788 -0.575) 3.834 38.927 ( -2.475 11.172 3.980) 12.116 39.129 ( -1.808 -9.916 4.074) 10.872 39.633 ( 15.475 8.061 -3.601) 17.817 39.744 ( 11.520 -3.837 -2.709) 12.441 40.274 ( -1.984 4.420 1.706) 5.137 40.314 ( -1.666 0.199 1.155) 2.037 41.406 ( -0.932 0.250 -0.354) 1.028 41.448 ( -1.076 -4.242 -3.360) 5.518 42.179 ( -2.802 6.627 -0.429) 7.208 42.274 ( -1.895 -3.131 -4.799) 6.035 42.614 ( -1.163 0.958 -4.592) 4.833 42.626 ( -0.444 -0.145 -3.701) 3.731 43.128 ( -2.651 7.168 6.641) 10.125 43.317 ( 3.115 -12.105 3.525) 12.987 ======================= Grid point 94 (52/84) ======================= q-point: (-0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -7.291 19.231 9.286) 22.566 2.084 ( 3.609 22.082 -3.512) 22.649 2.213 ( -5.609 -5.817 9.183) 12.232 2.419 ( 11.999 -8.515 -3.130) 15.043 2.547 ( -2.151 4.940 2.360) 5.882 2.639 ( -0.321 1.807 2.139) 2.819 2.762 ( 0.973 2.684 -0.186) 2.861 2.944 ( -1.603 -6.818 -4.349) 8.244 3.116 ( 4.540 -0.028 1.342) 4.734 3.149 ( 3.560 -4.166 -4.067) 6.824 3.351 ( 8.372 3.571 0.909) 9.147 3.438 ( 6.778 -4.252 1.622) 8.164 3.616 ( -0.832 7.365 -0.454) 7.426 3.732 ( 1.095 -3.510 -3.134) 4.832 3.797 ( 6.767 4.023 0.317) 7.879 3.836 ( 7.822 -0.357 3.181) 8.452 3.946 ( -6.581 5.840 -2.916) 9.269 4.097 ( -0.649 -8.049 -2.816) 8.552 4.342 ( 0.034 1.411 -2.629) 2.984 4.398 ( -1.464 -2.317 -4.680) 5.423 4.506 ( -4.439 3.206 4.481) 7.075 4.587 ( -1.671 -5.088 3.982) 6.673 4.787 ( 5.550 9.301 3.743) 11.460 4.964 ( -3.649 -4.395 3.389) 6.642 5.112 ( 2.618 -2.577 6.094) 7.115 5.152 ( -1.340 -3.460 3.369) 5.011 5.347 ( 1.108 6.780 -4.839) 8.403 5.469 ( 2.098 -2.644 -6.828) 7.616 5.562 ( 1.284 5.600 1.678) 5.985 5.663 ( -3.269 5.167 3.203) 6.903 5.722 ( -4.624 -0.553 -0.132) 4.659 5.843 ( -0.500 -9.477 1.859) 9.671 6.018 ( 6.963 -0.439 2.545) 7.427 6.068 ( 7.787 -5.695 -0.556) 9.663 6.192 ( 1.835 3.442 -3.994) 5.583 6.212 ( -1.462 0.290 -1.525) 2.133 6.445 ( -10.381 8.789 -1.411) 13.675 6.625 ( -2.521 -3.179 -8.187) 9.137 6.687 ( 3.485 9.091 -0.267) 9.740 6.710 ( 5.977 4.638 -1.837) 7.785 6.812 ( 11.691 -3.756 2.892) 12.615 6.853 ( 3.179 -5.263 -1.427) 6.312 6.951 ( 1.585 -4.208 -1.107) 4.631 7.041 ( 2.639 -8.539 1.583) 9.076 7.330 ( -0.691 7.992 4.700) 9.297 7.499 ( -0.780 -2.384 -0.079) 2.510 7.539 ( -2.132 2.662 -5.118) 6.150 7.707 ( -1.722 0.423 -0.773) 1.935 7.771 ( -7.378 -8.823 -4.841) 12.479 7.898 ( 2.153 -12.440 -0.513) 12.635 8.258 ( -3.546 5.499 1.686) 6.757 8.333 ( -3.453 -2.208 2.180) 4.642 8.736 ( -0.960 -2.763 0.348) 2.946 8.745 ( -3.816 -5.752 -0.432) 6.916 9.054 ( 5.773 8.575 -0.332) 10.343 9.198 ( 3.092 -5.616 -0.434) 6.425 9.297 ( -6.198 5.924 -1.303) 8.672 9.370 ( -4.865 -1.050 -2.513) 5.575 9.566 ( -4.550 4.826 -0.378) 6.644 9.717 ( -5.215 7.005 0.412) 8.742 9.732 ( -3.442 -7.994 -2.977) 9.198 9.871 ( -2.391 -6.530 -2.073) 7.256 10.028 ( 2.814 11.098 1.719) 11.578 10.279 ( 6.381 -11.206 -1.414) 12.972 10.438 ( 0.555 7.115 1.786) 7.357 10.507 ( -4.598 4.479 1.210) 6.532 10.565 ( -4.399 -3.722 -2.999) 6.496 10.635 ( 1.835 -6.722 6.186) 9.318 10.868 ( -2.004 2.684 0.946) 3.480 10.907 ( -4.211 -1.006 0.027) 4.329 11.253 ( -0.990 7.402 1.671) 7.653 11.390 ( 0.216 -6.936 1.449) 7.089 11.491 ( 1.984 1.486 1.230) 2.767 11.557 ( 1.988 -4.887 0.188) 5.280 11.993 ( 3.659 4.176 -1.919) 5.875 12.073 ( -0.802 -4.628 -1.597) 4.961 12.296 ( 3.614 2.767 1.857) 4.916 12.347 ( 5.364 -1.629 6.615) 8.671 12.668 ( 1.061 4.172 -1.672) 4.618 12.758 ( 1.064 -0.604 -2.017) 2.359 12.820 ( 1.935 0.665 0.433) 2.092 12.903 ( 4.202 0.053 -3.765) 5.643 13.045 ( -1.254 -2.380 0.042) 2.691 13.159 ( -0.104 -7.934 1.701) 8.115 13.408 ( -3.078 5.053 -1.386) 6.077 13.474 ( -4.997 -1.694 -2.054) 5.662 13.752 ( 0.422 7.813 -0.706) 7.856 13.848 ( -1.743 -2.033 1.978) 3.329 14.215 ( -0.504 0.990 -0.184) 1.126 14.217 ( -0.232 1.028 1.359) 1.720 14.662 ( 2.135 6.551 0.647) 6.921 14.753 ( 3.716 -3.152 1.327) 5.051 15.021 ( -2.817 2.137 -1.923) 4.025 15.093 ( -1.689 -4.829 -0.637) 5.156 15.275 ( 2.419 9.743 -0.301) 10.044 15.431 ( 3.384 -4.767 1.931) 6.157 15.602 ( -3.922 3.655 -4.050) 6.719 15.679 ( 2.214 -2.216 -2.277) 3.872 15.985 ( 1.172 6.989 -0.856) 7.138 16.113 ( -3.237 6.332 -0.023) 7.111 16.207 ( 1.935 -8.933 0.497) 9.153 16.301 ( -1.694 -9.470 -0.405) 9.629 16.577 ( 1.061 -1.653 3.536) 4.045 16.585 ( -2.116 -2.814 -0.343) 3.537 17.274 ( -2.102 9.798 1.069) 10.078 17.427 ( -1.644 3.290 -2.535) 4.467 17.462 ( -1.636 -6.499 0.295) 6.708 17.500 ( -1.077 -3.596 2.425) 4.469 17.988 ( 7.990 7.737 5.013) 12.200 18.056 ( -0.561 -0.174 1.128) 1.272 18.156 ( 3.316 3.099 -0.395) 4.556 18.277 ( 3.633 7.780 3.266) 9.186 18.297 ( 10.327 -8.259 5.584) 14.354 18.422 ( 2.332 -7.084 2.487) 7.862 18.726 ( -9.361 0.999 -8.959) 12.995 18.735 ( -11.743 -1.681 -11.036) 16.202 18.959 ( -1.948 0.204 -0.810) 2.120 19.040 ( -1.342 -6.541 1.256) 6.794 19.275 ( 1.200 -0.208 1.741) 2.124 19.287 ( 1.203 -1.777 3.112) 3.780 19.457 ( 0.881 7.299 -3.385) 8.093 19.571 ( 2.025 -4.214 -3.126) 5.624 19.799 ( 0.774 2.306 1.686) 2.959 19.842 ( -0.935 -2.103 2.342) 3.284 20.133 ( -1.598 4.750 -3.047) 5.866 20.182 ( -0.679 -0.031 -2.466) 2.558 20.605 ( 2.966 2.300 2.768) 4.663 20.689 ( 2.740 -6.214 1.580) 6.973 20.900 ( -2.036 13.941 -1.713) 14.193 21.130 ( -0.984 -9.812 -2.197) 10.103 21.852 ( 0.756 5.766 -0.119) 5.816 21.952 ( -0.981 -5.241 -0.527) 5.358 22.075 ( -0.546 2.628 0.491) 2.729 22.158 ( 0.297 -5.769 0.755) 5.826 22.343 ( -1.345 5.753 1.679) 6.142 22.454 ( -0.572 -5.601 2.225) 6.053 22.551 ( -1.284 3.228 -0.714) 3.546 22.598 ( -0.718 -1.710 -0.403) 1.898 23.252 ( 9.663 4.448 10.467) 14.923 23.365 ( 7.497 -7.828 10.400) 15.021 24.085 ( -10.809 16.549 -7.888) 21.282 24.406 ( -6.723 -16.750 -6.733) 19.264 24.974 ( 1.706 1.935 -0.237) 2.591 25.011 ( 2.019 -2.024 0.237) 2.868 25.442 ( -0.338 13.760 0.048) 13.765 25.628 ( -1.490 -4.917 2.001) 5.514 25.750 ( -2.800 6.835 -1.817) 7.607 25.956 ( -0.100 -15.454 -2.690) 15.687 26.479 ( 1.885 6.261 -1.578) 6.727 26.620 ( 0.883 -7.573 -2.349) 7.978 27.284 ( -0.349 3.003 4.338) 5.288 27.335 ( -0.457 -1.551 1.760) 2.390 27.357 ( -0.953 -1.138 1.289) 1.966 27.378 ( -1.068 -3.912 2.235) 4.630 27.877 ( 3.503 5.868 -0.761) 6.876 27.988 ( 4.678 -5.118 2.078) 7.239 28.146 ( -3.979 1.334 -2.912) 5.109 28.171 ( -3.576 -1.406 -1.940) 4.305 28.284 ( -1.639 -0.306 -2.217) 2.774 28.313 ( -0.413 -2.755 -1.627) 3.226 28.548 ( 0.276 8.752 -4.268) 9.741 28.682 ( 2.344 -4.062 -3.856) 6.071 28.921 ( -1.747 1.916 2.685) 3.732 28.968 ( -1.746 -3.139 0.999) 3.728 29.101 ( 0.221 7.389 -2.025) 7.664 29.209 ( -1.061 -3.592 -1.487) 4.030 29.639 ( 1.166 3.686 0.926) 3.975 29.723 ( 0.097 -4.737 0.653) 4.783 30.053 ( 2.455 3.041 -1.174) 4.081 30.076 ( 2.713 0.945 1.500) 3.241 30.721 ( 10.212 4.312 1.052) 11.135 30.799 ( 6.271 -3.815 -0.260) 7.345 30.949 ( -5.765 1.195 -12.300) 13.636 31.002 ( -7.141 -4.164 -8.015) 11.514 31.420 ( -4.284 -0.038 7.662) 8.779 31.474 ( -6.139 -5.673 8.083) 11.628 32.130 ( 1.137 5.312 2.573) 6.011 32.216 ( 3.243 -3.574 3.351) 5.876 32.261 ( 0.166 3.515 -0.295) 3.531 32.311 ( -1.313 -1.761 -0.981) 2.405 32.694 ( -0.071 2.159 2.839) 3.567 32.748 ( -3.287 -3.526 3.868) 6.180 33.037 ( -0.755 1.402 -0.603) 1.703 33.097 ( -0.138 -4.236 -1.478) 4.489 33.629 ( -0.198 5.420 -12.394) 13.529 33.709 ( -1.505 -2.957 -10.156) 10.685 34.034 ( 1.622 7.725 12.587) 14.857 34.164 ( 0.006 -6.223 14.311) 15.605 38.519 ( -0.004 -1.260 -0.491) 1.352 38.540 ( 0.149 -3.540 0.657) 3.604 38.874 ( -1.202 10.994 -6.679) 12.920 39.079 ( -1.212 -10.518 -6.802) 12.584 39.824 ( 11.646 5.459 -1.704) 12.974 39.894 ( 8.667 -1.882 -0.553) 8.886 40.287 ( -1.485 5.553 4.924) 7.569 40.365 ( -2.002 -2.612 8.199) 8.835 41.392 ( -0.881 -0.594 -0.650) 1.245 41.405 ( 0.497 -1.832 1.696) 2.546 42.129 ( -2.213 5.896 -0.708) 6.337 42.203 ( -1.048 -1.348 -1.287) 2.138 42.557 ( 0.059 1.525 -2.577) 2.995 42.590 ( -0.072 -1.793 -1.304) 2.219 43.159 ( -2.831 8.894 4.470) 10.349 43.378 ( 1.203 -13.524 0.782) 13.599 ======================= Grid point 119 (53/84) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 22.728 0.000 30.888) 38.349 1.681 ( 2.349 0.000 23.244) 23.363 1.926 ( 3.281 0.000 1.933) 3.808 2.195 ( -15.077 0.000 -20.234) 25.234 2.553 ( -4.554 0.000 6.975) 8.330 2.597 ( -0.378 0.000 15.550) 15.554 2.979 ( -8.570 0.000 24.753) 26.194 3.052 ( 7.259 0.000 1.542) 7.421 3.111 ( -10.828 0.000 -0.124) 10.828 3.219 ( 10.672 0.000 0.987) 10.718 3.368 ( 1.200 0.000 3.842) 4.024 3.489 ( -3.976 0.000 1.926) 4.418 3.513 ( 1.383 0.000 -1.471) 2.019 3.542 ( -4.824 0.000 -5.393) 7.236 3.692 ( -0.494 0.000 -10.396) 10.407 3.799 ( 7.942 0.000 -13.681) 15.819 4.026 ( 1.705 0.000 3.439) 3.839 4.270 ( -0.478 0.000 -15.350) 15.358 4.294 ( 1.530 0.000 5.541) 5.749 4.331 ( 1.889 0.000 4.130) 4.542 4.495 ( 9.926 0.000 8.587) 13.125 4.520 ( 1.750 0.000 -6.318) 6.555 4.522 ( -6.133 0.000 -1.924) 6.428 4.869 ( -11.351 0.000 -14.522) 18.432 4.996 ( -5.314 0.000 -0.459) 5.334 5.000 ( 3.127 0.000 -6.816) 7.500 5.216 ( -1.877 0.000 -1.950) 2.707 5.222 ( -1.192 0.000 -2.114) 2.427 5.516 ( -0.873 0.000 2.511) 2.658 5.576 ( 1.817 0.000 -5.521) 5.812 5.754 ( 0.621 0.000 10.552) 10.570 5.884 ( 10.725 0.000 4.742) 11.727 6.013 ( 11.967 0.000 2.439) 12.212 6.070 ( 6.504 0.000 9.376) 11.411 6.126 ( -2.325 0.000 -5.839) 6.285 6.276 ( -3.426 0.000 -3.574) 4.951 6.446 ( -7.669 0.000 -5.182) 9.255 6.489 ( -3.813 0.000 -3.887) 5.445 6.640 ( 16.294 0.000 2.429) 16.474 6.762 ( -13.906 0.000 1.407) 13.978 6.979 ( -17.189 0.000 -8.963) 19.385 7.002 ( 3.077 0.000 -4.054) 5.089 7.154 ( -2.243 0.000 3.153) 3.869 7.192 ( 8.903 0.000 11.539) 14.575 7.260 ( 0.534 0.000 -9.485) 9.500 7.500 ( -6.057 0.000 -14.265) 15.497 7.850 ( -2.593 0.000 4.886) 5.531 7.911 ( 4.743 0.000 0.073) 4.744 7.977 ( -2.221 0.000 6.361) 6.738 8.027 ( 13.580 0.000 1.486) 13.661 8.484 ( -13.773 0.000 0.196) 13.774 8.552 ( -2.449 0.000 -3.904) 4.609 8.701 ( 2.468 0.000 -1.129) 2.714 8.712 ( -2.202 0.000 -0.584) 2.278 9.044 ( 13.427 0.000 -0.397) 13.433 9.054 ( -10.092 0.000 -0.712) 10.117 9.196 ( 2.701 0.000 -0.654) 2.779 9.230 ( -2.769 0.000 -3.193) 4.226 9.518 ( -1.110 0.000 1.814) 2.127 9.594 ( 1.762 0.000 -5.423) 5.702 9.823 ( 2.079 0.000 5.960) 6.312 9.853 ( 0.210 0.000 3.983) 3.988 10.160 ( -6.208 0.000 1.940) 6.504 10.178 ( 3.370 0.000 -1.453) 3.670 10.257 ( 4.043 0.000 4.301) 5.903 10.393 ( -1.578 0.000 -7.469) 7.634 10.754 ( -5.198 0.000 4.705) 7.011 10.786 ( 3.027 0.000 1.483) 3.371 10.997 ( -1.376 0.000 7.529) 7.653 11.096 ( 0.177 0.000 0.397) 0.435 11.367 ( 4.401 0.000 3.420) 5.574 11.444 ( -0.452 0.000 -2.541) 2.581 11.594 ( 6.106 0.000 -0.165) 6.109 11.667 ( -9.551 0.000 -6.376) 11.483 11.927 ( -0.863 0.000 1.704) 1.910 11.980 ( -0.208 0.000 -3.039) 3.046 12.366 ( 9.242 0.000 2.060) 9.469 12.409 ( -7.942 0.000 -1.474) 8.077 12.454 ( 6.294 0.000 -0.923) 6.362 12.493 ( -4.415 0.000 -4.068) 6.003 12.831 ( 4.596 0.000 2.776) 5.370 12.903 ( -6.441 0.000 -3.569) 7.364 13.268 ( 0.885 0.000 3.087) 3.212 13.290 ( -0.080 0.000 1.007) 1.010 13.467 ( -3.461 0.000 4.955) 6.044 13.546 ( 3.260 0.000 -2.109) 3.883 13.572 ( 6.011 0.000 4.842) 7.719 13.663 ( -4.962 0.000 -3.235) 5.923 14.190 ( 2.755 0.000 8.269) 8.716 14.321 ( -0.056 0.000 -1.925) 1.926 14.507 ( -1.890 0.000 0.098) 1.892 14.575 ( -2.751 0.000 -7.598) 8.081 14.979 ( 0.957 0.000 4.583) 4.682 15.061 ( 0.582 0.000 -2.859) 2.917 15.272 ( 2.948 0.000 -0.798) 3.054 15.280 ( -3.421 0.000 -1.919) 3.922 15.518 ( 5.249 0.000 2.475) 5.803 15.562 ( -0.823 0.000 -3.239) 3.342 15.831 ( -8.133 0.000 2.633) 8.549 15.932 ( 9.778 0.000 -7.379) 12.250 16.348 ( 2.299 0.000 6.556) 6.947 16.546 ( -9.039 0.000 -10.884) 14.148 16.654 ( 0.501 0.000 3.230) 3.268 16.732 ( -4.598 0.000 -4.444) 6.394 17.189 ( 9.192 0.000 7.636) 11.950 17.266 ( -3.843 0.000 -0.109) 3.845 17.542 ( 7.836 0.000 5.731) 9.708 17.551 ( -1.800 0.000 0.765) 1.956 17.626 ( -0.348 0.000 2.099) 2.127 17.853 ( -7.448 0.000 -12.277) 14.360 18.033 ( -1.678 0.000 -0.455) 1.739 18.067 ( -2.199 0.000 -0.660) 2.296 18.349 ( 1.862 0.000 6.848) 7.096 18.474 ( -0.952 0.000 -3.740) 3.860 18.853 ( 9.199 0.000 2.246) 9.470 18.915 ( -9.059 0.000 -5.016) 10.355 19.077 ( 0.220 0.000 -1.393) 1.410 19.107 ( -4.113 0.000 -5.017) 6.488 19.258 ( 12.401 0.000 15.214) 19.628 19.496 ( -4.776 0.000 -7.116) 8.570 19.701 ( 1.034 0.000 7.523) 7.594 19.842 ( 4.319 0.000 2.399) 4.941 19.849 ( -5.678 0.000 -2.137) 6.067 19.890 ( -0.653 0.000 -5.240) 5.280 20.035 ( 10.295 0.000 5.503) 11.673 20.132 ( -14.187 0.000 -3.792) 14.685 20.384 ( 24.747 0.000 25.865) 35.797 20.713 ( 0.529 0.000 -3.211) 3.254 20.879 ( -1.043 0.000 -3.336) 3.495 21.026 ( -17.365 0.000 -17.754) 24.834 21.812 ( 13.096 0.000 14.749) 19.724 22.044 ( -4.867 0.000 -5.546) 7.379 22.217 ( 4.209 0.000 4.543) 6.193 22.298 ( -4.320 0.000 -3.652) 5.657 22.362 ( 2.567 0.000 6.257) 6.763 22.408 ( 3.206 0.000 2.176) 3.875 22.475 ( -4.825 0.000 -4.563) 6.641 22.574 ( -9.282 0.000 -11.987) 15.161 22.860 ( 3.382 0.000 8.042) 8.724 23.129 ( -15.050 0.000 -17.839) 23.339 24.132 ( 16.120 0.000 19.158) 25.038 24.505 ( -11.531 0.000 -14.974) 18.899 24.993 ( 2.241 0.000 2.461) 3.328 25.052 ( -3.239 0.000 -2.869) 4.327 25.458 ( 2.027 0.000 6.595) 6.900 25.496 ( 4.062 0.000 1.108) 4.211 26.009 ( 14.264 0.000 20.094) 24.642 26.449 ( -7.616 0.000 -15.132) 16.940 26.591 ( 2.447 0.000 -5.529) 6.047 26.615 ( -13.153 0.000 -4.702) 13.968 26.988 ( 0.050 0.000 9.750) 9.750 27.121 ( 5.408 0.000 -1.019) 5.503 27.428 ( 1.916 0.000 0.332) 1.945 27.477 ( -0.968 0.000 -5.689) 5.771 27.762 ( -6.686 0.000 -1.857) 6.939 27.772 ( 1.401 0.000 -2.616) 2.968 28.151 ( -1.030 0.000 2.842) 3.023 28.185 ( 1.680 0.000 0.080) 1.682 28.331 ( 1.489 0.000 -0.895) 1.738 28.337 ( -3.842 0.000 -1.579) 4.154 28.748 ( 10.591 0.000 11.051) 15.307 28.786 ( 3.058 0.000 1.587) 3.445 28.853 ( -5.797 0.000 -4.385) 7.269 28.953 ( -3.532 0.000 -7.429) 8.225 29.179 ( 10.801 0.000 10.415) 15.004 29.427 ( -11.493 0.000 -10.617) 15.646 29.649 ( 20.606 0.000 1.860) 20.690 29.721 ( -12.263 0.000 -5.395) 13.397 29.947 ( 0.294 0.000 3.559) 3.571 30.055 ( 32.351 0.000 5.675) 32.845 30.058 ( -6.572 0.000 -7.526) 9.992 30.186 ( -22.107 0.000 -6.380) 23.009 31.105 ( 14.316 0.000 10.974) 18.038 31.345 ( -15.760 0.000 -11.140) 19.300 31.581 ( 14.818 0.000 11.104) 18.517 31.789 ( -9.238 0.000 -7.429) 11.855 31.923 ( 7.645 0.000 4.554) 8.899 32.014 ( -7.241 0.000 -4.308) 8.426 32.363 ( 6.023 0.000 10.323) 11.952 32.508 ( -4.492 0.000 -2.219) 5.010 32.827 ( 4.819 0.000 9.375) 10.541 33.042 ( -7.110 0.000 -9.131) 11.573 33.136 ( -2.032 0.000 0.020) 2.032 33.158 ( 2.596 0.000 -2.249) 3.435 33.509 ( -4.247 0.000 3.611) 5.575 33.573 ( 3.445 0.000 -2.125) 4.047 34.049 ( 19.813 0.000 10.042) 22.213 34.266 ( -32.754 0.000 -9.617) 34.137 38.615 ( 2.117 0.000 -1.397) 2.536 38.618 ( -0.578 0.000 -2.115) 2.193 38.814 ( -7.116 0.000 6.980) 9.968 38.968 ( 8.564 0.000 -6.224) 10.587 39.455 ( -0.037 0.000 4.573) 4.573 39.573 ( -1.654 0.000 -5.693) 5.928 40.019 ( -11.687 0.000 4.451) 12.506 40.084 ( 8.479 0.000 -1.525) 8.615 41.688 ( 1.009 0.000 5.101) 5.200 41.782 ( -1.227 0.000 -3.019) 3.259 41.895 ( -8.179 0.000 7.258) 10.936 42.045 ( 15.549 0.000 -6.266) 16.764 42.552 ( 2.543 0.000 1.395) 2.900 42.604 ( -2.298 0.000 -3.004) 3.782 43.950 ( -1.548 0.000 -0.083) 1.550 43.956 ( 1.174 0.000 -0.685) 1.360 ======================= Grid point 120 (54/84) ======================= q-point: ( 0.12 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -26.948 0.000 -35.795) 44.805 1.825 ( 1.536 0.000 -8.555) 8.692 1.930 ( 5.416 0.000 5.848) 7.971 2.203 ( 8.203 0.000 17.334) 19.177 2.642 ( 2.545 0.000 5.773) 6.309 2.723 ( 9.336 0.000 -2.001) 9.548 2.925 ( -9.284 0.000 -0.425) 9.293 3.035 ( -11.202 0.000 4.345) 12.016 3.172 ( -0.971 0.000 4.244) 4.353 3.290 ( 5.761 0.000 -4.230) 7.147 3.423 ( 3.213 0.000 -10.271) 10.762 3.467 ( -0.972 0.000 4.004) 4.120 3.538 ( -1.271 0.000 3.293) 3.530 3.540 ( -1.122 0.000 -1.364) 1.766 3.585 ( -2.848 0.000 8.805) 9.254 3.723 ( 7.245 0.000 -9.623) 12.046 4.096 ( 0.954 0.000 -12.521) 12.557 4.151 ( 0.725 0.000 9.685) 9.712 4.307 ( -2.624 0.000 -3.450) 4.334 4.342 ( -4.144 0.000 -5.977) 7.273 4.428 ( 0.248 0.000 9.246) 9.249 4.465 ( -5.353 0.000 -13.318) 14.354 4.593 ( 3.158 0.000 0.365) 3.179 4.895 ( 9.480 0.000 14.913) 17.672 4.933 ( 2.117 0.000 6.517) 6.852 5.061 ( 4.945 0.000 1.775) 5.254 5.223 ( 1.193 0.000 2.053) 2.374 5.239 ( 3.786 0.000 1.807) 4.195 5.557 ( 4.335 0.000 3.124) 5.344 5.579 ( 3.809 0.000 -3.599) 5.240 5.775 ( -13.904 0.000 -12.990) 19.028 5.864 ( 0.519 0.000 -10.933) 10.945 5.950 ( 3.630 0.000 4.277) 5.610 6.083 ( -5.329 0.000 -13.165) 14.202 6.128 ( 3.553 0.000 0.965) 3.682 6.282 ( -0.918 0.000 -0.509) 1.049 6.418 ( -12.075 0.000 0.817) 12.103 6.518 ( 3.302 0.000 3.480) 4.797 6.555 ( 14.511 0.000 9.063) 17.108 6.849 ( -8.674 0.000 10.152) 13.353 6.891 ( 3.027 0.000 0.254) 3.037 7.110 ( -2.947 0.000 -7.715) 8.258 7.137 ( -6.294 0.000 6.234) 8.859 7.212 ( 9.805 0.000 2.125) 10.032 7.250 ( 4.696 0.000 -5.177) 6.990 7.500 ( 7.500 0.000 10.821) 13.166 7.798 ( -6.647 0.000 1.278) 6.769 7.811 ( -15.013 0.000 -3.827) 15.493 7.888 ( -4.110 0.000 -1.550) 4.392 8.057 ( -1.711 0.000 -8.477) 8.648 8.529 ( 1.723 0.000 12.046) 12.169 8.606 ( 6.381 0.000 6.635) 9.205 8.616 ( -6.599 0.000 -2.715) 7.135 8.781 ( 5.404 0.000 -0.437) 5.421 8.894 ( -7.868 0.000 -1.713) 8.052 9.122 ( -7.522 0.000 -2.526) 7.935 9.207 ( 10.381 0.000 -1.434) 10.480 9.249 ( 3.575 0.000 3.001) 4.668 9.548 ( 1.932 0.000 3.552) 4.043 9.549 ( -0.813 0.000 -4.074) 4.154 9.863 ( 1.279 0.000 -3.823) 4.031 9.905 ( 2.251 0.000 -3.020) 3.767 10.067 ( -7.065 0.000 4.048) 8.143 10.199 ( -0.596 0.000 1.006) 1.169 10.290 ( 0.289 0.000 -7.044) 7.050 10.366 ( 2.465 0.000 5.889) 6.384 10.735 ( -2.851 0.000 1.536) 3.238 10.869 ( 5.738 0.000 0.478) 5.758 11.019 ( -5.707 0.000 3.971) 6.952 11.061 ( -1.448 0.000 -4.317) 4.553 11.327 ( -6.713 0.000 -6.684) 9.473 11.378 ( -6.144 0.000 2.368) 6.585 11.503 ( -6.435 0.000 -2.276) 6.826 11.724 ( 5.924 0.000 5.380) 8.003 11.932 ( -3.381 0.000 3.142) 4.616 11.958 ( 1.371 0.000 -0.999) 1.696 12.291 ( -2.937 0.000 -2.982) 4.185 12.377 ( -4.823 0.000 -2.088) 5.256 12.491 ( 3.999 0.000 1.199) 4.174 12.555 ( 6.947 0.000 0.412) 6.960 12.806 ( -1.636 0.000 -1.520) 2.233 12.952 ( 4.468 0.000 4.308) 6.207 13.263 ( -2.486 0.000 -2.191) 3.313 13.284 ( -1.217 0.000 0.620) 1.366 13.465 ( -4.260 0.000 3.298) 5.387 13.521 ( -4.007 0.000 -4.172) 5.785 13.571 ( 2.089 0.000 -4.803) 5.238 13.726 ( 7.766 0.000 3.685) 8.596 14.236 ( -1.577 0.000 -8.148) 8.299 14.308 ( 2.574 0.000 4.565) 5.241 14.546 ( 2.993 0.000 -0.051) 2.994 14.558 ( 4.075 0.000 6.663) 7.810 15.009 ( -1.344 0.000 -5.682) 5.839 15.037 ( 0.540 0.000 2.753) 2.805 15.213 ( -3.222 0.000 1.063) 3.393 15.305 ( 0.772 0.000 -0.382) 0.862 15.484 ( -3.614 0.000 -2.059) 4.160 15.584 ( 3.190 0.000 -1.288) 3.440 15.736 ( -8.443 0.000 3.284) 9.059 15.973 ( 5.101 0.000 -5.402) 7.429 16.372 ( -0.653 0.000 -3.527) 3.587 16.573 ( 9.028 0.000 12.449) 15.378 16.681 ( 1.334 0.000 -1.354) 1.901 16.768 ( 7.230 0.000 6.909) 10.000 17.113 ( -9.503 0.000 -7.433) 12.065 17.305 ( 1.638 0.000 -0.068) 1.639 17.508 ( -3.286 0.000 -3.377) 4.712 17.596 ( 2.438 0.000 -1.945) 3.119 17.662 ( 1.269 0.000 -2.729) 3.009 17.839 ( 3.680 0.000 8.396) 9.167 18.101 ( 11.693 0.000 6.375) 13.318 18.107 ( 3.685 0.000 1.261) 3.895 18.390 ( -0.931 0.000 -6.185) 6.255 18.465 ( 3.021 0.000 4.393) 5.332 18.736 ( -9.113 0.000 -2.255) 9.388 18.986 ( 4.161 0.000 2.620) 4.917 19.073 ( 2.660 0.000 1.928) 3.286 19.118 ( 2.910 0.000 4.082) 5.013 19.213 ( -12.870 0.000 -15.561) 20.194 19.504 ( 3.967 0.000 5.155) 6.505 19.727 ( -7.954 0.000 -9.145) 12.120 19.792 ( -2.915 0.000 -0.254) 2.926 19.835 ( 1.392 0.000 7.885) 8.007 19.910 ( -10.287 0.000 -2.563) 10.602 19.921 ( 5.277 0.000 1.536) 5.496 20.256 ( 8.958 0.000 6.636) 11.148 20.275 ( -22.074 0.000 -26.022) 34.124 20.682 ( -2.949 0.000 -2.938) 4.163 20.879 ( 1.966 0.000 1.580) 2.522 21.128 ( 18.680 0.000 18.371) 26.200 21.745 ( -14.012 0.000 -14.258) 19.991 22.073 ( 4.715 0.000 3.572) 5.916 22.194 ( -3.858 0.000 -3.626) 5.295 22.319 ( 3.176 0.000 3.726) 4.896 22.373 ( -1.678 0.000 -2.709) 3.186 22.394 ( -2.102 0.000 -3.951) 4.475 22.503 ( 3.861 0.000 3.155) 4.986 22.602 ( 11.690 0.000 15.565) 19.466 22.909 ( 0.752 0.000 -6.570) 6.613 23.214 ( 21.029 0.000 22.658) 30.913 24.071 ( -16.807 0.000 -20.833) 26.768 24.544 ( 11.495 0.000 13.778) 17.944 24.977 ( -2.455 0.000 -1.909) 3.110 25.058 ( 1.096 0.000 3.304) 3.481 25.458 ( -1.184 0.000 -0.558) 1.309 25.464 ( -9.734 0.000 -12.080) 15.514 25.975 ( -10.798 0.000 -14.334) 17.946 26.294 ( -12.626 0.000 3.781) 13.180 26.594 ( 12.345 0.000 16.410) 20.534 26.756 ( 10.527 0.000 3.390) 11.059 27.033 ( -4.541 0.000 1.225) 4.703 27.075 ( -1.068 0.000 -9.948) 10.006 27.429 ( 0.469 0.000 -2.275) 2.323 27.471 ( 3.124 0.000 2.470) 3.982 27.734 ( 1.096 0.000 4.950) 5.070 27.846 ( 6.468 0.000 1.631) 6.670 28.152 ( -1.862 0.000 1.288) 2.264 28.186 ( 0.415 0.000 -2.731) 2.762 28.295 ( -1.352 0.000 2.175) 2.561 28.377 ( 3.190 0.000 1.369) 3.471 28.703 ( -11.584 0.000 -15.271) 19.168 28.751 ( -3.173 0.000 -0.730) 3.256 28.900 ( 5.837 0.000 4.052) 7.106 28.948 ( 3.966 0.000 6.111) 7.285 29.104 ( -10.681 0.000 -8.591) 13.707 29.293 ( -28.613 0.000 -11.083) 30.684 29.478 ( 7.717 0.000 9.270) 12.062 29.799 ( 5.026 0.000 2.728) 5.719 29.883 ( -5.346 0.000 -5.446) 7.631 29.984 ( -0.211 0.000 -2.148) 2.158 30.075 ( 7.404 0.000 11.290) 13.502 30.560 ( 24.929 0.000 -6.651) 25.801 30.996 ( -13.035 0.000 -9.272) 15.996 31.480 ( 16.391 0.000 11.557) 20.056 31.491 ( -11.031 0.000 -12.273) 16.501 31.867 ( 8.869 0.000 5.151) 10.256 31.869 ( -5.086 0.000 -4.389) 6.717 32.089 ( 7.797 0.000 3.626) 8.599 32.370 ( -2.834 0.000 -6.882) 7.443 32.535 ( 1.559 0.000 2.284) 2.766 32.835 ( -3.683 0.000 -6.388) 7.373 33.041 ( 4.220 0.000 9.414) 10.317 33.099 ( -2.890 0.000 2.306) 3.698 33.164 ( 1.008 0.000 -1.471) 1.783 33.489 ( -4.022 0.000 3.325) 5.218 33.601 ( 3.951 0.000 -2.704) 4.788 33.818 ( -18.952 0.000 -2.614) 19.131 34.547 ( 22.915 0.000 16.914) 28.481 38.580 ( -1.971 0.000 -0.292) 1.993 38.602 ( -2.361 0.000 -1.199) 2.648 38.815 ( -3.971 0.000 6.676) 7.768 38.998 ( 8.015 0.000 -8.668) 11.805 39.492 ( -0.644 0.000 -4.454) 4.501 39.535 ( 0.886 0.000 6.889) 6.946 39.919 ( -9.853 0.000 4.339) 10.766 40.193 ( 8.238 0.000 -0.879) 8.285 41.723 ( -0.327 0.000 -4.131) 4.144 41.769 ( 1.545 0.000 4.078) 4.361 41.826 ( -9.385 0.000 1.810) 9.557 42.130 ( 12.243 0.000 -11.147) 16.557 42.540 ( -1.407 0.000 -2.640) 2.991 42.621 ( 3.230 0.000 2.420) 4.036 43.851 ( -11.014 0.000 -1.181) 11.077 43.887 ( -10.037 0.000 2.139) 10.263 ======================= Grid point 121 (55/84) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -1.896 0.000 -25.526) 25.596 1.731 ( 8.353 0.000 -14.323) 16.581 2.061 ( 10.455 0.000 -1.539) 10.568 2.418 ( 0.179 0.000 5.698) 5.701 2.668 ( 4.898 0.000 -10.824) 11.881 2.749 ( -13.162 0.000 0.296) 13.165 2.873 ( 5.494 0.000 5.776) 7.971 2.926 ( -1.616 0.000 -3.923) 4.243 3.117 ( -2.334 0.000 -9.310) 9.598 3.254 ( -0.927 0.000 -6.396) 6.463 3.380 ( 10.621 0.000 -9.894) 14.515 3.404 ( -1.356 0.000 -1.418) 1.963 3.438 ( -6.422 0.000 -4.970) 8.120 3.592 ( -5.973 0.000 4.862) 7.702 3.636 ( -1.717 0.000 4.297) 4.628 3.708 ( -2.888 0.000 -3.755) 4.737 4.009 ( -3.009 0.000 -3.606) 4.697 4.129 ( -5.038 0.000 -6.199) 7.988 4.287 ( 6.849 0.000 7.866) 10.430 4.370 ( 1.018 0.000 14.441) 14.477 4.423 ( 2.010 0.000 2.970) 3.586 4.560 ( -0.130 0.000 7.702) 7.703 4.621 ( 2.959 0.000 -2.360) 3.785 4.889 ( -4.084 0.000 3.287) 5.242 5.146 ( 2.629 0.000 2.341) 3.520 5.171 ( -8.877 0.000 -5.780) 10.593 5.194 ( 4.555 0.000 -1.417) 4.771 5.479 ( 0.194 0.000 -7.604) 7.607 5.525 ( 17.130 0.000 20.651) 26.831 5.616 ( 3.336 0.000 -2.628) 4.247 5.690 ( 1.070 0.000 -9.201) 9.263 5.784 ( 5.129 0.000 8.082) 9.572 5.896 ( 3.188 0.000 -3.872) 5.016 6.050 ( 9.884 0.000 -4.711) 10.949 6.084 ( -1.052 0.000 -8.954) 9.015 6.263 ( 2.129 0.000 -3.340) 3.961 6.445 ( -3.454 0.000 9.587) 10.190 6.608 ( 3.127 0.000 4.087) 5.146 6.649 ( -20.251 0.000 -15.843) 25.712 6.733 ( -3.243 0.000 3.981) 5.135 6.850 ( -9.825 0.000 10.143) 14.121 7.021 ( 8.549 0.000 0.565) 8.568 7.128 ( -13.220 0.000 13.432) 18.846 7.253 ( 8.519 0.000 1.530) 8.655 7.528 ( -8.175 0.000 3.435) 8.867 7.538 ( 3.690 0.000 1.555) 4.005 7.681 ( -3.809 0.000 1.718) 4.178 7.806 ( 0.034 0.000 -6.886) 6.886 7.816 ( -1.067 0.000 1.908) 2.186 8.005 ( 6.581 0.000 2.892) 7.188 8.499 ( -7.773 0.000 1.858) 7.992 8.549 ( -4.832 0.000 -2.136) 5.283 8.592 ( -8.003 0.000 -2.735) 8.457 8.885 ( 7.233 0.000 -6.445) 9.688 8.911 ( 1.234 0.000 11.155) 11.223 9.000 ( -6.858 0.000 4.150) 8.016 9.349 ( 9.791 0.000 2.998) 10.240 9.391 ( 7.592 0.000 6.259) 9.839 9.464 ( -3.843 0.000 -3.868) 5.452 9.664 ( 4.626 0.000 5.469) 7.163 9.785 ( -7.019 0.000 -3.586) 7.882 9.829 ( 3.284 0.000 -5.385) 6.308 10.096 ( 1.173 0.000 1.996) 2.315 10.172 ( 0.313 0.000 -3.806) 3.818 10.238 ( -0.989 0.000 -1.290) 1.625 10.483 ( 2.473 0.000 6.015) 6.503 10.704 ( -1.854 0.000 -0.835) 2.033 10.877 ( -2.379 0.000 -7.918) 8.268 10.963 ( -1.514 0.000 -6.815) 6.981 10.979 ( -5.624 0.000 6.538) 8.624 11.128 ( -3.528 0.000 -10.551) 11.125 11.332 ( -4.722 0.000 3.141) 5.671 11.356 ( -9.333 0.000 -2.461) 9.652 11.791 ( -3.128 0.000 0.697) 3.205 11.947 ( -2.292 0.000 4.129) 4.722 11.985 ( 2.003 0.000 0.319) 2.028 12.237 ( 1.651 0.000 -0.877) 1.869 12.376 ( 1.046 0.000 5.924) 6.016 12.519 ( -0.138 0.000 0.302) 0.333 12.649 ( 5.464 0.000 -0.403) 5.479 12.805 ( 1.097 0.000 0.374) 1.159 13.025 ( -2.602 0.000 3.397) 4.279 13.181 ( -0.986 0.000 -5.261) 5.352 13.268 ( 0.338 0.000 -1.482) 1.520 13.385 ( -5.437 0.000 -4.730) 7.207 13.429 ( -4.365 0.000 1.727) 4.694 13.572 ( 4.167 0.000 -2.613) 4.919 13.871 ( 6.550 0.000 0.894) 6.611 14.133 ( 1.985 0.000 -7.700) 7.951 14.400 ( 4.911 0.000 0.498) 4.936 14.585 ( 2.142 0.000 -0.131) 2.146 14.759 ( 5.648 0.000 9.275) 10.859 14.881 ( -3.567 0.000 -3.436) 4.953 15.030 ( -1.641 0.000 -2.327) 2.847 15.250 ( -4.726 0.000 -2.844) 5.516 15.278 ( 1.448 0.000 10.588) 10.687 15.474 ( 1.242 0.000 3.197) 3.430 15.628 ( 5.542 0.000 0.144) 5.544 15.689 ( -5.798 0.000 6.173) 8.469 15.926 ( -1.177 0.000 -5.391) 5.518 16.392 ( 2.825 0.000 -0.740) 2.921 16.711 ( 2.374 0.000 0.410) 2.409 16.773 ( 0.945 0.000 4.370) 4.471 16.898 ( -2.816 0.000 -8.397) 8.857 16.981 ( 6.484 0.000 2.855) 7.085 17.294 ( 0.741 0.000 -1.597) 1.761 17.422 ( -1.157 0.000 -4.312) 4.464 17.584 ( 0.084 0.000 -1.491) 1.494 17.715 ( 3.200 0.000 1.748) 3.646 18.016 ( 12.126 0.000 10.309) 15.915 18.118 ( -0.665 0.000 -3.184) 3.253 18.345 ( 3.005 0.000 -2.273) 3.768 18.380 ( 4.222 0.000 2.679) 5.000 18.529 ( -2.568 0.000 -4.648) 5.311 18.621 ( -4.807 0.000 1.955) 5.190 18.941 ( 6.293 0.000 6.108) 8.770 19.082 ( -0.030 0.000 4.254) 4.254 19.148 ( 0.819 0.000 -2.398) 2.534 19.210 ( 0.419 0.000 4.245) 4.265 19.407 ( -14.273 0.000 -10.174) 17.528 19.508 ( -15.283 0.000 -18.554) 24.037 19.566 ( 0.054 0.000 1.675) 1.676 19.839 ( 0.093 0.000 0.404) 0.414 19.871 ( -1.731 0.000 0.566) 1.821 19.906 ( -0.937 0.000 -2.304) 2.487 20.021 ( 4.055 0.000 -0.081) 4.056 20.406 ( 1.145 0.000 -2.715) 2.947 20.601 ( -1.737 0.000 4.784) 5.089 20.946 ( 1.704 0.000 4.053) 4.396 21.432 ( -7.237 0.000 -8.171) 10.915 21.491 ( 6.537 0.000 6.813) 9.442 22.120 ( -1.067 0.000 -1.658) 1.972 22.124 ( 2.100 0.000 -0.096) 2.102 22.301 ( -0.402 0.000 -4.202) 4.221 22.389 ( 0.917 0.000 1.957) 2.161 22.404 ( 1.400 0.000 2.000) 2.442 22.565 ( 2.690 0.000 0.820) 2.812 22.885 ( 3.915 0.000 -4.420) 5.905 23.076 ( 19.086 0.000 19.735) 27.455 23.521 ( -19.581 0.000 -21.679) 29.213 23.902 ( 23.520 0.000 22.219) 32.355 24.781 ( 4.181 0.000 4.681) 6.276 24.851 ( -24.475 0.000 -23.355) 33.830 24.943 ( -1.788 0.000 -1.151) 2.126 25.088 ( -1.967 0.000 1.936) 2.760 25.477 ( 4.381 0.000 0.689) 4.435 25.935 ( 4.343 0.000 4.229) 6.062 26.138 ( -13.279 0.000 6.742) 14.893 26.890 ( 2.651 0.000 -0.606) 2.719 26.911 ( -7.870 0.000 -4.771) 9.203 26.956 ( 1.128 0.000 -6.198) 6.300 26.961 ( 8.330 0.000 14.599) 16.809 27.407 ( 0.875 0.000 -2.545) 2.691 27.564 ( 3.147 0.000 3.158) 4.458 27.827 ( 1.815 0.000 4.255) 4.626 27.916 ( 1.957 0.000 -1.334) 2.369 28.140 ( -1.520 0.000 -0.973) 1.804 28.163 ( 0.960 0.000 -1.958) 2.180 28.327 ( -0.237 0.000 3.357) 3.365 28.364 ( -2.722 0.000 -6.299) 6.862 28.444 ( -0.892 0.000 -2.964) 3.095 28.745 ( -0.977 0.000 2.756) 2.924 28.858 ( -8.763 0.000 -1.323) 8.862 28.953 ( -3.347 0.000 -1.861) 3.829 28.969 ( 0.853 0.000 0.258) 0.892 29.081 ( 3.023 0.000 3.279) 4.459 29.565 ( -0.369 0.000 0.557) 0.669 29.808 ( 0.392 0.000 -2.485) 2.516 29.931 ( 4.825 0.000 3.334) 5.865 29.965 ( 0.159 0.000 -1.113) 1.124 30.367 ( 2.262 0.000 5.200) 5.671 30.597 ( 4.334 0.000 -3.730) 5.718 30.757 ( -7.487 0.000 -0.925) 7.544 31.287 ( 0.434 0.000 -7.326) 7.339 31.754 ( -2.416 0.000 -4.959) 5.516 31.818 ( 10.336 0.000 5.004) 11.484 31.969 ( 5.785 0.000 -1.216) 5.911 32.235 ( 5.627 0.000 3.422) 6.586 32.323 ( 7.611 0.000 -5.647) 9.477 32.395 ( -8.914 0.000 -8.491) 12.310 32.821 ( 2.139 0.000 -1.810) 2.802 33.011 ( -5.854 0.000 -0.447) 5.871 33.161 ( 0.362 0.000 -0.116) 0.380 33.253 ( 3.092 0.000 8.780) 9.309 33.481 ( -2.971 0.000 3.959) 4.949 33.550 ( -3.960 0.000 -4.668) 6.122 33.672 ( -1.287 0.000 1.976) 2.358 35.013 ( 7.813 0.000 14.698) 16.646 38.519 ( -5.004 0.000 -2.268) 5.494 38.560 ( -1.218 0.000 0.807) 1.461 38.855 ( -1.307 0.000 5.067) 5.233 38.988 ( 5.841 0.000 -9.073) 10.790 39.448 ( 0.496 0.000 -2.268) 2.321 39.635 ( 0.944 0.000 5.952) 6.026 39.840 ( -8.106 0.000 5.038) 9.544 40.290 ( 4.725 0.000 -0.072) 4.726 41.648 ( -5.212 0.000 -5.225) 7.380 41.706 ( 0.021 0.000 -3.629) 3.629 41.818 ( 0.193 0.000 1.291) 1.305 42.152 ( 12.104 0.000 -13.698) 18.280 42.505 ( -0.461 0.000 -0.494) 0.676 42.691 ( 2.337 0.000 1.396) 2.722 43.635 ( -11.869 0.000 -3.141) 12.278 43.750 ( -13.767 0.000 4.688) 14.543 ======================= Grid point 122 (56/84) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 28.094 0.000 16.930) 32.801 1.751 ( 12.366 0.000 -7.911) 14.680 2.140 ( 7.018 0.000 -11.022) 13.066 2.283 ( -17.175 0.000 -3.587) 17.545 2.635 ( -2.423 0.000 -1.303) 2.751 2.670 ( 14.271 0.000 -3.449) 14.682 2.827 ( -9.661 0.000 -1.802) 9.828 2.865 ( -3.780 0.000 -17.846) 18.242 3.002 ( 0.586 0.000 7.019) 7.043 3.144 ( -8.485 0.000 -16.048) 18.153 3.340 ( 1.840 0.000 13.255) 13.382 3.436 ( 1.628 0.000 0.327) 1.660 3.469 ( 10.596 0.000 -4.617) 11.558 3.494 ( -3.742 0.000 -0.923) 3.854 3.619 ( -1.516 0.000 -3.611) 3.916 3.673 ( 0.349 0.000 3.137) 3.157 3.902 ( -0.876 0.000 -6.784) 6.840 4.016 ( -0.992 0.000 -4.731) 4.834 4.510 ( 3.307 0.000 2.604) 4.209 4.532 ( -4.400 0.000 9.869) 10.806 4.552 ( 0.225 0.000 16.193) 16.195 4.590 ( -2.740 0.000 3.102) 4.138 4.688 ( 7.344 0.000 2.183) 7.662 4.885 ( -2.608 0.000 5.053) 5.686 4.964 ( -2.210 0.000 -4.066) 4.628 5.188 ( -0.148 0.000 -4.663) 4.665 5.209 ( 2.628 0.000 0.201) 2.636 5.499 ( 8.214 0.000 -1.477) 8.346 5.505 ( -5.547 0.000 -7.256) 9.134 5.625 ( -0.026 0.000 -1.063) 1.064 5.795 ( -7.054 0.000 -11.404) 13.409 6.006 ( -0.692 0.000 0.490) 0.848 6.032 ( 12.324 0.000 16.867) 20.890 6.042 ( 16.438 0.000 0.749) 16.455 6.147 ( 6.718 0.000 -2.688) 7.235 6.254 ( -1.443 0.000 -8.266) 8.391 6.335 ( 3.110 0.000 3.167) 4.438 6.473 ( -0.949 0.000 5.766) 5.844 6.732 ( 2.417 0.000 7.688) 8.059 6.735 ( -2.069 0.000 3.534) 4.095 6.805 ( -11.798 0.000 9.214) 14.969 7.015 ( -19.557 0.000 6.554) 20.626 7.091 ( 7.286 0.000 -5.209) 8.957 7.380 ( -2.673 0.000 -3.127) 4.113 7.442 ( -0.294 0.000 -6.828) 6.834 7.453 ( -8.349 0.000 3.418) 9.021 7.596 ( -5.416 0.000 -2.054) 5.793 7.765 ( 5.217 0.000 -1.539) 5.440 7.833 ( -4.286 0.000 1.559) 4.560 7.985 ( -6.775 0.000 -11.272) 13.151 8.397 ( -6.506 0.000 2.750) 7.064 8.531 ( -1.614 0.000 3.053) 3.454 8.587 ( 7.159 0.000 2.791) 7.684 8.816 ( 2.423 0.000 -6.573) 7.005 9.011 ( -0.543 0.000 2.217) 2.282 9.076 ( -2.862 0.000 13.823) 14.116 9.365 ( -2.870 0.000 -1.335) 3.165 9.567 ( 9.850 0.000 6.377) 11.734 9.604 ( 9.435 0.000 7.016) 11.757 9.628 ( -7.432 0.000 1.868) 7.663 9.831 ( 6.270 0.000 1.504) 6.448 9.848 ( 4.506 0.000 -1.763) 4.839 10.111 ( -1.934 0.000 2.591) 3.233 10.155 ( 2.941 0.000 -2.427) 3.813 10.197 ( -3.822 0.000 0.356) 3.839 10.510 ( -6.064 0.000 -2.197) 6.450 10.657 ( -0.990 0.000 -4.247) 4.361 10.684 ( -8.050 0.000 -5.193) 9.580 10.891 ( 2.765 0.000 -4.180) 5.011 10.968 ( 0.779 0.000 -1.530) 1.717 11.019 ( 2.088 0.000 -6.436) 6.767 11.164 ( -8.732 0.000 -4.884) 10.006 11.338 ( -2.489 0.000 5.324) 5.878 11.715 ( -5.513 0.000 -3.336) 6.444 11.902 ( -1.810 0.000 -1.232) 2.189 12.005 ( 0.576 0.000 -0.639) 0.860 12.357 ( 5.050 0.000 7.808) 9.299 12.494 ( 1.466 0.000 8.312) 8.441 12.526 ( 0.488 0.000 1.169) 1.267 12.679 ( 0.711 0.000 -2.700) 2.793 12.836 ( 1.959 0.000 1.250) 2.324 12.956 ( -5.292 0.000 -2.336) 5.785 13.134 ( 0.296 0.000 -2.285) 2.305 13.238 ( -0.573 0.000 -5.540) 5.569 13.299 ( 0.362 0.000 0.176) 0.403 13.390 ( -3.238 0.000 0.887) 3.357 13.630 ( 5.064 0.000 0.806) 5.128 13.895 ( -1.232 0.000 -3.174) 3.405 14.123 ( 6.908 0.000 -4.508) 8.248 14.407 ( -2.038 0.000 -4.712) 5.134 14.626 ( 2.674 0.000 0.968) 2.844 14.710 ( -2.308 0.000 -2.617) 3.490 14.976 ( -1.565 0.000 -0.925) 1.818 15.117 ( 8.895 0.000 13.725) 16.355 15.145 ( -2.797 0.000 -0.583) 2.857 15.422 ( -2.028 0.000 10.490) 10.685 15.553 ( 5.193 0.000 0.386) 5.207 15.717 ( -5.362 0.000 12.091) 13.227 15.786 ( 11.717 0.000 3.224) 12.152 15.844 ( -1.419 0.000 -2.831) 3.167 16.363 ( -1.555 0.000 -5.539) 5.753 16.665 ( -10.593 0.000 -7.703) 13.098 16.691 ( -0.465 0.000 -2.817) 2.855 16.916 ( 7.731 0.000 1.694) 7.915 16.962 ( -3.114 0.000 -7.382) 8.012 17.301 ( 0.683 0.000 -1.594) 1.734 17.387 ( 1.953 0.000 -1.071) 2.227 17.617 ( 3.510 0.000 1.816) 3.952 17.739 ( -0.100 0.000 -1.617) 1.620 18.050 ( -11.623 0.000 -11.249) 16.175 18.062 ( -0.444 0.000 -2.130) 2.176 18.318 ( -4.944 0.000 -5.993) 7.770 18.402 ( 4.569 0.000 1.071) 4.693 18.657 ( 0.761 0.000 7.508) 7.546 18.686 ( 15.696 0.000 15.243) 21.879 18.786 ( -10.759 0.000 -13.398) 17.183 19.076 ( -2.647 0.000 0.912) 2.800 19.194 ( -1.932 0.000 -7.313) 7.564 19.199 ( -4.654 0.000 -0.887) 4.738 19.329 ( 5.716 0.000 9.357) 10.965 19.527 ( 17.508 0.000 15.902) 23.652 19.562 ( -1.843 0.000 0.127) 1.847 19.779 ( -1.808 0.000 -2.435) 3.033 19.822 ( -2.952 0.000 -2.888) 4.130 20.021 ( -0.082 0.000 -4.823) 4.823 20.049 ( 9.992 0.000 10.335) 14.375 20.226 ( -8.143 0.000 -10.196) 13.049 20.740 ( 3.767 0.000 8.173) 9.000 21.001 ( -1.504 0.000 2.814) 3.191 21.386 ( 6.949 0.000 3.750) 7.896 21.466 ( -8.133 0.000 -8.588) 11.828 22.122 ( 1.615 0.000 1.146) 1.980 22.154 ( 1.383 0.000 0.353) 1.428 22.262 ( 0.737 0.000 -2.525) 2.631 22.380 ( -3.128 0.000 -1.452) 3.449 22.458 ( 2.103 0.000 2.263) 3.089 22.593 ( -0.373 0.000 -1.464) 1.511 22.900 ( 4.516 0.000 -3.203) 5.536 22.904 ( -19.052 0.000 -20.169) 27.745 23.646 ( -4.439 0.000 -5.767) 7.277 23.760 ( -1.312 0.000 -2.828) 3.117 24.773 ( -5.599 0.000 -3.922) 6.836 24.902 ( 9.172 0.000 9.415) 13.144 24.979 ( 14.030 0.000 15.110) 20.619 25.047 ( -3.658 0.000 -1.189) 3.846 25.589 ( 7.362 0.000 1.705) 7.556 26.068 ( 1.714 0.000 8.196) 8.373 26.106 ( -8.463 0.000 13.331) 15.791 26.702 ( -10.503 0.000 -6.811) 12.518 26.784 ( -2.871 0.000 -11.838) 12.182 27.013 ( 10.120 0.000 2.711) 10.477 27.196 ( 2.760 0.000 10.194) 10.561 27.442 ( 2.952 0.000 2.544) 3.897 27.602 ( -1.010 0.000 -0.552) 1.151 27.849 ( -3.739 0.000 -2.484) 4.489 27.899 ( 0.660 0.000 -3.200) 3.267 28.068 ( -1.188 0.000 -2.907) 3.141 28.145 ( -0.265 0.000 -2.603) 2.616 28.349 ( -1.281 0.000 1.492) 1.966 28.397 ( 1.491 0.000 -0.699) 1.647 28.447 ( 9.993 0.000 7.719) 12.628 28.747 ( -0.428 0.000 3.810) 3.834 28.923 ( 3.258 0.000 3.364) 4.683 28.954 ( -2.126 0.000 -2.454) 3.246 29.060 ( -3.266 0.000 -3.104) 4.506 29.085 ( 5.410 0.000 21.127) 21.809 29.536 ( -2.755 0.000 -2.351) 3.622 29.822 ( 2.760 0.000 1.481) 3.133 29.935 ( -4.848 0.000 -10.128) 11.228 29.978 ( 2.580 0.000 1.420) 2.945 30.123 ( -11.458 0.000 -7.814) 13.869 30.619 ( 4.081 0.000 2.491) 4.781 31.042 ( 13.814 0.000 8.727) 16.340 31.266 ( 4.667 0.000 4.986) 6.829 31.715 ( 2.123 0.000 1.089) 2.386 31.726 ( -7.240 0.000 -13.685) 15.482 32.144 ( 3.122 0.000 -1.464) 3.448 32.174 ( -0.993 0.000 -3.943) 4.066 32.341 ( 2.233 0.000 3.016) 3.752 32.413 ( 10.803 0.000 -4.126) 11.564 32.769 ( -1.254 0.000 -5.932) 6.063 32.897 ( -7.207 0.000 -2.559) 7.647 33.172 ( 0.828 0.000 0.139) 0.840 33.282 ( -2.423 0.000 -3.746) 4.461 33.501 ( -2.402 0.000 5.318) 5.836 33.571 ( 1.834 0.000 10.018) 10.184 33.698 ( 0.511 0.000 3.363) 3.402 35.004 ( -14.893 0.000 -8.129) 16.967 38.446 ( -0.883 0.000 -0.911) 1.269 38.560 ( -0.065 0.000 0.364) 0.369 38.884 ( -1.471 0.000 2.516) 2.915 38.948 ( 3.218 0.000 -7.846) 8.480 39.455 ( 1.798 0.000 0.860) 1.993 39.660 ( -2.864 0.000 -0.234) 2.873 39.850 ( -2.921 0.000 9.970) 10.389 40.288 ( -1.642 0.000 -4.331) 4.632 41.564 ( 2.074 0.000 -0.748) 2.205 41.710 ( 3.282 0.000 -1.312) 3.535 41.806 ( -1.708 0.000 -1.036) 1.997 42.134 ( 11.434 0.000 -17.733) 21.100 42.522 ( 0.952 0.000 2.748) 2.909 42.706 ( -0.514 0.000 -1.153) 1.263 43.508 ( -1.053 0.000 -0.840) 1.347 43.612 ( -13.738 0.000 5.774) 14.902 ======================= Grid point 123 (57/84) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 13.439 0.000 11.386) 17.614 1.786 ( -0.382 0.000 -6.993) 7.003 1.964 ( -23.768 0.000 3.934) 24.091 2.114 ( 11.823 0.000 -8.973) 14.843 2.565 ( -13.533 0.000 2.162) 13.705 2.595 ( -18.390 0.000 1.859) 18.484 2.691 ( 9.549 0.000 -4.496) 10.554 2.783 ( 3.719 0.000 -8.018) 8.839 3.002 ( 15.595 0.000 -8.492) 17.757 3.029 ( -5.533 0.000 -0.477) 5.553 3.405 ( -1.507 0.000 3.607) 3.909 3.473 ( -1.155 0.000 4.731) 4.870 3.512 ( -0.749 0.000 -0.799) 1.095 3.532 ( 0.769 0.000 -6.872) 6.915 3.708 ( 13.826 0.000 7.911) 15.929 3.723 ( -0.772 0.000 2.867) 2.969 3.842 ( 4.259 0.000 -7.164) 8.334 3.911 ( -3.893 0.000 -8.684) 9.517 4.454 ( -4.455 0.000 1.383) 4.665 4.504 ( -1.280 0.000 -2.714) 3.001 4.630 ( -5.195 0.000 6.863) 8.608 4.671 ( 0.199 0.000 6.043) 6.046 4.859 ( 8.906 0.000 5.043) 10.235 4.934 ( -0.056 0.000 1.748) 1.749 5.053 ( 4.729 0.000 4.203) 6.326 5.085 ( -4.678 0.000 -1.488) 4.909 5.269 ( 5.060 0.000 4.148) 6.543 5.408 ( -4.017 0.000 -4.759) 6.228 5.544 ( -0.339 0.000 -4.445) 4.458 5.546 ( -3.792 0.000 -6.818) 7.801 5.715 ( 11.651 0.000 6.565) 13.373 5.914 ( -10.379 0.000 -7.005) 12.521 6.047 ( 1.406 0.000 -4.618) 4.828 6.126 ( 2.027 0.000 -7.136) 7.418 6.293 ( -8.993 0.000 8.467) 12.352 6.333 ( 15.601 0.000 3.330) 15.952 6.539 ( -8.924 0.000 7.108) 11.409 6.592 ( 16.388 0.000 2.566) 16.588 6.733 ( -10.955 0.000 8.549) 13.897 6.788 ( 6.493 0.000 1.579) 6.683 6.819 ( -2.454 0.000 3.300) 4.113 6.944 ( 3.156 0.000 12.050) 12.456 7.014 ( -3.033 0.000 -13.894) 14.221 7.192 ( -3.213 0.000 -9.794) 10.308 7.360 ( -9.665 0.000 2.187) 9.909 7.440 ( 4.674 0.000 -4.509) 6.494 7.537 ( 1.497 0.000 4.318) 4.570 7.691 ( -8.817 0.000 -10.386) 13.624 7.780 ( -4.651 0.000 2.367) 5.218 7.852 ( 7.831 0.000 -2.596) 8.250 8.402 ( -1.033 0.000 4.964) 5.070 8.494 ( -1.609 0.000 -3.132) 3.521 8.732 ( 5.742 0.000 3.310) 6.627 8.800 ( -1.026 0.000 -2.856) 3.034 9.045 ( 1.313 0.000 3.281) 3.534 9.103 ( -3.828 0.000 0.703) 3.892 9.418 ( -0.606 0.000 12.280) 12.295 9.592 ( -0.438 0.000 -0.479) 0.649 9.749 ( 3.763 0.000 3.688) 5.270 9.794 ( 3.597 0.000 -1.109) 3.764 9.844 ( -1.975 0.000 1.100) 2.261 9.870 ( 1.873 0.000 -3.072) 3.598 10.146 ( -2.289 0.000 7.014) 7.378 10.167 ( 1.390 0.000 3.173) 3.464 10.225 ( 6.132 0.000 0.365) 6.143 10.292 ( -8.951 0.000 -7.329) 11.568 10.541 ( -7.254 0.000 -1.182) 7.350 10.588 ( 1.715 0.000 -4.658) 4.964 10.922 ( 1.395 0.000 0.527) 1.491 10.955 ( -1.278 0.000 -2.902) 3.171 10.993 ( -6.057 0.000 -3.745) 7.121 11.025 ( 9.284 0.000 -4.489) 10.313 11.416 ( 3.683 0.000 6.410) 7.392 11.559 ( -5.115 0.000 -6.726) 8.450 11.918 ( 1.416 0.000 2.615) 2.974 11.981 ( -0.870 0.000 -2.617) 2.758 12.505 ( 3.575 0.000 4.788) 5.975 12.559 ( 0.250 0.000 0.820) 0.857 12.582 ( -2.783 0.000 5.715) 6.356 12.634 ( -0.307 0.000 -2.161) 2.182 12.864 ( -0.420 0.000 0.079) 0.428 12.883 ( 0.202 0.000 -2.028) 2.038 13.117 ( -0.658 0.000 0.226) 0.696 13.172 ( 0.303 0.000 -3.461) 3.474 13.344 ( 4.378 0.000 -0.223) 4.383 13.348 ( -3.233 0.000 -0.145) 3.236 13.725 ( 4.487 0.000 2.712) 5.243 13.798 ( -4.667 0.000 -4.173) 6.260 14.201 ( 7.050 0.000 0.014) 7.050 14.261 ( -7.077 0.000 -5.234) 8.802 14.667 ( 1.100 0.000 0.894) 1.418 14.676 ( -1.992 0.000 -0.138) 1.996 14.977 ( -0.082 0.000 2.748) 2.750 15.065 ( 0.063 0.000 -4.526) 4.526 15.428 ( 3.861 0.000 14.101) 14.620 15.473 ( -4.908 0.000 6.426) 8.086 15.607 ( 3.760 0.000 -2.111) 4.312 15.743 ( -0.788 0.000 -9.579) 9.612 15.870 ( 2.718 0.000 15.272) 15.512 16.022 ( 5.988 0.000 3.779) 7.081 16.267 ( 2.884 0.000 -3.698) 4.690 16.373 ( -11.397 0.000 -10.345) 15.392 16.703 ( 4.144 0.000 0.483) 4.172 16.774 ( -7.939 0.000 -6.624) 10.339 17.076 ( 6.366 0.000 6.416) 9.038 17.230 ( -3.697 0.000 -6.566) 7.535 17.471 ( 5.429 0.000 5.672) 7.851 17.635 ( -2.029 0.000 -6.134) 6.461 17.731 ( 2.919 0.000 -0.027) 2.919 17.778 ( -9.237 0.000 -5.195) 10.598 18.049 ( 0.353 0.000 -1.044) 1.102 18.089 ( -4.207 0.000 -6.926) 8.104 18.501 ( 5.573 0.000 3.569) 6.618 18.582 ( -6.913 0.000 -3.584) 7.787 18.778 ( 0.274 0.000 8.065) 8.070 18.897 ( 4.830 0.000 -1.502) 5.058 19.076 ( -2.534 0.000 -2.825) 3.795 19.094 ( -3.716 0.000 -2.970) 4.757 19.365 ( 14.388 0.000 13.662) 19.841 19.509 ( 8.657 0.000 7.081) 11.184 19.518 ( -3.318 0.000 -1.898) 3.822 19.686 ( -9.635 0.000 -7.847) 12.426 19.744 ( -0.139 0.000 1.598) 1.604 19.865 ( -5.321 0.000 -9.071) 10.517 19.881 ( 5.950 0.000 8.532) 10.402 20.041 ( -2.586 0.000 -7.080) 7.537 20.509 ( 21.449 0.000 22.478) 31.069 20.846 ( -1.465 0.000 -0.113) 1.469 20.979 ( -2.282 0.000 -0.010) 2.282 21.084 ( -15.586 0.000 -16.628) 22.791 21.734 ( 19.868 0.000 17.587) 26.534 22.100 ( -11.349 0.000 -10.245) 15.290 22.185 ( 2.429 0.000 2.500) 3.485 22.246 ( -4.661 0.000 -5.158) 6.952 22.274 ( 3.979 0.000 1.184) 4.152 22.394 ( -10.969 0.000 -10.916) 15.475 22.522 ( 2.927 0.000 2.401) 3.786 22.578 ( -5.290 0.000 -3.490) 6.338 22.945 ( 5.500 0.000 -0.127) 5.501 23.060 ( -14.343 0.000 -13.482) 19.685 24.254 ( 18.620 0.000 16.268) 24.726 24.533 ( -14.534 0.000 -10.218) 17.767 24.949 ( 1.588 0.000 1.148) 1.960 24.980 ( -2.374 0.000 -1.679) 2.908 25.489 ( 11.961 0.000 13.167) 17.789 25.669 ( 1.915 0.000 -3.980) 4.416 26.182 ( -5.626 0.000 12.727) 13.915 26.202 ( 4.747 0.000 7.895) 9.212 26.472 ( -8.877 0.000 -3.327) 9.480 26.619 ( 2.330 0.000 -12.517) 12.732 27.258 ( 12.359 0.000 5.615) 13.575 27.275 ( -6.679 0.000 4.321) 7.955 27.479 ( -1.344 0.000 1.600) 2.090 27.538 ( -1.317 0.000 -3.489) 3.729 27.777 ( -1.114 0.000 1.069) 1.544 27.852 ( -0.929 0.000 -4.581) 4.674 28.054 ( 0.558 0.000 0.080) 0.564 28.093 ( -1.076 0.000 -3.408) 3.574 28.336 ( -0.860 0.000 0.376) 0.939 28.354 ( -1.157 0.000 -1.765) 2.111 28.715 ( 4.759 0.000 5.849) 7.540 28.833 ( -4.474 0.000 -5.607) 7.173 28.988 ( 18.138 0.000 16.146) 24.283 29.002 ( 3.197 0.000 2.181) 3.870 29.006 ( -2.565 0.000 -0.257) 2.578 29.341 ( -14.616 0.000 -13.402) 19.831 29.400 ( 1.170 0.000 16.901) 16.941 29.646 ( -2.780 0.000 -10.722) 11.077 29.922 ( 2.902 0.000 5.953) 6.623 30.000 ( -4.038 0.000 -1.581) 4.337 30.137 ( 6.671 0.000 15.184) 16.585 30.658 ( 5.438 0.000 -20.525) 21.233 31.127 ( 7.120 0.000 4.018) 8.175 31.394 ( -10.810 0.000 -15.941) 19.261 31.669 ( 13.300 0.000 20.292) 24.262 31.850 ( 5.767 0.000 10.287) 11.793 31.946 ( -9.278 0.000 -8.458) 12.555 32.146 ( -3.667 0.000 -12.595) 13.118 32.384 ( -2.035 0.000 3.100) 3.708 32.482 ( 5.356 0.000 -5.494) 7.673 32.735 ( 5.031 0.000 -1.165) 5.164 32.751 ( -6.866 0.000 -2.849) 7.434 33.185 ( 1.454 0.000 -0.348) 1.495 33.201 ( -1.903 0.000 -2.480) 3.125 33.536 ( -2.749 0.000 6.048) 6.643 33.650 ( 2.759 0.000 -3.542) 4.490 33.911 ( 3.063 0.000 28.367) 28.531 34.517 ( -17.415 0.000 -24.198) 29.813 38.471 ( 1.502 0.000 2.866) 3.236 38.553 ( 0.560 0.000 -2.886) 2.939 38.876 ( -1.893 0.000 0.630) 1.995 38.900 ( 0.811 0.000 -3.906) 3.990 39.519 ( 3.280 0.000 3.236) 4.608 39.590 ( -3.281 0.000 -2.580) 4.174 39.962 ( -0.444 0.000 11.181) 11.190 40.173 ( -1.895 0.000 -8.133) 8.351 41.656 ( 2.120 0.000 7.223) 7.528 41.751 ( -3.265 0.000 -1.738) 3.699 41.758 ( 2.742 0.000 1.829) 3.296 42.030 ( 7.653 0.000 -21.971) 23.266 42.590 ( 2.170 0.000 3.801) 4.377 42.660 ( -2.132 0.000 -2.592) 3.356 43.498 ( -11.255 0.000 5.820) 12.671 43.559 ( 7.155 0.000 0.063) 7.155 ======================= Grid point 124 (58/84) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -22.332 0.000 -15.865) 27.394 1.621 ( -19.346 0.000 2.627) 19.524 1.808 ( -11.636 0.000 17.729) 21.206 2.243 ( 11.603 0.000 -0.528) 11.615 2.390 ( -24.133 0.000 9.273) 25.854 2.547 ( 1.565 0.000 8.191) 8.339 2.781 ( -13.112 0.000 -7.851) 15.283 2.839 ( 14.151 0.000 -4.434) 14.830 2.958 ( 19.278 0.000 4.620) 19.824 3.104 ( 4.269 0.000 -1.990) 4.710 3.381 ( -11.957 0.000 3.242) 12.389 3.450 ( 0.199 0.000 -0.089) 0.219 3.500 ( 0.319 0.000 6.514) 6.522 3.511 ( 3.076 0.000 -3.879) 4.951 3.635 ( -2.886 0.000 -8.080) 8.580 3.775 ( 1.159 0.000 -5.103) 5.233 3.851 ( 6.313 0.000 -3.757) 7.346 3.943 ( 4.814 0.000 1.245) 4.972 4.513 ( 3.157 0.000 3.540) 4.743 4.536 ( 7.084 0.000 2.076) 7.382 4.622 ( -4.216 0.000 6.349) 7.621 4.712 ( -0.082 0.000 -0.812) 0.816 4.843 ( -3.116 0.000 -7.407) 8.036 4.993 ( 5.910 0.000 -3.911) 7.086 5.045 ( -2.454 0.000 -6.170) 6.640 5.107 ( 1.213 0.000 2.502) 2.780 5.222 ( -5.805 0.000 -3.906) 6.996 5.438 ( 5.096 0.000 3.046) 5.937 5.509 ( -4.148 0.000 -2.142) 4.668 5.530 ( 2.349 0.000 6.680) 7.081 5.677 ( -2.240 0.000 -7.608) 7.931 6.006 ( 10.494 0.000 10.097) 14.563 6.018 ( -7.671 0.000 1.362) 7.791 6.072 ( 2.498 0.000 -5.510) 6.050 6.134 ( -11.654 0.000 -1.969) 11.819 6.384 ( -13.731 0.000 -4.811) 14.550 6.419 ( -3.865 0.000 -5.090) 6.391 6.672 ( -0.809 0.000 -11.803) 11.830 6.749 ( 4.344 0.000 3.146) 5.363 6.909 ( -1.201 0.000 -7.066) 7.167 6.941 ( 0.407 0.000 7.409) 7.420 6.951 ( 11.919 0.000 5.872) 13.287 7.000 ( 5.892 0.000 -5.515) 8.071 7.102 ( 2.165 0.000 12.955) 13.135 7.340 ( -3.019 0.000 8.670) 9.181 7.537 ( 9.165 0.000 -3.499) 9.810 7.557 ( 1.785 0.000 -0.832) 1.969 7.707 ( 4.080 0.000 8.724) 9.631 7.772 ( 2.872 0.000 3.465) 4.500 7.921 ( 8.146 0.000 -5.503) 9.831 8.446 ( 0.821 0.000 -2.182) 2.331 8.471 ( 0.700 0.000 7.552) 7.584 8.693 ( -5.126 0.000 -5.917) 7.829 8.779 ( -2.327 0.000 -2.194) 3.198 9.060 ( -0.194 0.000 -1.804) 1.815 9.148 ( 5.439 0.000 5.191) 7.518 9.509 ( -2.286 0.000 -10.783) 11.023 9.588 ( 1.676 0.000 12.048) 12.164 9.659 ( -7.264 0.000 -3.466) 8.049 9.703 ( -8.931 0.000 -2.771) 9.351 9.836 ( -1.580 0.000 -4.317) 4.597 9.849 ( -3.279 0.000 0.165) 3.283 10.127 ( -6.962 0.000 0.437) 6.975 10.204 ( 3.206 0.000 -0.830) 3.311 10.213 ( -0.329 0.000 -2.587) 2.608 10.390 ( 11.061 0.000 5.864) 12.520 10.519 ( 0.542 0.000 6.619) 6.641 10.625 ( 4.298 0.000 1.031) 4.420 10.854 ( -7.842 0.000 4.019) 8.812 10.870 ( -4.444 0.000 -2.886) 5.299 10.993 ( 5.822 0.000 -0.981) 5.904 11.138 ( 10.868 0.000 -1.740) 11.006 11.453 ( 1.506 0.000 -5.166) 5.381 11.588 ( 7.124 0.000 7.334) 10.225 11.929 ( -0.684 0.000 -3.157) 3.230 11.968 ( 0.412 0.000 2.321) 2.358 12.494 ( -3.745 0.000 -4.558) 5.899 12.543 ( -3.005 0.000 0.698) 3.085 12.612 ( 1.003 0.000 3.788) 3.919 12.638 ( -0.249 0.000 -2.936) 2.947 12.859 ( 0.740 0.000 3.472) 3.550 12.871 ( -0.419 0.000 -1.948) 1.993 13.134 ( 0.217 0.000 3.063) 3.070 13.156 ( 1.408 0.000 -2.342) 2.732 13.303 ( -1.763 0.000 -0.176) 1.772 13.403 ( 4.432 0.000 -0.918) 4.526 13.671 ( -6.197 0.000 -3.038) 6.901 13.819 ( 2.390 0.000 3.663) 4.374 14.101 ( -7.150 0.000 -3.106) 7.796 14.314 ( 4.730 0.000 3.092) 5.651 14.633 ( -3.768 0.000 0.262) 3.777 14.681 ( -0.353 0.000 0.914) 0.979 15.020 ( 1.542 0.000 -4.466) 4.725 15.039 ( 2.097 0.000 4.938) 5.365 15.429 ( -6.676 0.000 -3.953) 7.759 15.552 ( -6.569 0.000 -7.410) 9.902 15.575 ( 1.667 0.000 2.659) 3.138 15.634 ( -1.286 0.000 4.740) 4.911 15.985 ( -6.170 0.000 -5.882) 8.525 15.995 ( 3.464 0.000 -10.465) 11.023 16.216 ( 1.976 0.000 5.963) 6.282 16.475 ( 13.876 0.000 8.725) 16.391 16.635 ( -4.204 0.000 0.633) 4.252 16.808 ( 4.098 0.000 5.689) 7.012 17.041 ( -7.817 0.000 -8.924) 11.864 17.224 ( 2.801 0.000 5.233) 5.936 17.442 ( -6.201 0.000 -7.098) 9.425 17.606 ( 0.360 0.000 4.039) 4.055 17.695 ( -1.089 0.000 1.261) 1.667 17.868 ( 9.089 0.000 5.489) 10.618 18.046 ( 0.783 0.000 -0.377) 0.869 18.100 ( 6.740 0.000 8.280) 10.676 18.451 ( -5.213 0.000 -3.204) 6.119 18.631 ( 3.115 0.000 3.794) 4.909 18.836 ( -2.668 0.000 -8.697) 9.097 18.845 ( 1.746 0.000 3.089) 3.548 19.082 ( 1.576 0.000 2.241) 2.740 19.136 ( 6.660 0.000 4.682) 8.141 19.246 ( -18.502 0.000 -15.039) 23.843 19.472 ( -4.187 0.000 -4.954) 6.486 19.548 ( 3.178 0.000 2.429) 4.000 19.735 ( 4.439 0.000 4.066) 6.020 19.768 ( 0.552 0.000 -2.428) 2.490 19.861 ( 4.898 0.000 9.881) 11.029 19.869 ( -8.438 0.000 -12.213) 14.844 20.040 ( 6.804 0.000 7.130) 9.856 20.384 ( -22.564 0.000 -21.165) 30.937 20.855 ( -1.026 0.000 -1.562) 1.869 21.013 ( 3.360 0.000 1.761) 3.793 21.156 ( 15.707 0.000 18.458) 24.237 21.615 ( -17.258 0.000 -17.150) 24.331 22.145 ( 3.419 0.000 3.446) 4.855 22.171 ( -3.131 0.000 -3.302) 4.551 22.239 ( -1.943 0.000 -0.841) 2.117 22.288 ( 8.309 0.000 7.498) 11.192 22.463 ( 10.906 0.000 10.027) 14.814 22.495 ( -2.977 0.000 -1.313) 3.254 22.625 ( 6.780 0.000 5.441) 8.693 22.864 ( -5.755 0.000 -0.644) 5.791 23.163 ( 17.789 0.000 15.610) 23.667 24.114 ( -19.933 0.000 -15.796) 25.433 24.636 ( 11.398 0.000 9.237) 14.671 24.940 ( -0.901 0.000 -0.998) 1.345 25.006 ( 3.416 0.000 2.155) 4.038 25.428 ( -15.889 0.000 -18.955) 24.734 25.605 ( -3.856 0.000 0.670) 3.914 26.199 ( -1.825 0.000 0.435) 1.876 26.351 ( 7.024 0.000 -4.659) 8.429 26.479 ( 0.288 0.000 12.650) 12.653 26.605 ( 9.979 0.000 -0.525) 9.993 27.095 ( -14.342 0.000 -3.412) 14.743 27.334 ( -3.144 0.000 -2.363) 3.933 27.515 ( -0.196 0.000 -2.847) 2.854 27.573 ( 7.574 0.000 2.345) 7.929 27.794 ( 0.434 0.000 -0.398) 0.589 27.812 ( -0.774 0.000 4.525) 4.591 28.049 ( -0.554 0.000 -1.209) 1.330 28.082 ( 1.046 0.000 2.734) 2.927 28.347 ( 0.872 0.000 0.813) 1.192 28.354 ( 1.025 0.000 1.879) 2.140 28.693 ( -7.666 0.000 -9.371) 12.107 28.854 ( 5.599 0.000 5.981) 8.193 28.878 ( -10.700 0.000 -7.363) 12.988 28.994 ( -3.642 0.000 -6.642) 7.574 29.041 ( 2.052 0.000 -0.697) 2.167 29.435 ( 10.714 0.000 8.545) 13.705 29.544 ( 2.395 0.000 -12.256) 12.488 29.617 ( 10.074 0.000 15.281) 18.303 29.928 ( -2.405 0.000 -2.734) 3.641 30.033 ( 4.215 0.000 4.155) 5.919 30.248 ( -6.809 0.000 -36.073) 36.710 30.460 ( 2.553 0.000 19.301) 19.470 31.074 ( -8.877 0.000 -9.215) 12.796 31.406 ( 10.041 0.000 14.894) 17.963 31.636 ( -13.498 0.000 -16.378) 21.224 31.866 ( -6.689 0.000 -13.161) 14.763 31.998 ( 8.508 0.000 9.338) 12.633 32.073 ( 0.454 0.000 9.622) 9.633 32.337 ( -9.139 0.000 2.572) 9.494 32.433 ( -0.752 0.000 -5.797) 5.846 32.669 ( -2.026 0.000 1.811) 2.718 32.854 ( 9.200 0.000 1.361) 9.301 33.170 ( -0.526 0.000 -0.110) 0.537 33.219 ( 2.837 0.000 1.164) 3.066 33.562 ( -3.582 0.000 5.072) 6.209 33.624 ( 1.981 0.000 -5.512) 5.857 34.027 ( -9.738 0.000 -20.247) 22.467 34.477 ( 14.717 0.000 40.883) 43.452 38.495 ( -0.416 0.000 -5.756) 5.771 38.530 ( 1.183 0.000 2.763) 3.006 38.855 ( -2.442 0.000 1.447) 2.839 38.886 ( -0.174 0.000 0.810) 0.828 39.514 ( -1.778 0.000 -3.485) 3.913 39.619 ( 4.233 0.000 3.286) 5.358 40.051 ( -0.329 0.000 -8.555) 8.562 40.115 ( 2.011 0.000 11.718) 11.889 41.673 ( -3.833 0.000 -2.674) 4.673 41.754 ( 0.088 0.000 5.605) 5.606 41.805 ( -1.001 0.000 -21.004) 21.027 41.830 ( -1.099 0.000 7.099) 7.183 42.592 ( -1.893 0.000 -3.168) 3.691 42.663 ( 1.734 0.000 2.842) 3.329 43.441 ( -5.736 0.000 6.083) 8.361 43.686 ( 10.171 0.000 -1.052) 10.225 ======================= Grid point 125 (59/84) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -38.802 0.000 -22.880) 45.046 1.362 ( -25.583 0.000 16.708) 30.556 1.989 ( -1.311 0.000 9.624) 9.713 2.049 ( -38.548 0.000 35.777) 52.592 2.395 ( 4.625 0.000 3.847) 6.016 2.670 ( -5.485 0.000 9.572) 11.032 2.696 ( 5.638 0.000 4.925) 7.486 2.917 ( 2.338 0.000 -4.184) 4.793 3.050 ( -1.183 0.000 -7.641) 7.732 3.277 ( -0.409 0.000 3.134) 3.160 3.305 ( 5.110 0.000 4.950) 7.115 3.467 ( 1.499 0.000 -3.408) 3.723 3.476 ( 3.912 0.000 -9.846) 10.595 3.608 ( 14.021 0.000 0.055) 14.021 3.610 ( 2.312 0.000 5.120) 5.617 3.752 ( 3.876 0.000 -5.516) 6.742 3.957 ( 9.879 0.000 0.273) 9.883 3.996 ( 1.945 0.000 4.286) 4.706 4.465 ( -7.698 0.000 -5.880) 9.687 4.583 ( -7.116 0.000 -0.759) 7.156 4.629 ( -1.614 0.000 -4.969) 5.225 4.675 ( 5.481 0.000 -3.916) 6.736 4.735 ( 0.732 0.000 -20.727) 20.740 4.969 ( 5.941 0.000 10.524) 12.085 4.991 ( 5.034 0.000 -6.110) 7.917 5.152 ( -0.586 0.000 2.069) 2.151 5.179 ( -0.584 0.000 0.448) 0.736 5.384 ( -5.938 0.000 0.760) 5.987 5.540 ( 5.358 0.000 2.952) 6.118 5.605 ( -6.483 0.000 -1.759) 6.717 5.699 ( -0.867 0.000 11.563) 11.596 5.857 ( -5.286 0.000 -0.362) 5.299 5.947 ( -19.461 0.000 -12.840) 23.315 5.992 ( -11.211 0.000 0.781) 11.238 6.084 ( 4.088 0.000 -2.913) 5.019 6.206 ( -0.452 0.000 -2.130) 2.177 6.389 ( 9.275 0.000 5.217) 10.641 6.569 ( 4.467 0.000 -4.958) 6.674 6.760 ( -2.933 0.000 -7.913) 8.439 6.811 ( 1.525 0.000 -0.490) 1.602 6.942 ( -4.487 0.000 4.279) 6.200 7.024 ( 7.046 0.000 -6.960) 9.904 7.293 ( -9.504 0.000 0.749) 9.534 7.334 ( 20.787 0.000 3.538) 21.086 7.428 ( 9.505 0.000 11.720) 15.090 7.597 ( 6.896 0.000 -2.554) 7.354 7.661 ( 5.856 0.000 2.494) 6.365 7.700 ( -2.885 0.000 -1.365) 3.192 7.934 ( 2.553 0.000 -6.547) 7.027 7.976 ( 3.614 0.000 6.223) 7.196 8.467 ( -4.639 0.000 1.733) 4.953 8.587 ( 9.514 0.000 -4.613) 10.574 8.599 ( 4.591 0.000 0.367) 4.605 8.665 ( -7.956 0.000 7.104) 10.666 9.066 ( 4.148 0.000 -1.134) 4.300 9.231 ( -0.160 0.000 -14.680) 14.681 9.358 ( 0.594 0.000 5.446) 5.479 9.470 ( -10.715 0.000 -5.523) 12.055 9.515 ( -8.911 0.000 -5.109) 10.272 9.752 ( -3.706 0.000 0.758) 3.783 9.769 ( 7.739 0.000 -2.155) 8.034 9.781 ( -4.459 0.000 -0.647) 4.506 10.065 ( -4.316 0.000 4.666) 6.356 10.124 ( -2.613 0.000 -3.868) 4.667 10.225 ( -0.837 0.000 0.215) 0.864 10.568 ( 3.000 0.000 0.374) 3.023 10.641 ( 2.945 0.000 6.106) 6.779 10.694 ( -0.039 0.000 6.809) 6.809 10.821 ( -0.655 0.000 2.925) 2.998 10.873 ( -1.781 0.000 11.036) 11.179 11.102 ( 12.052 0.000 -4.050) 12.715 11.293 ( 10.564 0.000 0.700) 10.587 11.457 ( 6.702 0.000 -5.091) 8.417 11.781 ( 8.097 0.000 4.529) 9.277 11.916 ( 1.786 0.000 1.585) 2.388 11.975 ( -2.277 0.000 1.033) 2.500 12.362 ( -3.936 0.000 -7.743) 8.686 12.514 ( -1.867 0.000 1.147) 2.191 12.529 ( -3.104 0.000 -7.163) 7.807 12.648 ( -0.958 0.000 0.598) 1.129 12.823 ( -1.834 0.000 -1.987) 2.704 12.994 ( 5.961 0.000 7.433) 9.528 13.130 ( -1.414 0.000 -2.315) 2.713 13.184 ( -0.118 0.000 4.591) 4.592 13.318 ( 2.719 0.000 1.961) 3.352 13.454 ( 4.441 0.000 -1.027) 4.559 13.551 ( -6.436 0.000 -0.768) 6.482 13.847 ( -5.496 0.000 2.683) 6.116 14.011 ( -2.484 0.000 1.831) 3.086 14.373 ( -2.079 0.000 2.185) 3.016 14.578 ( -3.911 0.000 0.527) 3.946 14.718 ( 2.572 0.000 3.562) 4.393 15.015 ( 3.351 0.000 -1.863) 3.834 15.118 ( -4.566 0.000 -8.741) 9.862 15.181 ( 0.721 0.000 -1.952) 2.081 15.471 ( -4.098 0.000 1.534) 4.376 15.536 ( -1.165 0.000 -11.477) 11.536 15.626 ( -8.489 0.000 3.209) 9.075 15.827 ( -1.820 0.000 1.048) 2.100 15.928 ( 6.947 0.000 -12.573) 14.364 16.336 ( 1.049 0.000 4.600) 4.718 16.677 ( 3.032 0.000 5.727) 6.480 16.760 ( 9.730 0.000 5.135) 11.002 16.825 ( -8.288 0.000 -4.684) 9.520 16.919 ( -0.562 0.000 6.029) 6.055 17.276 ( -0.864 0.000 1.160) 1.446 17.342 ( -2.398 0.000 1.377) 2.765 17.584 ( -2.427 0.000 -0.776) 2.548 17.725 ( 0.087 0.000 1.663) 1.665 18.064 ( 1.315 0.000 0.389) 1.371 18.085 ( 5.569 0.000 8.445) 10.116 18.334 ( -6.190 0.000 -1.580) 6.389 18.351 ( 4.604 0.000 3.237) 5.628 18.585 ( -15.520 0.000 -15.093) 21.648 18.711 ( -0.218 0.000 -5.741) 5.745 18.815 ( 12.239 0.000 17.683) 21.505 19.124 ( -1.498 0.000 -0.282) 1.524 19.186 ( 10.327 0.000 7.977) 13.050 19.263 ( 4.432 0.000 0.023) 4.433 19.335 ( -4.783 0.000 -8.746) 9.968 19.416 ( -16.839 0.000 -16.019) 23.242 19.592 ( 1.619 0.000 -0.541) 1.707 19.791 ( 2.257 0.000 1.769) 2.867 19.831 ( 2.512 0.000 3.859) 4.605 19.967 ( -0.954 0.000 5.141) 5.229 19.991 ( -8.445 0.000 -6.890) 10.899 20.274 ( 8.633 0.000 7.090) 11.171 20.758 ( -2.923 0.000 -6.620) 7.236 21.053 ( 1.293 0.000 -4.032) 4.234 21.334 ( -2.996 0.000 -0.977) 3.151 21.500 ( 6.068 0.000 6.820) 9.129 22.109 ( -1.270 0.000 -0.703) 1.451 22.138 ( -1.878 0.000 -1.470) 2.385 22.233 ( -0.410 0.000 1.851) 1.896 22.400 ( 0.961 0.000 1.051) 1.425 22.443 ( -2.036 0.000 -1.381) 2.460 22.579 ( -1.135 0.000 -0.015) 1.135 22.806 ( -4.394 0.000 2.562) 5.086 23.004 ( 18.546 0.000 18.832) 26.431 23.569 ( -18.782 0.000 -18.197) 26.152 23.835 ( 21.635 0.000 24.256) 32.503 24.809 ( 2.909 0.000 1.775) 3.408 24.839 ( -15.538 0.000 -18.761) 24.360 24.946 ( -2.495 0.000 -2.614) 3.614 25.090 ( 3.717 0.000 1.632) 4.060 25.505 ( -6.111 0.000 -1.800) 6.371 26.110 ( -4.296 0.000 -10.667) 11.500 26.342 ( 8.622 0.000 -10.541) 13.618 26.727 ( 7.071 0.000 16.441) 17.897 26.803 ( 9.554 0.000 4.872) 10.724 26.882 ( -9.118 0.000 -0.328) 9.124 27.203 ( -6.339 0.000 -7.342) 9.700 27.418 ( -4.268 0.000 -3.850) 5.748 27.634 ( 1.621 0.000 -3.246) 3.628 27.852 ( -0.910 0.000 4.323) 4.417 27.869 ( 2.061 0.000 2.423) 3.181 28.064 ( 2.169 0.000 3.400) 4.033 28.128 ( 0.084 0.000 1.911) 1.912 28.332 ( -9.495 0.000 -6.044) 11.256 28.370 ( 0.612 0.000 -0.204) 0.645 28.410 ( -1.214 0.000 -0.592) 1.351 28.792 ( 1.820 0.000 -2.127) 2.799 28.908 ( -1.858 0.000 -1.865) 2.632 28.975 ( 2.437 0.000 0.525) 2.493 29.078 ( 2.309 0.000 2.058) 3.093 29.203 ( -10.211 0.000 -29.628) 31.338 29.551 ( 1.925 0.000 1.831) 2.656 29.804 ( -3.283 0.000 -4.426) 5.511 29.925 ( 3.161 0.000 5.504) 6.347 29.945 ( -2.567 0.000 0.152) 2.571 30.212 ( 10.912 0.000 9.144) 14.237 30.602 ( 1.577 0.000 2.640) 3.076 30.915 ( -10.557 0.000 -3.760) 11.207 31.250 ( -6.974 0.000 -10.084) 12.261 31.702 ( -1.746 0.000 -2.011) 2.663 31.709 ( 6.325 0.000 11.784) 13.374 32.012 ( -10.967 0.000 -2.592) 11.269 32.217 ( 7.805 0.000 7.738) 10.991 32.218 ( -10.256 0.000 3.662) 10.890 32.328 ( -4.560 0.000 -5.231) 6.940 32.731 ( 0.837 0.000 5.600) 5.662 33.002 ( 8.393 0.000 0.538) 8.410 33.166 ( -0.228 0.000 -0.123) 0.259 33.295 ( 3.174 0.000 2.606) 4.107 33.533 ( -5.679 0.000 0.583) 5.709 33.582 ( 1.921 0.000 -5.292) 5.630 33.756 ( -1.820 0.000 -8.665) 8.854 35.144 ( 16.021 0.000 11.742) 19.863 38.467 ( 3.426 0.000 1.697) 3.824 38.569 ( 1.421 0.000 0.630) 1.555 38.843 ( -3.895 0.000 3.936) 5.538 38.900 ( -0.126 0.000 1.151) 1.157 39.456 ( -0.427 0.000 -3.062) 3.092 39.699 ( 2.469 0.000 0.062) 2.470 39.966 ( 2.647 0.000 -6.533) 7.049 40.270 ( 1.092 0.000 3.811) 3.964 41.535 ( -2.047 0.000 -1.128) 2.337 41.643 ( -3.967 0.000 1.239) 4.156 41.805 ( -0.280 0.000 3.092) 3.105 41.885 ( -5.278 0.000 9.049) 10.476 42.536 ( -0.487 0.000 -2.638) 2.682 42.699 ( -0.248 0.000 0.719) 0.761 43.526 ( 6.661 0.000 8.377) 10.702 43.817 ( 9.690 0.000 -1.626) 9.826 ======================= Grid point 126 (60/84) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 29.115 0.000 39.504) 49.074 1.382 ( -11.324 0.000 29.806) 31.884 1.885 ( -9.642 0.000 10.912) 14.561 2.331 ( -10.887 0.000 38.505) 40.014 2.441 ( -1.077 0.000 -2.188) 2.439 2.656 ( -12.251 0.000 -1.291) 12.319 2.772 ( -7.201 0.000 21.822) 22.979 2.980 ( 3.430 0.000 -1.247) 3.650 3.014 ( 12.667 0.000 -0.287) 12.670 3.228 ( -6.560 0.000 1.968) 6.849 3.338 ( 5.092 0.000 -4.408) 6.734 3.475 ( 4.264 0.000 -2.271) 4.831 3.531 ( 2.077 0.000 -2.109) 2.960 3.687 ( -0.152 0.000 -7.078) 7.080 3.721 ( 3.768 0.000 1.768) 4.162 3.778 ( 10.072 0.000 -5.265) 11.365 4.085 ( 5.612 0.000 -0.897) 5.683 4.150 ( 6.767 0.000 8.545) 10.900 4.242 ( -7.445 0.000 -9.075) 11.739 4.428 ( -3.791 0.000 -1.620) 4.123 4.481 ( -2.246 0.000 -12.443) 12.644 4.601 ( 0.630 0.000 -4.792) 4.834 4.642 ( 0.828 0.000 -9.817) 9.851 4.985 ( 3.123 0.000 -5.925) 6.698 5.064 ( -5.124 0.000 2.504) 5.703 5.140 ( -2.809 0.000 -1.198) 3.054 5.267 ( 1.665 0.000 0.146) 1.671 5.421 ( -16.322 0.000 -12.805) 20.745 5.452 ( 6.915 0.000 8.587) 11.025 5.558 ( 3.427 0.000 6.883) 7.689 5.624 ( -0.229 0.000 3.837) 3.844 5.759 ( -5.662 0.000 -6.749) 8.809 5.853 ( 2.488 0.000 5.042) 5.622 5.916 ( -0.741 0.000 3.884) 3.954 6.115 ( 7.352 0.000 -1.676) 7.541 6.208 ( 0.099 0.000 4.982) 4.983 6.583 ( 0.642 0.000 -3.307) 3.369 6.618 ( 0.091 0.000 -10.703) 10.703 6.692 ( -1.413 0.000 10.595) 10.689 6.820 ( 8.717 0.000 3.105) 9.253 6.891 ( -9.048 0.000 -0.516) 9.063 7.019 ( 3.453 0.000 -5.625) 6.600 7.144 ( -5.013 0.000 -0.342) 5.024 7.414 ( 4.747 0.000 -18.034) 18.648 7.470 ( -11.562 0.000 -8.660) 14.445 7.642 ( 4.099 0.000 -1.541) 4.379 7.766 ( 5.265 0.000 2.068) 5.656 7.782 ( 4.793 0.000 3.972) 6.226 7.870 ( 4.373 0.000 -3.058) 5.336 7.949 ( -3.536 0.000 -1.290) 3.764 8.472 ( 1.086 0.000 7.941) 8.015 8.651 ( -3.274 0.000 8.020) 8.662 8.702 ( -2.877 0.000 1.136) 3.093 8.782 ( 15.926 0.000 -4.493) 16.548 8.961 ( -6.749 0.000 -11.862) 13.648 9.145 ( 7.204 0.000 -2.397) 7.592 9.232 ( -10.268 0.000 -4.973) 11.408 9.332 ( -6.006 0.000 -4.332) 7.405 9.484 ( 3.169 0.000 2.928) 4.314 9.662 ( -1.536 0.000 -5.960) 6.154 9.748 ( -1.828 0.000 4.303) 4.675 9.804 ( -1.010 0.000 2.605) 2.794 10.121 ( 0.349 0.000 7.831) 7.839 10.131 ( 4.519 0.000 -0.280) 4.528 10.212 ( -1.816 0.000 1.320) 2.245 10.510 ( -1.833 0.000 -6.734) 6.979 10.731 ( 2.519 0.000 2.099) 3.279 10.758 ( -5.506 0.000 8.365) 10.014 10.900 ( 0.323 0.000 8.143) 8.149 11.030 ( 0.543 0.000 10.593) 10.607 11.222 ( 12.317 0.000 -3.604) 12.833 11.423 ( 5.672 0.000 -0.773) 5.725 11.514 ( 8.658 0.000 -3.606) 9.379 11.854 ( -0.283 0.000 -5.647) 5.654 11.941 ( -3.057 0.000 0.741) 3.146 12.001 ( 2.378 0.000 0.123) 2.381 12.240 ( 2.589 0.000 -2.339) 3.490 12.431 ( 1.577 0.000 -5.484) 5.706 12.501 ( -3.150 0.000 0.816) 3.254 12.596 ( -3.313 0.000 -3.059) 4.510 12.785 ( -0.883 0.000 0.016) 0.884 13.042 ( -4.922 0.000 -3.692) 6.153 13.170 ( 4.344 0.000 6.324) 7.672 13.247 ( 1.094 0.000 3.916) 4.066 13.419 ( 4.272 0.000 4.759) 6.395 13.482 ( -3.876 0.000 2.646) 4.693 13.509 ( 4.456 0.000 -1.174) 4.608 13.767 ( -6.728 0.000 0.406) 6.740 14.059 ( 0.970 0.000 6.912) 6.980 14.340 ( -2.802 0.000 0.496) 2.846 14.543 ( -2.736 0.000 0.975) 2.904 14.752 ( -4.673 0.000 -5.182) 6.978 14.915 ( 1.566 0.000 -2.694) 3.116 15.057 ( 3.341 0.000 -0.732) 3.420 15.294 ( 4.228 0.000 2.219) 4.775 15.323 ( -4.531 0.000 -7.920) 9.125 15.437 ( -1.742 0.000 2.028) 2.673 15.586 ( 0.100 0.000 -1.067) 1.072 15.863 ( -2.745 0.000 5.370) 6.031 15.899 ( 9.451 0.000 -10.792) 14.346 16.339 ( -3.636 0.000 0.314) 3.649 16.662 ( -4.203 0.000 -0.451) 4.228 16.775 ( -5.200 0.000 -5.691) 7.709 16.907 ( 9.572 0.000 10.741) 14.388 16.914 ( -6.566 0.000 -3.673) 7.524 17.270 ( -0.579 0.000 1.683) 1.780 17.393 ( 1.910 0.000 6.134) 6.424 17.567 ( -0.855 0.000 0.547) 1.015 17.684 ( -3.610 0.000 -2.688) 4.501 17.954 ( -6.730 0.000 -6.705) 9.500 18.081 ( -1.935 0.000 2.832) 3.430 18.284 ( -1.728 0.000 3.264) 3.693 18.328 ( -9.335 0.000 -8.789) 12.821 18.529 ( 0.203 0.000 -0.402) 0.450 18.715 ( 6.186 0.000 -0.442) 6.202 18.901 ( 1.010 0.000 6.419) 6.498 19.094 ( -1.989 0.000 1.051) 2.250 19.132 ( -3.585 0.000 -8.882) 9.579 19.239 ( -2.035 0.000 -6.005) 6.341 19.524 ( 12.891 0.000 10.984) 16.936 19.567 ( 18.210 0.000 22.464) 28.918 19.581 ( -0.573 0.000 -2.520) 2.584 19.855 ( 3.444 0.000 1.317) 3.687 19.885 ( -0.014 0.000 1.615) 1.615 19.904 ( 2.688 0.000 4.164) 4.956 19.974 ( -2.268 0.000 -1.541) 2.742 20.346 ( -6.607 0.000 -1.259) 6.726 20.677 ( 3.421 0.000 -3.357) 4.793 20.967 ( -1.673 0.000 -6.205) 6.426 21.446 ( -10.286 0.000 -10.335) 14.582 21.467 ( 9.103 0.000 11.014) 14.288 22.095 ( -1.751 0.000 -0.016) 1.751 22.122 ( 1.667 0.000 2.478) 2.986 22.274 ( 0.939 0.000 4.070) 4.177 22.381 ( -2.256 0.000 -1.665) 2.804 22.402 ( -0.932 0.000 -1.458) 1.731 22.545 ( -1.257 0.000 -1.263) 1.782 22.795 ( -2.592 0.000 4.170) 4.910 22.978 ( -17.638 0.000 -18.018) 25.214 23.615 ( 19.074 0.000 20.336) 27.881 23.749 ( -25.131 0.000 -23.499) 34.406 24.764 ( -5.043 0.000 -6.601) 8.307 24.938 ( 3.620 0.000 3.535) 5.060 25.013 ( 21.873 0.000 22.073) 31.075 25.118 ( -0.408 0.000 -1.850) 1.895 25.442 ( -0.359 0.000 0.745) 0.828 25.879 ( -8.274 0.000 -3.207) 8.873 26.387 ( 11.986 0.000 -6.286) 13.535 26.827 ( -5.271 0.000 0.215) 5.276 26.884 ( -2.343 0.000 4.337) 4.930 26.915 ( -9.085 0.000 -6.378) 11.100 27.016 ( 5.266 0.000 -3.178) 6.151 27.387 ( 0.993 0.000 1.705) 1.973 27.572 ( -1.275 0.000 -5.836) 5.974 27.842 ( -1.328 0.000 -3.868) 4.090 27.865 ( -3.425 0.000 0.668) 3.489 28.133 ( -1.186 0.000 1.579) 1.975 28.151 ( 1.784 0.000 2.298) 2.909 28.351 ( -0.414 0.000 -2.345) 2.381 28.373 ( 5.088 0.000 4.569) 6.838 28.440 ( 5.399 0.000 5.888) 7.988 28.779 ( -0.096 0.000 -2.947) 2.949 28.956 ( 7.260 0.000 5.449) 9.077 28.965 ( -1.563 0.000 -2.590) 3.025 29.066 ( -3.130 0.000 -3.725) 4.865 29.071 ( 22.839 0.000 7.700) 24.102 29.571 ( -0.708 0.000 -0.841) 1.100 29.793 ( 1.995 0.000 2.676) 3.338 29.897 ( -4.580 0.000 -4.183) 6.203 29.943 ( -1.013 0.000 1.851) 2.110 30.344 ( -8.368 0.000 -6.774) 10.766 30.481 ( -11.119 0.000 -3.973) 11.808 30.843 ( 7.013 0.000 4.837) 8.519 31.257 ( 7.528 0.000 8.017) 10.997 31.695 ( -13.820 0.000 -7.945) 15.941 31.763 ( 5.013 0.000 5.305) 7.298 31.897 ( -1.959 0.000 2.186) 2.936 32.179 ( -6.899 0.000 -4.843) 8.429 32.196 ( -1.423 0.000 8.361) 8.481 32.433 ( 6.721 0.000 8.660) 10.962 32.763 ( -2.880 0.000 2.347) 3.716 33.099 ( 5.239 0.000 -1.045) 5.342 33.156 ( -0.510 0.000 -0.533) 0.738 33.265 ( -4.838 0.000 -7.100) 8.592 33.504 ( -2.090 0.000 4.964) 5.386 33.561 ( 2.766 0.000 -3.515) 4.473 33.760 ( 8.419 0.000 1.837) 8.617 34.950 ( -26.151 0.000 -21.078) 33.588 38.594 ( 2.347 0.000 -0.868) 2.503 38.601 ( 7.313 0.000 -0.301) 7.319 38.833 ( -6.022 0.000 5.901) 8.432 38.917 ( 3.584 0.000 -1.285) 3.808 39.429 ( -0.417 0.000 0.088) 0.426 39.668 ( -1.390 0.000 -5.083) 5.270 39.989 ( 7.205 0.000 -2.387) 7.591 40.168 ( -12.652 0.000 0.274) 12.655 41.629 ( -0.888 0.000 4.001) 4.099 41.787 ( 18.472 0.000 7.149) 19.807 41.818 ( -0.786 0.000 -0.038) 0.787 41.903 ( -7.340 0.000 9.087) 11.681 42.520 ( 1.218 0.000 -0.730) 1.420 42.671 ( -2.232 0.000 -1.861) 2.906 43.811 ( 16.144 0.000 3.814) 16.588 43.919 ( 5.971 0.000 -0.987) 6.052 ======================= Grid point 127 (61/84) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 9.685 1.534 27.891) 29.565 1.801 ( 8.351 13.565 25.821) 30.339 2.002 ( 1.163 4.849 -6.503) 8.195 2.216 ( -8.086 5.271 -12.291) 15.628 2.583 ( -6.345 5.806 5.548) 10.235 2.710 ( 4.205 5.281 -1.026) 6.828 2.985 ( -2.994 -2.025 12.745) 13.248 3.048 ( -5.178 1.318 8.044) 9.657 3.059 ( 0.079 -4.832 0.471) 4.855 3.188 ( 5.018 -3.258 1.424) 6.150 3.423 ( 3.910 6.233 0.703) 7.391 3.489 ( -1.051 1.063 -0.836) 1.713 3.532 ( -5.992 -0.262 -2.886) 6.656 3.595 ( -0.749 5.559 5.714) 8.008 3.684 ( -0.814 0.520 -8.972) 9.024 3.826 ( 7.057 2.765 -9.539) 12.184 4.057 ( -2.192 1.005 6.352) 6.794 4.191 ( 4.312 -5.486 -0.399) 6.989 4.307 ( -2.260 -1.524 -1.650) 3.187 4.355 ( -1.167 -2.358 -6.741) 7.236 4.450 ( 1.751 2.960 5.707) 6.663 4.493 ( 9.098 1.367 6.537) 11.286 4.635 ( -2.969 8.237 -8.322) 12.080 4.800 ( -10.830 -3.988 -13.756) 17.956 5.029 ( 6.312 2.688 0.658) 6.892 5.105 ( -3.758 6.867 -3.958) 8.772 5.203 ( -0.661 1.590 1.092) 2.039 5.275 ( -3.399 2.097 -4.677) 6.150 5.490 ( 3.097 -0.726 0.959) 3.322 5.563 ( -3.498 -0.186 -4.417) 5.637 5.736 ( 2.077 -1.692 6.468) 7.000 5.833 ( 2.231 -5.376 1.500) 6.011 5.987 ( 3.290 -1.884 6.460) 7.490 6.091 ( 4.377 0.622 -2.201) 4.939 6.135 ( 2.700 5.272 -0.551) 5.949 6.212 ( -5.600 -3.948 -5.009) 8.487 6.459 ( 5.564 -0.610 2.962) 6.332 6.534 ( 3.355 -1.756 4.266) 5.704 6.593 ( 0.423 1.734 -4.191) 4.555 6.784 ( -10.166 -5.972 -7.932) 14.210 6.964 ( -5.295 0.280 -1.552) 5.525 7.023 ( -1.358 0.988 -1.209) 2.069 7.116 ( -0.305 -5.328 7.767) 9.424 7.191 ( 2.338 1.257 2.079) 3.371 7.321 ( 1.324 3.941 -2.893) 5.065 7.517 ( -4.872 0.533 -13.749) 14.597 7.760 ( -2.363 -4.610 4.158) 6.643 7.817 ( 4.881 -8.141 -0.418) 9.501 7.987 ( 4.033 -0.558 2.220) 4.637 8.014 ( 3.039 -2.190 0.989) 3.874 8.398 ( 1.410 -5.462 2.643) 6.230 8.506 ( -7.415 -4.976 -4.878) 10.175 8.689 ( -0.060 3.209 6.955) 7.660 8.825 ( -4.274 6.607 -5.719) 9.727 9.010 ( 10.220 -2.687 1.241) 10.640 9.090 ( -7.829 4.072 -3.559) 9.516 9.202 ( -1.540 -5.973 -0.672) 6.205 9.227 ( 3.199 0.713 -2.894) 4.372 9.572 ( 2.301 2.200 3.683) 4.868 9.652 ( -1.151 -1.859 -0.821) 2.336 9.696 ( 1.285 3.222 4.157) 5.414 9.876 ( -3.292 -0.714 -6.107) 6.974 10.086 ( 4.242 -7.029 6.160) 10.264 10.179 ( -1.707 -0.130 -2.991) 3.447 10.266 ( 0.530 3.215 6.722) 7.470 10.444 ( -1.862 4.235 -7.983) 9.227 10.651 ( -4.361 -8.780 4.247) 10.684 10.708 ( 3.183 -7.620 -1.272) 8.355 11.012 ( -1.422 0.818 7.099) 7.286 11.124 ( 0.793 -0.146 -2.217) 2.358 11.334 ( -0.262 -2.140 5.939) 6.318 11.432 ( 2.713 -1.262 -3.146) 4.342 11.592 ( 3.598 -0.200 0.783) 3.687 11.659 ( -4.824 -0.962 -4.439) 6.626 11.960 ( -1.374 3.467 2.354) 4.410 12.031 ( -0.877 3.611 -4.331) 5.707 12.316 ( 3.131 -2.797 4.957) 6.496 12.418 ( -2.557 1.062 -3.977) 4.846 12.455 ( 2.952 1.346 1.925) 3.772 12.533 ( -1.471 3.204 -5.379) 6.431 12.826 ( 3.093 -1.276 4.816) 5.864 12.932 ( -4.422 2.485 -4.834) 7.006 13.205 ( 4.036 -2.170 1.594) 4.852 13.232 ( -2.698 -3.776 -0.734) 4.698 13.504 ( -1.310 -0.925 2.719) 3.157 13.526 ( 2.125 -2.999 1.313) 3.903 13.586 ( 5.303 2.255 3.262) 6.622 13.668 ( -5.806 1.493 -3.262) 6.825 14.241 ( 3.707 3.516 7.365) 8.963 14.334 ( -3.668 -0.099 -0.811) 3.758 14.505 ( 3.109 1.424 1.942) 3.933 14.598 ( -4.814 1.705 -6.675) 8.405 15.001 ( 2.350 2.963 3.718) 5.304 15.114 ( -2.043 4.019 -5.430) 7.058 15.276 ( -2.952 -1.130 0.553) 3.209 15.299 ( 4.312 0.563 -1.165) 4.502 15.512 ( 1.472 1.600 6.727) 7.070 15.614 ( 0.243 5.637 -3.188) 6.481 15.825 ( -4.640 0.093 -0.280) 4.650 15.900 ( 6.356 -3.015 -7.810) 10.511 16.350 ( 2.392 -0.966 5.859) 6.402 16.519 ( -7.895 -3.816 -8.839) 12.451 16.654 ( 1.904 -0.013 3.604) 4.076 16.738 ( -4.802 0.942 -4.343) 6.543 17.163 ( 7.853 -1.401 7.545) 10.980 17.259 ( -2.365 1.881 -2.239) 3.761 17.515 ( 3.697 -2.382 5.351) 6.927 17.618 ( -0.592 5.270 0.245) 5.309 17.692 ( -0.211 3.952 -0.228) 3.964 17.837 ( -9.329 -0.094 -11.334) 14.680 18.016 ( 1.221 -1.825 2.223) 3.124 18.075 ( -2.202 0.506 -1.262) 2.588 18.311 ( 0.002 -3.702 5.632) 6.740 18.449 ( -0.671 -3.188 -6.500) 7.270 18.785 ( 6.203 -3.765 4.950) 8.784 18.931 ( -6.941 -0.166 -7.305) 10.078 19.108 ( 2.145 4.504 2.071) 5.401 19.189 ( -3.680 5.886 -4.763) 8.419 19.257 ( 13.097 0.391 14.384) 19.457 19.490 ( -4.411 -0.515 -7.126) 8.397 19.669 ( 1.877 -3.127 7.154) 8.030 19.805 ( 0.201 -2.402 -2.086) 3.187 19.851 ( -1.210 -0.668 1.050) 1.736 19.879 ( 1.017 -0.154 -3.061) 3.229 20.013 ( 3.411 -2.656 5.944) 7.350 20.102 ( -3.690 -0.799 -0.404) 3.797 20.447 ( 13.588 1.920 12.266) 18.406 20.686 ( -5.450 -3.895 -8.235) 10.615 20.898 ( 6.284 8.027 9.405) 13.869 21.207 ( -13.562 13.959 -16.218) 25.334 21.792 ( 13.868 -2.224 15.367) 20.818 22.049 ( -6.002 0.206 -6.704) 9.001 22.207 ( 3.807 -1.036 4.051) 5.655 22.268 ( -2.685 -2.530 -0.817) 3.779 22.324 ( 1.755 -3.249 3.113) 4.830 22.389 ( -0.334 -1.183 -1.404) 1.866 22.519 ( -3.077 3.038 -2.299) 4.897 22.578 ( -6.502 -0.225 -7.333) 9.803 22.827 ( 0.819 -2.563 4.644) 5.367 23.054 ( -13.821 -7.066 -16.548) 22.689 24.201 ( 15.905 7.151 19.037) 25.817 24.568 ( -10.565 6.302 -14.514) 19.026 24.999 ( 2.037 0.538 2.162) 3.019 25.052 ( -2.837 -0.139 -2.628) 3.870 25.482 ( 1.992 2.437 5.976) 6.754 25.526 ( 3.609 2.550 0.789) 4.489 25.927 ( 10.220 -9.327 18.852) 23.385 26.320 ( -3.998 -13.200 -13.741) 19.469 26.566 ( -3.950 -2.405 0.960) 4.723 26.662 ( -4.458 6.346 -9.314) 12.120 26.974 ( 2.503 -0.228 9.674) 9.995 27.158 ( 0.660 2.792 -6.571) 7.170 27.401 ( 1.306 -2.499 0.443) 2.854 27.428 ( -0.882 -3.237 -3.252) 4.672 27.766 ( -2.888 -0.089 0.204) 2.896 27.811 ( -1.707 2.241 -3.772) 4.708 28.150 ( -0.169 -0.525 1.862) 1.942 28.205 ( -0.697 1.731 -2.676) 3.262 28.327 ( 1.620 0.533 0.687) 1.838 28.354 ( -2.367 0.919 -1.340) 2.871 28.745 ( 10.656 -0.577 11.313) 15.552 28.790 ( 3.966 0.537 2.218) 4.575 28.844 ( -5.539 -0.024 -2.662) 6.146 28.952 ( -2.797 0.067 -6.529) 7.103 29.212 ( 8.243 2.242 7.457) 11.340 29.424 ( -11.921 -0.332 -10.370) 15.804 29.588 ( 23.597 -6.598 7.477) 25.618 29.722 ( -10.718 -0.456 -6.396) 12.489 29.937 ( -0.924 -2.253 3.641) 4.380 29.993 ( 16.734 -1.309 4.025) 17.261 30.073 ( -3.060 1.126 -7.198) 7.902 30.149 ( -18.403 -3.997 -8.641) 20.720 31.154 ( 13.465 3.155 6.389) 15.234 31.305 ( -8.603 -3.116 -5.941) 10.910 31.651 ( 7.581 5.650 6.654) 11.561 31.783 ( -4.652 0.286 -3.370) 5.751 31.999 ( 2.082 6.283 2.227) 6.983 32.048 ( -2.792 3.836 -2.546) 5.384 32.365 ( 4.284 0.041 8.970) 9.941 32.498 ( -3.716 -1.284 -2.152) 4.482 32.820 ( 3.630 -0.645 8.488) 9.254 32.998 ( -3.321 -4.598 -5.999) 8.256 33.102 ( -2.952 -2.646 0.712) 4.027 33.155 ( 1.641 -0.259 -4.452) 4.752 33.377 ( -5.612 -9.737 5.846) 12.668 33.502 ( 3.552 -6.433 -5.949) 9.455 34.155 ( 11.892 9.138 10.916) 18.550 34.354 ( -20.447 6.582 -6.846) 22.545 38.502 ( 1.373 -5.304 1.641) 5.719 38.555 ( -0.979 -5.103 -3.275) 6.142 38.836 ( -3.885 -2.457 4.873) 6.699 39.004 ( 5.520 -1.009 -10.545) 11.945 39.551 ( 1.101 10.569 3.987) 11.349 39.650 ( -2.220 7.565 -4.826) 9.244 40.120 ( -11.565 9.824 3.425) 15.556 40.159 ( 8.169 7.290 -0.110) 10.949 41.612 ( -0.802 -5.734 5.471) 7.966 41.719 ( 1.447 -5.566 -3.897) 6.947 41.978 ( -4.729 6.725 6.823) 10.684 42.113 ( 11.198 5.782 -5.327) 13.682 42.547 ( 2.389 -0.532 1.233) 2.740 42.595 ( -1.928 -0.895 -2.721) 3.453 43.756 ( -0.559 -18.017 5.973) 18.990 43.834 ( -0.762 -11.623 -2.298) 11.872 ======================= Grid point 128 (62/84) ======================= q-point: ( 0.12 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -19.904 10.677 -29.746) 37.349 1.918 ( 1.071 8.667 -9.295) 12.754 1.930 ( 2.114 1.676 8.280) 8.709 2.237 ( 8.119 4.223 12.101) 15.172 2.615 ( -1.668 1.070 8.429) 8.659 2.741 ( 5.938 -0.387 -5.893) 8.374 2.915 ( -8.516 -0.796 1.240) 8.642 3.015 ( -7.164 -2.202 1.366) 7.618 3.143 ( -3.185 -1.931 3.169) 4.891 3.249 ( 6.649 -4.157 -2.668) 8.283 3.370 ( -1.044 -2.767 -3.845) 4.850 3.473 ( -2.111 0.858 1.828) 2.922 3.566 ( -3.728 4.684 6.425) 8.782 3.583 ( -0.210 2.139 -0.914) 2.336 3.667 ( -2.082 5.189 1.790) 5.871 3.756 ( 5.855 3.182 -8.656) 10.924 4.105 ( -3.549 -3.933 2.766) 5.976 4.185 ( 3.429 0.403 -8.519) 9.192 4.281 ( -2.241 -1.747 3.913) 4.835 4.324 ( 0.370 -3.995 1.953) 4.462 4.459 ( -2.242 7.833 -2.937) 8.661 4.481 ( -4.445 4.762 -11.094) 12.865 4.653 ( 7.983 6.673 3.300) 10.916 4.829 ( 9.225 -5.402 9.852) 14.537 4.953 ( -2.413 4.281 4.112) 6.408 5.142 ( 3.486 5.205 1.046) 6.351 5.232 ( 1.375 2.440 0.941) 2.955 5.313 ( 6.880 2.175 3.633) 8.078 5.467 ( -1.368 -3.490 -3.871) 5.389 5.599 ( 5.755 1.280 4.713) 7.548 5.734 ( -5.275 -1.373 -6.415) 8.418 5.843 ( 1.682 -4.249 -0.486) 4.595 6.040 ( 0.267 0.451 -8.251) 8.268 6.057 ( -0.833 4.070 -2.402) 4.798 6.108 ( 3.140 -0.710 1.291) 3.469 6.237 ( 2.280 -3.001 4.093) 5.564 6.397 ( -13.910 -1.204 -6.665) 15.472 6.446 ( -1.293 -1.795 -1.081) 2.462 6.654 ( 8.200 1.588 5.786) 10.161 6.803 ( -0.617 -2.954 3.557) 4.665 6.968 ( 0.196 -4.322 6.219) 7.576 6.997 ( -2.190 2.705 2.806) 4.471 7.140 ( -5.804 -5.328 -3.231) 8.515 7.176 ( -2.244 -3.418 -4.927) 6.403 7.330 ( 4.605 4.484 -0.082) 6.428 7.507 ( 7.358 -0.121 11.254) 13.447 7.705 ( -6.757 -8.686 -1.332) 11.085 7.821 ( -0.740 2.847 -2.780) 4.048 7.905 ( -4.026 3.243 -1.171) 5.301 8.041 ( -2.506 -2.496 -7.722) 8.494 8.375 ( -0.979 -13.025 3.141) 13.434 8.551 ( 3.144 -2.610 3.910) 5.655 8.711 ( -4.434 8.509 1.240) 9.674 8.805 ( 0.497 -0.849 1.754) 2.011 8.903 ( -4.325 3.511 -2.264) 6.014 9.117 ( -6.230 -0.630 -0.417) 6.276 9.173 ( 6.286 -5.891 3.359) 9.246 9.265 ( 3.319 -0.822 -2.238) 4.087 9.566 ( -1.783 6.658 -1.868) 7.141 9.675 ( 3.875 0.075 2.328) 4.521 9.764 ( 3.105 1.561 -7.620) 8.375 9.891 ( 7.285 -3.295 8.639) 11.771 10.039 ( -8.352 -3.375 -3.738) 9.752 10.163 ( -0.341 -1.211 0.616) 1.401 10.317 ( -1.532 1.578 -5.994) 6.385 10.400 ( 1.966 3.372 7.548) 8.498 10.648 ( -2.555 -7.302 1.988) 7.987 10.783 ( 8.703 -7.480 -1.106) 11.529 11.028 ( -5.608 -0.660 2.582) 6.209 11.076 ( -1.446 0.451 -2.839) 3.218 11.328 ( -5.095 0.184 -0.636) 5.137 11.394 ( -2.225 1.512 -2.054) 3.385 11.542 ( -5.229 2.725 -2.440) 6.381 11.689 ( 4.225 -3.747 2.974) 6.382 11.906 ( -5.766 0.595 1.627) 6.021 12.048 ( 2.724 5.338 1.994) 6.315 12.299 ( -2.817 1.058 -2.617) 3.988 12.367 ( -3.528 0.022 -1.315) 3.765 12.500 ( 2.866 1.331 0.461) 3.193 12.555 ( 5.156 0.665 1.036) 5.301 12.821 ( -1.938 1.377 -2.617) 3.536 12.953 ( 3.946 -1.250 4.651) 6.226 13.153 ( -5.224 -5.960 -2.694) 8.371 13.258 ( 1.671 -0.863 0.759) 2.028 13.428 ( -7.044 -4.739 -0.277) 8.494 13.513 ( -4.841 0.002 -2.000) 5.238 13.636 ( 5.551 3.028 -2.705) 6.877 13.746 ( 8.492 1.676 3.880) 9.485 14.248 ( -3.183 0.526 -4.780) 5.767 14.371 ( 3.833 3.959 3.276) 6.411 14.495 ( -0.331 -1.405 -2.143) 2.584 14.614 ( 5.038 2.822 5.907) 8.261 14.997 ( -3.259 1.161 -5.199) 6.244 15.102 ( 2.541 4.275 5.598) 7.488 15.232 ( -3.201 0.234 0.362) 3.230 15.332 ( 1.253 0.276 -4.081) 4.278 15.536 ( -1.301 5.663 -4.598) 7.410 15.580 ( -1.848 3.361 4.612) 5.998 15.754 ( -4.347 1.291 1.389) 4.743 15.919 ( 4.106 -4.637 -3.609) 7.168 16.367 ( -0.715 -1.455 -3.141) 3.535 16.543 ( 6.835 -4.223 10.117) 12.918 16.667 ( 0.200 -1.367 -2.272) 2.659 16.777 ( 6.812 0.942 6.278) 9.312 17.114 ( -7.389 1.270 -7.573) 10.656 17.272 ( 1.272 -0.499 0.717) 1.543 17.516 ( -2.098 0.948 -3.608) 4.280 17.638 ( 1.657 2.226 0.166) 2.780 17.696 ( 0.325 1.998 -0.588) 2.108 17.867 ( 7.271 3.669 9.516) 12.526 18.052 ( 6.974 -4.371 3.152) 8.814 18.114 ( 4.246 0.357 1.315) 4.459 18.357 ( -0.328 -3.722 -3.765) 5.304 18.418 ( 2.600 -5.034 5.011) 7.564 18.727 ( -7.276 0.367 -5.393) 9.065 18.969 ( 6.148 -3.123 6.299) 9.339 19.084 ( -3.555 3.781 -1.871) 5.517 19.193 ( -1.566 4.861 -0.722) 5.158 19.214 ( -7.507 1.744 -11.094) 13.509 19.493 ( 3.200 -1.284 4.745) 5.865 19.680 ( -7.147 -4.124 -7.875) 11.406 19.781 ( 0.958 -1.091 2.985) 3.319 19.814 ( -4.777 -1.045 -0.492) 4.915 19.866 ( -4.217 -2.612 -2.147) 5.405 19.953 ( -0.877 1.453 1.528) 2.284 20.191 ( 2.776 -3.178 -3.248) 5.325 20.373 ( -8.527 4.472 -7.290) 12.077 20.688 ( 1.314 -1.293 1.704) 2.510 20.901 ( -3.536 5.771 -6.853) 9.632 21.265 ( 14.286 11.873 16.190) 24.641 21.719 ( -14.636 -2.801 -14.617) 20.873 22.080 ( 4.819 0.334 3.967) 6.250 22.188 ( -2.852 -0.552 -2.795) 4.032 22.296 ( 2.218 -2.607 1.021) 3.572 22.320 ( -1.652 -3.908 -1.450) 4.484 22.387 ( 0.580 0.102 -0.047) 0.591 22.545 ( 3.161 2.795 2.325) 4.818 22.614 ( 9.880 0.091 11.216) 14.947 22.881 ( 3.085 -2.178 -3.056) 4.858 23.138 ( 20.332 -7.005 21.228) 30.217 24.144 ( -16.452 7.529 -20.722) 27.509 24.598 ( 10.364 5.425 12.510) 17.127 24.981 ( -2.533 0.413 -1.697) 3.077 25.054 ( 0.600 -0.539 2.814) 2.927 25.468 ( -9.159 0.720 -6.948) 11.518 25.510 ( -0.758 4.339 -4.432) 6.249 25.933 ( -8.365 -5.013 -13.649) 16.775 26.193 ( -6.192 -11.303 8.498) 15.438 26.614 ( 5.377 -0.319 7.104) 8.915 26.690 ( 6.910 -2.268 3.799) 8.205 26.991 ( -4.264 -1.011 -4.805) 6.503 27.131 ( 1.087 3.848 0.374) 4.016 27.386 ( 1.125 -3.477 -0.046) 3.654 27.463 ( 4.228 -0.659 0.661) 4.330 27.761 ( 0.071 1.884 3.276) 3.779 27.851 ( 5.684 -0.372 2.545) 6.239 28.150 ( -1.526 0.089 -0.095) 1.532 28.198 ( 1.101 -0.468 1.471) 1.896 28.310 ( -1.284 2.672 -0.545) 3.014 28.375 ( 2.131 -0.652 1.376) 2.619 28.691 ( -11.732 -1.017 -14.258) 18.492 28.753 ( -3.370 0.177 -1.250) 3.599 28.889 ( 3.395 -1.043 3.484) 4.975 28.961 ( 4.159 2.062 2.637) 5.339 29.151 ( -6.592 3.079 -3.967) 8.287 29.257 ( -27.281 -3.403 -12.638) 30.258 29.490 ( 8.857 1.272 9.454) 13.017 29.803 ( 4.545 0.608 1.733) 4.902 29.879 ( -4.920 -0.241 -3.833) 6.241 29.982 ( 0.080 -0.062 -2.221) 2.224 30.073 ( 7.181 -0.480 10.979) 13.128 30.460 ( 24.995 -9.563 -0.649) 26.770 31.028 ( -12.333 2.860 -7.649) 14.792 31.342 ( -1.012 -5.858 -2.000) 6.272 31.659 ( 4.818 8.161 -0.020) 9.477 31.822 ( 2.135 -0.076 -0.634) 2.228 31.988 ( 1.047 7.451 1.347) 7.644 32.086 ( 3.150 0.421 0.362) 3.199 32.382 ( -1.771 0.784 -5.230) 5.577 32.514 ( 1.228 -2.235 2.490) 3.564 32.839 ( -3.060 0.433 -6.403) 7.110 32.971 ( 0.403 -5.978 5.223) 7.948 33.091 ( -0.942 -0.594 5.908) 6.012 33.145 ( 1.435 -1.599 -2.491) 3.289 33.387 ( -3.231 -5.857 6.535) 9.351 33.511 ( 5.348 -8.700 -4.019) 10.974 34.025 ( -13.202 15.366 -3.628) 20.581 34.546 ( 16.969 -0.026 12.843) 21.281 38.472 ( -3.231 -4.875 -1.125) 5.956 38.571 ( 2.707 -5.362 0.731) 6.051 38.834 ( -5.505 0.597 5.781) 8.005 38.970 ( 4.880 -5.236 -6.863) 9.916 39.553 ( -2.534 5.932 -2.434) 6.895 39.642 ( 2.246 10.553 3.893) 11.470 40.007 ( -9.552 9.095 3.289) 13.594 40.282 ( 8.020 8.379 0.252) 11.601 41.634 ( -3.252 -6.743 1.265) 7.592 41.685 ( 0.754 -5.024 -2.843) 5.822 41.962 ( -4.169 8.614 1.700) 9.719 42.174 ( 10.308 4.018 -9.416) 14.528 42.536 ( -1.148 -0.329 -2.504) 2.774 42.613 ( 3.333 -0.754 1.958) 3.938 43.709 ( -9.885 -13.219 -0.889) 16.530 43.766 ( -7.555 -12.188 2.403) 14.540 ======================= Grid point 129 (63/84) ======================= q-point: ( 0.25 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -3.544 23.961 -18.045) 30.205 1.780 ( 9.111 6.033 -16.652) 19.917 2.060 ( 5.030 0.309 1.894) 5.383 2.411 ( 4.385 0.407 0.835) 4.482 2.650 ( -8.557 -3.621 -0.945) 9.340 2.729 ( 1.772 -1.138 -1.552) 2.617 2.849 ( -5.057 2.228 6.934) 8.867 2.896 ( -5.687 -2.308 -4.831) 7.811 3.126 ( 0.861 -3.434 3.699) 5.120 3.234 ( 0.018 -2.752 -16.393) 16.622 3.320 ( 0.552 -0.576 -2.780) 2.892 3.408 ( -4.775 -0.725 1.887) 5.185 3.524 ( -0.066 4.430 -1.952) 4.841 3.630 ( -4.029 3.505 3.141) 6.195 3.654 ( -3.357 1.746 3.129) 4.910 3.721 ( -0.482 2.752 -5.786) 6.426 4.034 ( -3.816 -7.484 -0.519) 8.416 4.122 ( 0.528 4.771 -7.372) 8.797 4.264 ( 1.668 -1.205 -2.277) 3.069 4.361 ( -2.319 -5.483 10.765) 12.302 4.463 ( 4.357 3.967 1.411) 6.059 4.528 ( 5.979 8.739 6.342) 12.343 4.759 ( 0.556 0.977 -0.817) 1.390 4.822 ( -3.068 4.024 2.935) 5.850 5.146 ( 0.443 -2.969 -0.258) 3.013 5.185 ( 5.975 1.982 1.180) 6.405 5.268 ( -2.084 5.198 2.531) 6.146 5.358 ( 3.466 -5.784 -4.536) 8.126 5.585 ( 11.293 4.003 8.745) 14.833 5.633 ( 0.820 3.407 2.614) 4.371 5.776 ( -2.625 3.655 -10.604) 11.519 5.787 ( 6.287 0.468 6.261) 8.885 5.956 ( 2.532 4.570 -0.743) 5.277 6.062 ( 3.245 1.067 -3.470) 4.869 6.092 ( 1.139 0.453 -7.229) 7.332 6.214 ( 0.598 -4.248 1.168) 4.446 6.376 ( -1.701 -4.463 4.441) 6.522 6.497 ( 3.892 -6.407 3.319) 8.198 6.657 ( -14.632 -0.034 -8.779) 17.064 6.749 ( -6.455 -3.043 2.088) 7.436 6.809 ( -6.480 -0.759 5.161) 8.319 7.020 ( -10.857 -7.048 6.182) 14.345 7.106 ( 0.806 1.747 -0.713) 2.052 7.200 ( 6.226 -3.746 4.843) 8.732 7.423 ( 0.125 -5.035 0.101) 5.037 7.643 ( 1.295 -4.894 1.337) 5.236 7.671 ( -0.550 -0.866 3.470) 3.618 7.821 ( -1.183 12.353 -2.671) 12.694 7.880 ( 2.583 -10.286 -2.220) 10.836 7.919 ( 1.788 3.806 -1.369) 4.422 8.358 ( -6.239 -16.943 0.664) 18.068 8.534 ( -2.878 -2.509 -0.554) 3.859 8.595 ( -7.049 9.507 -1.454) 11.924 8.882 ( 6.457 -2.998 3.033) 7.738 8.967 ( 1.183 7.777 5.684) 9.705 9.001 ( -7.244 0.070 -0.484) 7.261 9.259 ( 0.408 -10.643 1.929) 10.824 9.347 ( 7.943 -2.876 5.685) 10.183 9.563 ( 1.701 9.228 0.770) 9.415 9.699 ( 5.201 -2.035 -4.395) 7.107 9.792 ( -1.022 6.444 -3.372) 7.344 9.897 ( 0.066 -0.346 1.090) 1.145 10.058 ( 4.382 -1.101 0.868) 4.601 10.149 ( -1.126 0.745 -0.357) 1.397 10.283 ( 0.273 2.798 3.530) 4.513 10.504 ( 0.829 2.585 5.106) 5.783 10.595 ( -5.333 -8.379 -0.895) 9.972 10.862 ( 5.723 -1.936 -5.547) 8.202 10.948 ( -3.023 -1.718 -2.884) 4.517 11.031 ( -3.879 3.310 1.238) 5.247 11.169 ( -4.371 4.166 -10.398) 12.024 11.355 ( -3.274 1.936 0.383) 3.823 11.412 ( -8.570 4.901 -1.134) 9.937 11.751 ( -1.011 -4.574 1.218) 4.840 11.875 ( -3.018 -2.780 3.866) 5.637 12.117 ( 1.149 7.640 0.361) 7.735 12.239 ( 1.294 0.217 -1.997) 2.390 12.344 ( 1.058 -1.306 3.779) 4.136 12.548 ( 0.211 2.936 2.744) 4.024 12.610 ( 1.064 -2.467 0.734) 2.785 12.815 ( 2.931 -0.383 -0.588) 3.014 13.013 ( -5.341 -4.919 -0.859) 7.312 13.060 ( 1.132 -3.336 0.775) 3.607 13.273 ( -1.456 -3.482 -1.246) 3.974 13.327 ( -2.788 -1.037 -0.573) 3.030 13.435 ( -3.892 0.092 0.076) 3.894 13.675 ( 5.560 5.658 -3.994) 8.881 13.888 ( 5.839 1.823 0.557) 6.143 14.137 ( -1.275 0.939 -6.222) 6.421 14.447 ( 2.963 4.245 -0.314) 5.186 14.504 ( 2.938 -6.119 -0.191) 6.791 14.770 ( 3.791 0.616 2.829) 4.770 14.902 ( -1.142 2.695 0.932) 3.072 15.147 ( -1.840 8.986 -3.998) 10.006 15.201 ( -5.588 -4.801 -3.623) 8.210 15.289 ( 1.156 1.540 11.851) 12.006 15.524 ( 3.118 2.835 -2.241) 4.772 15.608 ( 1.248 0.907 2.601) 3.024 15.757 ( -2.671 5.006 7.343) 9.280 15.891 ( -1.087 -2.667 -3.548) 4.569 16.389 ( 3.091 -1.053 -0.242) 3.274 16.625 ( -2.007 -8.442 0.197) 8.680 16.736 ( 4.969 -3.412 3.071) 6.765 16.881 ( -3.297 -4.843 -5.478) 8.020 17.002 ( 5.562 4.543 -0.747) 7.221 17.322 ( 2.251 6.504 3.573) 7.754 17.462 ( -1.296 1.732 -3.614) 4.212 17.619 ( -1.046 3.637 -0.994) 3.912 17.707 ( 3.139 -0.501 -0.922) 3.309 18.055 ( 7.613 4.262 6.475) 10.865 18.138 ( 3.452 -1.385 -0.152) 3.723 18.303 ( 2.722 -3.961 -2.495) 5.415 18.344 ( 3.380 -1.918 3.802) 5.437 18.553 ( 0.005 -1.445 2.705) 3.067 18.598 ( -3.524 0.715 -1.780) 4.012 18.852 ( 3.212 -8.038 2.803) 9.098 19.072 ( -0.414 -0.057 1.867) 1.913 19.151 ( 1.372 0.507 0.121) 1.467 19.223 ( -5.229 -0.928 -3.206) 6.204 19.394 ( -12.534 0.817 -6.860) 14.312 19.466 ( -10.692 -2.441 -8.063) 13.612 19.581 ( -2.243 0.512 -2.670) 3.524 19.779 ( -1.849 -2.912 -2.634) 4.340 19.840 ( 2.069 -0.698 3.699) 4.295 20.021 ( 3.639 0.041 -0.944) 3.760 20.075 ( -0.766 8.188 -2.867) 8.709 20.458 ( 2.747 5.777 1.206) 6.510 20.598 ( -3.698 0.391 0.281) 3.729 20.911 ( 1.927 -3.398 3.191) 5.044 21.392 ( -7.066 -3.286 -7.793) 11.021 21.560 ( 4.054 5.981 5.362) 8.998 22.088 ( -0.276 -1.376 -1.319) 1.926 22.175 ( 1.610 2.738 -0.303) 3.190 22.251 ( 0.147 -4.446 -3.465) 5.639 22.363 ( 0.588 -2.661 1.782) 3.256 22.417 ( 1.723 1.942 1.677) 3.091 22.583 ( 1.814 1.426 -0.027) 2.308 22.827 ( 5.000 -5.265 -2.388) 7.643 23.132 ( 16.341 4.242 15.716) 23.066 23.613 ( -15.883 9.011 -18.547) 26.028 23.798 ( 21.960 -8.837 19.474) 30.653 24.714 ( -8.718 -3.409 -6.718) 11.522 24.934 ( -4.115 -0.514 -2.876) 5.047 24.990 ( -8.785 8.622 -8.485) 14.950 25.083 ( -2.062 0.248 1.440) 2.527 25.540 ( 4.612 5.787 0.838) 7.448 25.901 ( 4.512 -3.476 2.809) 6.351 26.131 ( -10.509 -2.473 7.615) 13.211 26.637 ( -1.655 -14.490 -5.970) 15.758 26.834 ( -0.117 -7.703 2.456) 8.086 26.992 ( 5.416 3.881 7.245) 9.843 27.131 ( -2.536 9.765 1.035) 10.142 27.400 ( 2.719 -0.035 -1.933) 3.336 27.568 ( 5.500 -0.958 2.867) 6.276 27.791 ( -0.956 -1.420 1.022) 1.993 27.965 ( 3.908 2.771 2.115) 5.237 28.142 ( -0.371 0.444 -0.652) 0.871 28.230 ( -1.011 1.661 2.161) 2.907 28.299 ( -0.242 0.885 -0.493) 1.042 28.370 ( -0.536 0.106 -3.094) 3.141 28.441 ( -1.838 -0.405 -3.464) 3.942 28.660 ( -8.908 -11.464 -2.947) 14.814 28.805 ( -4.014 2.940 -0.787) 5.038 28.946 ( -2.868 -0.313 -1.589) 3.294 29.016 ( 1.147 2.591 1.033) 3.016 29.170 ( 3.741 5.690 2.542) 7.269 29.583 ( -0.173 1.628 -0.089) 1.639 29.812 ( 0.140 0.329 -0.854) 0.926 29.913 ( 1.196 -1.167 1.242) 2.082 29.972 ( 2.572 0.578 0.532) 2.689 30.388 ( 4.374 1.316 9.388) 10.440 30.600 ( 6.931 -0.729 0.742) 7.008 30.781 ( -10.979 2.895 -4.341) 12.156 31.239 ( 1.610 -4.397 -4.686) 6.625 31.748 ( -1.175 0.520 -6.229) 6.360 31.895 ( 12.562 4.405 5.170) 14.280 32.002 ( 1.376 3.223 -4.276) 5.529 32.138 ( 4.535 -5.302 0.821) 7.025 32.355 ( 2.063 0.684 -2.352) 3.203 32.392 ( -7.877 -0.469 -7.559) 10.928 32.799 ( 0.709 -1.784 -2.617) 3.246 32.968 ( -2.383 -3.111 0.433) 3.943 33.129 ( 0.455 -2.320 -1.407) 2.751 33.209 ( 1.168 -1.751 8.304) 8.566 33.453 ( -0.336 -1.727 8.159) 8.347 33.537 ( 3.535 -6.948 -2.580) 8.211 33.838 ( -6.540 16.116 -4.153) 17.881 34.881 ( 6.537 -11.469 7.865) 15.367 38.424 ( -1.869 -2.563 0.030) 3.172 38.610 ( 0.669 -3.312 1.418) 3.665 38.826 ( -3.990 -0.819 4.324) 5.941 38.966 ( 2.695 -2.905 -3.699) 5.421 39.488 ( -1.288 3.313 -3.078) 4.702 39.719 ( 0.135 7.358 3.819) 8.292 39.930 ( -6.451 9.989 4.229) 12.621 40.378 ( 3.712 8.008 -0.083) 8.827 41.563 ( -4.011 -6.162 -3.275) 8.049 41.653 ( 1.322 -4.798 -3.788) 6.255 41.919 ( -0.874 7.729 -1.942) 8.017 42.198 ( 10.200 4.176 -10.879) 15.487 42.503 ( -0.239 -0.045 -0.753) 0.791 42.681 ( 2.737 -0.984 0.997) 3.075 43.524 ( -8.906 -10.231 -3.172) 13.930 43.665 ( -12.088 -8.638 5.016) 15.681 ======================= Grid point 130 (64/84) ======================= q-point: ( 0.38 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 23.852 16.455 13.593) 32.007 1.811 ( 14.928 7.221 -7.591) 18.237 2.129 ( 2.862 1.290 -2.072) 3.761 2.395 ( -12.896 5.770 -6.378) 15.501 2.466 ( 5.079 -5.333 -3.351) 8.092 2.686 ( -12.819 -5.860 -0.526) 14.105 2.783 ( 3.698 -1.944 0.631) 4.225 2.901 ( -3.254 0.115 0.710) 3.332 2.988 ( 3.949 -3.642 -14.374) 15.345 3.141 ( -11.152 3.312 -2.798) 11.965 3.311 ( -0.461 -2.715 9.931) 10.305 3.415 ( 5.644 0.632 -1.415) 5.853 3.513 ( -6.949 1.502 -2.608) 7.573 3.539 ( 1.198 0.047 -2.777) 3.025 3.602 ( -3.646 -2.831 -3.330) 5.692 3.709 ( 3.811 8.167 2.985) 9.494 3.990 ( -0.622 -3.327 -2.747) 4.359 4.035 ( 2.572 10.647 -8.131) 13.641 4.343 ( 1.040 -10.740 6.656) 12.678 4.427 ( -5.969 -7.266 6.383) 11.365 4.569 ( 5.459 1.623 3.248) 6.556 4.656 ( -2.455 2.065 3.409) 4.681 4.762 ( 7.009 0.941 2.681) 7.563 4.865 ( 0.779 9.617 4.219) 10.531 5.050 ( -3.742 -1.230 -4.883) 6.274 5.240 ( -1.004 3.686 0.287) 3.831 5.277 ( 2.852 8.270 0.246) 8.751 5.440 ( 6.749 0.611 1.228) 6.887 5.553 ( -2.178 -0.688 -7.723) 8.054 5.610 ( -3.364 0.236 -1.390) 3.647 5.800 ( -2.447 -0.430 -9.116) 9.448 5.946 ( -4.183 -4.868 6.935) 9.449 6.000 ( 10.863 -1.867 7.625) 13.403 6.067 ( 2.330 -5.514 -3.987) 7.193 6.143 ( 9.767 6.581 0.199) 11.779 6.238 ( -0.537 -1.734 -4.366) 4.729 6.322 ( 0.612 -2.220 0.756) 2.424 6.475 ( -0.217 0.773 7.765) 7.806 6.587 ( 1.076 -6.512 2.204) 6.958 6.767 ( 0.652 -2.064 4.900) 5.357 6.801 ( -8.452 -4.977 7.189) 12.161 6.889 ( -14.599 -6.428 2.986) 16.229 7.099 ( -0.052 -0.447 -1.958) 2.009 7.232 ( -0.635 -11.774 -5.599) 13.053 7.409 ( 2.067 -4.712 -1.841) 5.465 7.568 ( -11.685 3.255 -3.838) 12.722 7.634 ( -3.450 4.815 -5.502) 8.084 7.794 ( 4.804 4.884 -1.150) 6.946 7.903 ( 3.853 -2.310 0.697) 4.546 7.940 ( -1.298 6.321 0.323) 6.461 8.276 ( -6.348 -12.819 1.550) 14.389 8.530 ( 1.732 -0.416 1.230) 2.164 8.619 ( 3.924 4.072 5.702) 8.031 8.814 ( -1.351 -0.116 -9.086) 9.187 8.992 ( -1.652 -1.111 3.870) 4.352 9.086 ( -0.812 2.339 9.762) 10.071 9.295 ( -1.059 -7.002 3.316) 7.820 9.551 ( 6.559 -0.936 6.789) 9.486 9.636 ( 7.209 6.109 2.094) 9.679 9.696 ( -5.205 4.237 1.336) 6.843 9.760 ( 7.487 -3.685 -3.009) 8.871 9.952 ( 2.355 2.010 -2.176) 3.785 10.097 ( -1.133 3.805 4.496) 5.998 10.136 ( 0.486 -3.492 0.708) 3.596 10.371 ( 1.026 14.126 5.462) 15.180 10.451 ( -6.875 -4.539 -3.300) 8.874 10.550 ( -3.324 -4.670 0.718) 5.777 10.799 ( -3.558 4.394 -7.279) 9.217 10.902 ( 2.822 1.100 -2.259) 3.779 10.976 ( 0.600 2.187 -3.340) 4.037 11.049 ( 1.235 2.667 -5.037) 5.832 11.204 ( -7.116 4.179 -6.328) 10.399 11.376 ( -2.970 2.637 3.758) 5.468 11.684 ( -4.843 -3.221 -4.395) 7.290 11.885 ( -0.489 -1.780 2.332) 2.974 12.067 ( -2.163 5.472 -2.914) 6.566 12.331 ( 4.585 -3.675 4.988) 7.708 12.461 ( 4.443 -1.053 6.142) 7.653 12.596 ( 0.685 6.041 4.543) 7.589 12.600 ( -3.128 -6.085 0.011) 6.842 12.847 ( 1.548 0.161 -0.481) 1.629 12.931 ( -1.251 -4.602 -1.830) 5.108 13.085 ( -0.799 -1.524 1.423) 2.233 13.188 ( -3.229 -4.987 -3.033) 6.671 13.346 ( 2.524 4.483 0.448) 5.164 13.399 ( -2.577 -0.270 1.370) 2.931 13.711 ( 5.130 6.852 -2.676) 8.969 13.901 ( -1.326 1.501 -3.357) 3.908 14.090 ( 3.834 -2.538 -3.751) 5.934 14.400 ( -2.977 -1.019 -6.577) 7.291 14.577 ( 3.588 -3.121 1.800) 5.085 14.716 ( -2.898 0.199 -2.480) 3.820 15.008 ( -0.043 2.679 -0.128) 2.682 15.103 ( 1.971 -1.339 3.549) 4.275 15.112 ( -1.274 -1.090 1.226) 2.077 15.488 ( 0.204 -0.163 4.589) 4.596 15.542 ( 4.986 1.716 7.499) 9.168 15.705 ( 3.686 -0.739 5.146) 6.372 15.830 ( -0.625 5.110 3.137) 6.028 15.861 ( 1.945 1.799 4.501) 5.222 16.373 ( -1.566 0.296 -5.011) 5.258 16.560 ( -5.582 -6.954 -3.252) 9.492 16.714 ( -2.910 -1.668 -6.209) 7.057 16.849 ( 3.595 -4.918 0.525) 6.114 17.036 ( 1.777 6.248 -3.285) 7.280 17.348 ( -2.059 4.542 -0.916) 5.071 17.417 ( 2.370 2.708 -0.961) 3.725 17.635 ( 1.379 1.588 0.938) 2.303 17.717 ( 0.911 -0.793 -2.266) 2.568 18.008 ( -10.152 -3.585 -10.600) 15.109 18.093 ( -0.122 2.357 -2.747) 3.622 18.297 ( -2.212 -2.645 -4.026) 5.300 18.405 ( -1.526 -1.200 -4.466) 4.869 18.552 ( -2.558 -8.063 5.295) 9.980 18.720 ( 10.771 2.219 11.852) 16.168 18.825 ( -3.504 4.518 -5.123) 7.677 19.069 ( -1.039 -3.570 -0.005) 3.718 19.171 ( -4.558 3.220 -2.429) 6.086 19.216 ( 3.806 -1.061 3.835) 5.506 19.347 ( 3.073 -2.017 2.674) 4.546 19.416 ( 10.589 -3.827 15.520) 19.173 19.567 ( 1.288 -1.567 0.589) 2.113 19.746 ( 0.519 -0.249 -0.377) 0.688 19.906 ( -0.132 1.574 1.145) 1.951 20.013 ( -0.092 0.937 -4.977) 5.065 20.097 ( 5.153 4.034 3.978) 7.659 20.294 ( -7.570 7.837 -9.132) 14.217 20.730 ( 4.640 -0.882 8.108) 9.384 20.946 ( -1.576 -5.483 0.420) 5.720 21.352 ( 6.531 -2.475 3.904) 8.001 21.524 ( -7.325 5.104 -6.653) 11.134 22.097 ( 1.785 -1.289 1.077) 2.451 22.195 ( 1.367 1.221 -0.174) 1.842 22.233 ( 1.198 -1.526 -1.647) 2.545 22.351 ( -3.125 -2.903 -1.407) 4.492 22.465 ( 1.757 1.313 1.553) 2.688 22.604 ( 0.386 0.972 -0.684) 1.250 22.764 ( -6.342 -6.617 -12.050) 15.139 23.019 ( -8.465 4.434 -12.311) 15.584 23.640 ( -25.263 -5.893 -28.214) 38.328 23.807 ( 21.160 10.274 20.388) 31.128 24.826 ( 2.118 0.220 4.989) 5.424 24.862 ( 8.224 -1.195 8.729) 12.052 24.959 ( 2.424 0.356 3.378) 4.172 25.061 ( -1.347 1.429 0.542) 2.037 25.626 ( 4.980 3.022 -0.132) 5.827 26.016 ( 2.776 -5.026 5.927) 8.252 26.129 ( -7.070 0.347 12.109) 14.026 26.516 ( -2.220 -9.615 -6.375) 11.748 26.845 ( -2.774 -4.442 -0.880) 5.310 27.055 ( 2.268 7.108 -2.237) 7.789 27.167 ( 1.447 -0.953 8.422) 8.598 27.451 ( 2.562 1.170 1.636) 3.258 27.648 ( 2.028 2.902 0.322) 3.555 27.752 ( -2.699 -5.574 -3.106) 6.928 27.973 ( -3.271 2.608 -4.727) 6.312 28.078 ( -1.111 1.588 -2.202) 2.933 28.193 ( -2.634 1.946 -1.537) 3.618 28.351 ( 0.099 3.494 1.601) 3.844 28.380 ( 0.077 -1.802 -1.269) 2.205 28.445 ( 10.146 -0.285 8.699) 13.367 28.714 ( 5.064 -13.772 8.525) 16.970 28.802 ( -0.698 4.288 2.470) 4.997 28.962 ( 2.697 -0.923 2.788) 3.988 29.042 ( -0.254 0.717 2.265) 2.389 29.187 ( -1.948 4.565 0.811) 5.029 29.564 ( -1.075 1.807 -1.422) 2.538 29.854 ( 2.706 2.952 2.776) 4.872 29.917 ( 0.541 -3.025 0.050) 3.074 29.986 ( -1.453 1.652 -3.802) 4.393 30.163 ( -14.506 4.127 -9.181) 17.657 30.660 ( 0.662 2.676 0.087) 2.758 31.007 ( 13.698 -2.562 13.059) 19.098 31.253 ( 4.904 -1.284 3.973) 6.441 31.671 ( 0.681 -0.473 -6.622) 6.673 31.862 ( -4.326 9.039 -7.153) 12.312 32.119 ( 9.621 -5.835 -1.047) 11.301 32.163 ( -8.416 -0.199 -6.941) 10.911 32.256 ( 7.524 -5.377 1.805) 9.423 32.386 ( 1.461 -2.302 0.257) 2.738 32.744 ( -0.571 -1.614 -4.719) 5.020 32.903 ( -4.876 0.792 -2.852) 5.704 33.140 ( 1.509 -1.140 0.961) 2.121 33.301 ( -0.191 -0.649 4.595) 4.645 33.503 ( 0.401 -3.511 -1.476) 3.830 33.623 ( 0.874 1.077 13.495) 13.566 33.720 ( -2.341 8.483 -4.523) 9.895 34.835 ( -10.197 -14.810 -10.935) 21.045 38.437 ( 0.500 2.155 4.096) 4.655 38.632 ( -0.154 -0.161 1.752) 1.766 38.818 ( -2.798 -3.778 1.973) 5.099 38.936 ( 1.412 0.842 -6.222) 6.436 39.458 ( 0.366 -0.619 0.186) 0.743 39.707 ( -3.151 3.627 -1.508) 5.035 39.946 ( -2.205 10.066 7.731) 12.882 40.352 ( -2.520 5.831 -5.285) 8.263 41.506 ( 1.022 -4.564 -0.088) 4.678 41.651 ( 3.709 -5.379 -2.912) 7.153 41.892 ( -0.089 7.413 -1.240) 7.517 42.190 ( 9.430 5.071 -14.254) 17.827 42.520 ( 0.936 -0.213 2.627) 2.798 42.702 ( 0.263 -0.474 -1.395) 1.497 43.433 ( -0.385 -7.154 -0.034) 7.164 43.549 ( -12.289 -6.403 5.374) 14.862 ======================= Grid point 131 (65/84) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 14.246 13.593 10.421) 22.278 1.894 ( -0.829 9.603 -4.435) 10.610 2.076 ( -17.365 11.319 5.120) 21.351 2.217 ( 8.181 9.320 -5.898) 13.732 2.398 ( -13.680 -8.311 4.362) 16.590 2.567 ( 9.073 -7.806 -5.977) 13.378 2.733 ( -11.172 4.144 -5.472) 13.112 2.779 ( 3.787 -1.008 -11.079) 11.752 3.046 ( 0.502 0.554 3.845) 3.917 3.061 ( 6.051 4.240 1.703) 7.582 3.367 ( -0.223 -8.359 1.493) 8.494 3.412 ( -4.386 -2.050 2.483) 5.441 3.451 ( -0.873 -4.755 -4.745) 6.774 3.494 ( 0.182 -3.393 -3.471) 4.857 3.650 ( 4.882 -1.020 10.745) 11.846 3.848 ( 4.061 4.684 -1.120) 6.300 3.905 ( 1.422 1.308 -4.953) 5.317 3.976 ( 0.432 12.817 -7.864) 15.044 4.368 ( -3.461 -7.294 2.004) 8.319 4.394 ( -0.061 -8.676 0.970) 8.730 4.663 ( 0.242 2.332 3.183) 3.953 4.673 ( -0.649 -0.859 3.662) 3.817 4.885 ( 3.269 1.344 1.120) 3.708 4.897 ( -0.639 -7.652 1.306) 7.789 5.048 ( 4.058 7.542 4.293) 9.580 5.145 ( -6.144 2.551 -4.502) 8.032 5.369 ( 2.516 8.713 7.241) 11.605 5.485 ( 3.790 5.262 -1.195) 6.594 5.512 ( -3.789 -1.889 -4.475) 6.161 5.546 ( -3.289 1.216 -5.503) 6.525 5.710 ( 7.325 -1.959 4.058) 8.600 5.915 ( -6.943 -1.147 -6.685) 9.706 5.960 ( 0.209 -6.688 -1.215) 6.800 6.094 ( 1.503 -0.149 -7.674) 7.821 6.233 ( -0.252 -7.457 9.915) 12.408 6.359 ( 7.869 -0.507 0.720) 7.918 6.440 ( 2.903 -6.118 5.506) 8.728 6.565 ( -1.188 -3.828 -2.961) 4.983 6.628 ( 0.051 -8.713 8.018) 11.841 6.730 ( -2.967 -5.302 1.472) 6.251 6.782 ( -0.229 -3.879 4.783) 6.163 6.871 ( 2.544 -3.880 3.844) 6.026 7.005 ( -8.468 -3.391 -4.414) 10.133 7.088 ( -2.054 -4.627 -9.628) 10.878 7.338 ( -6.063 -0.739 -2.993) 6.802 7.398 ( 3.285 -2.457 -6.361) 7.569 7.664 ( 2.941 6.859 8.909) 11.622 7.845 ( -0.931 6.452 -5.829) 8.745 7.906 ( 0.234 11.885 0.269) 11.890 7.927 ( 2.221 11.163 -0.931) 11.420 8.281 ( 0.400 -9.324 7.064) 11.705 8.478 ( -1.364 -2.985 -9.032) 9.609 8.733 ( -1.911 -0.680 3.957) 4.446 8.781 ( 4.962 -2.069 -0.060) 5.377 9.021 ( -0.458 -1.359 4.962) 5.165 9.110 ( -3.065 -0.714 -1.271) 3.394 9.380 ( 1.606 -0.883 10.833) 10.987 9.579 ( -2.044 -0.602 -5.376) 5.782 9.738 ( 2.190 1.413 5.965) 6.510 9.770 ( -1.255 -1.007 0.377) 1.653 9.817 ( 5.697 1.338 1.764) 6.112 9.886 ( -3.536 0.334 -4.907) 6.058 10.140 ( 1.205 -1.707 5.781) 6.147 10.249 ( 4.028 3.737 4.422) 7.053 10.266 ( -4.011 -0.932 -3.206) 5.219 10.386 ( -5.445 4.352 -2.946) 7.568 10.547 ( 2.086 4.060 4.765) 6.599 10.653 ( -4.945 8.876 -5.656) 11.629 10.938 ( -0.353 1.643 1.660) 2.362 10.989 ( -0.086 1.804 -1.274) 2.210 11.020 ( 2.742 1.819 -4.198) 5.334 11.060 ( 2.124 5.810 -6.009) 8.624 11.413 ( 2.830 -0.582 4.048) 4.974 11.534 ( -4.042 -2.350 -6.936) 8.365 11.935 ( 1.850 0.779 3.144) 3.730 11.997 ( -2.433 1.656 -2.548) 3.893 12.450 ( 2.463 -5.709 3.926) 7.353 12.501 ( -2.855 -4.008 -0.905) 5.004 12.612 ( 1.321 -1.155 4.593) 4.917 12.655 ( -0.028 3.225 1.862) 3.724 12.861 ( 0.459 2.147 1.574) 2.701 12.911 ( 0.671 -0.706 -2.389) 2.580 13.085 ( -0.863 -2.008 0.951) 2.383 13.131 ( 0.651 -2.124 -2.631) 3.444 13.377 ( -1.871 1.046 0.943) 2.342 13.391 ( 2.185 4.320 -0.177) 4.845 13.759 ( 3.271 4.178 0.356) 5.318 13.809 ( -3.613 2.211 -4.000) 5.826 14.147 ( 5.745 -5.034 0.973) 7.700 14.233 ( -6.611 -2.182 -6.809) 9.738 14.634 ( 1.188 -3.129 1.938) 3.867 14.666 ( -1.990 -1.288 -1.075) 2.603 15.001 ( -0.286 2.405 1.593) 2.899 15.060 ( 0.654 -0.135 -3.216) 3.285 15.250 ( 0.822 -6.889 8.456) 10.937 15.425 ( -0.688 -8.513 -7.000) 11.043 15.757 ( -5.954 11.039 6.538) 14.144 15.834 ( 7.148 2.308 7.277) 10.458 15.863 ( 5.821 1.464 6.234) 8.654 16.012 ( 2.559 0.332 3.726) 4.532 16.265 ( 1.341 -0.014 -4.371) 4.572 16.355 ( -9.554 -1.687 -9.095) 13.298 16.692 ( 3.708 -1.685 0.545) 4.109 16.765 ( -6.667 -1.073 -5.827) 8.919 17.118 ( 6.419 4.159 5.515) 9.430 17.257 ( -4.945 2.485 -5.870) 8.067 17.506 ( 5.965 2.267 4.616) 7.876 17.615 ( -1.463 -0.969 -3.786) 4.173 17.723 ( 0.564 -0.711 0.298) 0.955 17.777 ( -7.440 0.505 -5.544) 9.292 18.060 ( 0.490 1.127 -2.750) 3.012 18.087 ( -4.922 -0.241 -5.753) 7.575 18.438 ( 6.009 -6.708 3.072) 9.515 18.498 ( -8.013 -8.497 -1.624) 11.791 18.776 ( 5.070 2.297 5.922) 8.128 18.921 ( -5.568 -0.616 -6.379) 8.490 19.058 ( 4.278 2.193 4.767) 6.770 19.153 ( -4.244 3.022 -3.739) 6.412 19.361 ( 7.087 -1.618 7.168) 10.209 19.468 ( 2.426 -2.994 -1.432) 4.111 19.528 ( 8.213 2.273 10.714) 13.690 19.752 ( -0.304 4.666 1.225) 4.834 19.821 ( -2.620 4.186 -1.630) 5.201 19.847 ( -4.992 -0.099 -5.228) 7.230 19.894 ( 3.348 2.214 4.545) 6.064 20.072 ( -3.108 3.308 -8.175) 9.351 20.447 ( 16.302 -4.863 17.934) 24.719 20.769 ( -7.255 -8.200 -7.147) 13.075 20.979 ( 7.388 2.799 5.472) 9.610 21.177 ( -15.080 7.465 -13.583) 21.624 21.717 ( 19.326 -2.013 18.075) 26.538 22.099 ( -11.260 -0.373 -10.668) 15.515 22.187 ( 0.408 -0.165 0.711) 0.836 22.232 ( -2.044 -1.688 -2.507) 3.649 22.250 ( 3.145 -2.298 0.713) 3.960 22.373 ( -9.944 -2.346 -10.866) 14.915 22.531 ( 1.710 1.308 1.001) 2.374 22.574 ( -3.432 0.562 -2.839) 4.490 22.942 ( 3.624 -1.066 -1.106) 3.936 23.036 ( -13.711 -2.598 -12.337) 18.627 24.337 ( 18.231 8.465 16.020) 25.704 24.610 ( -13.971 7.526 -9.958) 18.734 24.949 ( 1.603 0.046 1.211) 2.010 24.979 ( -2.281 -0.268 -1.377) 2.678 25.405 ( 12.613 -7.405 13.719) 20.054 25.626 ( -1.688 -4.598 -6.836) 8.409 26.134 ( 0.538 -4.171 6.196) 7.488 26.168 ( -2.529 -3.600 6.134) 7.549 26.481 ( 2.015 2.385 3.895) 4.992 26.680 ( -4.723 2.604 -10.349) 11.670 27.209 ( 6.989 -3.360 5.971) 9.787 27.242 ( -2.076 -3.033 3.537) 5.101 27.474 ( 1.047 0.620 1.253) 1.746 27.562 ( -5.330 0.186 -5.914) 7.964 27.761 ( 2.882 -0.782 2.999) 4.232 27.847 ( -3.912 -1.428 -4.887) 6.421 28.077 ( 0.898 2.919 0.940) 3.195 28.129 ( -1.549 3.618 -3.283) 5.125 28.348 ( -1.043 -0.644 -0.333) 1.271 28.353 ( -0.102 1.512 -0.050) 1.516 28.722 ( 3.558 0.630 5.392) 6.491 28.792 ( 0.329 -2.614 -1.645) 3.106 28.954 ( 10.392 -2.104 9.894) 14.502 29.021 ( 0.073 0.584 0.660) 0.884 29.042 ( 3.667 2.414 3.045) 5.343 29.213 ( -4.760 -6.284 -0.489) 7.898 29.521 ( -4.216 6.572 3.269) 8.465 29.680 ( -5.069 3.527 -10.261) 11.976 29.931 ( 1.809 0.403 4.775) 5.122 30.007 ( -3.741 0.501 -2.053) 4.297 30.127 ( 6.687 -1.009 14.816) 16.286 30.590 ( 0.801 -6.994 -19.880) 21.090 31.178 ( 6.944 5.003 6.956) 11.028 31.444 ( -7.570 4.827 -13.795) 16.459 31.632 ( 11.788 -3.632 17.881) 21.723 31.881 ( 3.551 2.650 5.970) 7.434 31.942 ( -8.491 -0.785 -7.505) 11.360 32.118 ( -2.029 -2.480 -9.829) 10.338 32.341 ( 0.509 -4.075 1.093) 4.250 32.386 ( 1.238 -7.318 -3.025) 8.014 32.739 ( 4.343 0.732 0.217) 4.409 32.776 ( -5.389 1.946 -3.256) 6.590 33.193 ( 1.586 1.283 3.389) 3.956 33.290 ( -1.111 3.833 -4.142) 5.752 33.510 ( -2.093 -1.530 5.344) 5.939 33.643 ( 0.758 0.810 -5.707) 5.814 33.883 ( 2.862 -2.409 24.369) 24.654 34.418 ( -13.106 -8.739 -22.513) 27.477 38.528 ( 0.981 6.469 7.439) 9.907 38.649 ( 1.278 4.508 -0.828) 4.758 38.789 ( -3.198 -5.338 0.642) 6.256 38.868 ( 2.496 -1.365 -7.784) 8.287 39.506 ( 0.426 -1.911 5.296) 5.646 39.627 ( -0.898 2.247 -4.872) 5.440 40.032 ( -0.694 7.158 9.315) 11.768 40.223 ( -2.082 4.677 -8.219) 9.683 41.557 ( -0.204 -6.188 4.583) 7.703 41.667 ( 3.174 -6.393 -3.833) 8.102 41.897 ( -0.551 9.352 3.191) 9.897 42.110 ( 6.016 6.740 -16.932) 19.191 42.585 ( 1.750 -0.480 3.997) 4.390 42.662 ( -1.585 0.176 -2.948) 3.351 43.437 ( -10.325 -5.916 5.884) 13.275 43.499 ( 6.348 -5.984 0.069) 8.725 ======================= Grid point 132 (66/84) ======================= q-point: (-0.38 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -21.747 9.869 -14.128) 27.748 1.702 ( -24.896 10.877 2.233) 27.260 1.986 ( -4.187 14.899 11.494) 19.278 2.307 ( 3.595 4.947 1.140) 6.221 2.394 ( -0.968 1.523 2.294) 2.919 2.588 ( -5.645 4.473 5.259) 8.918 2.735 ( 12.061 -6.710 -2.346) 13.999 2.824 ( 2.757 -1.146 -1.869) 3.523 2.971 ( 6.261 3.968 0.808) 7.457 3.169 ( 3.458 2.451 -2.704) 5.027 3.312 ( -7.546 -5.339 3.590) 9.917 3.430 ( 2.683 -2.782 3.332) 5.104 3.478 ( 1.850 -2.920 3.689) 5.056 3.494 ( 4.118 -0.755 1.086) 4.325 3.627 ( -5.319 -0.780 -10.044) 11.392 3.812 ( -2.741 2.949 -0.617) 4.073 3.923 ( 8.438 4.525 -3.731) 10.276 3.985 ( 2.201 7.889 -1.028) 8.254 4.406 ( 1.953 -9.688 1.776) 10.041 4.448 ( 6.068 -6.464 1.916) 9.071 4.663 ( -2.867 -3.068 -1.410) 4.429 4.682 ( -0.082 1.663 0.814) 1.853 4.846 ( -4.855 0.063 -4.277) 6.471 4.928 ( 2.185 -3.484 -0.810) 4.191 5.025 ( -1.967 0.234 -1.244) 2.339 5.181 ( 3.454 6.149 4.344) 8.283 5.354 ( -5.989 6.397 -5.016) 10.097 5.442 ( 0.245 -1.008 -0.623) 1.210 5.521 ( 2.187 1.691 9.893) 10.271 5.539 ( -3.152 5.569 -4.398) 7.765 5.700 ( 1.128 0.271 -7.261) 7.353 5.909 ( 3.916 -7.631 6.774) 10.930 5.979 ( -2.959 -1.187 2.834) 4.266 6.092 ( 5.090 1.331 -1.957) 5.614 6.195 ( -6.763 2.762 -1.319) 7.424 6.329 ( -6.474 -6.682 -9.621) 13.384 6.392 ( -4.145 -3.832 -1.508) 5.842 6.614 ( 3.745 -9.788 -1.056) 10.533 6.653 ( -1.069 -3.504 -7.234) 8.109 6.786 ( 1.538 -4.862 2.807) 5.821 6.841 ( 4.614 -11.232 4.018) 12.790 6.910 ( 6.087 -2.141 -0.453) 6.469 7.005 ( 2.902 -4.224 9.643) 10.920 7.082 ( 4.612 -4.027 5.041) 7.931 7.266 ( -2.399 1.669 3.598) 4.636 7.491 ( 10.329 -2.565 1.173) 10.708 7.677 ( -2.867 5.685 -7.391) 9.756 7.762 ( -3.215 4.551 4.217) 6.988 7.932 ( 1.338 11.960 -0.515) 12.045 7.969 ( 3.966 5.393 -2.988) 7.331 8.350 ( 1.454 -10.866 -3.300) 11.448 8.446 ( 5.663 0.109 5.656) 8.005 8.686 ( -6.842 -2.282 -0.421) 7.224 8.788 ( -1.053 1.507 -4.310) 4.686 9.040 ( -0.735 -2.174 -0.250) 2.308 9.145 ( 5.214 -2.104 4.235) 7.039 9.423 ( -3.483 -2.520 -5.476) 6.961 9.544 ( -1.596 -1.973 3.793) 4.564 9.673 ( -8.821 2.165 -0.260) 9.087 9.727 ( -2.907 4.125 -1.155) 5.177 9.786 ( -4.357 -0.954 -3.008) 5.380 9.909 ( 1.561 3.106 1.158) 3.664 10.145 ( -0.404 -5.084 -2.060) 5.501 10.235 ( -3.092 -1.176 -1.614) 3.680 10.346 ( 6.576 3.642 3.177) 8.161 10.421 ( 3.637 9.279 2.831) 10.361 10.531 ( -1.291 3.526 0.347) 3.771 10.650 ( 0.904 3.186 5.818) 6.694 10.884 ( -6.160 3.368 2.042) 7.311 10.915 ( -4.550 3.510 -3.184) 6.569 11.020 ( 4.182 3.279 -1.395) 5.494 11.154 ( 10.956 2.496 -1.483) 11.334 11.448 ( 2.646 -1.013 -3.227) 4.294 11.560 ( 6.858 -2.781 5.541) 9.245 11.922 ( -2.271 -0.106 -1.187) 2.564 12.019 ( 2.872 3.450 1.940) 4.890 12.396 ( -5.097 -6.321 -0.868) 8.166 12.560 ( -1.021 -3.847 -0.806) 4.061 12.599 ( 1.354 -1.452 -0.334) 2.013 12.670 ( -1.101 3.929 -0.295) 4.091 12.839 ( -3.021 -1.205 -1.094) 3.432 12.930 ( 3.509 3.315 -0.875) 4.906 13.103 ( 1.396 -3.377 2.099) 4.214 13.133 ( 2.153 0.909 -1.188) 2.622 13.347 ( -2.607 3.818 0.326) 4.635 13.422 ( 2.541 1.296 -0.845) 2.975 13.700 ( -5.463 2.835 -1.753) 6.399 13.828 ( 2.049 1.935 2.905) 4.048 14.075 ( -5.516 -1.560 -3.281) 6.604 14.264 ( 4.344 -4.929 5.019) 8.268 14.605 ( -3.960 -2.009 -0.702) 4.495 14.682 ( 1.599 -0.738 1.501) 2.314 15.029 ( 0.739 1.267 -1.136) 1.855 15.043 ( 2.037 0.419 1.131) 2.368 15.290 ( -3.617 -7.974 -5.765) 10.484 15.380 ( 1.930 -6.438 4.915) 8.326 15.695 ( -9.021 3.295 3.866) 10.353 15.829 ( -4.998 10.814 -9.359) 15.150 15.936 ( -0.140 -2.588 -7.139) 7.595 16.017 ( 0.263 1.277 -4.267) 4.462 16.229 ( 3.046 1.298 6.352) 7.163 16.435 ( 11.012 -3.737 7.179) 13.666 16.637 ( -3.705 -0.533 -0.172) 3.747 16.799 ( 4.393 -1.015 4.857) 6.628 17.069 ( -7.602 2.923 -6.783) 10.599 17.284 ( 5.430 5.107 5.015) 8.984 17.463 ( -6.248 2.109 -5.719) 8.729 17.589 ( -0.753 -2.047 2.373) 3.223 17.719 ( -0.098 3.002 0.430) 3.034 17.847 ( 8.153 -1.729 5.039) 9.739 18.037 ( 1.064 -0.117 2.630) 2.840 18.112 ( 6.178 0.462 6.602) 9.054 18.371 ( -5.252 -7.520 -0.956) 9.222 18.607 ( 8.846 -7.133 2.973) 11.746 18.747 ( -5.251 1.062 -4.860) 7.234 18.954 ( 5.389 3.258 4.436) 7.703 19.046 ( -2.561 0.493 -3.878) 4.674 19.187 ( 4.522 2.573 3.909) 6.508 19.294 ( -14.009 2.765 -12.815) 19.186 19.426 ( -2.811 -3.229 -1.726) 4.616 19.527 ( -1.118 -0.880 -3.710) 3.973 19.766 ( -0.993 2.919 -2.557) 4.005 19.819 ( -4.985 -0.311 -6.053) 7.847 19.851 ( 4.124 -0.692 8.986) 9.911 19.904 ( -1.871 6.566 -4.345) 8.093 20.070 ( 6.979 3.157 7.801) 10.933 20.370 ( -15.953 -0.760 -17.505) 23.695 20.808 ( 6.029 -7.529 5.839) 11.275 20.922 ( -4.713 -1.799 -1.910) 5.394 21.274 ( 14.025 8.589 12.528) 20.674 21.608 ( -16.916 -1.126 -17.144) 24.111 22.129 ( 0.233 -0.860 0.665) 1.112 22.195 ( 1.209 1.573 0.983) 2.214 22.215 ( -2.354 -2.490 -0.866) 3.534 22.262 ( 7.248 -3.129 6.358) 10.137 22.428 ( 8.927 -2.962 8.845) 12.912 22.518 ( 0.466 1.469 1.090) 1.887 22.596 ( 2.632 -0.929 2.414) 3.690 22.877 ( -2.758 0.508 2.153) 3.536 23.134 ( 16.282 -3.619 14.814) 22.308 24.199 ( -19.739 8.673 -15.570) 26.595 24.710 ( 10.988 6.986 8.713) 15.667 24.941 ( -0.796 0.172 -0.982) 1.276 25.006 ( 3.371 -0.137 1.891) 3.868 25.347 ( -14.747 -7.187 -18.221) 24.518 25.590 ( -0.195 -1.950 3.541) 4.047 26.088 ( -5.984 -8.396 1.258) 10.387 26.305 ( 8.620 -4.096 0.030) 9.543 26.468 ( -3.569 -0.016 -4.053) 5.400 26.722 ( 11.151 5.943 7.711) 14.802 27.077 ( -12.672 -0.592 -3.125) 13.065 27.318 ( 0.585 -2.168 -3.839) 4.448 27.484 ( 0.014 -2.188 -0.770) 2.320 27.594 ( 6.576 0.846 5.295) 8.484 27.719 ( -5.220 -3.807 -1.757) 6.695 27.863 ( 3.392 1.543 4.027) 5.487 28.073 ( -0.822 2.950 -1.253) 3.309 28.136 ( 2.955 5.070 2.781) 6.494 28.348 ( 0.167 0.327 1.090) 1.150 28.363 ( 0.978 0.536 0.296) 1.154 28.710 ( -7.736 1.754 -9.993) 12.758 28.780 ( 0.577 -5.346 0.969) 5.464 28.872 ( -8.246 -0.291 -4.835) 9.564 29.034 ( -2.375 1.467 -5.404) 6.083 29.041 ( 1.557 0.470 0.758) 1.795 29.307 ( 7.402 -7.792 -0.334) 10.752 29.547 ( -0.509 0.950 0.904) 1.406 29.732 ( 11.914 7.450 9.011) 16.692 29.937 ( -2.034 0.464 -2.037) 2.916 30.028 ( 2.584 -0.772 3.764) 4.631 30.212 ( -4.265 -2.861 -22.774) 23.346 30.470 ( 7.165 -0.269 15.249) 16.850 31.142 ( -8.564 6.253 -11.116) 15.363 31.439 ( 7.735 3.107 12.541) 15.059 31.606 ( -13.224 -3.026 -17.387) 22.053 31.878 ( -3.542 0.673 -4.196) 5.532 31.984 ( 4.046 -2.650 6.015) 7.718 32.055 ( 1.199 -0.257 6.523) 6.637 32.270 ( -6.224 -4.567 0.189) 7.722 32.402 ( 1.105 -3.616 -1.637) 4.120 32.672 ( -3.161 0.505 0.925) 3.332 32.860 ( 7.433 0.625 1.277) 7.568 33.189 ( -2.768 1.710 -2.732) 4.248 33.284 ( 2.350 2.391 2.592) 4.238 33.528 ( -3.768 -1.781 1.563) 4.451 33.620 ( 2.745 0.656 0.073) 2.824 33.992 ( -8.135 -3.096 -18.176) 20.152 34.341 ( 9.116 -10.992 32.874) 35.841 38.570 ( -1.783 7.446 -3.510) 8.423 38.656 ( 3.489 6.000 -1.785) 7.166 38.778 ( -1.704 -6.363 4.496) 7.975 38.857 ( 4.834 1.740 -1.294) 5.298 39.502 ( -3.570 -1.584 -1.411) 4.152 39.653 ( 5.846 1.898 1.865) 6.423 40.097 ( -1.325 4.771 -4.887) 6.957 40.177 ( 2.856 5.812 8.996) 11.084 41.578 ( -3.260 -6.446 2.794) 7.745 41.625 ( 0.172 -7.162 -8.029) 10.760 41.938 ( -2.522 8.233 3.052) 9.135 41.971 ( 0.470 10.346 -7.716) 12.915 42.594 ( -1.759 0.138 -3.572) 3.984 42.653 ( 0.989 -1.016 3.104) 3.413 43.375 ( -6.989 -6.112 5.789) 10.942 43.619 ( 9.624 -6.671 -0.985) 11.751 ======================= Grid point 133 (67/84) ======================= q-point: (-0.25 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -24.715 21.763 -13.760) 35.690 1.404 ( -24.849 11.682 14.339) 30.977 2.060 ( -4.047 6.649 0.994) 7.847 2.218 ( -13.617 11.372 18.328) 25.508 2.534 ( 5.768 9.878 8.766) 14.411 2.617 ( -2.909 -1.550 8.314) 8.943 2.729 ( -3.225 1.124 4.048) 5.296 2.934 ( 5.927 -0.132 -0.047) 5.929 3.038 ( 0.953 0.550 -7.792) 7.869 3.219 ( 3.012 -5.237 0.855) 6.102 3.297 ( -1.617 -0.394 3.100) 3.519 3.476 ( 1.339 0.807 -3.010) 3.391 3.502 ( 5.973 2.058 -4.037) 7.497 3.575 ( 3.424 -3.099 5.980) 7.556 3.653 ( 9.656 3.110 1.846) 10.311 3.766 ( 4.142 3.053 -5.434) 7.484 3.973 ( 0.610 -0.541 2.700) 2.820 4.044 ( 7.463 6.549 0.558) 9.945 4.357 ( -6.277 -11.473 -5.825) 14.317 4.505 ( -2.325 -0.107 -0.561) 2.394 4.587 ( 2.895 -8.223 -9.048) 12.564 4.676 ( -7.334 3.271 -7.292) 10.847 4.752 ( 7.825 -6.779 1.176) 10.420 4.902 ( -0.211 6.037 -5.041) 7.867 5.066 ( 3.393 1.850 3.926) 5.510 5.183 ( -4.859 3.135 0.629) 5.817 5.304 ( 1.709 4.000 -0.048) 4.350 5.366 ( -5.004 4.514 -4.326) 8.008 5.520 ( 2.070 -0.899 6.893) 7.253 5.661 ( 1.680 4.177 3.986) 6.013 5.693 ( -3.090 -0.434 1.279) 3.373 5.890 ( -8.176 -1.229 -3.506) 8.980 5.984 ( -3.683 -0.927 4.145) 5.622 5.997 ( -11.625 7.958 -3.550) 14.528 6.111 ( 5.874 1.882 -5.180) 8.055 6.230 ( -2.084 1.268 -3.281) 4.088 6.342 ( 3.037 -3.998 0.791) 5.083 6.562 ( 6.258 1.623 -2.411) 6.900 6.615 ( 0.441 -9.871 -5.102) 11.120 6.808 ( 1.577 -2.142 -0.810) 2.780 6.923 ( 1.361 -3.948 -0.734) 4.240 7.085 ( 1.428 -1.123 -1.627) 2.439 7.120 ( 11.191 -12.575 0.658) 16.846 7.179 ( 0.448 -7.647 5.299) 9.314 7.374 ( 5.134 -7.943 7.103) 11.828 7.607 ( 0.853 -4.154 5.944) 7.302 7.691 ( 2.583 -2.812 -1.593) 4.137 7.766 ( 3.026 9.516 2.485) 10.290 7.855 ( -3.273 -3.025 -4.030) 6.009 7.987 ( 2.324 4.383 -3.876) 6.295 8.396 ( 3.737 -12.991 -1.835) 13.641 8.508 ( 0.432 -2.980 0.639) 3.078 8.639 ( 1.626 4.445 -3.698) 6.006 8.732 ( -1.784 5.760 7.016) 9.251 9.051 ( 3.420 -1.831 -1.461) 4.145 9.201 ( 2.841 -2.530 -8.254) 9.089 9.326 ( -1.630 -6.092 -4.051) 7.496 9.490 ( -7.687 2.120 -3.799) 8.832 9.533 ( -6.005 5.261 2.593) 8.394 9.606 ( -9.164 -2.108 0.944) 9.450 9.778 ( 2.785 0.553 -2.552) 3.818 9.897 ( -2.466 -0.814 2.606) 3.679 10.101 ( -5.612 -0.563 -4.042) 6.939 10.170 ( 2.670 3.212 -2.754) 5.003 10.361 ( -4.392 16.281 -1.116) 16.900 10.507 ( 4.524 -3.997 4.004) 7.244 10.601 ( 2.852 -3.068 -0.261) 4.197 10.732 ( -3.811 0.736 6.605) 7.661 10.845 ( -0.138 1.996 3.007) 3.612 10.911 ( 1.094 3.837 9.926) 10.698 11.084 ( 6.666 -0.683 -2.076) 7.015 11.313 ( 10.267 2.320 0.990) 10.573 11.480 ( 5.915 1.129 -3.762) 7.100 11.721 ( 5.075 -5.076 4.334) 8.385 11.914 ( 2.301 -0.054 0.695) 2.404 12.067 ( 0.582 6.762 1.605) 6.974 12.312 ( -3.241 -4.978 -3.868) 7.088 12.438 ( -4.646 -3.799 -4.566) 7.541 12.604 ( -3.110 6.164 -2.468) 7.332 12.658 ( 2.714 -1.153 -2.106) 3.624 12.790 ( -4.224 -4.849 1.250) 6.551 12.978 ( 5.875 0.293 -0.507) 5.904 13.121 ( 0.425 0.215 -2.585) 2.629 13.197 ( 2.717 -1.042 4.813) 5.624 13.323 ( -0.353 2.325 0.178) 2.359 13.450 ( 3.059 -0.565 -0.759) 3.202 13.606 ( -6.590 4.005 1.219) 7.807 13.857 ( -4.134 1.420 3.128) 5.375 14.026 ( 0.002 2.693 2.431) 3.628 14.374 ( 1.168 -1.770 5.446) 5.845 14.518 ( -5.970 -2.457 -1.099) 6.549 14.741 ( 3.116 1.199 2.065) 3.925 15.018 ( -0.333 0.551 -3.256) 3.320 15.122 ( 2.474 -0.523 0.037) 2.529 15.138 ( -0.499 -1.597 -2.618) 3.107 15.459 ( -0.876 -0.204 3.770) 3.875 15.582 ( -9.081 -0.627 -7.029) 11.501 15.618 ( -2.915 1.807 -5.303) 6.316 15.838 ( -1.555 2.447 0.036) 2.900 15.983 ( 5.174 3.508 -10.023) 11.813 16.350 ( 0.796 0.685 3.903) 4.042 16.613 ( 4.270 -6.992 1.844) 8.397 16.706 ( 5.070 -4.249 8.352) 10.654 16.798 ( -5.571 -2.749 -3.637) 7.199 16.976 ( -2.646 5.921 2.350) 6.898 17.368 ( -1.176 1.815 2.939) 3.649 17.390 ( 3.010 9.706 -1.862) 10.331 17.615 ( -0.611 1.250 1.622) 2.137 17.684 ( -1.934 -1.051 0.229) 2.214 18.041 ( 5.049 -0.639 7.228) 8.840 18.091 ( 3.056 -0.727 2.423) 3.967 18.280 ( -2.014 -4.558 1.175) 5.119 18.388 ( 0.949 1.580 2.258) 2.915 18.625 ( -3.331 -3.717 -7.014) 8.609 18.646 ( -8.905 2.270 -10.800) 14.180 18.856 ( 11.413 2.973 13.682) 18.064 19.091 ( 1.798 -4.374 0.005) 4.729 19.178 ( -9.679 -3.556 -9.735) 14.181 19.233 ( 6.146 2.668 2.493) 7.149 19.320 ( -4.062 -3.716 -4.201) 6.925 19.424 ( -3.176 1.131 -7.887) 8.578 19.568 ( 1.141 -1.958 0.509) 2.322 19.744 ( 0.587 -0.794 0.085) 0.991 19.906 ( -1.273 1.059 -0.574) 1.752 19.952 ( -2.060 2.492 4.617) 5.636 20.064 ( -3.524 4.862 -2.756) 6.607 20.336 ( 8.145 7.383 7.617) 13.375 20.732 ( -4.322 -2.246 -6.952) 8.488 20.978 ( 2.015 -7.375 -0.444) 7.658 21.311 ( -2.861 -1.894 -2.333) 4.149 21.564 ( 5.355 5.915 5.294) 9.575 22.081 ( -1.484 -1.320 -0.755) 2.124 22.175 ( -1.331 -0.829 -0.319) 1.600 22.199 ( -1.882 -0.179 0.805) 2.055 22.374 ( 1.375 -2.974 0.935) 3.407 22.450 ( -1.777 1.202 -1.020) 2.376 22.584 ( -1.938 0.549 -0.169) 2.021 22.734 ( 1.026 -5.709 6.004) 8.348 23.058 ( 13.850 3.864 15.554) 21.182 23.676 ( -19.429 8.608 -17.487) 27.520 23.738 ( 18.698 -7.111 22.299) 29.957 24.792 ( -13.087 -4.599 -17.464) 22.303 24.877 ( 3.187 4.234 2.057) 5.684 24.963 ( -0.050 3.011 -1.246) 3.259 25.091 ( 2.440 0.505 0.874) 2.641 25.559 ( -4.273 4.775 -0.616) 6.438 25.994 ( -6.839 -9.675 -3.479) 12.348 26.336 ( 7.108 -3.551 -9.859) 12.662 26.493 ( 2.721 -9.596 6.304) 11.799 26.842 ( -4.715 -3.642 -1.361) 6.111 27.051 ( 9.850 11.579 7.823) 17.097 27.219 ( -2.080 1.735 -9.423) 9.804 27.423 ( -4.683 0.241 -3.270) 5.717 27.627 ( -2.235 -1.897 -2.342) 3.752 27.752 ( 2.407 -3.712 4.479) 6.296 27.973 ( 1.900 4.495 3.642) 6.090 28.074 ( 1.344 1.673 2.374) 3.200 28.219 ( 3.139 3.762 3.041) 5.767 28.345 ( -6.151 3.045 -6.054) 9.152 28.359 ( -0.310 0.534 -0.014) 0.618 28.408 ( -2.376 0.733 -3.031) 3.920 28.725 ( -2.862 -15.144 -6.614) 16.772 28.831 ( 0.884 3.582 -0.918) 3.802 28.947 ( -2.454 -1.103 -2.172) 3.458 29.068 ( 0.871 -0.954 -1.874) 2.276 29.221 ( -2.907 1.791 -7.409) 8.158 29.566 ( 0.948 0.660 1.146) 1.627 29.836 ( -3.443 2.600 -3.553) 5.589 29.911 ( -0.628 -1.665 0.326) 1.809 29.987 ( 1.274 2.583 -0.176) 2.886 30.309 ( 15.812 8.121 6.878) 19.060 30.683 ( 5.143 6.648 2.045) 8.650 30.912 ( -11.870 -0.249 -8.170) 14.412 31.219 ( -7.666 -3.007 -9.210) 12.355 31.613 ( 0.189 -3.349 5.664) 6.582 31.856 ( 2.871 8.219 5.916) 10.526 31.960 ( -10.621 -6.052 0.276) 12.228 32.159 ( -6.062 -1.445 -0.758) 6.278 32.222 ( 7.051 0.122 6.520) 9.604 32.361 ( -3.289 0.693 -1.835) 3.830 32.713 ( 1.036 -1.603 4.922) 5.279 32.966 ( 5.261 -2.463 0.328) 5.819 33.131 ( -1.239 -1.710 -1.417) 2.542 33.326 ( -0.060 -0.384 -0.306) 0.494 33.461 ( -4.392 -5.886 -0.832) 7.391 33.694 ( 0.399 8.307 -3.000) 8.841 33.738 ( 0.240 0.245 -3.519) 3.536 34.826 ( 4.457 -23.827 18.321) 30.385 38.479 ( 0.053 4.475 -5.735) 7.275 38.659 ( 0.531 -2.208 -2.531) 3.400 38.813 ( -0.854 -6.841 3.180) 7.592 38.975 ( 10.024 13.973 -0.830) 17.217 39.452 ( -0.405 -0.295 -0.351) 0.611 39.753 ( 4.078 4.068 0.659) 5.797 40.030 ( 1.479 6.635 -4.607) 8.212 40.344 ( 2.685 6.306 5.011) 8.490 41.493 ( -1.745 -3.629 -1.754) 4.392 41.569 ( -2.961 -5.359 3.475) 7.040 41.881 ( -0.887 6.568 -0.291) 6.634 41.992 ( -4.310 9.003 7.520) 12.497 42.534 ( -0.514 -0.239 -2.854) 2.910 42.681 ( -0.838 -1.712 1.047) 2.175 43.407 ( 0.481 -9.918 8.472) 13.052 43.740 ( 8.996 -7.739 -1.901) 12.018 ======================= Grid point 134 (68/84) ======================= q-point: (-0.12 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 16.031 27.018 24.117) 39.606 1.424 ( -8.741 10.197 28.841) 31.815 2.013 ( -1.991 10.174 2.186) 10.595 2.324 ( -4.087 2.973 9.444) 10.711 2.635 ( -5.969 7.867 6.617) 11.887 2.671 ( -2.021 4.565 3.168) 5.913 2.799 ( -5.378 1.353 19.675) 20.441 2.982 ( 4.612 -1.192 -5.000) 6.905 3.015 ( 2.921 2.798 6.042) 7.271 3.191 ( -6.760 -3.251 2.879) 8.035 3.317 ( 9.076 -0.488 -5.159) 10.451 3.499 ( 2.595 1.855 -0.164) 3.195 3.577 ( 1.553 3.431 -0.942) 3.882 3.663 ( 0.560 -2.894 -2.891) 4.129 3.723 ( 2.845 1.191 -0.208) 3.091 3.790 ( 8.097 2.025 -5.710) 10.113 4.077 ( 3.372 -5.140 4.314) 7.510 4.125 ( -0.357 -0.906 -5.175) 5.265 4.224 ( 2.586 0.696 4.329) 5.090 4.452 ( -5.490 1.937 -1.287) 5.962 4.458 ( -2.962 2.634 -5.984) 7.178 4.506 ( 2.630 -6.279 -12.393) 14.139 4.786 ( -2.287 7.258 -6.129) 9.771 4.912 ( 7.724 -5.068 -1.393) 9.342 5.089 ( -8.502 -0.180 -3.604) 9.236 5.130 ( -1.739 3.191 1.793) 4.052 5.262 ( -1.802 -3.446 -1.042) 4.026 5.376 ( 2.020 0.059 -3.118) 3.716 5.499 ( -6.762 4.931 -2.870) 8.848 5.582 ( -4.186 4.694 4.820) 7.924 5.737 ( 1.722 5.039 5.711) 7.809 5.779 ( -0.502 2.280 -5.849) 6.298 5.902 ( -4.420 4.374 0.831) 6.274 5.997 ( 2.387 6.252 2.821) 7.263 6.102 ( 4.019 -0.976 -1.760) 4.494 6.226 ( 2.366 -1.097 3.073) 4.031 6.406 ( 0.282 -6.731 2.708) 7.261 6.501 ( -2.296 -7.012 -8.509) 11.262 6.758 ( 7.496 -3.771 5.456) 10.009 6.819 ( -1.444 1.175 -3.782) 4.215 6.892 ( 1.388 -0.044 1.003) 1.713 7.087 ( 1.279 4.891 0.945) 5.143 7.130 ( -2.559 -1.438 -0.971) 3.092 7.215 ( 0.804 -15.222 -8.179) 17.298 7.438 ( -2.192 -5.152 -7.964) 9.735 7.638 ( -0.057 -11.675 1.793) 11.812 7.702 ( 3.582 -5.696 4.247) 7.957 7.824 ( -1.794 9.572 -7.942) 12.567 7.866 ( 4.597 -2.928 7.332) 9.136 7.919 ( 2.063 2.205 -4.267) 5.227 8.400 ( 0.827 -10.257 2.292) 10.543 8.569 ( 1.610 -7.218 -0.691) 7.427 8.662 ( -3.797 4.681 5.529) 8.179 8.824 ( 8.903 0.143 0.639) 8.927 9.035 ( -4.764 8.713 -13.005) 16.364 9.122 ( 7.443 -4.167 -0.945) 8.582 9.237 ( -5.438 -0.701 -0.974) 5.569 9.299 ( -3.883 -4.632 -6.924) 9.191 9.537 ( -2.370 -0.858 2.775) 3.749 9.568 ( -1.942 2.254 6.119) 6.804 9.797 ( -1.063 8.395 -4.123) 9.413 9.908 ( 3.315 -10.566 5.171) 12.221 9.975 ( -6.232 1.097 0.273) 6.334 10.191 ( 3.025 5.294 -1.539) 6.288 10.277 ( -3.738 5.409 -1.847) 6.830 10.544 ( -0.446 2.905 -4.782) 5.613 10.638 ( 0.812 -7.335 3.862) 8.329 10.709 ( -5.049 -5.661 3.517) 8.361 10.930 ( 0.673 1.565 6.367) 6.592 11.089 ( 1.635 4.380 7.162) 8.553 11.180 ( 9.138 -3.623 2.694) 10.193 11.420 ( 3.660 -0.522 -1.501) 3.990 11.536 ( 6.798 2.027 -1.984) 7.366 11.769 ( -1.291 -6.126 -2.440) 6.720 11.943 ( 1.439 -0.839 -2.013) 2.613 12.098 ( -0.773 8.286 0.987) 8.380 12.226 ( 0.565 -1.663 -0.823) 1.940 12.379 ( 2.397 -1.893 -1.843) 3.567 12.538 ( -4.285 3.184 -1.202) 5.472 12.619 ( -0.913 1.380 -4.970) 5.238 12.760 ( -1.508 -3.681 2.589) 4.746 13.054 ( -3.313 1.857 -3.987) 5.506 13.095 ( 7.136 -2.627 1.760) 7.805 13.256 ( -0.883 -0.828 1.413) 1.861 13.380 ( 5.748 -3.303 2.923) 7.246 13.498 ( 4.010 -1.061 -0.004) 4.148 13.554 ( -5.250 3.815 4.343) 7.809 13.793 ( -7.057 2.677 -0.067) 7.548 14.103 ( 2.164 4.397 6.696) 8.298 14.398 ( -3.837 4.422 -0.127) 5.856 14.461 ( -0.678 -5.605 2.498) 6.174 14.746 ( -3.758 0.169 -4.151) 5.602 14.942 ( 2.150 2.562 -1.968) 3.881 15.146 ( 1.706 6.243 1.192) 6.581 15.245 ( 4.579 -4.394 3.259) 7.134 15.357 ( -3.513 2.180 -9.478) 10.340 15.445 ( -3.765 1.733 3.376) 5.346 15.605 ( 2.097 1.967 0.124) 2.878 15.855 ( -1.172 0.703 2.471) 2.824 15.928 ( 5.973 1.186 -10.698) 12.310 16.342 ( -3.329 -0.625 -0.251) 3.396 16.626 ( -1.758 -4.097 0.418) 4.478 16.706 ( -3.474 -7.372 -4.204) 9.170 16.874 ( -1.143 -4.530 1.565) 4.927 16.939 ( 2.189 4.590 5.316) 7.356 17.333 ( -2.355 9.545 -6.089) 11.564 17.438 ( 0.965 2.123 4.325) 4.914 17.609 ( -2.017 3.389 0.160) 3.947 17.675 ( 1.486 -0.728 2.681) 3.151 18.003 ( -6.918 5.201 -6.291) 10.700 18.086 ( -2.252 -0.821 1.757) 2.972 18.235 ( -5.219 -4.687 -1.108) 7.102 18.317 ( -6.561 -0.723 -6.458) 9.234 18.558 ( -2.195 1.501 -4.414) 5.153 18.659 ( 4.679 -4.646 -0.204) 6.597 18.851 ( 6.167 -4.344 8.290) 11.209 19.092 ( -0.827 -0.409 -1.879) 2.093 19.125 ( -3.242 1.241 -3.063) 4.629 19.266 ( 2.171 0.695 -0.416) 2.317 19.501 ( 10.017 -1.640 7.775) 12.786 19.544 ( 7.774 -2.408 5.837) 10.015 19.600 ( 8.011 1.722 9.106) 12.250 19.794 ( 3.245 -3.115 2.566) 5.179 19.857 ( 1.605 0.174 -2.233) 2.755 19.951 ( -3.852 0.066 2.352) 4.514 20.055 ( -0.046 5.815 2.872) 6.486 20.415 ( -5.472 7.020 -2.599) 9.272 20.663 ( 5.050 -0.367 0.283) 5.071 20.912 ( -3.136 -4.914 -5.138) 7.770 21.433 ( 9.013 -2.389 9.643) 13.414 21.541 ( -6.410 7.540 -7.088) 12.173 22.081 ( 0.613 -0.968 1.443) 1.842 22.152 ( -0.902 2.444 0.674) 2.690 22.220 ( 0.752 -4.579 4.017) 6.137 22.362 ( -1.750 -2.625 -1.853) 3.658 22.411 ( -0.988 1.470 -1.592) 2.381 22.562 ( -0.792 1.532 0.191) 1.735 22.738 ( -4.647 -5.332 1.108) 7.159 23.031 ( -16.587 4.321 -15.633) 23.199 23.634 ( -19.284 -8.603 -17.281) 27.286 23.698 ( 13.348 6.768 15.503) 21.548 24.765 ( 1.850 0.492 -1.307) 2.318 24.956 ( 1.544 0.475 0.978) 1.889 25.067 ( 14.527 4.295 14.219) 20.777 25.114 ( 2.779 0.453 2.477) 3.750 25.499 ( -1.654 5.248 -0.346) 5.513 25.828 ( -7.954 -4.920 -0.835) 9.390 26.345 ( 8.791 -6.488 -7.339) 13.162 26.600 ( -0.243 -13.458 4.479) 14.186 26.821 ( -0.396 -2.801 3.917) 4.831 26.988 ( -8.670 6.005 -13.677) 17.272 27.197 ( 3.422 9.613 -3.768) 10.877 27.364 ( -0.062 -2.027 1.519) 2.534 27.529 ( -4.143 -3.492 -4.678) 7.159 27.799 ( -0.368 -2.080 0.430) 2.156 27.928 ( -4.421 3.423 -3.643) 6.673 28.138 ( 0.290 -0.026 1.348) 1.379 28.249 ( -1.544 6.841 -1.766) 7.232 28.319 ( 2.159 -2.244 -0.976) 3.263 28.364 ( 3.078 -0.888 3.236) 4.554 28.443 ( 4.570 0.127 5.081) 6.835 28.747 ( 4.188 -4.592 0.711) 6.256 28.878 ( 8.110 -0.457 5.047) 9.563 28.987 ( 7.038 -1.707 5.299) 8.974 29.030 ( 4.038 -1.677 -1.185) 4.530 29.145 ( -0.470 5.580 -0.833) 5.661 29.581 ( -0.823 1.092 -0.471) 1.447 29.818 ( 2.345 2.089 1.216) 3.367 29.910 ( -2.322 0.448 -4.687) 5.250 29.935 ( -2.478 0.330 0.617) 2.575 30.374 ( -11.201 1.557 -13.227) 17.403 30.495 ( -11.796 0.423 -6.760) 13.602 30.906 ( 11.327 4.990 3.735) 12.928 31.215 ( 6.789 -3.245 6.718) 10.087 31.714 ( -0.874 -0.290 4.658) 4.749 31.758 ( -8.323 1.089 -2.608) 8.790 31.959 ( 0.654 4.553 4.380) 6.351 32.102 ( -1.160 -0.771 -0.059) 1.394 32.287 ( -4.148 3.612 1.789) 5.784 32.429 ( 6.367 -0.582 7.980) 10.225 32.755 ( -1.968 -0.698 2.740) 3.445 33.022 ( 3.180 -6.742 -0.990) 7.520 33.116 ( -0.222 -3.037 0.272) 3.057 33.254 ( -2.175 0.018 -7.375) 7.689 33.403 ( -6.274 -8.801 4.061) 11.546 33.563 ( 0.237 -2.033 -8.409) 8.655 33.891 ( 7.756 12.158 8.057) 16.519 34.772 ( -18.935 -13.490 -5.831) 23.969 38.459 ( 2.343 -1.820 -0.767) 3.064 38.618 ( -1.224 -4.694 -3.101) 5.757 38.830 ( -1.860 -5.436 2.961) 6.463 39.043 ( 7.842 7.117 -9.677) 14.346 39.486 ( 2.228 7.193 2.291) 7.871 39.747 ( -1.433 7.190 -4.572) 8.640 40.052 ( 6.395 6.727 -1.199) 9.358 40.276 ( -11.388 9.922 -0.454) 15.111 41.555 ( -0.436 -5.937 4.920) 7.723 41.669 ( 8.587 -6.591 3.443) 11.359 41.913 ( 1.365 5.767 5.482) 8.074 42.022 ( -0.852 9.035 4.695) 10.217 42.516 ( 1.219 -0.372 -0.780) 1.494 42.654 ( -2.238 -1.657 -1.408) 3.120 43.596 ( 7.228 -17.819 9.687) 21.531 43.825 ( 5.381 -9.465 -2.023) 11.074 ======================= Grid point 135 (69/84) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 2.720 17.175 17.355) 24.567 2.054 ( -0.380 9.890 6.663) 11.932 2.172 ( 4.588 16.623 0.100) 17.245 2.390 ( -0.989 11.246 -6.441) 12.998 2.652 ( -2.068 -1.360 3.829) 4.560 2.732 ( -1.565 -3.951 -3.478) 5.492 2.964 ( -2.636 -1.574 11.019) 11.439 2.995 ( 4.647 0.699 1.021) 4.809 3.065 ( -3.591 2.617 -2.285) 4.997 3.096 ( 4.098 -7.019 0.237) 8.131 3.478 ( -0.788 -1.832 -3.080) 3.669 3.528 ( -5.624 2.997 -2.309) 6.778 3.587 ( 1.598 4.932 4.383) 6.789 3.689 ( -2.726 2.055 -0.189) 3.419 3.714 ( 5.026 3.315 3.199) 6.818 3.887 ( 5.362 2.471 -7.055) 9.199 4.010 ( 3.235 -2.239 7.624) 8.579 4.108 ( -1.589 -3.460 -3.432) 5.126 4.239 ( -2.010 -4.197 -2.211) 5.152 4.291 ( -0.489 -3.093 -5.958) 6.731 4.545 ( 4.425 4.106 6.099) 8.581 4.656 ( -3.835 15.514 9.081) 18.381 4.740 ( -6.139 -0.256 -10.569) 12.225 4.834 ( -0.520 9.268 -4.754) 10.429 5.063 ( 2.351 1.833 5.836) 6.553 5.220 ( -2.978 5.114 1.088) 6.018 5.262 ( 5.628 3.178 -1.053) 6.548 5.357 ( -1.088 9.115 -5.105) 10.504 5.504 ( 1.353 -0.517 -3.755) 4.025 5.571 ( -8.203 0.254 -3.325) 8.855 5.696 ( -3.389 -0.593 0.982) 3.578 5.752 ( -0.107 -1.947 -0.604) 2.042 5.984 ( 4.360 -0.451 2.542) 5.067 6.034 ( 3.910 -3.913 -2.002) 5.883 6.209 ( -1.031 2.503 3.791) 4.659 6.273 ( -1.206 5.790 -0.823) 5.972 6.346 ( 8.017 -9.518 1.341) 12.517 6.447 ( -0.475 -10.508 -4.348) 11.382 6.619 ( -0.542 0.148 -1.471) 1.575 6.676 ( -8.599 -0.850 -2.426) 8.975 6.852 ( -0.477 -10.614 0.293) 10.628 6.952 ( 0.250 -11.373 -4.538) 12.247 7.021 ( -2.592 -1.803 5.599) 6.428 7.150 ( 2.102 -6.544 -3.851) 7.879 7.398 ( 4.661 3.654 3.577) 6.919 7.483 ( -4.738 -2.989 -4.777) 7.362 7.700 ( 9.286 -3.165 2.321) 10.082 7.729 ( -5.215 -2.066 -0.953) 5.690 7.972 ( 3.708 0.424 3.393) 5.044 8.013 ( -2.349 5.741 -1.782) 6.454 8.312 ( 12.782 -4.745 5.590) 14.736 8.422 ( -8.120 -3.969 -2.941) 9.504 8.734 ( 1.899 -0.195 4.742) 5.112 8.875 ( -9.095 -2.609 -7.678) 12.185 8.972 ( -0.059 -0.840 5.744) 5.805 9.072 ( 2.209 -1.894 -2.383) 3.761 9.203 ( -0.198 0.464 -1.364) 1.454 9.276 ( 2.574 9.887 -8.047) 13.005 9.463 ( -2.191 -5.137 5.757) 8.021 9.599 ( 1.272 -6.084 -5.116) 8.050 9.775 ( -0.608 -3.117 5.707) 6.532 9.856 ( 2.085 -2.316 -0.342) 3.135 10.060 ( 1.021 6.883 0.903) 7.016 10.217 ( -5.500 -1.372 -10.077) 11.562 10.312 ( 3.987 2.360 10.126) 11.135 10.492 ( -3.198 -0.135 -2.808) 4.258 10.540 ( -5.550 0.269 -0.737) 5.605 10.577 ( 4.836 -2.723 -1.974) 5.890 10.983 ( -1.517 -4.208 3.640) 5.767 11.043 ( 1.974 -7.611 -1.591) 8.022 11.328 ( -3.351 1.478 5.629) 6.716 11.410 ( 3.126 -0.662 -2.524) 4.072 11.582 ( 0.837 -0.731 2.455) 2.695 11.632 ( -0.966 -1.779 -1.601) 2.581 12.010 ( 1.986 0.498 0.544) 2.118 12.048 ( -1.974 -1.854 -3.372) 4.325 12.342 ( 0.075 6.767 7.589) 10.168 12.476 ( -6.096 4.373 -1.700) 7.692 12.536 ( 4.405 7.477 -0.369) 8.686 12.598 ( 1.149 3.710 -5.623) 6.834 12.816 ( 2.488 1.054 6.263) 6.821 12.953 ( -1.494 -0.205 -5.947) 6.136 13.183 ( 1.164 -2.463 1.651) 3.186 13.222 ( 0.216 2.060 -1.716) 2.689 13.418 ( -2.898 -6.790 2.445) 7.777 13.443 ( 3.623 -4.900 0.428) 6.109 13.634 ( 4.165 2.474 2.497) 5.449 13.709 ( -5.913 1.925 -3.796) 7.286 14.267 ( -0.622 -0.365 4.246) 4.307 14.320 ( 0.823 -0.842 0.514) 1.285 14.555 ( 1.988 3.030 1.204) 3.819 14.626 ( -4.462 1.075 -4.868) 6.690 15.080 ( 4.140 3.948 3.286) 6.598 15.167 ( -2.559 0.339 -2.721) 3.751 15.214 ( -3.214 -4.893 1.420) 6.024 15.257 ( 2.006 -0.618 -4.179) 4.677 15.606 ( 1.258 4.072 7.481) 8.610 15.760 ( -0.211 7.563 -4.104) 8.608 15.803 ( 1.121 -2.619 -0.494) 2.891 15.893 ( 0.394 4.878 -5.527) 7.382 16.286 ( 2.072 -5.503 3.672) 6.933 16.384 ( -4.562 -9.827 -4.698) 11.809 16.668 ( 4.483 2.395 5.398) 7.414 16.774 ( -4.267 2.775 -3.895) 6.410 17.192 ( 5.537 4.957 8.373) 11.195 17.382 ( -4.890 9.885 -8.839) 14.134 17.474 ( 0.210 -1.167 4.912) 5.053 17.648 ( -5.769 -2.310 -10.504) 12.205 17.724 ( 4.296 0.543 6.270) 7.620 17.876 ( -6.243 1.110 -3.998) 7.496 17.960 ( 3.510 -3.921 3.152) 6.134 18.077 ( -4.132 -0.484 -2.881) 5.060 18.235 ( -2.576 -3.554 2.553) 5.078 18.344 ( 1.333 -7.388 -7.706) 10.758 18.766 ( 4.133 1.898 5.861) 7.418 18.917 ( -4.527 -1.071 -7.273) 8.634 19.205 ( 7.271 4.396 7.054) 11.043 19.257 ( 2.182 2.819 5.459) 6.520 19.317 ( 1.828 4.018 2.585) 5.115 19.471 ( -2.062 -1.782 -5.686) 6.306 19.630 ( 5.077 0.662 7.245) 8.872 19.778 ( -3.527 0.134 -4.359) 5.609 19.846 ( 1.660 -0.185 2.498) 3.005 19.881 ( 3.030 0.580 -0.778) 3.182 19.965 ( -2.097 -1.890 5.594) 6.266 20.090 ( 1.803 -1.365 -4.022) 4.614 20.420 ( 3.455 -3.155 5.102) 6.922 20.590 ( -6.211 -5.847 -8.518) 12.055 21.133 ( 12.015 14.183 16.043) 24.554 21.469 ( -11.331 12.841 -13.804) 21.996 21.724 ( 14.897 -4.952 16.009) 22.422 22.023 ( -8.680 -4.063 -9.864) 13.753 22.180 ( 3.958 -1.475 4.515) 6.183 22.216 ( 1.543 -2.944 3.772) 5.027 22.270 ( -0.531 -1.391 0.318) 1.523 22.372 ( -6.461 -1.082 -6.370) 9.137 22.543 ( 1.243 0.074 0.257) 1.272 22.588 ( -3.231 2.039 -1.617) 4.149 22.791 ( -4.860 -1.386 -2.605) 5.685 22.911 ( -11.285 -6.995 -12.882) 18.499 24.386 ( 14.797 12.124 18.188) 26.396 24.723 ( -7.729 9.560 -12.215) 17.330 25.008 ( 1.489 0.064 1.389) 2.038 25.039 ( -1.456 -1.416 -1.365) 2.447 25.503 ( 8.850 -5.490 9.924) 14.386 25.551 ( -2.955 0.580 0.692) 3.090 25.725 ( 1.708 -6.329 7.513) 9.971 26.007 ( -2.650 -17.989 -13.512) 22.654 26.582 ( 4.901 4.012 7.789) 10.039 26.773 ( -4.133 3.750 -8.344) 10.038 27.003 ( 1.320 3.537 6.537) 7.549 27.189 ( -3.839 -0.364 -8.512) 9.345 27.361 ( 0.888 -0.963 1.238) 1.803 27.402 ( -1.345 0.668 -2.835) 3.208 27.744 ( -2.169 -1.814 1.951) 3.435 27.819 ( -0.952 -1.496 -4.890) 5.202 28.153 ( 0.265 1.319 1.541) 2.045 28.225 ( -0.989 0.902 -4.857) 5.038 28.330 ( -1.226 -1.685 0.666) 2.187 28.360 ( 0.918 -0.103 -1.226) 1.534 28.735 ( 9.845 0.029 11.266) 14.962 28.808 ( 4.618 1.197 2.094) 5.210 28.876 ( -4.601 3.100 -0.362) 5.560 28.955 ( -1.308 0.233 -4.560) 4.750 29.228 ( 7.502 -0.720 6.330) 9.843 29.374 ( 7.462 -7.433 2.618) 10.853 29.473 ( 1.551 -1.241 -1.453) 2.460 29.688 ( -14.525 -3.462 -9.638) 17.772 29.903 ( 0.503 -0.477 1.816) 1.943 30.011 ( -0.558 -0.877 -7.607) 7.677 30.065 ( -2.350 0.205 -2.215) 3.236 30.115 ( -5.423 1.479 -5.023) 7.538 31.184 ( 9.360 0.367 2.669) 9.740 31.249 ( -2.909 -2.694 -2.433) 4.651 31.740 ( 3.475 2.988 4.554) 6.461 31.791 ( -2.699 -0.104 0.765) 2.807 32.113 ( 0.154 5.688 3.666) 6.769 32.154 ( 1.200 6.419 -0.961) 6.601 32.363 ( 1.374 -0.084 6.041) 6.196 32.460 ( -1.730 -2.542 -1.626) 3.478 32.812 ( 0.966 0.220 6.513) 6.588 32.913 ( -0.012 -3.213 -0.823) 3.317 33.053 ( -2.444 -2.416 1.503) 3.750 33.154 ( -0.125 -0.605 -7.731) 7.755 33.219 ( -1.450 -5.951 5.669) 8.346 33.384 ( 0.822 -5.772 -9.169) 10.866 34.325 ( 4.866 7.990 9.843) 13.580 34.453 ( -8.792 3.580 -1.305) 9.582 38.472 ( -0.429 1.616 -1.707) 2.390 38.485 ( 0.475 -1.392 -2.370) 2.789 38.731 ( -1.095 -7.532 4.803) 8.999 38.895 ( 1.520 -8.830 -10.610) 13.887 39.760 ( 3.598 9.419 0.839) 10.118 39.804 ( -3.422 7.405 -2.876) 8.649 40.323 ( 3.262 9.425 2.839) 10.370 40.337 ( -6.710 11.240 1.431) 13.169 41.516 ( -0.738 -3.961 4.730) 6.213 41.608 ( 1.973 -5.831 -3.040) 6.865 42.104 ( -1.131 6.260 5.951) 8.711 42.219 ( 6.497 4.623 -4.181) 9.004 42.537 ( 1.698 -0.259 1.265) 2.133 42.578 ( -0.680 -0.720 -2.138) 2.356 43.416 ( -2.090 -15.341 9.904) 18.380 43.567 ( -0.760 -15.203 -4.872) 15.983 ======================= Grid point 136 (70/84) ======================= q-point: ( 0.12 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -6.086 16.134 -16.633) 23.958 2.000 ( 1.008 8.754 11.409) 14.416 2.186 ( -4.961 17.006 -12.175) 21.495 2.377 ( 4.304 9.936 5.562) 12.173 2.631 ( -6.758 -4.554 2.247) 8.453 2.719 ( 0.030 -0.108 2.524) 2.527 2.910 ( -2.946 2.411 -0.544) 3.846 2.987 ( -5.455 -3.100 -1.412) 6.432 3.102 ( -2.027 -3.953 -1.197) 4.601 3.159 ( 9.112 -2.870 0.471) 9.566 3.351 ( -10.331 1.293 -0.035) 10.412 3.490 ( -4.888 -0.527 3.830) 6.232 3.605 ( -3.793 -0.419 -0.127) 3.818 3.646 ( -2.741 3.065 5.190) 6.622 3.749 ( -0.134 2.768 -7.722) 8.205 3.819 ( 1.582 2.959 -3.139) 4.595 4.038 ( -1.111 -2.578 -5.589) 6.254 4.109 ( 0.118 -3.034 1.874) 3.568 4.178 ( -6.106 -5.798 3.019) 8.945 4.287 ( 3.140 -1.676 0.668) 3.621 4.525 ( -3.290 3.024 -3.624) 5.753 4.700 ( -3.611 8.311 3.848) 9.844 4.786 ( 9.383 1.072 5.093) 10.730 4.859 ( 7.541 12.082 1.092) 14.284 5.052 ( -3.553 7.263 -3.696) 8.891 5.242 ( 4.116 3.682 1.851) 5.824 5.297 ( 2.244 6.840 -4.517) 8.499 5.322 ( -0.538 2.468 3.012) 3.931 5.469 ( 2.702 2.328 4.093) 5.429 5.638 ( 5.622 0.933 7.490) 9.412 5.688 ( -3.361 -5.247 -0.808) 6.283 5.799 ( 7.325 2.149 2.527) 8.041 5.988 ( -0.425 -3.229 -7.669) 8.331 6.060 ( 4.206 -2.858 -4.529) 6.809 6.165 ( -5.400 2.790 0.602) 6.108 6.227 ( -4.460 -2.338 2.404) 5.580 6.335 ( 0.230 -4.421 -4.868) 6.580 6.421 ( -2.185 -0.839 1.033) 2.559 6.626 ( 2.224 -2.081 1.484) 3.388 6.783 ( 1.840 -2.600 -2.312) 3.936 6.800 ( -0.884 -10.142 8.842) 13.484 6.912 ( -1.095 -12.428 1.087) 12.524 7.052 ( -2.559 -9.248 -0.501) 9.608 7.095 ( -0.466 2.263 0.234) 2.323 7.372 ( -1.932 1.603 -2.125) 3.289 7.513 ( 4.144 -0.487 4.157) 5.890 7.580 ( -8.720 -2.276 -4.738) 10.182 7.829 ( 5.496 -4.545 -1.692) 7.330 7.959 ( -3.146 -3.213 -3.189) 5.513 8.065 ( 4.191 12.042 -1.537) 12.843 8.168 ( -10.962 -7.989 -4.135) 14.181 8.511 ( 5.439 -1.889 0.061) 5.758 8.723 ( -2.094 -3.161 -0.098) 3.793 8.911 ( 5.361 4.071 9.091) 11.312 8.983 ( -3.818 -5.299 3.947) 7.632 9.030 ( -2.292 4.734 -9.268) 10.657 9.120 ( -2.599 0.780 4.584) 5.327 9.266 ( -0.490 2.771 -3.002) 4.114 9.547 ( 1.034 -11.337 5.716) 12.739 9.596 ( 8.606 0.589 -4.466) 9.713 9.835 ( 1.188 -4.036 1.312) 4.408 9.854 ( 2.849 0.835 -4.057) 5.027 10.061 ( -1.248 3.921 -2.618) 4.877 10.178 ( 2.098 2.594 10.091) 10.628 10.331 ( -5.346 1.253 -9.122) 10.647 10.486 ( 1.101 5.185 7.751) 9.390 10.514 ( 0.886 -4.575 1.097) 4.788 10.678 ( 10.960 -2.490 -0.814) 11.268 10.963 ( -4.384 -5.752 0.243) 7.236 11.043 ( 0.804 -4.500 -1.014) 4.682 11.338 ( -2.543 1.071 2.813) 3.941 11.421 ( 2.200 0.769 -2.979) 3.782 11.551 ( -3.639 -1.101 0.106) 3.803 11.638 ( -0.082 -1.127 -0.590) 1.275 11.931 ( -6.814 1.225 -0.022) 6.923 12.077 ( 2.757 -2.766 0.782) 3.983 12.358 ( -3.049 6.268 -2.523) 7.413 12.442 ( -2.754 7.712 5.429) 9.825 12.547 ( 0.535 3.293 -1.906) 3.842 12.598 ( 3.828 3.707 -0.446) 5.347 12.842 ( -1.740 1.321 -6.851) 7.191 12.919 ( 1.128 -1.286 5.294) 5.563 13.112 ( -6.464 0.048 -0.994) 6.540 13.242 ( -1.304 -3.186 -0.658) 3.505 13.348 ( -2.608 -1.233 0.699) 2.968 13.488 ( -1.934 -3.370 -1.730) 4.253 13.657 ( 5.234 0.387 -2.802) 5.949 13.773 ( 7.772 0.594 4.841) 9.176 14.244 ( -4.168 -0.644 -0.079) 4.218 14.367 ( 3.604 -3.149 -1.370) 4.978 14.537 ( -1.719 4.019 -0.818) 4.447 14.649 ( 4.904 0.814 5.270) 7.245 15.050 ( -4.435 3.166 -4.709) 7.202 15.165 ( -4.042 -5.669 -0.646) 6.992 15.186 ( 2.017 4.811 6.972) 8.708 15.284 ( 3.583 -3.871 -1.930) 5.617 15.630 ( -3.550 0.715 -3.215) 4.842 15.741 ( 2.952 3.543 3.321) 5.682 15.772 ( -4.155 6.756 -3.733) 8.766 15.889 ( 2.708 4.390 0.721) 5.209 16.291 ( -0.610 -6.447 -2.108) 6.811 16.401 ( 3.465 -9.882 4.758) 11.502 16.658 ( -2.416 1.660 -3.673) 4.699 16.797 ( 3.164 1.294 3.467) 4.869 17.196 ( -3.605 7.238 -7.511) 11.036 17.368 ( 3.696 10.232 7.547) 13.240 17.519 ( 0.455 -1.835 -3.415) 3.903 17.633 ( 5.093 -0.601 10.052) 11.285 17.722 ( -2.669 -0.086 -4.716) 5.419 17.939 ( 6.569 1.565 8.164) 10.595 17.953 ( 2.063 -5.692 -2.840) 6.688 18.121 ( 4.930 0.060 2.570) 5.560 18.233 ( -1.590 -8.282 4.993) 9.800 18.319 ( 2.052 -4.854 -1.373) 5.446 18.763 ( -3.603 3.105 -6.005) 7.661 18.917 ( 3.789 -2.031 6.146) 7.500 19.147 ( -9.827 3.352 -8.514) 13.428 19.268 ( -5.343 4.306 -9.434) 11.666 19.317 ( 0.741 6.132 1.557) 6.370 19.451 ( 0.708 -3.297 3.916) 5.168 19.607 ( -6.940 -2.589 -7.153) 10.297 19.780 ( -0.771 1.201 3.947) 4.197 19.810 ( -5.699 -0.440 -4.349) 7.183 19.832 ( -3.705 0.640 -2.915) 4.757 19.965 ( -0.441 -0.392 2.406) 2.477 20.124 ( 4.184 -4.246 -2.124) 6.328 20.413 ( -0.814 0.529 -0.824) 1.274 20.615 ( 5.853 -5.547 6.015) 10.060 21.098 ( -11.607 12.713 -14.332) 22.400 21.502 ( 9.908 12.180 13.058) 20.421 21.640 ( -15.787 -5.330 -15.210) 22.560 22.055 ( 5.325 -4.336 5.605) 8.864 22.166 ( -2.461 -1.672 -2.848) 4.119 22.226 ( -1.104 -3.377 -2.893) 4.582 22.285 ( 2.138 0.224 1.760) 2.778 22.409 ( 5.440 1.672 4.940) 7.536 22.551 ( 4.626 -2.560 3.907) 6.574 22.612 ( 1.436 0.995 0.328) 1.778 22.857 ( 9.109 -0.341 5.972) 10.898 23.003 ( 19.099 -6.249 17.332) 26.537 24.340 ( -15.191 12.913 -20.130) 28.332 24.729 ( 6.365 7.932 8.999) 13.580 24.987 ( -2.842 -0.184 -1.450) 3.196 25.034 ( -0.427 -1.616 1.469) 2.225 25.442 ( -11.100 -4.777 -8.642) 14.856 25.602 ( 3.308 4.305 -1.316) 5.586 25.789 ( -0.077 -8.831 -7.939) 11.875 25.913 ( 0.456 -15.547 11.465) 19.323 26.574 ( -5.387 0.340 -7.487) 9.230 26.721 ( -2.538 0.614 5.266) 5.878 27.038 ( 1.835 6.033 -0.772) 6.353 27.214 ( 5.819 4.308 5.234) 8.934 27.335 ( 0.790 -1.096 0.983) 1.670 27.451 ( 4.748 -0.421 -0.054) 4.767 27.780 ( 0.837 -0.167 2.279) 2.433 27.809 ( 3.774 -3.897 2.305) 5.895 28.161 ( -1.094 1.032 -2.007) 2.508 28.191 ( -0.064 0.931 3.549) 3.669 28.330 ( -0.977 -3.187 1.036) 3.490 28.361 ( 1.084 0.269 -0.797) 1.372 28.678 ( -12.096 -0.236 -13.428) 18.075 28.749 ( -6.484 -1.004 -2.596) 7.056 28.895 ( 0.611 2.166 2.438) 3.318 29.000 ( 5.296 1.657 0.025) 5.549 29.172 ( -7.561 -1.221 -5.703) 9.549 29.193 ( -15.270 -2.568 -7.474) 17.194 29.529 ( 11.374 2.983 9.969) 15.415 29.812 ( 6.684 -0.806 1.652) 6.932 29.877 ( -3.926 -0.060 -1.195) 4.104 29.997 ( -0.708 2.520 -1.947) 3.262 30.038 ( 7.690 -3.738 12.679) 15.293 30.275 ( 17.183 -7.924 3.536) 19.250 31.083 ( -9.135 2.742 -5.541) 11.030 31.251 ( -2.807 -4.141 -2.941) 5.803 31.766 ( 4.223 3.180 -0.030) 5.286 31.841 ( 2.532 1.058 -1.604) 3.179 32.120 ( -2.034 4.920 0.597) 5.357 32.138 ( -0.524 6.271 -1.928) 6.582 32.386 ( -1.310 -0.350 -3.467) 3.723 32.456 ( 0.286 -3.591 2.393) 4.325 32.854 ( -1.254 1.158 -5.782) 6.028 32.889 ( 0.527 -1.771 2.872) 3.415 33.064 ( -0.862 -2.172 5.014) 5.532 33.128 ( 2.701 -0.112 -0.433) 2.738 33.299 ( 0.152 -4.137 8.376) 9.343 33.321 ( 3.961 -10.114 -6.444) 12.629 34.285 ( -7.454 11.485 -3.063) 14.031 34.546 ( 7.843 -0.185 6.479) 10.175 38.434 ( -2.138 0.830 0.387) 2.326 38.500 ( 1.915 -1.263 0.216) 2.304 38.774 ( -1.972 -6.353 2.478) 7.098 38.819 ( 1.737 -9.623 -2.068) 9.994 39.702 ( -5.579 8.587 -1.544) 10.356 39.820 ( 1.177 6.650 1.524) 6.923 40.233 ( -6.516 13.556 1.467) 15.112 40.451 ( 6.223 8.087 1.934) 10.386 41.525 ( -3.425 -4.546 0.775) 5.744 41.582 ( 0.645 -5.407 -2.744) 6.098 42.116 ( -2.025 7.404 -0.308) 7.682 42.249 ( 6.969 3.210 -6.343) 9.955 42.535 ( -0.131 0.544 -2.259) 2.328 42.598 ( 3.485 -0.767 0.786) 3.654 43.436 ( -6.855 -13.876 0.178) 15.478 43.492 ( -4.204 -14.916 2.991) 15.783 ======================= Grid point 137 (71/84) ======================= q-point: ( 0.25 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -8.268 26.594 -10.732) 29.846 2.003 ( 5.923 17.315 -12.598) 22.217 2.104 ( -1.176 5.660 5.562) 8.022 2.450 ( -0.801 2.454 0.380) 2.609 2.523 ( -8.919 -5.934 1.182) 10.778 2.752 ( -5.397 -1.598 5.549) 7.904 2.842 ( -7.178 -0.531 -4.762) 8.630 2.938 ( 0.322 4.516 2.169) 5.020 3.055 ( 2.434 -5.037 0.470) 5.614 3.141 ( -10.921 -4.051 -9.953) 15.321 3.280 ( 7.928 -4.285 -3.332) 9.608 3.418 ( -6.317 0.448 3.710) 7.339 3.547 ( -5.509 -0.920 -0.289) 5.593 3.645 ( -2.137 -1.150 0.020) 2.427 3.730 ( -7.045 3.957 -0.810) 8.121 3.789 ( 2.212 -0.398 3.425) 4.097 3.946 ( 0.943 2.945 -7.178) 7.816 4.126 ( -4.955 -9.430 5.488) 11.983 4.142 ( -0.915 -0.105 3.398) 3.520 4.341 ( 3.839 1.863 -0.155) 4.270 4.533 ( 3.231 2.778 2.276) 4.831 4.672 ( -2.881 -0.571 -1.004) 3.104 4.826 ( 5.182 9.098 -7.339) 12.786 5.003 ( 1.767 8.545 5.055) 10.085 5.076 ( 1.525 0.362 2.405) 2.871 5.229 ( 0.390 1.306 -0.376) 1.414 5.323 ( 5.730 6.527 -1.785) 8.867 5.380 ( 1.597 3.851 2.820) 5.033 5.603 ( 1.177 -0.308 0.173) 1.229 5.744 ( 8.374 4.157 8.607) 12.708 5.788 ( 1.430 -0.513 -1.539) 2.162 5.806 ( -1.604 -0.036 -0.805) 1.795 5.928 ( 1.763 -5.523 0.075) 5.798 6.059 ( 3.838 -3.609 -2.594) 5.872 6.094 ( -6.772 1.940 -4.164) 8.183 6.204 ( -0.185 -0.846 3.019) 3.141 6.339 ( 1.721 3.008 0.974) 3.600 6.452 ( 0.246 0.279 2.084) 2.117 6.609 ( -1.637 -5.611 2.614) 6.403 6.658 ( -7.887 -7.228 0.643) 10.717 6.764 ( -9.734 -1.832 -7.730) 12.564 6.916 ( -4.255 -5.729 3.410) 7.909 7.018 ( -2.127 -4.362 0.772) 4.914 7.201 ( 2.277 -2.482 1.513) 3.693 7.311 ( -3.314 -1.998 -4.409) 5.866 7.472 ( 5.184 -8.957 -1.539) 10.463 7.630 ( 6.778 -2.901 6.158) 9.606 7.787 ( -6.224 -0.774 -6.145) 8.780 7.879 ( 1.800 -10.307 3.338) 10.982 8.034 ( -0.651 -2.759 -1.100) 3.041 8.113 ( -2.703 6.405 -1.714) 7.160 8.536 ( 2.142 1.256 -2.392) 3.448 8.760 ( -1.645 2.803 -1.026) 3.408 8.863 ( 2.051 4.070 0.848) 4.636 8.946 ( -2.386 -5.571 -2.777) 6.666 9.117 ( -2.869 0.795 3.149) 4.334 9.183 ( 3.998 8.770 9.811) 13.753 9.257 ( 1.757 -3.201 6.326) 7.304 9.597 ( 1.397 -11.963 -0.614) 12.060 9.693 ( 8.596 5.766 -1.851) 10.515 9.799 ( 1.476 -1.229 -3.737) 4.201 9.884 ( 3.134 -0.793 -1.271) 3.474 10.114 ( -0.552 0.995 4.980) 5.109 10.176 ( -1.041 2.330 -5.174) 5.769 10.328 ( -1.149 1.523 10.624) 10.794 10.518 ( 0.845 2.660 0.720) 2.882 10.568 ( 0.416 3.732 2.887) 4.737 10.809 ( 6.202 -3.971 -2.977) 7.943 10.913 ( 2.523 -1.100 -2.102) 3.463 11.046 ( 0.106 -1.922 0.069) 1.926 11.268 ( -4.363 5.763 -7.184) 10.191 11.387 ( -0.769 1.435 -1.428) 2.165 11.501 ( -6.478 3.983 -2.464) 7.993 11.631 ( 0.029 -7.158 2.905) 7.725 11.854 ( -4.874 0.122 1.633) 5.142 12.124 ( 1.282 -5.763 1.805) 6.174 12.280 ( -0.835 4.160 -5.107) 6.640 12.418 ( -1.691 7.363 0.419) 7.566 12.564 ( -3.139 -0.523 3.180) 4.499 12.645 ( 0.584 3.299 3.241) 4.662 12.759 ( 1.120 -1.848 -5.190) 5.622 12.947 ( -1.142 -3.069 -1.021) 3.430 13.053 ( -1.963 0.328 3.351) 3.897 13.168 ( -5.981 -2.647 0.244) 6.546 13.372 ( 2.946 2.408 0.296) 3.817 13.427 ( -3.633 -0.047 0.523) 3.671 13.718 ( 7.622 -0.006 -3.191) 8.263 13.926 ( 5.863 1.415 1.548) 6.227 14.165 ( -4.140 1.504 -2.341) 4.988 14.381 ( 1.454 -6.806 -2.119) 7.275 14.546 ( 1.935 5.554 0.711) 5.924 14.774 ( 2.173 -0.580 0.886) 2.417 14.963 ( -0.510 2.988 0.471) 3.068 15.088 ( -4.486 -4.582 -0.514) 6.433 15.268 ( 0.054 1.505 -5.170) 5.385 15.333 ( 1.421 2.818 11.476) 11.902 15.573 ( 0.949 -3.878 -0.954) 4.105 15.628 ( -4.856 5.259 -6.444) 9.631 15.813 ( 0.486 2.578 4.034) 4.812 15.941 ( 0.808 8.381 3.595) 9.155 16.316 ( 3.116 -6.649 0.902) 7.398 16.448 ( -0.704 -9.220 1.388) 9.351 16.670 ( 4.292 -2.450 1.410) 5.139 16.778 ( -4.114 -4.432 -5.213) 7.984 17.153 ( 4.283 10.732 -1.277) 11.626 17.453 ( -2.231 -2.104 -5.592) 6.378 17.496 ( 0.863 7.946 5.339) 9.612 17.689 ( -0.378 2.668 -1.540) 3.104 17.727 ( 3.417 3.198 1.215) 4.836 18.015 ( 3.300 -7.376 3.530) 8.818 18.164 ( 2.875 5.701 1.922) 6.668 18.214 ( 5.354 -5.438 2.178) 7.936 18.328 ( 1.050 -2.201 2.435) 3.446 18.425 ( 9.650 -9.012 14.016) 19.256 18.653 ( -5.872 2.491 -5.971) 8.737 18.758 ( -3.513 -0.016 -6.493) 7.383 19.054 ( -1.822 -2.515 0.760) 3.197 19.176 ( -3.819 1.174 -5.297) 6.635 19.210 ( -6.284 2.248 -4.422) 8.006 19.402 ( -8.474 -1.101 -5.443) 10.131 19.448 ( -3.191 -0.390 -0.563) 3.264 19.570 ( -5.186 -1.888 -4.230) 6.954 19.759 ( -1.470 1.481 -1.125) 2.370 19.859 ( 1.071 3.188 4.461) 5.587 20.002 ( 2.792 -2.044 -1.080) 3.625 20.144 ( 1.632 -0.334 -0.313) 1.695 20.537 ( 6.437 1.394 7.368) 9.883 20.675 ( -4.547 4.496 -2.709) 6.944 20.861 ( -1.714 1.507 -4.062) 4.659 21.311 ( -7.586 -5.476 -7.557) 12.026 21.692 ( 1.834 7.634 3.592) 8.634 22.067 ( 0.326 -1.467 -0.903) 1.754 22.122 ( -0.401 -5.319 -2.597) 5.933 22.244 ( 2.218 -0.726 0.447) 2.376 22.323 ( 1.166 1.353 0.377) 1.825 22.476 ( 1.942 3.981 1.079) 4.559 22.604 ( 0.825 0.632 -0.537) 1.170 22.705 ( 5.607 -7.413 -1.066) 9.355 23.208 ( 13.125 4.073 11.819) 18.126 23.589 ( 18.167 -9.371 14.286) 24.939 23.875 ( -8.325 14.890 -13.013) 21.456 24.640 ( -14.813 -5.778 -11.229) 19.465 24.924 ( -2.104 -0.112 -0.831) 2.265 25.027 ( -2.502 -2.004 -0.157) 3.209 25.204 ( -2.443 9.856 -2.276) 10.406 25.654 ( 3.749 5.588 0.396) 6.741 25.810 ( 4.599 -5.929 0.735) 7.540 26.002 ( -3.526 -10.712 8.629) 14.200 26.440 ( -2.813 -5.274 -4.354) 7.395 26.672 ( -4.537 -8.644 2.027) 9.971 27.140 ( 2.509 11.140 5.138) 12.522 27.309 ( -0.573 8.904 3.274) 9.504 27.407 ( 5.782 0.525 -1.330) 5.956 27.525 ( 5.681 -2.824 1.373) 6.491 27.781 ( -0.943 -0.436 -1.456) 1.789 27.970 ( 5.941 -3.222 7.027) 9.750 28.153 ( 1.168 0.662 0.775) 1.550 28.216 ( -3.021 -0.171 1.121) 3.227 28.311 ( 0.687 -1.733 -0.231) 1.879 28.349 ( -0.909 -2.115 -1.435) 2.712 28.395 ( -7.677 -4.869 -7.190) 11.591 28.538 ( -8.794 -1.013 -2.165) 9.113 28.876 ( -1.674 4.099 1.501) 4.675 28.957 ( -3.366 1.561 -1.480) 3.995 29.066 ( 2.832 2.778 -1.414) 4.212 29.229 ( 4.037 0.272 2.465) 4.738 29.624 ( -0.440 2.733 -1.838) 3.322 29.800 ( -0.781 -2.126 0.137) 2.269 29.916 ( -2.075 2.319 -0.485) 3.149 29.999 ( 2.923 2.395 2.570) 4.570 30.387 ( 8.276 -1.468 14.592) 16.839 30.537 ( 8.946 -5.954 7.523) 13.118 30.868 ( -9.738 5.872 -6.520) 13.108 31.151 ( 0.614 -4.400 -2.385) 5.042 31.770 ( -0.395 1.104 -8.779) 8.857 31.862 ( 6.658 -5.365 -3.043) 9.076 32.086 ( 3.108 5.013 0.776) 5.949 32.159 ( -0.251 5.591 0.037) 5.597 32.343 ( -1.140 -1.486 -1.912) 2.676 32.371 ( -6.297 -1.805 -5.809) 8.755 32.784 ( 0.024 0.696 -4.384) 4.439 32.927 ( 1.375 -1.247 0.827) 2.032 33.086 ( 0.308 -2.433 -0.069) 2.453 33.212 ( 0.785 2.138 7.405) 7.747 33.327 ( 5.371 -12.260 -4.308) 14.061 33.427 ( 0.691 -2.854 11.034) 11.418 34.136 ( -4.885 14.340 -6.946) 16.666 34.676 ( 2.786 -9.322 -0.866) 9.768 38.437 ( -0.875 3.236 4.203) 5.376 38.535 ( 1.021 -2.177 1.774) 2.989 38.732 ( -0.179 -7.911 -3.312) 8.578 38.895 ( -0.345 -5.934 8.906) 10.708 39.593 ( -5.620 7.708 -3.063) 10.019 39.823 ( -2.633 2.992 0.329) 3.999 40.183 ( -2.778 14.842 1.291) 15.155 40.524 ( 1.511 5.899 -0.848) 6.148 41.462 ( -2.550 -4.046 -2.388) 5.346 41.551 ( 0.547 -5.527 -3.227) 6.423 42.066 ( 0.229 7.545 -4.021) 8.552 42.272 ( 6.488 2.689 -5.878) 9.159 42.513 ( 0.927 1.470 -1.995) 2.646 42.658 ( 3.573 -1.441 -0.018) 3.852 43.322 ( -4.741 -9.700 -1.619) 10.917 43.461 ( -8.605 -11.792 6.021) 15.791 ======================= Grid point 138 (72/84) ======================= q-point: ( 0.38 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 16.042 16.491 8.209) 24.427 2.046 ( 9.648 17.035 -3.311) 19.855 2.178 ( 6.111 0.497 5.987) 8.569 2.386 ( -4.978 -1.695 -0.477) 5.280 2.434 ( -7.793 2.305 1.930) 8.353 2.620 ( -10.002 -9.030 2.964) 13.798 2.737 ( -9.701 5.242 -0.749) 11.052 2.863 ( 1.313 -5.115 -15.519) 16.393 2.984 ( 0.806 3.485 3.162) 4.774 3.115 ( 1.176 -3.916 0.125) 4.091 3.358 ( -3.606 2.105 1.723) 4.517 3.371 ( 0.718 -4.544 -2.404) 5.191 3.454 ( -3.269 -5.871 -2.716) 7.248 3.536 ( -4.329 0.714 -3.302) 5.491 3.571 ( -9.751 -0.165 -2.637) 10.102 3.852 ( -1.302 -8.687 2.852) 9.236 3.957 ( 4.100 15.303 2.415) 16.026 4.169 ( 3.450 -3.019 3.265) 5.628 4.181 ( 0.500 -2.352 1.604) 2.891 4.360 ( -2.828 1.782 -0.303) 3.356 4.596 ( 1.571 0.802 -2.815) 3.322 4.633 ( 3.099 -2.868 1.580) 4.508 4.832 ( 0.611 2.078 -1.572) 2.677 4.987 ( -6.312 0.445 -0.924) 6.394 5.093 ( 2.537 10.270 -0.106) 10.579 5.268 ( -1.539 -3.334 2.226) 4.294 5.373 ( 7.099 2.596 -4.796) 8.951 5.468 ( 5.752 -0.666 2.047) 6.141 5.582 ( -4.593 2.670 -7.805) 9.441 5.643 ( -1.813 2.971 3.597) 5.005 5.783 ( -1.365 2.703 -6.723) 7.374 5.888 ( -7.142 -0.073 4.098) 8.234 5.938 ( -2.007 -6.092 -1.273) 6.539 6.013 ( 5.900 2.063 -2.353) 6.679 6.154 ( 3.133 -3.885 5.633) 7.526 6.251 ( 5.952 -0.991 1.291) 6.170 6.343 ( -1.156 6.507 -3.544) 7.499 6.420 ( -3.640 -7.767 -1.462) 8.702 6.531 ( -4.625 -1.921 4.674) 6.850 6.615 ( -6.167 -7.053 2.208) 9.625 6.714 ( 5.168 -1.531 1.958) 5.735 6.865 ( -7.270 -0.171 1.118) 7.357 6.981 ( 2.372 -8.982 -3.803) 10.038 7.094 ( -9.073 -3.283 -1.850) 9.825 7.331 ( 5.548 -1.637 1.694) 6.028 7.562 ( 6.290 -7.392 0.663) 9.729 7.592 ( -8.789 -1.122 -7.498) 11.607 7.879 ( 8.548 0.035 5.625) 10.233 7.965 ( -0.262 -15.421 5.772) 16.468 8.037 ( -1.156 9.554 3.189) 10.138 8.049 ( 4.254 5.752 -1.277) 7.267 8.523 ( 2.065 -0.116 -3.603) 4.154 8.732 ( -0.892 5.803 2.311) 6.310 8.802 ( -4.528 -0.228 -7.220) 8.525 8.991 ( 2.219 1.797 2.778) 3.984 9.105 ( -1.035 0.180 1.357) 1.716 9.317 ( 0.248 8.623 8.337) 11.997 9.465 ( 6.081 -7.420 12.055) 15.406 9.628 ( 2.597 -8.436 2.607) 9.204 9.755 ( 1.489 1.839 -3.871) 4.537 9.816 ( 3.693 8.049 1.697) 9.017 9.936 ( 6.738 -0.633 -0.914) 6.829 10.093 ( -1.376 -2.843 0.379) 3.181 10.159 ( -2.212 2.498 -0.393) 3.360 10.345 ( -4.294 -4.895 1.244) 6.629 10.544 ( -4.165 2.619 -2.208) 5.393 10.603 ( 0.004 7.465 6.009) 9.583 10.834 ( 3.471 1.308 -1.439) 3.979 10.953 ( 4.491 3.829 -3.675) 6.952 11.026 ( 0.488 0.792 -3.239) 3.370 11.120 ( -3.189 6.675 -2.959) 7.968 11.309 ( -3.544 6.207 -6.215) 9.471 11.400 ( -3.862 -0.180 0.128) 3.868 11.605 ( -3.047 -4.555 -3.822) 6.682 11.837 ( -1.293 -2.984 3.499) 4.777 12.124 ( -2.948 -3.325 -2.105) 4.917 12.251 ( 2.781 -0.872 0.051) 2.915 12.472 ( 5.606 1.414 3.357) 6.685 12.502 ( -6.301 -4.447 -0.751) 7.749 12.677 ( -3.189 -2.550 3.969) 5.694 12.764 ( 4.646 -1.136 -0.408) 4.800 12.924 ( 0.375 0.668 -1.886) 2.036 13.076 ( -2.359 -3.261 3.965) 5.649 13.110 ( -2.000 1.592 0.742) 2.662 13.394 ( -1.361 1.278 1.403) 2.335 13.431 ( 1.922 4.168 1.798) 4.929 13.805 ( 8.124 1.864 -1.942) 8.558 13.959 ( -0.223 3.754 -2.410) 4.466 14.078 ( -3.380 1.819 -1.856) 4.264 14.353 ( 0.470 -4.197 -5.695) 7.090 14.563 ( -0.703 1.854 -0.667) 2.092 14.708 ( -3.619 -1.137 -3.534) 5.185 15.022 ( -0.129 -0.325 1.480) 1.521 15.075 ( 2.351 -0.292 3.611) 4.319 15.169 ( -3.124 4.786 -3.429) 6.665 15.438 ( -4.715 -3.127 -3.505) 6.656 15.555 ( 4.628 -1.489 9.436) 10.615 15.677 ( 7.125 -1.229 4.653) 8.598 15.895 ( 3.163 2.173 6.258) 7.341 15.993 ( -1.056 9.947 3.581) 10.624 16.332 ( -0.875 -5.087 -2.643) 5.799 16.434 ( -2.603 -6.342 -1.304) 6.978 16.644 ( -2.131 -3.685 -4.792) 6.409 16.756 ( 3.097 -5.257 1.133) 6.206 17.191 ( 2.478 9.938 -2.302) 10.498 17.393 ( 0.703 0.675 -0.302) 1.021 17.518 ( -2.824 6.852 -1.371) 7.537 17.661 ( -3.323 0.808 -5.093) 6.134 17.713 ( 2.207 -1.393 -0.348) 2.633 17.963 ( -7.503 0.994 -6.128) 9.738 18.127 ( 1.557 0.292 -1.448) 2.146 18.228 ( -0.720 -2.898 -2.233) 3.729 18.321 ( -8.808 -9.003 -9.859) 15.995 18.407 ( -7.459 -6.292 -0.753) 9.788 18.764 ( 6.010 2.736 7.677) 10.126 18.924 ( 5.500 3.899 6.124) 9.108 18.995 ( 3.107 -2.948 4.261) 6.041 19.174 ( 7.325 -2.192 5.956) 9.692 19.245 ( -2.121 2.056 -1.608) 3.363 19.288 ( 6.379 1.188 10.103) 12.007 19.400 ( 0.108 -1.895 -1.635) 2.505 19.523 ( 1.032 -2.689 2.295) 3.683 19.767 ( 1.709 2.185 1.556) 3.180 19.912 ( -0.379 0.301 0.800) 0.935 20.023 ( 0.819 0.726 1.426) 1.798 20.165 ( 1.801 2.360 -0.339) 2.988 20.471 ( -7.422 7.991 -8.380) 13.754 20.709 ( 0.682 -2.524 3.770) 4.588 20.855 ( 4.027 -0.509 0.806) 4.138 21.288 ( 6.920 -4.870 5.916) 10.324 21.650 ( -6.580 8.153 -5.374) 11.775 22.085 ( 1.694 0.080 0.822) 1.885 22.114 ( 2.010 -6.404 -0.222) 6.716 22.254 ( -0.463 -2.979 -1.509) 3.372 22.317 ( -1.652 3.221 -1.998) 4.134 22.507 ( 0.597 2.714 -0.241) 2.789 22.620 ( 1.208 0.524 0.084) 1.319 22.656 ( -4.106 -5.080 -9.949) 11.902 23.077 ( -11.033 2.503 -14.424) 18.331 23.480 ( -19.667 -9.896 -24.155) 32.682 24.068 ( 18.584 15.308 16.391) 29.127 24.700 ( 14.759 -8.255 18.082) 24.757 24.899 ( -1.166 1.177 -0.443) 1.715 24.981 ( -2.104 -0.292 -1.128) 2.405 25.161 ( -2.621 10.210 -1.118) 10.600 25.664 ( -1.175 0.407 -3.799) 3.998 25.903 ( 4.560 -5.892 3.479) 8.223 26.064 ( -2.754 -7.306 8.833) 11.789 26.406 ( 2.179 -2.329 0.244) 3.198 26.685 ( -1.223 -10.418 5.045) 11.640 27.191 ( -1.303 6.841 1.927) 7.226 27.233 ( -4.382 6.867 -4.550) 9.331 27.480 ( 4.086 1.690 -0.355) 4.436 27.622 ( 3.843 -4.615 -0.143) 6.007 27.719 ( -2.787 1.055 -2.553) 3.924 27.961 ( -7.183 -3.392 -6.388) 10.193 28.134 ( -0.450 3.816 -0.198) 3.847 28.200 ( -0.493 0.551 2.276) 2.393 28.325 ( -0.878 -3.449 0.004) 3.559 28.376 ( 4.424 -4.603 4.374) 7.739 28.509 ( 3.561 2.887 10.088) 11.081 28.526 ( 10.222 -0.656 9.150) 13.734 28.877 ( -2.031 3.188 1.210) 3.969 28.946 ( 1.006 -0.282 2.799) 2.988 29.073 ( 1.208 2.407 -1.869) 3.278 29.234 ( -3.008 0.339 -2.794) 4.120 29.602 ( 1.357 3.014 -1.285) 3.546 29.852 ( 2.610 -3.377 3.250) 5.365 29.906 ( 0.966 2.069 3.279) 3.996 30.004 ( -1.728 -0.061 -2.901) 3.377 30.262 ( -17.089 5.782 -9.014) 20.168 30.644 ( -6.607 -5.060 -3.665) 9.093 31.003 ( 14.651 2.709 16.866) 22.505 31.219 ( 6.575 -2.317 5.051) 8.609 31.681 ( 3.366 1.110 -7.920) 8.677 31.926 ( 7.441 -9.709 -3.019) 12.600 32.032 ( -5.008 6.883 -6.949) 10.988 32.162 ( -7.081 -0.402 -5.337) 8.876 32.220 ( 3.978 0.278 1.327) 4.203 32.349 ( -0.297 -1.598 -0.070) 1.627 32.735 ( 1.286 1.127 -3.865) 4.226 32.913 ( -2.631 -0.129 -2.404) 3.567 33.106 ( 0.816 -3.011 2.402) 3.937 33.280 ( 0.712 -4.494 0.386) 4.566 33.384 ( 3.725 -3.710 3.948) 6.575 33.592 ( 0.807 -2.494 14.027) 14.270 33.962 ( -4.020 13.528 -10.407) 17.535 34.567 ( -5.354 -12.125 -13.050) 18.601 38.510 ( 0.088 1.699 6.939) 7.144 38.585 ( 1.157 1.689 4.944) 5.351 38.696 ( 0.170 -7.725 -2.365) 8.081 38.996 ( -0.945 0.468 7.310) 7.386 39.469 ( -3.611 3.732 -4.325) 6.759 39.751 ( -3.867 0.412 -3.869) 5.486 40.174 ( -1.348 12.490 1.785) 12.689 40.456 ( -3.372 4.041 -6.688) 8.511 41.430 ( 0.406 -3.031 0.454) 3.092 41.539 ( 2.944 -5.981 -2.990) 7.306 42.046 ( 1.374 8.404 -1.025) 8.577 42.282 ( 6.158 3.503 -8.267) 10.887 42.523 ( 1.510 1.086 1.060) 2.141 42.688 ( 1.983 -1.096 -2.041) 3.050 43.286 ( -0.221 -7.226 1.714) 7.430 43.396 ( -9.229 -8.870 5.080) 13.772 ======================= Grid point 139 (73/84) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 15.984 10.202 7.898) 20.542 2.099 ( -1.728 13.714 0.719) 13.842 2.266 ( -13.333 -3.209 5.500) 14.776 2.325 ( -4.655 7.884 1.360) 9.256 2.413 ( 9.555 13.730 2.433) 16.903 2.539 ( 3.124 3.907 -10.129) 11.297 2.696 ( -1.120 -6.680 2.288) 7.150 2.746 ( 0.992 -1.584 -6.272) 6.544 3.021 ( 5.496 -2.002 1.239) 5.979 3.109 ( -3.507 -3.634 -1.676) 5.322 3.195 ( -10.399 -3.580 5.288) 12.203 3.355 ( 3.393 -4.940 -5.683) 8.259 3.379 ( -3.131 -3.248 -1.157) 4.658 3.410 ( -1.871 -5.659 -2.678) 6.534 3.646 ( 5.878 0.314 7.734) 9.720 3.816 ( -2.002 -4.494 -5.626) 7.474 4.068 ( 2.282 11.622 6.301) 13.416 4.185 ( 0.615 3.356 -2.202) 4.060 4.238 ( -1.586 -7.040 -0.088) 7.217 4.267 ( 1.651 1.973 -4.434) 5.126 4.628 ( 1.113 -3.255 2.983) 4.553 4.684 ( 1.502 -1.868 -1.207) 2.683 4.788 ( -3.346 -3.487 2.683) 5.527 4.878 ( -3.191 0.293 -3.673) 4.875 5.140 ( 1.559 2.117 2.381) 3.547 5.206 ( -4.706 -1.445 -3.379) 5.971 5.424 ( 1.806 -2.074 1.844) 3.311 5.509 ( 2.615 -4.066 -3.860) 6.186 5.549 ( -0.415 3.952 2.884) 4.910 5.633 ( -4.730 5.017 -2.122) 7.214 5.674 ( 3.390 4.221 -0.528) 5.440 5.821 ( -1.897 -4.781 -9.252) 10.586 5.914 ( -2.318 -0.830 10.987) 11.260 6.106 ( 5.554 -1.925 -1.392) 6.041 6.144 ( -2.569 2.103 -2.189) 3.977 6.254 ( 0.774 -9.089 -7.423) 11.761 6.367 ( -3.424 -4.986 1.281) 6.182 6.410 ( 7.523 -3.396 -0.678) 8.281 6.578 ( -1.598 -0.473 5.309) 5.565 6.621 ( 1.600 -3.360 4.536) 5.867 6.769 ( -2.138 0.993 2.016) 3.102 6.795 ( 1.056 -1.752 0.306) 2.068 6.954 ( -5.589 -0.595 2.423) 6.121 7.041 ( 4.784 -2.680 -2.625) 6.079 7.326 ( -4.054 -1.281 -5.607) 7.037 7.352 ( -2.835 -2.083 -5.474) 6.506 7.765 ( 6.201 3.704 9.734) 12.121 7.945 ( 1.959 5.955 -5.808) 8.546 8.016 ( -1.311 -6.371 5.237) 8.351 8.093 ( 3.984 4.874 -2.276) 6.694 8.201 ( 6.694 3.816 9.979) 12.607 8.428 ( -6.683 -1.662 -9.995) 12.138 8.710 ( -1.549 -0.806 0.670) 1.871 8.729 ( 0.783 -2.072 -1.047) 2.450 9.031 ( -0.746 2.739 4.088) 4.977 9.101 ( -0.583 0.705 -1.502) 1.759 9.423 ( 0.814 4.339 8.339) 9.436 9.582 ( -1.205 -0.625 -4.019) 4.242 9.714 ( -1.016 -3.003 7.785) 8.405 9.773 ( 2.470 1.032 7.199) 7.681 9.878 ( -0.537 1.244 -3.054) 3.341 9.952 ( 1.656 6.852 -3.171) 7.730 10.125 ( 2.394 -0.828 4.497) 5.161 10.203 ( 6.741 -4.850 1.535) 8.445 10.275 ( -2.931 0.181 -3.535) 4.596 10.332 ( -10.510 -1.276 -6.264) 12.301 10.679 ( -2.536 3.161 7.109) 8.183 10.832 ( 2.210 7.120 -5.453) 9.237 10.964 ( -0.194 1.391 0.412) 1.464 11.003 ( -1.346 -1.261 -2.933) 3.464 11.103 ( -1.145 8.898 4.032) 9.835 11.213 ( 0.919 8.212 -4.540) 9.429 11.381 ( 2.684 -2.948 1.328) 4.202 11.501 ( -0.120 0.521 -7.946) 7.964 11.904 ( 1.362 -4.572 5.717) 7.447 12.014 ( -3.647 -1.596 -4.638) 6.113 12.333 ( 3.754 -5.365 3.203) 7.289 12.387 ( -5.749 -6.195 -1.745) 8.630 12.614 ( 3.100 -0.031 3.439) 4.630 12.657 ( 0.207 -3.837 -0.299) 3.855 12.849 ( 4.655 -2.408 0.990) 5.334 12.887 ( -2.296 0.024 -2.106) 3.116 13.081 ( -2.270 -2.317 2.928) 4.370 13.122 ( 2.482 1.148 -0.537) 2.787 13.407 ( -1.756 4.457 3.910) 6.183 13.474 ( 2.526 4.421 -0.961) 5.182 13.859 ( -0.759 4.802 -0.499) 4.887 13.900 ( -1.081 5.528 -2.989) 6.377 14.066 ( 1.594 -1.411 3.836) 4.387 14.227 ( -2.855 2.630 -9.920) 10.653 14.566 ( 1.137 -3.649 2.704) 4.682 14.627 ( -2.659 -2.647 -2.703) 4.625 15.043 ( 0.522 1.844 1.822) 2.645 15.091 ( 0.236 3.466 -2.535) 4.301 15.180 ( 0.492 -1.005 5.584) 5.695 15.312 ( -1.832 -3.540 -6.346) 7.493 15.753 ( 2.718 -3.048 8.839) 9.737 15.842 ( 3.872 -2.477 2.024) 5.023 15.995 ( 0.417 6.571 4.484) 7.965 16.040 ( 1.797 1.260 4.558) 5.059 16.255 ( 0.165 -1.545 -3.327) 3.672 16.316 ( -6.204 -2.463 -6.274) 9.161 16.639 ( 3.128 -2.905 2.094) 4.755 16.726 ( -3.720 -3.429 -4.672) 6.886 17.227 ( 4.870 7.533 1.426) 9.083 17.313 ( -7.170 3.533 -6.162) 10.093 17.520 ( 5.397 1.251 7.464) 9.295 17.645 ( 2.061 2.091 0.062) 2.937 17.718 ( -2.734 0.052 -1.652) 3.195 17.789 ( -6.769 0.697 -7.809) 10.358 18.050 ( -2.242 -3.420 -2.639) 4.867 18.103 ( -1.842 1.987 -4.625) 5.360 18.262 ( 2.120 -10.284 3.567) 11.089 18.324 ( -3.250 -9.122 -1.758) 9.842 18.839 ( 3.819 3.676 3.359) 6.275 18.920 ( -5.687 1.143 -3.808) 6.939 19.113 ( 4.205 2.823 4.625) 6.858 19.193 ( -3.362 1.216 -3.025) 4.683 19.306 ( 2.437 -3.453 2.568) 4.945 19.392 ( 0.872 -5.080 -4.588) 6.901 19.604 ( 11.538 4.441 15.574) 19.885 19.770 ( 3.681 -3.742 5.989) 7.963 19.834 ( 3.041 2.999 3.868) 5.762 19.882 ( 0.859 0.974 -1.970) 2.360 20.008 ( -4.656 7.344 1.866) 8.894 20.154 ( -1.460 4.772 -6.683) 8.341 20.386 ( 5.061 -1.320 6.072) 8.014 20.597 ( -6.946 -8.913 -9.029) 14.464 21.081 ( 14.032 7.952 10.507) 19.249 21.351 ( -15.393 11.166 -13.763) 23.475 21.646 ( 18.637 -5.832 18.592) 26.963 22.049 ( -13.238 -6.577 -13.023) 19.700 22.159 ( 2.794 -1.531 2.620) 4.125 22.194 ( 1.758 -1.938 0.398) 2.647 22.227 ( -2.168 0.178 -3.641) 4.241 22.320 ( -8.942 -2.671 -10.960) 14.395 22.571 ( 1.298 2.621 0.777) 3.026 22.608 ( -1.928 2.512 -1.991) 3.740 22.893 ( -0.913 -3.720 -2.875) 4.790 22.961 ( -9.985 -5.115 -10.606) 15.439 24.545 ( 16.683 12.631 14.217) 25.298 24.773 ( -10.938 8.386 -7.236) 15.567 24.949 ( 1.293 -0.386 1.286) 1.864 24.965 ( -0.947 -1.254 -0.088) 1.574 25.286 ( 11.220 -3.139 11.357) 16.270 25.520 ( -6.804 -5.535 -9.590) 12.996 26.040 ( 6.163 -5.440 5.435) 9.855 26.085 ( -5.742 -5.719 2.518) 8.486 26.519 ( 7.340 0.869 6.260) 9.686 26.657 ( -5.867 -4.567 -3.704) 8.306 27.161 ( -1.439 -1.672 1.437) 2.632 27.203 ( 1.323 -0.718 -0.271) 1.529 27.511 ( 1.906 3.036 -1.261) 3.800 27.533 ( -5.477 -1.881 -3.781) 6.916 27.747 ( 1.381 -1.293 2.641) 3.249 27.816 ( -2.336 -1.418 -3.602) 4.521 28.155 ( 0.578 4.941 2.319) 5.489 28.199 ( -0.292 3.189 -0.652) 3.268 28.325 ( -0.411 -1.534 2.130) 2.657 28.378 ( -0.977 0.110 -2.053) 2.276 28.744 ( 2.977 2.518 6.314) 7.421 28.783 ( 5.295 1.564 2.176) 5.935 28.920 ( 6.137 -1.489 6.997) 9.426 28.994 ( -1.154 -2.855 0.726) 3.164 29.086 ( 3.994 1.984 1.225) 4.625 29.150 ( -3.496 -1.071 -1.638) 4.006 29.641 ( 2.289 6.619 2.588) 7.467 29.766 ( -9.963 5.308 -8.944) 14.402 29.919 ( 1.167 -1.545 4.520) 4.917 30.008 ( -3.236 -0.639 -3.188) 4.588 30.097 ( 5.013 -2.291 10.434) 11.800 30.416 ( -6.127 -10.843 -15.657) 20.007 31.287 ( 6.169 5.836 10.165) 13.246 31.534 ( 6.922 -1.248 14.137) 15.790 31.566 ( -1.240 2.570 -10.422) 10.806 31.860 ( -4.746 -4.731 -11.195) 13.047 31.968 ( 1.098 3.680 4.145) 5.651 32.086 ( -0.006 -0.612 -3.584) 3.636 32.256 ( 3.790 -3.905 -0.918) 5.519 32.282 ( -5.186 -3.948 -3.519) 7.407 32.766 ( 4.705 2.028 0.653) 5.164 32.809 ( -5.101 1.431 -3.249) 6.215 33.154 ( -1.062 -5.383 4.503) 7.098 33.259 ( 0.447 -6.786 -4.152) 7.968 33.520 ( 2.915 3.926 9.533) 10.714 33.741 ( -3.208 6.859 -5.147) 9.156 33.844 ( 2.373 -0.283 12.575) 12.800 34.255 ( -7.280 -7.890 -19.051) 21.868 38.573 ( -0.397 -4.637 4.155) 6.239 38.642 ( 0.088 -4.987 -1.539) 5.220 38.750 ( 1.289 8.108 11.284) 13.954 38.997 ( 1.369 10.132 -7.053) 12.421 39.444 ( -0.741 -3.795 5.726) 6.909 39.633 ( -0.293 -2.021 -8.589) 8.828 40.193 ( -0.870 8.698 4.283) 9.734 40.317 ( -2.213 4.492 -7.215) 8.782 41.461 ( -0.457 -3.769 3.088) 4.894 41.544 ( 2.696 -6.105 -3.783) 7.671 42.073 ( -0.117 8.982 3.368) 9.594 42.235 ( 4.014 5.681 -11.128) 13.123 42.577 ( 1.396 -0.068 3.491) 3.760 42.662 ( -0.351 -0.291 -3.818) 3.845 43.309 ( -7.654 -6.731 5.558) 11.610 43.361 ( 3.969 -7.818 0.721) 8.797 ======================= Grid point 140 (74/84) ======================= q-point: (-0.38 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -20.573 13.073 -10.880) 26.693 1.982 ( -14.910 16.626 3.034) 22.538 2.252 ( -1.213 10.264 1.195) 10.405 2.382 ( -2.035 3.056 -1.573) 3.995 2.467 ( 6.181 4.300 -0.266) 7.535 2.597 ( 2.485 -0.821 1.970) 3.276 2.733 ( 10.133 0.659 -2.890) 10.558 2.756 ( 3.055 0.055 -1.302) 3.321 2.999 ( 2.140 -2.933 -1.839) 4.070 3.126 ( 0.742 -3.160 3.404) 4.704 3.242 ( 1.320 -4.926 6.222) 8.045 3.355 ( 4.354 -3.347 2.826) 6.176 3.414 ( 5.846 -3.610 -0.266) 6.876 3.491 ( 9.414 -0.672 3.504) 10.067 3.619 ( -4.688 0.670 -7.704) 9.043 3.813 ( 0.592 -2.227 2.220) 3.200 4.085 ( -5.091 9.221 -2.233) 10.767 4.162 ( 3.583 8.619 -1.695) 9.487 4.235 ( 1.889 -7.275 -2.029) 7.785 4.329 ( 7.290 -3.263 2.446) 8.354 4.621 ( -4.965 -1.463 -2.608) 5.796 4.650 ( -1.050 -4.410 -1.072) 4.658 4.819 ( -1.064 -2.302 2.656) 3.673 4.895 ( 5.216 -0.189 4.447) 6.857 5.080 ( -5.367 2.011 0.528) 5.756 5.232 ( 3.039 -1.148 4.807) 5.802 5.363 ( -5.936 -3.392 -5.207) 8.594 5.467 ( -2.897 4.409 1.780) 5.568 5.574 ( -2.095 -2.116 3.385) 4.508 5.636 ( 2.257 -0.695 -3.462) 4.191 5.712 ( 3.708 7.597 -2.216) 8.740 5.829 ( 8.907 -0.126 4.951) 10.191 5.935 ( -9.122 -2.445 1.092) 9.507 6.097 ( 4.839 -1.592 -7.052) 8.699 6.150 ( 1.131 -10.536 7.876) 13.203 6.238 ( 1.852 2.678 -1.532) 3.599 6.315 ( -3.181 -2.529 -0.926) 4.168 6.450 ( 4.067 -4.936 -5.520) 8.448 6.620 ( 2.893 -0.304 1.950) 3.502 6.689 ( 3.565 -4.492 -4.653) 7.385 6.711 ( -5.100 -0.769 2.032) 5.544 6.862 ( 4.565 -1.977 1.231) 5.125 6.930 ( -2.574 -1.570 0.529) 3.061 7.068 ( 4.057 -0.922 1.329) 4.368 7.279 ( 0.538 -0.564 3.553) 3.638 7.441 ( 10.778 -3.798 4.755) 12.377 7.736 ( -10.979 2.814 -13.449) 17.588 7.873 ( -2.854 5.306 3.387) 6.911 8.025 ( -2.550 1.167 0.789) 2.913 8.096 ( 2.438 -3.483 -4.399) 6.118 8.189 ( -5.798 1.256 -8.188) 10.111 8.436 ( 3.812 -1.336 5.667) 6.959 8.654 ( -1.483 0.926 3.394) 3.818 8.798 ( 4.594 -1.861 -1.121) 5.082 9.019 ( -4.303 1.765 0.625) 4.693 9.107 ( 1.717 -0.449 0.893) 1.987 9.453 ( -3.345 3.709 -3.605) 6.160 9.547 ( -0.902 -0.198 3.541) 3.660 9.735 ( -5.296 3.471 1.247) 6.454 9.743 ( -5.781 -1.541 -5.492) 8.121 9.846 ( -1.662 5.288 0.537) 5.569 9.941 ( -1.125 0.058 -3.695) 3.863 10.077 ( -5.252 -1.278 -0.837) 5.469 10.170 ( 0.522 -3.024 0.174) 3.073 10.324 ( 6.682 -5.955 0.994) 9.006 10.434 ( 10.086 1.731 7.404) 12.631 10.696 ( -6.134 3.914 7.148) 10.200 10.750 ( -3.019 5.056 -4.921) 7.674 10.903 ( -4.723 1.591 0.157) 4.987 10.963 ( -3.845 0.179 0.659) 3.905 11.148 ( 0.446 8.420 1.370) 8.542 11.259 ( 8.615 7.088 -1.420) 11.246 11.426 ( 4.021 0.931 -5.658) 7.003 11.495 ( 5.827 -3.836 4.129) 8.106 11.889 ( -3.265 -4.219 -0.390) 5.350 12.060 ( 6.562 -0.056 3.316) 7.352 12.278 ( -4.908 -5.522 -1.561) 7.551 12.430 ( -0.332 -8.048 4.573) 9.262 12.568 ( -0.207 -1.375 -4.034) 4.267 12.739 ( 4.674 0.989 -1.087) 4.900 12.800 ( -4.120 -0.804 -2.752) 5.020 12.900 ( 1.489 -4.335 -0.562) 4.618 13.104 ( 2.034 0.725 1.406) 2.576 13.147 ( 2.666 -2.095 -1.920) 3.897 13.409 ( -3.065 3.991 1.359) 5.213 13.482 ( 2.442 5.966 -3.070) 7.140 13.788 ( -7.605 5.161 -0.062) 9.191 13.881 ( -1.601 2.513 3.210) 4.380 14.106 ( 1.104 5.687 -5.282) 7.840 14.183 ( 2.168 -1.577 7.970) 8.408 14.574 ( -0.557 -1.336 -1.290) 1.939 14.645 ( 3.500 -2.884 3.047) 5.464 15.061 ( 0.020 1.901 -1.918) 2.701 15.076 ( 1.101 3.413 1.137) 3.762 15.201 ( -2.494 -1.974 -2.718) 4.184 15.310 ( 5.165 -1.576 4.545) 7.058 15.711 ( -8.533 -0.310 -2.655) 8.942 15.834 ( -4.139 -4.200 -7.472) 9.518 16.024 ( 1.385 4.603 0.669) 4.853 16.036 ( -4.026 1.703 -5.071) 6.695 16.240 ( 2.947 -1.217 4.464) 5.485 16.354 ( 5.863 -4.397 5.175) 8.972 16.613 ( -2.957 -1.472 -2.204) 3.971 16.744 ( 3.073 -5.242 2.618) 6.617 17.165 ( -4.750 7.680 -1.211) 9.111 17.376 ( 7.995 4.647 5.252) 10.635 17.506 ( -5.804 2.038 -7.471) 9.677 17.585 ( -3.531 1.733 1.884) 4.362 17.750 ( -0.021 -0.862 -1.583) 1.803 17.837 ( 10.038 1.259 8.623) 13.292 18.048 ( 2.994 -0.290 5.947) 6.665 18.100 ( 2.676 -1.577 2.674) 4.098 18.209 ( -4.132 -7.401 0.107) 8.477 18.421 ( 8.115 -10.912 0.855) 13.625 18.816 ( -2.886 4.735 -1.875) 5.854 18.973 ( 6.152 0.494 4.038) 7.375 19.101 ( -2.891 2.874 -4.367) 5.974 19.217 ( 2.746 0.798 2.633) 3.887 19.283 ( -6.710 -2.692 -6.589) 9.782 19.352 ( -0.675 -5.609 1.130) 5.761 19.570 ( -10.294 4.650 -13.412) 17.535 19.762 ( -7.301 -3.706 -10.346) 13.194 19.806 ( -3.341 1.104 -0.571) 3.565 19.863 ( -0.315 1.321 0.817) 1.585 20.054 ( 0.372 7.915 0.787) 7.962 20.146 ( 4.614 4.337 3.918) 7.447 20.374 ( -2.932 0.949 -4.485) 5.442 20.628 ( 8.301 -9.357 8.903) 15.353 20.981 ( -11.898 7.192 -9.765) 16.989 21.456 ( 13.427 10.906 10.417) 20.192 21.554 ( -15.336 -5.068 -16.612) 23.170 22.101 ( 3.353 -4.644 3.430) 6.676 22.144 ( -2.680 -3.284 -2.679) 5.014 22.180 ( 3.776 -3.546 5.315) 7.421 22.232 ( 2.534 1.547 3.275) 4.420 22.365 ( 9.610 -3.169 9.628) 13.968 22.556 ( -1.477 2.815 -0.815) 3.282 22.614 ( 0.622 1.849 1.327) 2.359 22.865 ( 1.388 -1.604 5.222) 5.637 23.025 ( 12.618 -7.382 12.974) 19.546 24.410 ( -18.871 12.666 -13.990) 26.688 24.848 ( 6.737 6.037 4.791) 10.237 24.947 ( -0.367 -0.002 -1.052) 1.114 24.985 ( 0.537 -3.091 -1.307) 3.399 25.241 ( -8.539 -0.894 -11.115) 14.045 25.538 ( 5.851 -2.593 7.383) 9.771 25.971 ( -8.066 -4.083 -2.085) 9.278 26.178 ( 5.488 -9.598 -0.004) 11.056 26.468 ( -6.239 0.449 -5.492) 8.325 26.736 ( 7.757 -4.334 2.474) 9.223 27.099 ( -4.784 2.282 2.813) 6.000 27.261 ( 4.578 -3.343 -1.633) 5.899 27.451 ( -2.871 -0.732 2.049) 3.602 27.578 ( 2.135 -1.889 2.490) 3.786 27.698 ( -3.421 1.245 0.067) 3.642 27.861 ( 5.123 -1.313 2.137) 5.704 28.150 ( -1.309 4.485 -0.729) 4.729 28.231 ( 3.327 4.363 -0.215) 5.491 28.335 ( -0.615 -1.885 -0.015) 1.983 28.384 ( 2.119 0.982 1.481) 2.765 28.706 ( -6.717 -1.405 -4.902) 8.434 28.760 ( -7.836 3.056 -10.071) 13.121 28.878 ( -2.014 0.864 0.137) 2.196 29.036 ( 1.538 -1.795 -0.222) 2.374 29.048 ( -3.223 1.654 -4.319) 5.637 29.218 ( 5.785 -2.284 -0.355) 6.230 29.587 ( -3.643 3.561 0.674) 5.139 29.859 ( 10.372 5.719 7.442) 13.988 29.927 ( -3.503 -1.927 -3.145) 5.087 29.993 ( -0.891 -2.768 1.932) 3.492 30.169 ( 5.537 -1.172 -4.585) 7.284 30.421 ( 12.133 -4.883 13.262) 18.626 31.269 ( -9.430 6.518 -12.356) 16.855 31.499 ( 1.584 2.429 8.422) 8.907 31.537 ( -11.823 -3.377 -17.125) 21.082 31.802 ( -1.101 -8.016 8.847) 11.989 31.986 ( -1.489 3.375 -3.244) 4.913 32.071 ( 2.983 1.085 3.424) 4.669 32.212 ( -0.759 -1.419 1.290) 2.063 32.328 ( 3.557 -3.538 0.952) 5.106 32.694 ( -4.591 1.969 -0.342) 5.007 32.867 ( 4.493 -0.303 1.688) 4.809 33.154 ( -4.692 -5.899 1.394) 7.665 33.223 ( -0.089 -6.581 -0.725) 6.622 33.574 ( -2.003 6.269 -10.289) 12.214 33.704 ( 3.502 7.692 11.397) 14.189 33.932 ( -4.976 -3.194 -15.084) 16.201 34.161 ( 5.277 -7.745 21.628) 23.571 38.600 ( -0.812 -5.704 -0.493) 5.783 38.627 ( 0.858 -6.304 0.829) 6.416 38.774 ( -5.386 10.579 -4.506) 12.698 39.051 ( 13.126 11.916 -0.523) 17.736 39.448 ( -3.889 -3.538 -0.148) 5.259 39.651 ( 8.465 -2.330 1.988) 9.002 40.211 ( -2.043 6.577 -1.116) 6.977 40.289 ( 2.504 5.093 6.267) 8.455 41.475 ( -2.274 -4.237 2.502) 5.420 41.506 ( 0.011 -5.258 -5.710) 7.762 42.095 ( -3.162 7.990 0.604) 8.614 42.151 ( 1.107 8.200 -4.509) 9.423 42.594 ( -1.527 -0.218 -4.317) 4.585 42.631 ( -0.088 -1.161 2.967) 3.187 43.259 ( -6.504 -5.128 4.581) 9.465 43.459 ( 7.537 -9.537 -0.452) 12.164 ======================= Grid point 141 (75/84) ======================= q-point: (-0.25 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -5.694 26.570 -4.089) 27.479 1.793 ( -15.866 24.594 5.705) 29.818 2.207 ( 1.503 7.430 -4.872) 9.011 2.364 ( -1.911 4.081 5.757) 7.311 2.543 ( 4.819 -0.806 0.131) 4.888 2.658 ( -4.662 -1.560 11.113) 12.152 2.792 ( 6.272 0.431 3.619) 7.255 2.873 ( 4.910 -0.499 -1.099) 5.056 3.091 ( 10.237 3.138 -4.908) 11.779 3.117 ( 1.945 -4.110 -1.763) 4.877 3.259 ( -4.906 -5.817 -1.069) 7.684 3.472 ( 4.090 -4.344 3.284) 6.811 3.527 ( 2.909 2.725 6.594) 7.705 3.560 ( 6.385 3.388 -4.471) 8.499 3.696 ( 9.040 1.487 2.668) 9.542 3.834 ( 1.518 -1.532 3.374) 4.004 3.959 ( -3.987 2.513 -5.658) 7.364 4.176 ( -0.407 1.417 -1.977) 2.466 4.219 ( 3.447 1.532 -3.696) 5.281 4.416 ( 0.834 -5.889 -5.292) 7.961 4.536 ( -3.294 2.835 2.071) 4.814 4.632 ( 3.033 -5.549 0.097) 6.325 4.760 ( -7.229 4.101 -0.003) 8.311 5.026 ( 1.220 5.383 4.569) 7.165 5.088 ( 3.117 2.858 -1.134) 4.378 5.238 ( -5.772 1.171 1.137) 5.998 5.303 ( -0.538 -2.277 0.090) 2.341 5.439 ( -1.836 0.617 -4.423) 4.829 5.558 ( 2.148 2.086 6.282) 6.959 5.670 ( -4.191 -0.231 2.010) 4.654 5.753 ( -0.903 1.843 1.253) 2.405 5.855 ( 1.292 1.670 2.728) 3.450 5.972 ( 4.730 2.042 0.907) 5.231 6.097 ( -1.319 -1.158 -4.163) 4.519 6.126 ( -0.621 -8.719 -7.147) 11.291 6.234 ( -1.002 7.857 -0.331) 7.928 6.349 ( 2.018 4.576 2.438) 5.564 6.465 ( 6.057 -6.522 -3.167) 9.447 6.628 ( -3.419 1.426 0.711) 3.772 6.690 ( 5.687 -6.177 -1.018) 8.458 6.726 ( 6.428 -7.449 -2.952) 10.272 6.946 ( 4.618 -7.003 0.319) 8.395 6.985 ( 5.954 -3.939 3.064) 7.769 7.157 ( 2.762 -6.017 4.072) 7.773 7.275 ( -2.585 3.740 -1.863) 4.913 7.471 ( -6.750 -7.587 -2.411) 10.438 7.640 ( 4.565 -2.295 5.448) 7.469 7.787 ( -9.290 -0.841 -4.356) 10.295 8.003 ( -3.136 -1.076 -3.399) 4.748 8.029 ( 1.517 -2.600 -3.011) 4.258 8.115 ( 5.497 -3.161 -3.058) 7.040 8.455 ( -1.888 -2.463 4.209) 5.230 8.736 ( 0.933 4.382 1.206) 4.640 8.844 ( 3.679 5.329 2.216) 6.844 8.949 ( -3.941 -6.701 -2.485) 8.161 9.153 ( 3.975 0.034 0.267) 3.984 9.367 ( -1.949 5.961 -4.687) 7.829 9.440 ( -9.362 -5.972 -5.967) 12.606 9.592 ( -5.226 0.433 -5.025) 7.263 9.664 ( -4.638 4.547 1.119) 6.591 9.770 ( -8.360 0.558 -2.349) 8.701 9.867 ( 0.568 0.407 1.315) 1.489 10.087 ( 0.237 -2.954 3.104) 4.292 10.216 ( 2.870 3.239 -2.100) 4.810 10.418 ( 4.701 -5.732 0.002) 7.413 10.562 ( 0.487 -0.148 2.032) 2.095 10.631 ( -4.257 7.976 -5.093) 10.376 10.726 ( -6.424 -1.138 5.113) 8.289 10.860 ( -1.459 1.260 1.820) 2.651 10.978 ( 1.413 0.594 7.783) 7.933 11.131 ( -0.619 7.250 -0.450) 7.290 11.369 ( 6.116 2.847 0.242) 6.750 11.484 ( 6.340 -0.421 -0.510) 6.375 11.622 ( 3.907 -5.131 3.369) 7.276 11.881 ( 2.283 -2.475 -0.196) 3.373 12.173 ( 3.886 -1.349 -1.294) 4.312 12.208 ( -2.253 -0.634 1.049) 2.565 12.406 ( -3.085 -0.699 1.569) 3.531 12.595 ( 4.343 -3.229 -0.563) 5.441 12.706 ( -2.292 -1.787 -1.921) 3.484 12.746 ( -1.384 7.412 -2.787) 8.039 12.919 ( 3.433 -7.156 -0.532) 7.955 13.135 ( 1.478 -2.579 -3.084) 4.283 13.177 ( 4.862 0.861 -0.185) 4.941 13.368 ( -3.086 1.570 0.273) 3.473 13.474 ( 2.130 4.563 -3.212) 5.973 13.665 ( -8.588 2.622 1.199) 9.059 13.905 ( -2.941 2.963 3.632) 5.534 14.116 ( 2.841 5.751 0.777) 6.461 14.294 ( 0.133 -4.597 6.451) 7.922 14.550 ( -1.936 4.306 -0.329) 4.733 14.744 ( 4.581 -1.045 2.312) 5.237 15.023 ( -2.642 0.115 -3.115) 4.086 15.098 ( 2.561 0.361 -1.396) 2.938 15.169 ( 0.553 2.431 2.735) 3.701 15.472 ( 5.285 -0.701 6.675) 8.542 15.564 ( -4.699 2.239 -2.609) 5.823 15.624 ( -5.565 -1.351 -10.804) 12.228 15.912 ( -1.490 2.928 -4.607) 5.659 16.032 ( -0.202 3.552 -3.607) 5.067 16.325 ( 0.500 -3.951 1.059) 4.121 16.460 ( 2.453 -7.957 1.109) 8.400 16.634 ( 3.191 -3.157 6.151) 7.614 16.716 ( -4.738 -5.679 -2.932) 7.956 17.134 ( -2.679 10.167 1.459) 10.615 17.377 ( -1.331 0.082 -0.444) 1.405 17.529 ( -0.220 3.395 2.203) 4.053 17.667 ( -3.499 -3.006 0.212) 4.618 17.691 ( 8.656 7.665 5.625) 12.857 18.036 ( 6.379 1.215 1.532) 6.672 18.097 ( 0.421 1.250 3.100) 3.369 18.207 ( -0.430 -1.884 2.439) 3.112 18.360 ( 6.850 -5.351 7.179) 11.274 18.504 ( 5.571 -7.029 -0.031) 8.969 18.725 ( -10.166 3.973 -10.263) 14.982 18.882 ( -4.413 -1.895 -1.303) 4.976 18.989 ( -5.257 -3.052 -8.895) 10.773 19.145 ( -2.894 -1.930 -3.270) 4.774 19.274 ( 3.790 -0.780 3.357) 5.123 19.296 ( -3.081 4.368 -7.722) 9.392 19.382 ( 1.061 -4.468 3.844) 5.989 19.549 ( 1.699 -0.808 -2.322) 2.989 19.759 ( -0.776 1.885 -0.631) 2.134 19.908 ( 0.071 -0.574 2.534) 2.599 20.020 ( -3.043 4.676 -4.465) 7.145 20.142 ( -1.266 3.213 -0.422) 3.479 20.512 ( 8.759 7.833 8.967) 14.781 20.716 ( -5.980 1.968 -7.628) 9.890 20.825 ( 1.598 -6.689 2.963) 7.488 21.258 ( -3.283 -4.332 -4.021) 6.761 21.695 ( 4.691 7.551 3.134) 9.425 22.069 ( -1.401 0.046 -0.652) 1.546 22.082 ( -2.014 -6.039 0.098) 6.367 22.243 ( -0.637 -0.349 0.521) 0.894 22.312 ( 0.050 -0.610 1.737) 1.842 22.492 ( -1.194 2.952 -0.120) 3.187 22.585 ( -2.049 -1.419 1.742) 3.041 22.638 ( 1.637 -3.470 3.808) 5.405 23.121 ( 13.111 3.118 14.905) 20.094 23.530 ( 13.506 -10.946 18.356) 25.281 23.931 ( -18.214 14.220 -13.615) 26.820 24.668 ( -9.797 -8.797 -14.675) 19.716 24.916 ( 1.462 1.254 0.083) 1.928 25.010 ( 3.211 -0.568 1.240) 3.488 25.186 ( 1.343 10.812 0.409) 10.903 25.646 ( 0.034 3.637 2.264) 4.285 25.832 ( -7.823 -6.223 -0.835) 10.031 26.179 ( 2.843 -12.321 -7.082) 14.493 26.395 ( 0.590 -1.221 -0.164) 1.366 26.733 ( -0.760 -7.948 -4.017) 8.937 27.222 ( 5.897 7.157 7.913) 12.191 27.273 ( 2.209 3.601 -4.605) 6.249 27.424 ( -3.801 -0.281 -0.460) 3.839 27.546 ( -5.163 -5.423 0.317) 7.494 27.743 ( 3.098 1.909 1.537) 3.950 28.003 ( 5.868 -1.375 5.620) 8.241 28.130 ( -1.053 3.560 -0.239) 3.721 28.221 ( -1.420 -0.644 -2.279) 2.762 28.329 ( -0.469 -2.363 -1.342) 2.758 28.364 ( -1.820 -2.466 -3.261) 4.475 28.462 ( -8.825 -3.569 -8.857) 13.002 28.579 ( 2.790 5.468 -5.222) 8.059 28.907 ( 1.500 3.213 1.289) 3.773 28.955 ( -1.518 3.124 -2.871) 4.506 29.043 ( -0.948 -1.381 0.249) 1.693 29.246 ( -0.255 0.156 -0.555) 0.630 29.583 ( 0.584 1.728 1.399) 2.298 29.823 ( -3.349 -3.381 -1.865) 5.111 29.938 ( 1.100 3.298 -2.389) 4.218 30.018 ( 2.154 1.413 0.972) 2.754 30.446 ( 16.559 6.105 5.017) 18.348 30.741 ( 11.748 -1.945 4.587) 12.761 30.930 ( -15.331 2.759 -16.563) 22.738 31.152 ( -9.706 -3.863 -7.623) 12.932 31.568 ( -2.643 -1.556 7.633) 8.226 31.780 ( -7.761 -9.210 4.129) 12.732 32.029 ( 2.224 7.335 5.128) 9.222 32.185 ( -2.639 3.149 -1.941) 4.544 32.217 ( 7.201 -0.733 6.115) 9.476 32.349 ( -0.889 -1.291 -0.551) 1.662 32.693 ( 0.368 0.141 3.900) 3.920 32.920 ( -0.160 -3.044 1.346) 3.333 33.095 ( -2.810 -2.632 -0.370) 3.868 33.216 ( -3.367 -9.098 2.900) 10.125 33.428 ( -0.870 3.157 -10.141) 10.656 33.689 ( -2.443 -2.457 -12.730) 13.193 33.923 ( 4.040 11.690 11.750) 17.060 34.478 ( 0.877 -12.832 17.838) 21.992 38.563 ( -0.076 -3.619 -3.889) 5.313 38.624 ( -1.411 8.100 -8.231) 11.634 38.665 ( -0.399 -7.670 2.648) 8.124 39.127 ( 4.701 -0.964 -10.753) 11.775 39.506 ( 8.107 7.239 4.566) 11.789 39.802 ( 6.613 0.645 2.244) 7.013 40.188 ( -0.164 9.252 0.518) 9.268 40.441 ( 2.949 2.955 7.598) 8.670 41.428 ( -1.305 -2.779 -1.870) 3.595 41.478 ( -1.081 -4.076 3.167) 5.274 42.022 ( -2.189 7.900 -1.563) 8.345 42.156 ( -2.649 7.227 4.149) 8.745 42.528 ( -0.744 -0.213 -2.893) 2.995 42.644 ( -1.741 -2.164 1.274) 3.055 43.248 ( -3.324 -5.615 5.699) 8.663 43.552 ( 6.912 -11.455 -2.162) 13.552 ======================= Grid point 142 (76/84) ======================= q-point: (-0.12 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 4.351 30.329 8.858) 31.895 1.797 ( -0.794 25.457 18.895) 31.713 2.197 ( 3.567 8.953 -5.458) 11.076 2.429 ( -0.699 7.349 3.370) 8.115 2.603 ( 1.773 -4.786 3.416) 6.142 2.780 ( -0.783 -2.274 13.517) 13.729 2.823 ( -1.790 4.241 -2.200) 5.102 2.965 ( 4.426 -3.948 -0.290) 5.938 3.020 ( 1.482 -0.554 -1.392) 2.107 3.158 ( -6.751 -0.695 1.384) 6.926 3.338 ( 15.861 2.305 1.006) 16.059 3.546 ( 5.031 1.686 -1.172) 5.434 3.587 ( -3.004 -2.620 1.875) 4.405 3.626 ( 2.810 1.085 1.024) 3.182 3.761 ( -0.453 1.750 -0.662) 1.925 3.849 ( 1.879 0.690 -4.732) 5.137 3.926 ( 2.102 -3.040 2.100) 4.251 4.152 ( 0.298 -1.016 -1.072) 1.507 4.248 ( 4.138 1.350 -2.082) 4.825 4.353 ( 2.918 -6.333 -6.757) 9.710 4.497 ( -2.591 4.172 1.069) 5.026 4.654 ( -7.600 12.679 3.714) 15.242 4.760 ( 8.301 -2.888 0.832) 8.828 4.986 ( -5.743 6.563 -3.477) 9.388 5.061 ( -4.801 0.384 -2.104) 5.256 5.225 ( -3.242 0.546 -1.400) 3.573 5.238 ( 0.368 5.308 1.442) 5.513 5.411 ( 0.793 2.679 -2.257) 3.592 5.560 ( -3.738 1.849 0.691) 4.227 5.660 ( -3.387 1.374 1.524) 3.960 5.778 ( -3.141 -0.661 2.349) 3.977 5.847 ( 1.810 2.997 -9.045) 9.699 5.957 ( -2.610 -1.278 -6.350) 6.984 5.994 ( 0.749 -0.062 -1.021) 1.268 6.143 ( 3.718 0.382 3.521) 5.135 6.197 ( -1.906 2.264 1.242) 3.209 6.356 ( 1.107 -0.542 -2.670) 2.941 6.474 ( -0.339 -0.751 -2.555) 2.684 6.644 ( 3.544 -4.731 1.966) 6.230 6.719 ( 0.200 -12.227 -1.876) 12.372 6.856 ( 6.394 -2.823 3.356) 7.753 7.005 ( 1.231 -4.377 -3.984) 6.045 7.042 ( 0.573 -6.370 -1.017) 6.476 7.173 ( -2.381 -2.481 -3.450) 4.871 7.307 ( 0.240 -0.321 3.630) 3.652 7.459 ( 7.678 -5.210 3.836) 10.040 7.599 ( -2.056 -4.806 -2.031) 5.608 7.805 ( 3.638 -0.740 6.675) 7.638 7.862 ( -3.612 -7.733 -4.316) 9.564 8.056 ( 0.705 6.976 -1.059) 7.092 8.157 ( 4.368 -9.058 -0.594) 10.074 8.487 ( -2.169 -2.849 1.923) 4.064 8.754 ( -6.588 -1.116 -3.015) 7.330 8.829 ( 6.152 3.841 6.250) 9.574 9.009 ( 6.631 -5.215 1.458) 8.561 9.157 ( -10.648 -0.966 -9.878) 14.556 9.203 ( 3.146 -0.184 -2.495) 4.020 9.319 ( 1.765 7.080 -6.171) 9.556 9.514 ( -6.459 3.264 2.447) 7.639 9.607 ( -0.670 -5.973 0.205) 6.014 9.708 ( -3.781 -2.156 5.878) 7.314 9.873 ( -0.243 -1.633 -2.359) 2.880 10.110 ( -3.544 8.540 0.450) 9.257 10.183 ( 2.568 -2.482 -0.693) 3.638 10.432 ( -4.813 4.540 -11.599) 13.353 10.488 ( 1.311 -6.047 2.785) 6.785 10.584 ( -1.354 0.285 0.374) 1.433 10.644 ( -7.613 1.851 0.374) 7.843 10.922 ( 3.508 -2.348 3.214) 5.305 11.037 ( -0.644 -7.141 0.490) 7.187 11.228 ( 2.125 6.317 10.925) 12.798 11.409 ( 1.615 -0.284 -1.905) 2.514 11.561 ( 2.334 -0.218 0.335) 2.368 11.652 ( 0.071 -5.885 -1.653) 6.114 11.938 ( 5.206 0.714 0.142) 5.256 12.128 ( -1.561 -5.007 -3.659) 6.395 12.255 ( 1.113 5.336 4.343) 6.969 12.450 ( 3.426 7.055 2.716) 8.300 12.598 ( -4.664 1.598 -0.236) 4.936 12.653 ( 0.940 3.996 -6.755) 7.905 12.719 ( 0.931 2.324 3.434) 4.250 12.990 ( 4.232 -7.291 -0.607) 8.452 13.114 ( 2.951 -1.370 -2.392) 4.038 13.240 ( 2.359 0.857 -0.278) 2.525 13.346 ( 0.662 -0.941 0.735) 1.365 13.469 ( -0.591 -1.918 0.104) 2.010 13.597 ( -3.128 3.023 2.119) 4.839 13.847 ( -6.585 2.221 -1.561) 7.122 14.187 ( 2.682 3.462 3.665) 5.711 14.332 ( -2.536 -5.322 2.474) 6.394 14.531 ( -0.007 6.765 0.412) 6.777 14.755 ( -3.418 0.258 -3.739) 5.072 14.989 ( 3.313 1.488 0.604) 3.681 15.146 ( 3.704 -2.521 0.397) 4.499 15.215 ( -1.312 -0.995 3.527) 3.893 15.395 ( -4.230 2.237 -10.339) 11.392 15.521 ( -1.869 2.886 4.762) 5.873 15.669 ( 7.322 6.371 4.261) 10.600 15.863 ( 0.835 -1.843 -4.903) 5.304 15.961 ( -1.128 4.931 -4.590) 6.831 16.287 ( -2.558 -4.949 -1.908) 5.889 16.468 ( -0.155 -11.269 -1.784) 11.410 16.618 ( -3.508 -1.144 -0.331) 3.705 16.789 ( 3.694 -4.079 5.278) 7.625 17.091 ( -2.212 11.136 1.315) 11.429 17.424 ( 0.529 -1.576 4.896) 5.171 17.530 ( -0.302 4.888 -2.989) 5.737 17.673 ( -1.101 1.272 0.470) 1.747 17.698 ( -2.163 6.394 -1.731) 6.968 18.008 ( -1.899 -4.447 -4.193) 6.400 18.132 ( -4.655 6.030 -3.029) 8.198 18.147 ( -7.784 -4.004 -5.346) 10.257 18.298 ( -7.378 -1.507 -5.860) 9.542 18.454 ( -2.282 -10.740 -10.481) 15.180 18.669 ( 2.402 4.476 2.812) 5.806 18.796 ( 13.225 -0.560 13.345) 18.797 19.074 ( -1.562 -2.525 -3.002) 4.223 19.175 ( 1.895 3.049 3.500) 5.014 19.258 ( 5.796 -0.027 5.426) 7.940 19.463 ( 4.834 -2.056 5.715) 7.762 19.488 ( 6.063 -3.792 3.600) 8.006 19.616 ( 7.921 -0.438 7.242) 10.742 19.783 ( 3.089 1.773 1.533) 3.877 19.897 ( -0.226 4.568 -6.196) 7.701 19.940 ( -2.936 -1.353 3.044) 4.440 20.120 ( -1.424 1.257 -0.455) 1.953 20.502 ( -7.546 1.053 -7.753) 10.870 20.718 ( 2.922 1.496 0.043) 3.283 20.847 ( 2.644 3.267 6.098) 7.406 21.361 ( 9.852 -5.293 9.984) 14.992 21.696 ( -3.030 8.165 -4.961) 10.023 22.060 ( 0.797 -2.093 1.435) 2.660 22.108 ( 1.407 -4.583 3.342) 5.844 22.215 ( -2.323 0.886 -0.857) 2.630 22.302 ( -2.019 -1.405 -0.249) 2.472 22.463 ( -1.269 3.867 -1.334) 4.283 22.581 ( -1.042 -0.800 2.231) 2.589 22.627 ( -4.410 -5.004 -1.582) 6.855 23.110 ( -16.222 3.878 -14.339) 21.995 23.437 ( -21.988 -10.110 -18.304) 30.344 23.908 ( 14.949 13.996 17.893) 27.194 24.749 ( 11.989 -4.754 8.433) 15.410 24.949 ( 2.624 -0.456 1.507) 3.060 25.059 ( 1.220 -2.515 -0.403) 2.824 25.215 ( 3.833 8.016 5.308) 10.350 25.606 ( -4.028 5.354 -1.242) 6.814 25.732 ( -5.443 -4.073 0.582) 6.823 26.129 ( 2.906 -15.195 -8.456) 17.630 26.451 ( 3.477 -2.104 3.628) 5.448 26.740 ( 4.214 -5.619 1.786) 7.247 27.145 ( -6.987 9.296 -10.206) 15.472 27.313 ( -1.892 1.398 -0.018) 2.353 27.352 ( -1.813 1.788 -2.185) 3.356 27.475 ( -2.865 -1.573 -2.124) 3.898 27.766 ( -1.387 -1.209 0.594) 1.933 27.951 ( -5.472 -1.720 -7.361) 9.332 28.146 ( -0.223 1.167 0.090) 1.191 28.282 ( 5.375 -1.167 0.313) 5.510 28.304 ( 0.485 -0.598 0.904) 1.188 28.349 ( 0.336 -0.877 0.313) 0.990 28.437 ( 6.549 -0.655 6.491) 9.244 28.666 ( 10.855 -3.154 3.343) 11.788 28.924 ( 2.565 3.655 -0.296) 4.476 28.979 ( 3.555 1.219 4.098) 5.560 29.012 ( -2.651 -0.007 -0.123) 2.654 29.208 ( -0.496 0.489 -1.387) 1.552 29.613 ( -0.528 2.339 0.665) 2.488 29.817 ( 1.323 -2.735 0.993) 3.196 29.934 ( -0.955 3.234 -2.864) 4.424 29.997 ( -0.416 5.602 -3.018) 6.377 30.375 ( -11.979 -1.425 -15.860) 19.926 30.456 ( -15.993 -4.814 -16.492) 23.473 30.981 ( 12.563 3.251 4.551) 13.752 31.163 ( 6.938 -2.529 4.942) 8.885 31.697 ( 1.070 -1.516 10.654) 10.814 31.741 ( -4.697 -2.739 4.127) 6.826 32.052 ( -0.854 5.634 2.035) 6.050 32.169 ( 0.527 5.643 -0.787) 5.722 32.318 ( -1.927 0.024 1.961) 2.750 32.403 ( 5.180 -2.264 6.045) 8.276 32.748 ( -0.263 0.371 3.882) 3.909 32.913 ( -1.329 -4.138 0.853) 4.429 33.068 ( -1.485 -2.246 0.493) 2.738 33.201 ( -4.026 -8.886 4.096) 10.581 33.288 ( -1.315 1.601 -10.027) 10.239 33.514 ( -1.003 -3.085 -11.240) 11.699 34.126 ( 4.412 11.712 10.810) 16.537 34.570 ( -7.905 -7.786 5.802) 12.521 38.502 ( 1.450 3.854 -6.094) 7.354 38.536 ( -1.596 -1.422 -2.936) 3.632 38.695 ( -0.538 -7.799 3.077) 8.401 39.017 ( 1.950 -7.168 -12.550) 14.584 39.668 ( 7.620 9.844 1.064) 12.494 39.865 ( 1.158 4.062 -2.056) 4.697 40.224 ( 3.011 10.564 2.121) 11.188 40.457 ( -7.335 7.305 0.822) 10.384 41.457 ( 0.711 -3.838 4.235) 5.760 41.556 ( 5.045 -5.370 2.982) 7.949 42.028 ( 0.411 6.386 4.664) 7.919 42.174 ( 0.113 6.047 2.447) 6.524 42.509 ( 0.852 -0.043 -0.314) 0.909 42.618 ( -2.046 -2.004 -0.618) 2.930 43.309 ( -0.760 -10.459 8.806) 13.694 43.597 ( 3.811 -13.595 -3.577) 14.565 ======================= Grid point 143 (77/84) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -0.543 19.979 7.739) 21.433 2.258 ( -3.796 10.499 1.869) 11.319 2.444 ( 3.210 4.717 5.457) 7.895 2.519 ( -0.576 -8.426 -0.800) 8.484 2.602 ( -1.121 6.989 0.339) 7.087 2.672 ( 0.690 6.142 -4.243) 7.497 2.818 ( 1.000 -10.948 6.477) 12.760 2.907 ( 3.579 -12.773 -2.165) 13.440 3.097 ( -2.398 6.327 3.555) 7.643 3.153 ( 1.386 2.654 0.304) 3.009 3.435 ( -1.976 -0.106 -1.262) 2.347 3.517 ( -1.285 -5.056 -4.434) 6.847 3.652 ( 1.406 1.814 3.391) 4.095 3.676 ( -3.304 -0.948 2.336) 4.156 3.796 ( 6.065 4.782 1.153) 7.809 3.877 ( 1.896 -3.082 -4.527) 5.795 4.040 ( 2.729 3.403 5.064) 6.683 4.089 ( -1.926 -0.787 3.887) 4.409 4.197 ( -0.332 1.418 -7.585) 7.724 4.247 ( 1.734 -2.199 -6.498) 7.076 4.642 ( -0.321 6.735 6.664) 9.481 4.747 ( -2.458 -0.122 -1.659) 2.968 4.879 ( 2.848 2.689 1.671) 4.258 4.929 ( -8.507 0.987 -2.306) 8.869 5.149 ( -2.831 8.110 10.426) 13.509 5.256 ( -1.586 -1.859 2.114) 3.231 5.354 ( 1.479 5.463 3.236) 6.519 5.436 ( 2.833 -4.374 -2.512) 5.785 5.531 ( -1.558 5.806 -4.000) 7.221 5.613 ( -3.130 4.249 -6.782) 8.594 5.753 ( 3.015 7.331 -2.367) 8.273 5.804 ( -4.772 8.134 -3.623) 10.102 5.932 ( 4.134 -4.702 1.911) 6.546 5.983 ( 4.396 -0.283 -2.012) 4.843 6.069 ( -2.628 -14.847 -0.563) 15.088 6.150 ( 5.342 -15.250 -2.812) 16.402 6.329 ( 1.128 2.036 1.873) 2.988 6.359 ( -1.976 1.260 1.577) 2.825 6.522 ( -3.951 -1.976 -3.309) 5.519 6.637 ( -3.231 -10.646 -10.649) 15.401 6.789 ( 6.293 5.678 1.583) 8.623 6.836 ( -5.064 1.842 -1.245) 5.531 6.959 ( -4.283 -4.068 -0.330) 5.917 6.997 ( 2.359 -8.000 -2.283) 8.648 7.436 ( -0.074 1.056 2.213) 2.453 7.448 ( -3.122 -0.505 0.818) 3.267 7.661 ( 5.753 -1.534 2.461) 6.443 7.669 ( 1.074 -2.709 1.434) 3.248 8.059 ( 10.076 7.090 6.205) 13.795 8.156 ( -5.051 3.307 -1.965) 6.349 8.221 ( 10.345 -0.730 5.553) 11.763 8.332 ( -7.818 -6.115 -3.247) 10.443 8.721 ( 1.069 0.341 3.003) 3.205 8.770 ( -0.284 -5.019 -0.129) 5.029 9.001 ( -3.515 3.682 -1.690) 5.364 9.076 ( -4.495 -2.148 -7.105) 8.678 9.223 ( 7.725 3.676 4.632) 9.729 9.338 ( 1.509 -6.182 -3.973) 7.503 9.463 ( -7.546 3.924 0.138) 8.507 9.525 ( 3.097 -0.997 -3.724) 4.945 9.759 ( -1.083 5.115 5.034) 7.258 9.838 ( 2.038 1.458 -0.820) 2.636 10.027 ( -3.993 -10.369 -2.271) 11.341 10.068 ( 3.145 -7.751 -6.634) 10.676 10.454 ( -0.511 8.194 6.202) 10.289 10.548 ( -1.730 5.936 1.188) 6.296 10.558 ( -1.773 0.518 0.048) 1.848 10.629 ( 0.876 3.563 -4.210) 5.585 10.865 ( -2.932 -6.274 1.063) 7.006 10.892 ( 2.743 -7.062 -1.282) 7.683 11.372 ( -2.294 2.546 3.289) 4.750 11.403 ( 0.643 -0.638 0.199) 0.927 11.576 ( 0.508 0.350 2.348) 2.427 11.597 ( -0.051 -1.749 0.571) 1.841 11.996 ( 0.427 -0.750 -0.902) 1.248 12.005 ( -0.037 -1.764 -1.740) 2.478 12.511 ( -0.232 7.604 7.935) 10.993 12.558 ( -4.244 2.642 4.833) 6.953 12.634 ( 3.585 4.761 -3.610) 6.968 12.698 ( 2.918 3.194 -7.746) 8.872 12.866 ( 0.037 3.689 4.054) 5.481 12.925 ( 1.212 -2.806 -0.206) 3.063 13.123 ( 1.982 -1.734 4.086) 4.861 13.187 ( -3.108 -6.432 -0.834) 7.192 13.340 ( 0.386 0.108 -0.048) 0.404 13.370 ( 1.497 -2.631 -2.040) 3.650 13.681 ( 0.984 2.601 -0.776) 2.887 13.719 ( -3.654 -0.974 -3.770) 5.340 14.266 ( -0.676 0.825 2.542) 2.757 14.295 ( 2.198 -1.796 0.600) 2.901 14.605 ( -1.042 2.134 -1.428) 2.771 14.631 ( -3.241 -0.579 -3.587) 4.869 15.076 ( 2.343 -1.195 2.278) 3.480 15.104 ( -0.015 -4.062 -0.135) 4.064 15.250 ( -0.457 5.673 -0.020) 5.692 15.296 ( -1.255 1.551 -4.290) 4.732 15.617 ( 2.678 -0.482 2.271) 3.544 15.671 ( 0.885 -6.144 -2.605) 6.732 15.963 ( -1.174 8.409 0.328) 8.497 16.004 ( -1.163 4.924 -3.154) 5.962 16.174 ( 0.903 -5.155 0.810) 5.296 16.204 ( -1.758 -7.850 -1.764) 8.235 16.749 ( 3.505 5.385 6.414) 9.079 16.813 ( -0.053 -0.193 1.596) 1.609 17.316 ( 1.195 6.941 3.825) 8.015 17.424 ( -2.671 -3.565 -2.233) 4.983 17.595 ( -1.150 8.045 -2.483) 8.497 17.643 ( -6.872 4.548 -7.128) 10.895 17.701 ( 5.014 -2.616 6.943) 8.955 17.784 ( 2.831 -8.236 7.698) 11.623 17.937 ( -5.292 1.571 -9.381) 10.885 18.026 ( -6.685 -5.715 -9.378) 12.857 18.196 ( -0.271 -0.313 0.956) 1.041 18.226 ( 1.228 -3.811 -2.184) 4.561 18.830 ( 1.848 3.947 1.987) 4.790 18.889 ( -1.167 -2.155 -3.154) 3.994 19.263 ( 5.308 2.830 8.136) 10.118 19.315 ( 0.102 -1.073 3.634) 3.791 19.351 ( 1.596 3.395 3.181) 4.919 19.424 ( 1.644 -3.266 -1.789) 4.071 19.710 ( 9.154 6.509 7.507) 13.510 19.804 ( -1.866 -0.581 1.586) 2.517 19.827 ( 1.665 0.514 3.412) 3.832 19.882 ( -1.366 -2.005 0.867) 2.576 19.966 ( 0.840 2.660 -1.180) 3.029 20.037 ( 1.665 -4.005 -5.737) 7.192 20.392 ( -2.625 1.473 -0.641) 3.078 20.473 ( -4.805 -6.143 -6.556) 10.189 21.380 ( 12.787 11.672 15.760) 23.412 21.565 ( 10.812 -7.168 11.890) 17.597 21.715 ( -5.723 8.797 -7.283) 12.774 21.890 ( -8.118 -9.006 -9.737) 15.550 22.164 ( 4.239 -0.284 5.114) 6.648 22.173 ( 3.297 -1.392 5.008) 6.155 22.279 ( -4.964 1.969 -3.675) 6.483 22.330 ( -8.107 -3.033 -6.897) 11.067 22.581 ( 3.411 3.392 2.269) 5.319 22.620 ( 0.232 0.310 0.728) 0.825 22.771 ( -9.428 -0.055 -7.901) 12.301 22.810 ( -10.210 -3.833 -9.842) 14.690 24.643 ( 12.434 14.811 16.155) 25.198 24.864 ( 2.694 -0.857 1.391) 3.151 24.963 ( 0.505 -2.075 0.696) 2.246 25.007 ( -1.070 -1.993 -1.064) 2.500 25.361 ( 0.673 -0.954 2.358) 2.631 25.490 ( -5.268 -9.354 -5.883) 12.241 25.713 ( 1.332 1.541 -0.450) 2.086 25.761 ( -0.837 -5.563 -5.535) 7.892 26.685 ( 6.771 6.034 7.575) 11.817 26.777 ( 3.606 -2.981 1.466) 4.903 27.084 ( -5.102 4.158 -2.137) 6.920 27.151 ( -6.087 -3.039 -5.877) 8.990 27.375 ( -1.035 2.374 2.152) 3.367 27.416 ( -1.093 -0.731 -0.985) 1.643 27.728 ( -0.922 0.816 -0.423) 1.301 27.771 ( -0.358 -3.067 -3.977) 5.035 28.197 ( 1.020 3.043 0.803) 3.308 28.248 ( -0.998 -0.263 -2.105) 2.344 28.285 ( 0.013 -0.514 -1.769) 1.843 28.332 ( -0.714 -2.897 -3.834) 4.858 28.757 ( 8.771 2.309 9.155) 12.887 28.805 ( 6.626 -1.944 4.163) 8.063 28.938 ( -3.272 2.876 0.924) 4.453 28.964 ( -0.428 0.235 -0.794) 0.932 29.205 ( 9.461 -0.688 6.982) 11.779 29.240 ( 11.044 -4.847 6.480) 13.691 29.507 ( -12.017 3.721 -10.796) 16.577 29.598 ( -15.408 -5.478 -12.663) 20.683 29.912 ( -1.008 1.286 -1.834) 2.457 29.952 ( -4.610 -3.022 -6.748) 8.713 30.120 ( 1.868 2.786 -0.657) 3.418 30.141 ( -0.865 0.569 -3.042) 3.213 31.188 ( 4.771 0.474 0.934) 4.885 31.208 ( 0.943 -1.639 -0.643) 1.998 31.763 ( 1.742 0.245 4.534) 4.863 31.775 ( -1.174 -1.156 3.619) 3.976 32.210 ( 1.541 4.196 4.374) 6.254 32.241 ( 0.590 1.719 1.725) 2.506 32.373 ( 0.164 1.331 2.626) 2.949 32.411 ( -0.081 -2.492 -0.059) 2.494 32.839 ( -0.794 2.464 5.371) 5.962 32.880 ( -0.667 -1.316 2.826) 3.187 33.021 ( -0.210 -0.071 1.276) 1.295 33.074 ( 1.199 -5.155 -0.385) 5.307 33.214 ( -0.441 2.896 -6.794) 7.399 33.287 ( -0.844 -4.587 -9.905) 10.948 34.441 ( 0.620 4.293 7.203) 8.408 34.484 ( -3.011 -0.294 3.533) 4.651 38.496 ( -0.654 3.021 0.600) 3.148 38.561 ( 0.623 6.849 -6.182) 9.248 38.590 ( -0.410 -6.712 3.248) 7.468 38.717 ( 0.465 -9.389 -9.012) 13.023 39.882 ( 1.952 3.574 -0.033) 4.072 39.896 ( -1.270 2.088 -1.265) 2.752 40.469 ( 0.894 5.166 3.759) 6.451 40.487 ( -3.902 3.725 2.145) 5.805 41.476 ( -0.063 -0.103 2.601) 2.604 41.513 ( 0.798 -3.847 -0.482) 3.958 42.205 ( 1.191 4.369 3.757) 5.885 42.258 ( 3.263 -0.760 -0.622) 3.407 42.548 ( 1.282 1.308 0.479) 1.893 42.568 ( 0.608 -0.577 -1.121) 1.400 43.241 ( -2.257 -2.528 4.007) 5.248 43.318 ( -1.357 -9.911 -3.073) 10.465 ======================= Grid point 144 (78/84) ======================= q-point: ( 0.12 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( -3.652 16.435 -5.169) 17.611 2.257 ( 2.012 17.113 6.010) 18.249 2.418 ( -7.505 -0.685 -3.976) 8.521 2.496 ( -0.909 -3.567 2.209) 4.292 2.592 ( -1.965 7.181 0.207) 7.448 2.682 ( 2.707 1.795 -0.284) 3.260 2.826 ( -4.298 -10.481 -1.335) 11.407 2.908 ( 2.610 -10.479 -4.411) 11.665 3.071 ( -3.739 8.266 0.058) 9.072 3.188 ( 2.342 -0.023 -0.703) 2.446 3.384 ( -10.289 1.145 -0.064) 10.353 3.447 ( -5.424 -2.906 6.666) 9.072 3.574 ( -8.125 -0.419 -1.641) 8.300 3.635 ( -5.970 -4.276 -0.961) 7.406 3.795 ( 0.928 3.767 -4.835) 6.199 3.851 ( -0.381 -0.532 -0.346) 0.740 4.008 ( -5.329 -0.045 -1.874) 5.649 4.045 ( -9.149 -4.032 0.868) 10.036 4.204 ( 5.515 5.863 1.105) 8.125 4.266 ( 6.752 -0.891 -0.462) 6.826 4.595 ( -6.165 5.386 1.325) 8.293 4.731 ( -6.877 -7.195 2.392) 10.236 4.865 ( 3.175 10.378 -1.100) 10.908 4.998 ( 5.358 0.785 6.620) 8.553 5.181 ( -4.458 5.823 -0.471) 7.349 5.266 ( -0.781 -0.527 1.127) 1.469 5.383 ( 1.342 4.225 4.016) 5.982 5.467 ( 4.953 -3.712 -1.503) 6.369 5.522 ( 3.860 4.483 -2.175) 6.303 5.609 ( 1.218 -4.004 6.989) 8.147 5.680 ( 1.847 15.175 -1.009) 15.321 5.908 ( 7.782 6.056 -0.665) 9.883 5.941 ( -0.712 0.587 -5.902) 5.973 5.981 ( 3.252 -4.780 -5.048) 7.675 6.047 ( -3.019 -12.512 4.002) 13.479 6.136 ( 1.564 -9.892 -5.737) 11.541 6.307 ( -1.169 2.940 1.567) 3.531 6.391 ( -0.564 -3.704 1.135) 3.915 6.536 ( 1.806 -5.348 3.159) 6.469 6.573 ( 0.013 -9.605 6.653) 11.684 6.723 ( -4.551 4.050 -2.273) 6.502 6.828 ( -5.218 -6.021 -0.250) 7.972 6.989 ( 9.808 5.135 3.987) 11.768 7.088 ( 5.973 -3.389 -0.850) 6.920 7.409 ( -2.324 2.375 1.784) 3.772 7.463 ( -0.513 -3.261 2.102) 3.914 7.614 ( -5.609 3.376 -6.395) 9.152 7.699 ( -0.736 -6.405 -3.672) 7.419 7.976 ( -5.960 3.451 -4.008) 7.968 8.050 ( -13.866 -4.496 -7.860) 16.561 8.285 ( 7.769 10.059 0.833) 12.738 8.443 ( 8.571 -6.230 1.123) 10.655 8.700 ( -1.620 0.963 0.353) 1.917 8.772 ( -0.090 -7.268 0.908) 7.325 9.042 ( 4.942 4.663 4.130) 7.951 9.085 ( 3.816 0.443 4.528) 5.938 9.156 ( -8.542 2.831 -7.960) 12.014 9.292 ( -1.912 -9.934 -0.111) 10.117 9.452 ( -1.184 9.650 4.676) 10.788 9.592 ( 8.199 -3.780 -0.656) 9.052 9.816 ( 1.720 2.487 0.446) 3.057 9.857 ( 4.166 2.287 -3.390) 5.838 9.999 ( 0.797 -5.167 3.712) 6.412 10.104 ( 5.670 -9.823 -0.954) 11.382 10.477 ( -1.860 10.033 -0.968) 10.250 10.536 ( -0.019 5.435 1.461) 5.628 10.562 ( 0.962 1.368 2.806) 3.267 10.662 ( 5.026 -2.257 0.086) 5.510 10.854 ( -0.143 -2.726 1.216) 2.988 10.923 ( 3.522 -7.095 -0.567) 7.941 11.371 ( -1.968 2.247 1.989) 3.588 11.410 ( 0.482 -1.617 0.428) 1.741 11.564 ( -2.213 2.259 -0.872) 3.280 11.610 ( -0.285 -2.142 -0.852) 2.323 11.951 ( -3.857 1.506 -0.188) 4.145 12.002 ( -0.330 -3.909 -0.038) 3.923 12.514 ( -4.563 8.438 -1.098) 9.655 12.568 ( -4.700 3.177 5.720) 8.056 12.605 ( -1.045 2.941 -3.171) 4.450 12.656 ( 1.289 0.357 -4.552) 4.745 12.882 ( -1.656 2.391 -2.815) 4.047 12.908 ( -0.550 -0.200 0.454) 0.740 13.092 ( -4.710 -0.105 -1.443) 4.927 13.164 ( -2.385 -5.388 2.417) 6.369 13.361 ( 3.713 1.930 -0.888) 4.278 13.414 ( 3.455 -3.456 -0.731) 4.941 13.685 ( 2.756 2.984 -0.413) 4.083 13.752 ( 5.731 -2.946 4.055) 7.614 14.244 ( -3.835 1.192 0.101) 4.018 14.295 ( -0.927 -3.892 -2.132) 4.534 14.604 ( 0.822 2.922 1.811) 3.535 14.644 ( 3.421 -1.303 4.274) 5.627 15.060 ( -2.929 -0.514 -2.645) 3.980 15.089 ( -2.101 -3.039 -0.388) 3.715 15.262 ( 0.800 2.748 0.712) 2.949 15.276 ( 0.788 2.413 2.181) 3.347 15.596 ( -3.514 -0.785 -3.159) 4.790 15.660 ( -0.305 -6.222 -1.547) 6.419 15.973 ( 1.181 8.647 1.209) 8.810 16.016 ( 3.204 5.768 2.155) 6.941 16.169 ( -0.263 -4.821 -0.419) 4.846 16.222 ( 2.415 -8.338 1.540) 8.816 16.740 ( -4.084 5.914 -4.293) 8.371 16.812 ( -1.725 -0.826 -0.939) 2.131 17.340 ( 0.506 6.586 -2.554) 7.082 17.441 ( 2.625 -4.941 2.937) 6.319 17.584 ( 1.515 9.559 3.993) 10.469 17.680 ( 2.366 6.057 0.595) 6.530 17.698 ( 0.939 -2.105 0.631) 2.390 17.818 ( -0.981 -7.146 -5.845) 9.284 17.934 ( 6.197 -0.979 9.140) 11.086 18.015 ( 3.528 -9.167 9.964) 13.991 18.187 ( 0.133 2.062 0.012) 2.066 18.239 ( 2.118 -3.456 -0.320) 4.066 18.829 ( -1.533 3.497 -2.953) 4.827 18.883 ( 0.877 -2.120 1.597) 2.795 19.235 ( -7.434 5.726 -6.926) 11.663 19.323 ( -2.698 -0.585 -3.011) 4.085 19.371 ( -2.108 -0.759 -5.302) 5.756 19.390 ( -0.433 -1.254 1.029) 1.679 19.627 ( -10.203 4.898 -6.203) 12.906 19.734 ( -11.178 -5.003 -5.106) 13.268 19.877 ( -2.727 3.521 -0.515) 4.483 19.884 ( 4.414 6.206 1.237) 7.715 19.939 ( -2.401 -2.002 0.405) 3.152 20.023 ( 3.027 -6.624 -0.581) 7.306 20.431 ( 4.965 2.216 3.228) 6.323 20.506 ( 6.671 -5.450 5.574) 10.260 21.323 ( -13.726 10.805 -14.739) 22.856 21.502 ( -14.089 -8.164 -14.181) 21.593 21.726 ( 5.954 10.465 8.660) 14.831 21.913 ( 5.600 -9.435 6.845) 12.932 22.153 ( -2.696 0.288 -3.624) 4.526 22.175 ( -1.230 -2.076 -2.762) 3.667 22.322 ( 5.864 3.263 4.709) 8.198 22.392 ( 9.464 -3.589 8.099) 12.963 22.555 ( -1.652 3.334 -0.938) 3.837 22.612 ( -1.415 -1.690 -1.118) 2.471 22.866 ( 14.809 1.561 11.646) 18.904 22.915 ( 17.288 -3.470 13.546) 22.236 24.610 ( -13.291 15.146 -18.122) 27.101 24.832 ( -6.020 -2.785 -5.728) 8.763 24.954 ( -1.049 -0.400 0.228) 1.146 25.000 ( -0.685 -2.193 0.890) 2.464 25.354 ( -1.772 0.343 -0.330) 1.835 25.509 ( 5.381 -13.457 7.904) 16.508 25.713 ( 0.972 2.276 -1.161) 2.733 25.758 ( 2.639 -2.819 1.203) 4.044 26.625 ( -10.124 3.938 -7.689) 13.309 26.693 ( -9.549 -2.918 -2.921) 10.403 27.160 ( 9.730 5.576 5.904) 12.674 27.234 ( 11.091 -2.160 5.568) 12.597 27.379 ( -0.373 4.677 1.557) 4.943 27.443 ( 3.275 -1.288 0.985) 3.654 27.742 ( 1.140 -1.637 1.755) 2.657 27.757 ( 1.608 -1.997 0.577) 2.628 28.189 ( -1.583 2.150 -1.680) 3.154 28.239 ( 0.827 1.343 2.425) 2.893 28.256 ( -2.424 -1.262 0.060) 2.734 28.328 ( 1.655 -3.640 1.441) 4.251 28.683 ( -12.983 0.895 -11.839) 17.593 28.714 ( -11.805 -2.237 -7.529) 14.179 28.961 ( 0.537 4.052 1.250) 4.274 29.013 ( 2.925 -0.811 -0.564) 3.088 29.144 ( -5.711 -0.883 -5.834) 8.212 29.151 ( -5.670 -1.728 -3.376) 6.821 29.609 ( 13.339 5.712 9.369) 17.272 29.734 ( 12.001 -6.723 5.592) 14.849 29.892 ( 0.614 1.830 3.907) 4.358 29.948 ( 6.123 -4.251 10.362) 12.764 30.083 ( -1.872 5.389 -0.822) 5.764 30.174 ( 4.367 -4.248 0.655) 6.127 31.132 ( -5.565 2.535 -3.872) 7.238 31.183 ( -3.647 -3.107 -3.051) 5.680 31.803 ( 3.475 1.611 -1.230) 4.023 31.836 ( 3.505 -1.513 -1.964) 4.293 32.209 ( -3.225 4.291 -2.609) 5.969 32.237 ( -0.896 2.506 0.038) 2.661 32.375 ( -2.187 -0.367 -1.620) 2.746 32.397 ( -1.330 -2.374 0.764) 2.826 32.879 ( 0.077 1.783 -0.139) 1.790 32.897 ( 1.389 0.825 -0.636) 1.737 33.033 ( -0.439 -0.021 0.825) 0.935 33.096 ( 3.943 -5.072 -1.207) 6.537 33.196 ( 0.384 -0.535 -1.078) 1.264 33.233 ( 1.825 -3.141 5.508) 6.598 34.451 ( -2.797 6.206 -0.897) 6.866 34.527 ( 1.692 -2.201 2.085) 3.472 38.497 ( -1.072 5.650 1.221) 5.879 38.528 ( 0.883 3.988 -0.209) 4.090 38.635 ( 0.345 -7.942 -5.385) 9.601 38.642 ( -0.264 -8.097 6.299) 10.262 39.836 ( -4.665 5.121 -0.863) 6.981 39.883 ( -1.982 0.279 0.194) 2.011 40.456 ( -2.046 8.914 0.761) 9.178 40.539 ( 2.497 0.419 1.778) 3.094 41.473 ( -2.507 -0.797 -0.190) 2.638 41.497 ( -0.921 -3.238 -1.089) 3.538 42.229 ( 0.388 4.378 -2.273) 4.948 42.276 ( 3.354 -0.548 -3.805) 5.102 42.560 ( 1.698 1.790 -1.904) 3.117 42.585 ( 3.104 -0.751 -0.752) 3.281 43.246 ( -4.171 -5.118 1.899) 6.870 43.269 ( -2.982 -7.457 3.016) 8.579 ======================= Grid point 145 (79/84) ======================= q-point: ( 0.25 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -15.401 18.087 -5.793) 24.452 2.182 ( -13.918 -2.928 -2.222) 14.395 2.356 ( 3.562 16.555 -2.106) 17.064 2.497 ( -1.922 5.683 -4.605) 7.563 2.543 ( -1.522 6.508 4.958) 8.322 2.636 ( -11.054 -6.896 2.088) 13.195 2.816 ( 2.474 -8.086 1.247) 8.547 2.876 ( -0.342 -8.082 -5.051) 9.537 3.009 ( -1.641 4.236 -0.726) 4.600 3.128 ( -6.530 -4.534 -6.489) 10.262 3.226 ( -3.775 3.660 -1.524) 5.474 3.356 ( -6.730 -7.201 0.912) 9.899 3.548 ( -3.591 1.975 5.363) 6.749 3.602 ( -1.965 -3.078 2.771) 4.584 3.749 ( -4.922 0.796 -2.871) 5.753 3.776 ( -4.813 -0.738 -6.097) 7.803 3.968 ( 2.525 -0.910 3.127) 4.121 3.999 ( 0.454 -3.990 5.175) 6.550 4.283 ( 0.773 10.958 2.973) 11.381 4.374 ( 5.728 0.591 0.942) 5.835 4.564 ( -1.764 2.103 1.703) 3.230 4.646 ( -4.348 -4.060 -1.439) 6.121 4.893 ( 2.395 6.415 -1.972) 7.126 5.095 ( -1.014 -8.089 0.471) 8.165 5.128 ( -3.204 5.814 2.842) 7.221 5.207 ( -3.988 -0.672 -0.224) 4.051 5.439 ( 4.318 3.146 -4.509) 6.991 5.487 ( 5.778 1.641 -10.927) 12.469 5.626 ( 4.230 3.429 5.563) 7.785 5.729 ( 2.511 -6.399 10.265) 12.354 5.769 ( 3.311 4.571 -5.762) 8.065 5.826 ( -1.295 -1.417 -7.240) 7.490 5.898 ( 4.741 7.869 4.966) 10.443 6.022 ( 3.210 -0.017 -0.924) 3.340 6.101 ( 0.271 -5.671 3.275) 6.554 6.140 ( 3.053 -3.367 0.617) 4.587 6.312 ( -4.411 -0.586 2.149) 4.942 6.440 ( 1.908 -7.286 5.069) 9.079 6.533 ( -5.986 2.496 1.560) 6.670 6.649 ( 0.008 -6.387 5.098) 8.172 6.677 ( -4.422 3.673 0.597) 5.780 6.792 ( 1.494 -3.306 0.174) 3.632 7.038 ( -4.721 1.599 -4.318) 6.594 7.084 ( -4.026 -5.290 -3.866) 7.690 7.395 ( -8.045 8.084 -2.145) 11.605 7.444 ( 2.982 5.306 -1.013) 6.170 7.561 ( 4.189 -5.578 5.989) 9.193 7.607 ( -1.822 -12.386 -0.575) 12.533 7.816 ( -3.287 1.779 -4.033) 5.498 7.902 ( 0.220 -6.982 -2.955) 7.585 8.346 ( 2.286 12.266 -1.328) 12.547 8.515 ( 4.118 -4.647 -3.485) 7.121 8.767 ( 6.693 0.382 1.610) 6.894 8.817 ( 2.780 -5.754 1.158) 6.495 8.970 ( -3.588 6.129 -2.236) 7.445 9.101 ( -2.837 -6.573 1.663) 7.349 9.199 ( 3.293 5.551 6.844) 9.407 9.345 ( 3.206 -9.741 3.899) 10.972 9.502 ( -0.654 13.872 5.960) 15.112 9.694 ( 4.931 -5.199 0.429) 7.179 9.848 ( 4.001 3.018 -0.907) 5.093 9.866 ( 3.115 -0.977 -2.123) 3.894 10.063 ( -1.476 -0.864 2.032) 2.656 10.132 ( 0.655 -5.515 0.430) 5.570 10.480 ( -2.412 10.719 1.229) 11.055 10.563 ( 3.199 1.758 0.600) 3.699 10.626 ( 4.756 0.417 -0.016) 4.774 10.703 ( 3.681 -7.153 -2.232) 8.349 10.927 ( 6.803 2.447 2.064) 7.519 10.986 ( 4.192 -3.514 1.058) 5.572 11.365 ( -1.233 4.234 -0.595) 4.450 11.415 ( -0.444 0.239 -3.043) 3.084 11.524 ( -1.057 -1.564 1.189) 2.231 11.542 ( -4.880 -0.965 -3.265) 5.951 11.884 ( -5.188 3.642 0.145) 6.341 11.992 ( -1.824 -7.243 0.887) 7.522 12.393 ( -3.747 7.792 -6.359) 10.732 12.523 ( -3.812 -0.222 -5.259) 6.499 12.544 ( -5.443 0.020 1.736) 5.713 12.606 ( -3.987 -4.233 2.514) 6.335 12.813 ( -0.754 5.003 -2.962) 5.863 12.905 ( -0.074 -3.185 -0.533) 3.230 13.049 ( -0.417 3.472 0.006) 3.497 13.147 ( -2.165 -4.123 0.646) 4.701 13.409 ( 3.431 2.927 -0.108) 4.511 13.448 ( 0.522 0.068 2.547) 2.601 13.757 ( 6.052 6.206 0.221) 8.671 13.899 ( 6.507 -5.480 2.621) 8.901 14.190 ( -3.619 1.657 0.277) 3.990 14.254 ( -1.385 -5.651 -0.545) 5.844 14.649 ( 0.909 5.167 1.276) 5.399 14.733 ( 0.804 -3.653 1.015) 3.875 15.005 ( -0.121 2.343 0.179) 2.353 15.049 ( -2.273 -1.462 0.907) 2.851 15.279 ( 1.176 2.181 -0.760) 2.592 15.354 ( 0.774 -3.004 6.614) 7.305 15.503 ( -3.548 1.153 -1.439) 3.999 15.598 ( -4.125 -6.284 -0.990) 7.582 15.995 ( 0.979 12.201 -1.291) 12.308 16.103 ( 2.908 7.314 3.278) 8.526 16.189 ( 1.962 -5.898 0.901) 6.281 16.279 ( 2.135 -8.763 2.093) 9.258 16.663 ( 0.113 1.540 -2.497) 2.936 16.712 ( -3.909 -3.104 -5.652) 7.541 17.373 ( 3.155 10.659 0.818) 11.146 17.433 ( -1.695 2.197 -5.016) 5.733 17.500 ( -0.826 -4.424 -0.893) 4.588 17.625 ( 0.553 -9.911 -5.135) 11.176 17.888 ( 1.227 12.623 6.434) 14.221 17.993 ( 4.877 5.188 7.901) 10.636 18.093 ( 2.775 -7.534 3.545) 8.776 18.162 ( 1.631 -11.699 7.611) 14.052 18.273 ( 5.624 4.520 4.904) 8.724 18.339 ( 10.292 -2.470 8.876) 13.813 18.704 ( -9.484 3.623 -8.621) 13.319 18.768 ( -7.056 -1.776 -8.364) 11.086 19.050 ( -2.125 3.699 -4.097) 5.914 19.145 ( -5.142 -4.242 -7.587) 10.100 19.295 ( -1.251 4.613 -0.078) 4.780 19.368 ( -3.687 -3.119 -1.550) 5.072 19.442 ( -4.667 1.820 -4.516) 6.745 19.510 ( -6.679 -4.152 -4.517) 9.069 19.827 ( -1.396 4.900 -0.829) 5.162 19.911 ( -1.177 -2.237 -0.077) 2.529 19.985 ( 3.037 4.248 4.357) 6.801 20.090 ( 2.300 -4.931 3.867) 6.675 20.570 ( 4.469 2.722 3.973) 6.570 20.641 ( 2.314 -4.466 3.363) 6.051 21.011 ( -7.006 10.227 -8.793) 15.199 21.184 ( -7.456 -8.015 -7.518) 13.280 21.836 ( 1.203 7.493 1.471) 7.730 21.971 ( 1.052 -6.917 -0.347) 7.005 22.107 ( -0.089 2.224 -1.335) 2.595 22.174 ( 0.888 -4.470 -0.065) 4.558 22.419 ( 3.500 6.849 0.099) 7.692 22.549 ( 0.994 1.857 -0.404) 2.145 22.560 ( 5.237 -6.125 0.824) 8.101 22.599 ( 0.767 -1.409 -0.368) 1.646 23.299 ( 13.662 5.838 10.904) 18.429 23.428 ( 16.692 -7.729 12.415) 22.192 24.174 ( -9.304 16.231 -13.605) 23.132 24.460 ( -13.690 -13.266 -13.983) 23.642 24.941 ( -1.760 1.833 0.117) 2.544 24.983 ( -2.076 -2.456 0.048) 3.216 25.406 ( 1.370 12.016 3.067) 12.477 25.648 ( 1.659 -12.194 3.687) 12.847 25.742 ( 3.146 3.670 0.919) 4.920 25.821 ( 1.797 -6.015 4.046) 7.468 26.431 ( -5.786 3.229 -2.656) 7.139 26.527 ( -6.866 -6.609 -0.445) 9.540 27.358 ( 3.204 10.442 1.903) 11.088 27.418 ( 7.800 0.794 0.342) 7.848 27.424 ( 4.976 1.953 2.035) 5.720 27.484 ( 1.991 -1.892 -1.756) 3.260 27.769 ( 0.015 0.566 0.977) 1.129 27.854 ( 2.889 -7.355 7.326) 10.776 28.170 ( 0.404 1.316 0.647) 1.521 28.206 ( -1.967 -2.093 -1.600) 3.288 28.287 ( -1.877 0.902 -0.218) 2.094 28.318 ( -4.392 -1.933 -5.067) 6.978 28.376 ( -6.181 3.943 -1.633) 7.511 28.482 ( -3.890 -5.441 2.927) 7.301 28.948 ( -2.053 3.181 1.028) 3.923 28.980 ( -3.081 0.022 -0.572) 3.133 29.126 ( 3.697 3.627 -1.252) 5.328 29.194 ( 3.904 -3.264 1.547) 5.318 29.680 ( -0.423 3.110 -1.983) 3.712 29.742 ( -0.926 -3.495 -0.995) 3.750 29.993 ( -4.159 4.713 -0.771) 6.333 30.038 ( -1.513 0.600 1.766) 2.402 30.357 ( 11.599 -0.610 16.195) 19.929 30.409 ( 12.463 -6.158 13.479) 19.363 30.981 ( -5.756 5.713 -5.144) 9.603 31.074 ( -2.193 -4.238 -3.071) 5.675 31.775 ( 0.805 -0.125 -9.632) 9.666 31.790 ( 2.039 -1.971 -7.193) 7.732 32.182 ( 1.608 5.238 0.926) 5.557 32.248 ( 0.204 1.692 0.111) 1.707 32.301 ( -3.478 -1.662 -3.075) 4.931 32.332 ( -3.763 -2.230 -3.007) 5.308 32.836 ( 0.571 4.702 -5.093) 6.955 32.911 ( 1.488 -1.603 -1.821) 2.846 33.045 ( 0.168 -1.022 0.838) 1.332 33.109 ( 3.283 -8.610 -3.555) 9.876 33.283 ( 1.977 4.459 9.076) 10.303 33.364 ( 1.596 -3.922 10.435) 11.262 34.364 ( -2.830 9.996 -6.922) 12.483 34.524 ( -0.494 -7.578 -5.095) 9.145 38.495 ( -0.348 3.053 0.492) 3.112 38.578 ( -0.225 0.436 2.838) 2.880 38.596 ( 1.018 0.020 1.689) 1.973 38.746 ( 0.484 -8.953 10.327) 13.676 39.738 ( -6.121 6.830 -2.396) 9.480 39.828 ( -4.587 -2.420 -1.371) 5.364 40.431 ( -1.060 10.658 -1.798) 10.861 40.560 ( -0.068 -2.559 -2.340) 3.468 41.423 ( -1.727 0.037 -1.678) 2.408 41.461 ( -0.975 -3.730 -1.890) 4.294 42.194 ( 1.654 5.828 -4.132) 7.333 42.274 ( 3.225 -2.422 -3.516) 5.351 42.564 ( 2.798 3.522 -2.730) 5.262 42.623 ( 3.797 -2.450 -1.547) 4.776 43.207 ( -3.681 -1.616 2.373) 4.668 43.268 ( -5.335 -7.628 5.533) 10.829 ======================= Grid point 146 (80/84) ======================= q-point: ( 0.38 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 2.914 11.912 7.609) 14.432 2.055 ( -2.328 -9.777 7.956) 12.818 2.379 ( 2.270 13.174 0.684) 13.386 2.401 ( -8.729 0.377 2.149) 8.998 2.484 ( -6.648 -0.191 -2.288) 7.034 2.630 ( 5.809 10.902 -0.837) 12.381 2.718 ( -4.710 -3.108 -6.091) 8.303 2.842 ( -4.861 0.339 4.191) 6.428 2.985 ( 0.676 -1.623 -2.915) 3.404 3.093 ( 1.500 -6.839 3.792) 7.963 3.189 ( 2.673 -2.782 -4.118) 5.643 3.287 ( -3.321 -7.404 -2.966) 8.640 3.477 ( -11.876 3.474 -3.271) 12.799 3.530 ( -11.720 -2.395 -1.903) 12.113 3.599 ( -1.717 4.528 -1.224) 4.995 3.706 ( -0.564 -6.349 1.947) 6.665 4.086 ( 2.453 -1.254 4.054) 4.901 4.107 ( 4.944 -1.840 2.330) 5.767 4.301 ( -1.122 12.784 1.718) 12.947 4.425 ( 0.162 1.779 -0.173) 1.795 4.556 ( 0.611 -1.786 -2.610) 3.221 4.602 ( 0.360 -2.266 0.008) 2.295 4.853 ( -2.719 4.639 -3.544) 6.440 5.049 ( -4.480 -12.930 -2.786) 13.965 5.069 ( -3.927 6.052 0.381) 7.225 5.189 ( -2.633 -5.249 2.225) 6.280 5.398 ( 4.480 0.976 -12.405) 13.226 5.438 ( 3.260 -2.574 -7.291) 8.392 5.656 ( -1.419 6.981 -3.925) 8.134 5.706 ( -0.141 2.601 0.528) 2.657 5.792 ( 3.069 -2.397 -1.004) 4.021 5.822 ( -1.864 -5.114 3.263) 6.346 6.013 ( -3.492 10.287 -4.941) 11.934 6.107 ( 6.162 1.665 1.124) 6.481 6.168 ( -4.856 -0.336 4.781) 6.823 6.173 ( 7.512 6.038 5.175) 10.940 6.210 ( -2.706 -10.438 -5.323) 12.026 6.375 ( -9.268 -8.152 0.048) 12.344 6.564 ( 0.432 7.874 2.576) 8.296 6.614 ( -1.697 2.470 4.188) 5.150 6.730 ( 3.336 2.535 2.717) 4.994 6.848 ( 5.491 -3.753 0.249) 6.655 6.889 ( -7.286 -0.158 -2.846) 7.824 6.978 ( -4.474 -8.316 1.412) 9.548 7.365 ( -0.558 4.926 1.069) 5.071 7.498 ( -2.004 -5.358 0.847) 5.783 7.511 ( 2.278 0.981 0.989) 2.670 7.673 ( 1.510 -12.611 5.641) 13.897 7.912 ( 10.382 3.011 5.187) 11.990 7.988 ( 7.950 -4.390 4.262) 10.032 8.326 ( -1.879 12.711 -2.321) 13.057 8.491 ( -0.584 -4.596 -4.412) 6.398 8.792 ( -2.454 2.225 -1.761) 3.752 8.819 ( 0.109 0.102 -4.231) 4.234 9.046 ( 6.309 3.475 3.011) 7.807 9.118 ( 0.256 -1.787 0.375) 1.844 9.344 ( 3.890 -1.366 11.997) 12.686 9.412 ( 1.191 -4.568 3.927) 6.140 9.582 ( 0.054 9.162 7.493) 11.836 9.738 ( 1.022 -4.189 -0.146) 4.314 9.921 ( 4.797 0.102 1.714) 5.095 9.932 ( 5.348 1.036 3.095) 6.266 10.031 ( -2.041 0.353 -1.287) 2.439 10.120 ( -2.675 -5.936 -1.537) 6.690 10.421 ( -2.404 10.221 -3.088) 10.944 10.561 ( -2.954 -3.040 -1.665) 4.555 10.664 ( 1.488 3.852 -0.554) 4.167 10.793 ( 8.271 -7.296 -2.063) 11.220 11.022 ( 3.292 2.806 -1.465) 4.567 11.036 ( 1.752 1.003 -1.662) 2.615 11.277 ( -4.264 7.362 -2.446) 8.852 11.358 ( -2.739 -2.065 -3.696) 5.042 11.435 ( -4.261 5.125 -0.363) 6.675 11.529 ( -0.112 -4.081 -0.019) 4.083 11.818 ( -3.076 3.058 -0.124) 4.339 11.965 ( -2.359 -10.439 -0.894) 10.740 12.301 ( -0.069 4.244 -3.446) 5.467 12.402 ( -2.632 -6.184 -4.448) 8.060 12.508 ( -1.055 2.955 1.407) 3.439 12.583 ( -3.987 -4.742 2.901) 6.841 12.810 ( 2.572 4.598 0.161) 5.271 12.907 ( 0.754 -4.073 0.382) 4.160 13.043 ( -1.106 2.443 -0.332) 2.702 13.115 ( -1.713 -3.301 -1.264) 3.928 13.465 ( 2.360 4.330 2.484) 5.522 13.498 ( 0.082 1.684 4.496) 4.802 13.850 ( 6.560 5.491 -0.826) 8.594 13.971 ( 2.804 -4.159 -2.339) 5.534 14.142 ( -4.382 5.074 2.187) 7.052 14.252 ( 0.548 -6.064 1.296) 6.225 14.624 ( -3.055 3.610 -3.523) 5.897 14.677 ( -3.522 -2.102 -4.031) 5.751 15.046 ( 0.279 2.309 3.213) 3.966 15.073 ( 1.454 -0.369 3.623) 3.921 15.248 ( -1.671 4.181 -2.785) 5.294 15.352 ( -4.131 -6.194 -2.551) 7.870 15.549 ( 3.012 2.282 8.553) 9.351 15.626 ( 4.503 -4.665 6.867) 9.444 15.997 ( 1.378 9.150 -0.019) 9.254 16.142 ( -2.077 2.190 -0.613) 3.081 16.217 ( 1.906 -3.475 -0.438) 3.987 16.310 ( -1.085 -6.787 0.229) 6.877 16.615 ( -0.502 0.538 -3.134) 3.219 16.661 ( 1.825 -4.189 -1.523) 4.816 17.384 ( 1.720 9.552 -2.187) 9.949 17.428 ( 1.898 3.514 2.310) 4.614 17.546 ( 3.709 -3.884 2.887) 6.097 17.587 ( 0.768 -7.333 -4.275) 8.523 17.809 ( -8.678 12.209 -6.450) 16.309 18.038 ( -4.770 4.922 -0.154) 6.856 18.070 ( -7.886 -12.769 -8.340) 17.169 18.115 ( -4.598 -4.279 -0.432) 6.296 18.224 ( -3.208 2.454 -5.006) 6.432 18.307 ( -8.479 -5.283 -7.485) 12.483 18.823 ( 7.345 3.583 10.230) 13.093 18.893 ( 9.084 -3.697 11.122) 14.829 19.046 ( 5.808 5.182 2.916) 8.312 19.131 ( 6.467 -3.163 3.138) 7.854 19.266 ( -1.316 1.365 -3.104) 3.637 19.307 ( 0.333 -2.512 -1.168) 2.790 19.395 ( 2.775 3.636 4.829) 6.651 19.467 ( 1.542 -3.435 5.071) 6.316 19.820 ( 0.868 3.443 0.465) 3.582 19.887 ( -0.452 -3.111 -1.468) 3.469 20.083 ( 0.966 5.144 5.957) 7.929 20.166 ( 1.530 -2.548 3.254) 4.407 20.557 ( -5.199 2.751 -5.703) 8.193 20.623 ( -4.411 -4.674 -3.925) 7.530 20.976 ( 7.031 10.146 4.296) 13.070 21.160 ( 6.510 -8.648 5.695) 12.231 21.818 ( -3.304 9.256 -3.003) 10.277 21.981 ( 0.386 -7.829 -0.643) 7.865 22.105 ( 1.125 2.141 -0.059) 2.419 22.168 ( -0.400 -4.488 -1.425) 4.726 22.416 ( -1.474 6.051 -4.476) 7.670 22.521 ( -2.883 -3.762 -6.872) 8.348 22.592 ( 1.245 0.501 -0.279) 1.370 22.618 ( 1.258 -0.976 0.785) 1.776 23.147 ( -14.564 5.621 -18.857) 24.480 23.292 ( -17.348 -9.445 -22.438) 29.893 24.335 ( 18.283 12.531 15.259) 26.910 24.538 ( 15.954 -9.335 16.059) 24.486 24.922 ( -0.974 1.505 0.227) 1.807 24.955 ( -1.391 -1.858 -0.219) 2.331 25.394 ( -4.332 13.348 -1.360) 14.099 25.611 ( -5.889 -7.648 -3.501) 10.268 25.835 ( 4.384 -0.021 4.063) 5.977 25.909 ( 1.877 -7.171 5.060) 8.974 26.410 ( 1.555 2.548 3.444) 4.558 26.506 ( -0.877 -7.716 5.050) 9.263 27.316 ( -3.656 5.099 -5.112) 8.093 27.340 ( -5.270 3.158 -9.549) 11.355 27.507 ( 5.264 1.267 -1.137) 5.533 27.547 ( 3.775 -3.041 -0.740) 4.904 27.751 ( -3.069 3.421 0.169) 4.599 27.859 ( -5.512 -6.883 -2.095) 9.064 28.205 ( 0.692 3.460 0.756) 3.609 28.227 ( 1.327 2.080 3.590) 4.357 28.264 ( -0.643 -2.823 0.918) 3.038 28.283 ( 3.941 -3.907 5.987) 8.164 28.517 ( 9.349 2.887 12.138) 15.591 28.573 ( 4.818 -1.213 9.694) 10.893 28.925 ( -2.471 2.095 0.163) 3.244 28.948 ( -2.120 -0.204 1.660) 2.700 29.130 ( 0.677 3.689 -3.058) 4.839 29.201 ( -1.930 -3.364 -2.625) 4.683 29.687 ( 3.660 5.507 -0.008) 6.612 29.784 ( 4.199 -4.329 2.833) 6.663 29.939 ( -2.106 2.007 1.270) 3.175 29.983 ( -3.817 -2.131 -1.919) 4.775 30.373 ( -15.054 6.376 -6.667) 17.656 30.510 ( -11.119 -7.935 -4.314) 14.325 31.081 ( 12.778 4.759 12.960) 18.812 31.163 ( 9.624 -3.718 8.327) 13.259 31.710 ( 5.695 2.306 -6.950) 9.276 31.781 ( 7.007 -5.496 -4.446) 9.953 32.125 ( -4.893 2.680 -6.309) 8.421 32.152 ( -6.109 -0.672 -5.368) 8.160 32.250 ( -0.182 2.904 0.044) 2.910 32.310 ( -1.276 -2.854 -0.774) 3.221 32.797 ( 2.226 5.196 -3.765) 6.792 32.888 ( -0.350 -3.082 -3.130) 4.407 33.057 ( -0.199 -1.028 1.200) 1.593 33.114 ( 2.430 -7.746 -2.686) 8.551 33.439 ( 1.967 5.260 11.417) 12.723 33.531 ( 1.346 -4.144 13.093) 13.799 34.192 ( -3.964 10.778 -12.449) 16.937 34.375 ( -4.032 -9.229 -13.042) 16.478 38.500 ( -0.327 0.679 1.019) 1.267 38.558 ( -0.232 -5.306 -1.498) 5.518 38.735 ( 2.287 9.585 12.500) 15.917 38.910 ( 1.549 -8.156 13.208) 15.601 39.592 ( -5.800 7.647 -6.931) 11.839 39.712 ( -4.995 -4.538 -5.956) 9.001 40.376 ( -1.436 8.458 -3.537) 9.279 40.477 ( -2.560 -2.100 -6.528) 7.320 41.403 ( 0.364 0.301 0.190) 0.509 41.443 ( 1.264 -3.857 -1.224) 4.240 42.192 ( 2.126 6.840 -0.814) 7.209 42.288 ( 3.225 -2.873 -2.429) 4.955 42.576 ( 3.093 4.195 -2.245) 5.675 42.651 ( 3.321 -3.139 -2.788) 5.353 43.201 ( -2.380 -1.107 3.682) 4.522 43.250 ( -5.664 -5.907 4.707) 9.441 ======================= Grid point 147 (81/84) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 12.423 6.651 9.023) 16.733 2.261 ( 7.322 -3.253 7.891) 11.245 2.269 ( -9.881 4.829 -1.189) 11.062 2.391 ( -2.470 -2.886 -3.389) 5.091 2.487 ( 3.782 2.242 7.111) 8.360 2.590 ( 3.903 -3.368 -6.514) 8.308 2.766 ( 3.638 13.851 5.958) 15.511 2.813 ( -2.513 5.820 -0.137) 6.341 2.971 ( 0.911 -0.005 -0.220) 0.937 3.066 ( -4.026 2.023 -5.170) 6.857 3.156 ( -10.506 -5.859 0.619) 12.045 3.229 ( 4.538 -8.869 -4.026) 10.745 3.293 ( 1.767 -2.999 -0.945) 3.606 3.312 ( -7.505 -3.605 -2.640) 8.735 3.667 ( 3.918 2.144 4.233) 6.154 3.727 ( 0.024 -4.237 0.001) 4.237 4.112 ( -0.806 -1.640 -0.328) 1.857 4.129 ( -0.195 -3.652 -2.288) 4.314 4.325 ( 1.084 9.630 2.171) 9.931 4.395 ( -0.120 5.944 -2.921) 6.624 4.533 ( 0.837 -4.517 -0.751) 4.655 4.604 ( -0.488 -6.192 -3.708) 7.234 4.801 ( -1.541 5.635 4.038) 7.102 4.921 ( -3.172 -0.586 -5.791) 6.629 5.064 ( -0.472 -4.096 3.541) 5.435 5.135 ( -5.198 -5.698 -1.608) 7.879 5.360 ( 3.268 -2.539 -3.380) 5.344 5.374 ( 2.480 -4.466 -4.972) 7.129 5.669 ( -4.783 0.109 1.037) 4.896 5.672 ( 2.618 2.116 0.836) 3.469 5.768 ( -3.099 4.431 -1.660) 5.657 5.834 ( -0.624 5.479 -4.355) 7.026 5.908 ( 1.349 0.085 3.189) 3.463 6.010 ( -6.755 -7.157 -4.571) 10.851 6.160 ( -3.299 1.654 2.195) 4.294 6.218 ( 4.385 -1.365 -0.577) 4.629 6.292 ( 2.442 2.110 1.301) 3.480 6.377 ( 7.583 -3.550 -4.190) 9.363 6.599 ( -0.891 2.176 2.431) 3.382 6.616 ( -1.692 0.833 1.456) 2.382 6.810 ( -1.821 3.350 1.926) 4.272 6.824 ( 4.303 2.718 0.029) 5.089 6.946 ( -2.244 -0.592 4.437) 5.007 6.976 ( 4.522 -3.690 2.924) 6.528 7.301 ( -1.989 -0.369 -3.963) 4.450 7.319 ( -5.763 -1.774 -5.606) 8.233 7.811 ( 9.207 2.167 13.729) 16.672 7.882 ( 5.750 -5.791 12.895) 15.260 8.046 ( 3.912 4.273 -4.194) 7.152 8.109 ( 2.742 -2.027 -5.315) 6.315 8.274 ( -0.536 4.259 3.572) 5.585 8.370 ( -7.761 -4.962 -4.503) 10.253 8.720 ( -0.463 1.478 -3.374) 3.713 8.730 ( -3.708 0.643 -3.623) 5.223 9.099 ( -0.575 3.364 1.096) 3.584 9.125 ( 0.933 0.760 -0.957) 1.537 9.500 ( 0.678 2.931 5.463) 6.236 9.543 ( 3.030 -2.514 4.824) 6.227 9.703 ( 0.983 2.691 10.873) 11.244 9.773 ( 1.606 -2.102 6.994) 7.478 9.901 ( -4.693 2.023 -5.798) 7.729 9.975 ( -3.677 -4.591 -5.751) 8.226 10.067 ( 4.507 -1.018 4.114) 6.187 10.116 ( 6.296 -4.356 0.381) 7.666 10.355 ( 0.150 7.411 -3.120) 8.043 10.409 ( -8.369 3.875 -7.466) 11.866 10.692 ( -1.767 1.827 5.662) 6.207 10.814 ( 1.116 -7.705 -4.739) 9.114 10.996 ( -3.151 2.182 -1.129) 3.996 11.013 ( 0.295 1.219 -2.590) 2.878 11.227 ( -2.125 2.331 1.051) 3.325 11.277 ( 1.134 -3.027 -3.894) 5.061 11.418 ( -3.643 10.468 6.175) 12.688 11.555 ( 3.986 0.450 -2.553) 4.755 11.805 ( -0.318 -1.785 1.624) 2.434 11.907 ( 2.455 -8.458 -5.718) 10.500 12.291 ( 0.289 0.163 0.590) 0.677 12.309 ( -5.302 -2.056 -1.105) 5.793 12.565 ( 0.124 -3.005 0.227) 3.016 12.575 ( 6.385 -3.338 -0.439) 7.218 12.870 ( 2.315 3.458 1.913) 4.580 12.907 ( -2.244 1.017 -0.763) 2.579 13.022 ( -0.681 -1.537 1.152) 2.037 13.074 ( 0.631 -5.047 -2.921) 5.865 13.529 ( -0.285 5.442 4.025) 6.775 13.551 ( 1.154 2.747 2.343) 3.790 13.893 ( 1.182 0.734 -1.679) 2.181 13.929 ( -2.122 -2.111 -4.221) 5.175 14.162 ( -0.369 9.152 6.969) 11.509 14.278 ( 1.140 -0.991 -1.938) 2.457 14.527 ( -1.649 0.687 -1.076) 2.086 14.574 ( -2.739 -2.995 -3.893) 5.624 15.091 ( 0.288 2.999 3.159) 4.365 15.128 ( 0.962 -0.317 1.152) 1.534 15.212 ( -0.232 3.471 0.175) 3.484 15.266 ( -1.226 -2.198 -3.391) 4.223 15.727 ( 4.690 1.281 7.963) 9.330 15.790 ( 3.299 -3.664 3.756) 6.198 16.017 ( 0.418 -0.166 0.569) 0.725 16.050 ( -4.497 -1.834 -2.578) 5.498 16.233 ( 1.219 0.412 0.156) 1.297 16.266 ( -2.536 -2.537 -1.703) 3.971 16.613 ( 1.513 0.289 0.223) 1.557 16.651 ( -0.028 -3.612 -2.812) 4.578 17.377 ( 0.813 6.986 -0.634) 7.062 17.419 ( -5.704 6.684 -5.069) 10.144 17.545 ( 4.026 -0.040 5.287) 6.646 17.655 ( 1.653 -6.478 -1.409) 6.833 17.691 ( -1.101 4.852 0.117) 4.977 17.812 ( -6.087 -2.480 -8.494) 10.740 17.965 ( 1.013 -0.635 3.632) 3.823 18.065 ( -6.997 -7.400 -2.588) 10.507 18.163 ( 1.177 1.045 -0.228) 1.590 18.202 ( -0.568 -3.438 -2.393) 4.227 18.904 ( 1.199 2.954 2.023) 3.775 18.936 ( -2.173 -0.214 -0.779) 2.318 19.165 ( 2.972 2.804 1.772) 4.454 19.201 ( -1.145 -0.466 -1.564) 1.993 19.257 ( 0.371 -1.016 -0.495) 1.189 19.294 ( 1.514 -4.551 -3.287) 5.814 19.668 ( 8.004 2.474 11.829) 14.495 19.711 ( 5.970 -2.449 8.871) 10.970 19.870 ( 3.121 1.311 2.790) 4.387 19.889 ( 2.417 -0.494 1.207) 2.746 20.140 ( -2.126 6.382 4.428) 8.054 20.213 ( 1.219 -0.085 0.873) 1.502 20.385 ( -4.361 1.605 -5.297) 7.046 20.457 ( -4.706 -5.740 -8.269) 11.111 21.272 ( 16.359 11.759 13.800) 24.420 21.488 ( 16.430 -10.155 15.783) 24.944 21.597 ( -13.242 13.867 -12.375) 22.821 21.858 ( -12.807 -12.857 -12.468) 22.018 22.150 ( 3.143 0.087 2.248) 3.865 22.161 ( 2.627 -1.226 0.924) 3.043 22.246 ( -6.586 1.603 -8.055) 10.528 22.279 ( -8.359 -1.867 -10.395) 13.469 22.618 ( 0.725 2.188 1.686) 2.856 22.641 ( -0.018 0.310 0.382) 0.492 22.837 ( -4.453 -1.127 -6.164) 7.687 22.868 ( -6.069 -4.030 -8.976) 11.560 24.763 ( 13.370 9.405 10.405) 19.377 24.873 ( 0.499 0.159 2.044) 2.110 24.914 ( 1.694 -1.232 1.621) 2.649 24.941 ( -0.082 -1.584 -0.233) 1.604 25.328 ( 0.281 6.406 2.690) 6.954 25.437 ( -7.141 -4.096 -6.065) 10.226 25.944 ( 2.648 -3.332 3.968) 5.819 25.969 ( -0.875 -5.357 1.926) 5.760 26.524 ( 5.513 0.435 4.642) 7.221 26.563 ( -0.504 -4.051 2.156) 4.617 27.156 ( -3.827 1.012 -4.793) 6.216 27.185 ( -2.414 -1.582 -6.387) 7.009 27.533 ( -3.392 1.867 0.960) 3.989 27.559 ( 1.297 0.657 -0.696) 1.611 27.730 ( -0.779 0.773 1.166) 1.602 27.777 ( 0.198 -2.974 -2.609) 3.961 28.245 ( -0.912 3.764 1.561) 4.176 28.247 ( 1.200 2.047 1.457) 2.784 28.300 ( 0.956 -0.606 3.327) 3.514 28.343 ( -0.112 -3.335 0.053) 3.338 28.813 ( 6.014 3.464 6.458) 9.480 28.828 ( 6.710 2.390 7.223) 10.144 28.899 ( 0.832 -0.354 1.527) 1.775 28.936 ( -1.909 -3.192 0.577) 3.764 29.115 ( 2.083 1.312 0.007) 2.462 29.136 ( -1.661 -0.849 -1.073) 2.152 29.771 ( 5.666 6.616 1.923) 8.921 29.847 ( -5.191 0.422 -4.231) 6.710 29.899 ( -1.616 1.522 3.599) 4.228 29.968 ( 0.387 -3.986 0.140) 4.007 30.079 ( -4.377 2.646 -1.467) 5.321 30.211 ( -9.348 -10.103 -10.207) 17.135 31.382 ( 5.258 4.210 12.013) 13.772 31.456 ( 6.190 -4.107 14.187) 16.014 31.671 ( -0.085 5.672 -11.811) 13.103 31.769 ( -0.118 -4.806 -11.591) 12.548 32.034 ( 0.391 3.048 2.000) 3.667 32.075 ( 0.519 -1.151 -0.109) 1.267 32.210 ( -0.467 -0.858 -2.856) 3.019 32.224 ( -4.154 -2.133 -3.768) 6.000 32.808 ( 1.831 2.122 -0.595) 2.865 32.827 ( -2.718 0.256 -2.219) 3.518 33.067 ( -0.991 -2.038 1.537) 2.738 33.112 ( 1.826 -6.541 -2.526) 7.245 33.631 ( 2.801 6.491 13.955) 15.643 33.737 ( 1.921 -4.387 15.694) 16.408 33.962 ( -3.307 8.923 -14.094) 17.006 34.116 ( -4.643 -7.431 -16.607) 18.777 38.511 ( -0.255 -1.096 1.383) 1.783 38.539 ( -0.058 -4.000 -1.214) 4.181 38.947 ( 1.629 10.304 14.824) 18.127 39.087 ( 1.751 -2.644 8.408) 8.986 39.435 ( -1.061 4.362 -6.587) 7.971 39.552 ( -0.551 -6.189 -11.038) 12.667 40.325 ( -1.152 4.875 -0.788) 5.071 40.367 ( -1.776 0.431 -4.704) 5.046 41.421 ( 0.093 -0.306 1.267) 1.307 41.451 ( 1.256 -3.445 -1.295) 3.889 42.220 ( 0.236 6.251 1.767) 6.500 42.289 ( 1.644 -0.552 -3.666) 4.055 42.597 ( 1.930 2.256 -0.626) 3.035 42.643 ( 1.195 -1.959 -3.960) 4.577 43.218 ( -3.820 -2.237 4.380) 6.227 43.239 ( 0.130 -4.358 2.412) 4.983 ======================= Grid point 148 (82/84) ======================= q-point: (-0.38 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -8.728 12.231 -8.867) 17.447 2.251 ( -3.391 -2.070 -4.380) 5.913 2.269 ( -6.717 6.220 3.514) 9.806 2.426 ( 3.833 -4.589 5.253) 7.959 2.464 ( -3.757 3.778 -1.711) 5.596 2.578 ( 4.330 -7.453 -7.862) 11.666 2.805 ( -1.652 15.209 -4.589) 15.972 2.880 ( 6.646 5.433 1.763) 8.764 2.951 ( 1.396 -0.888 -0.886) 1.877 3.094 ( 1.512 -1.241 5.269) 5.620 3.128 ( 2.411 -6.036 2.065) 6.820 3.223 ( 3.499 -9.478 3.075) 10.561 3.398 ( 13.596 1.819 1.607) 13.811 3.452 ( 13.682 -3.085 4.600) 14.760 3.662 ( -1.552 3.624 -4.133) 5.712 3.746 ( 1.116 -4.711 -1.232) 4.996 4.101 ( -1.839 -1.335 0.698) 2.378 4.127 ( 0.927 -3.732 -0.368) 3.863 4.357 ( 1.328 8.006 -4.008) 9.051 4.403 ( 4.800 8.207 3.476) 10.123 4.525 ( -1.849 -6.323 -3.255) 7.348 4.581 ( 0.311 -5.715 3.374) 6.644 4.809 ( -2.826 4.041 1.840) 5.264 4.921 ( 4.334 -1.583 4.601) 6.516 5.037 ( -4.573 -1.137 2.362) 5.271 5.145 ( 0.514 -8.067 6.126) 10.142 5.319 ( 0.899 1.893 -4.659) 5.108 5.414 ( 5.287 -7.606 -4.109) 10.133 5.618 ( -3.601 7.199 0.559) 8.069 5.700 ( -3.588 4.503 2.119) 6.135 5.738 ( 0.793 -2.600 4.136) 4.949 5.849 ( 3.742 -4.574 2.000) 6.239 5.924 ( 0.268 2.256 0.034) 2.273 6.018 ( 1.665 -3.714 6.167) 7.389 6.106 ( -3.874 6.693 -0.340) 7.741 6.243 ( -1.011 -5.797 -0.682) 5.924 6.331 ( 8.380 5.726 -5.441) 11.516 6.424 ( 8.863 -2.557 -4.793) 10.395 6.595 ( -0.176 2.533 0.489) 2.586 6.666 ( 2.426 -1.924 1.808) 3.586 6.774 ( -2.755 4.285 -1.524) 5.318 6.824 ( -2.506 -2.305 -1.033) 3.558 6.939 ( -1.249 3.270 -3.299) 4.810 7.025 ( 1.796 -3.981 -2.642) 5.105 7.279 ( 1.218 1.767 5.292) 5.710 7.351 ( 5.944 -5.090 6.838) 10.392 7.801 ( -11.290 4.326 -17.829) 21.542 7.913 ( -6.188 -7.178 -11.797) 15.132 7.950 ( -4.213 3.093 2.361) 5.735 8.029 ( -4.341 -4.677 0.876) 6.441 8.293 ( 0.494 7.824 1.350) 7.955 8.410 ( 2.871 -3.199 3.947) 5.836 8.695 ( 1.177 2.562 4.208) 5.065 8.745 ( 2.713 -2.837 3.162) 5.041 9.077 ( -3.857 3.191 -0.308) 5.015 9.116 ( 0.240 -0.134 -0.226) 0.356 9.509 ( -3.966 1.560 -1.734) 4.601 9.527 ( -3.333 -1.002 -3.947) 5.262 9.724 ( -5.891 2.332 -4.665) 7.867 9.799 ( -2.726 -1.876 -5.119) 6.096 9.882 ( 1.638 3.694 8.285) 9.218 9.955 ( 0.890 -0.005 3.907) 4.007 10.034 ( -6.372 -2.372 -2.974) 7.421 10.103 ( 1.248 -6.776 -6.858) 9.721 10.317 ( 1.963 8.670 5.602) 10.508 10.471 ( 6.857 -2.721 5.759) 9.359 10.699 ( -5.000 0.198 2.679) 5.676 10.754 ( -3.681 -2.369 -2.520) 5.050 10.959 ( -1.322 1.651 2.401) 3.199 10.972 ( -3.940 1.264 1.625) 4.445 11.264 ( 2.488 3.074 1.347) 4.177 11.305 ( 4.698 -0.913 0.283) 4.794 11.455 ( -0.966 2.415 4.964) 5.604 11.514 ( -1.002 1.447 -5.175) 5.466 11.826 ( 4.015 1.985 -0.994) 4.588 11.969 ( 9.663 -9.034 -2.035) 13.384 12.239 ( -4.008 1.364 2.011) 4.687 12.303 ( -2.854 -5.198 4.191) 7.262 12.569 ( 4.478 2.410 -3.662) 6.266 12.661 ( 7.470 -6.516 -4.080) 10.719 12.829 ( -4.026 3.584 -1.252) 5.533 12.891 ( -2.649 -0.444 1.501) 3.077 13.046 ( 1.780 -1.629 0.247) 2.425 13.093 ( 3.678 -3.914 -0.012) 5.371 13.520 ( -3.062 6.191 -1.229) 7.015 13.577 ( 0.412 1.529 -1.598) 2.250 13.836 ( -5.406 2.112 -0.622) 5.838 13.892 ( -1.897 -2.331 3.562) 4.660 14.220 ( -0.147 5.084 -2.393) 5.621 14.239 ( -0.645 3.788 1.196) 4.025 14.557 ( 3.611 0.069 1.195) 3.804 14.588 ( 4.403 -2.792 4.240) 6.720 15.106 ( -1.210 2.454 -0.887) 2.877 15.131 ( 0.578 0.696 -1.736) 1.958 15.212 ( -0.112 3.706 0.340) 3.723 15.284 ( 4.568 -2.381 2.290) 5.638 15.720 ( -4.795 1.606 -6.048) 7.884 15.768 ( -4.521 -2.987 -4.400) 6.980 16.012 ( -0.479 0.681 0.374) 0.913 16.086 ( 3.712 -3.392 3.264) 5.994 16.205 ( -2.292 1.730 -0.016) 2.872 16.280 ( 1.885 -4.043 2.637) 5.182 16.599 ( -1.677 0.284 -1.659) 2.376 16.640 ( 0.058 -4.373 -0.051) 4.374 17.342 ( -1.716 9.911 1.808) 10.220 17.461 ( 4.672 1.121 4.307) 6.453 17.534 ( -3.760 2.157 -4.987) 6.608 17.600 ( -5.001 -1.003 -2.310) 5.599 17.716 ( 1.578 0.042 0.964) 1.850 17.818 ( 7.634 -7.204 10.896) 15.129 18.015 ( 5.922 4.298 1.141) 7.406 18.112 ( 4.016 -0.751 6.265) 7.479 18.145 ( -1.579 0.072 -1.310) 2.053 18.228 ( 5.424 -8.524 0.976) 10.150 18.907 ( -0.705 4.546 -0.864) 4.680 18.968 ( 3.147 -1.611 1.472) 3.829 19.146 ( -2.573 2.696 -3.612) 5.190 19.214 ( 0.828 -2.578 -0.955) 2.872 19.237 ( -3.774 -1.573 -2.479) 4.782 19.248 ( -1.837 -2.867 1.262) 3.631 19.648 ( -9.136 3.294 -12.204) 15.597 19.701 ( -7.200 -2.744 -10.905) 13.352 19.833 ( -3.631 1.884 -0.641) 4.140 19.866 ( -2.826 -1.145 -1.511) 3.404 20.178 ( -0.682 4.715 0.631) 4.806 20.211 ( 0.391 1.542 -2.236) 2.744 20.398 ( 5.071 2.247 6.804) 8.778 20.481 ( 7.617 -6.313 6.976) 12.106 21.175 ( -13.609 12.419 -13.603) 22.902 21.402 ( -14.768 -10.701 -16.213) 24.403 21.687 ( 12.562 13.109 10.136) 20.794 21.927 ( 9.004 -11.772 7.898) 16.793 22.124 ( -3.023 -0.251 -2.235) 3.768 22.133 ( -1.675 -1.368 0.036) 2.163 22.270 ( 6.033 2.332 7.406) 9.833 22.315 ( 8.455 -2.368 9.203) 12.720 22.611 ( -1.878 2.517 -1.328) 3.410 22.636 ( -1.104 0.064 -0.259) 1.136 22.841 ( 5.569 0.027 7.964) 9.718 22.893 ( 9.047 -5.547 10.459) 14.900 24.641 ( -16.680 11.446 -11.915) 23.478 24.837 ( -10.603 -9.138 -9.709) 17.035 24.924 ( 1.625 1.549 0.318) 2.268 24.948 ( 1.301 -0.967 0.376) 1.664 25.359 ( 3.593 10.313 1.653) 11.046 25.499 ( 8.047 -3.220 6.191) 10.652 25.917 ( -4.902 -1.145 -2.576) 5.655 25.984 ( -0.443 -8.779 -0.834) 8.830 26.503 ( -2.922 3.701 -4.693) 6.653 26.610 ( 2.336 -7.299 -3.088) 8.262 27.142 ( 2.230 2.422 6.401) 7.198 27.197 ( 4.841 -3.371 4.177) 7.228 27.475 ( -5.857 2.987 1.858) 6.833 27.536 ( -4.706 -2.877 0.381) 5.529 27.746 ( 2.780 3.586 0.728) 4.596 27.816 ( 4.981 -3.412 0.771) 6.087 28.225 ( -1.493 3.517 -0.292) 3.832 28.283 ( 0.258 -2.148 -0.137) 2.168 28.310 ( 0.495 2.842 -2.566) 3.861 28.367 ( 1.828 -2.502 -0.841) 3.211 28.732 ( -9.342 3.319 -6.372) 11.785 28.787 ( -9.063 -1.322 -7.939) 12.120 28.915 ( 1.869 3.431 0.648) 3.960 28.984 ( 1.507 -3.423 -0.497) 3.773 29.109 ( 0.091 4.144 -2.314) 4.747 29.177 ( 3.843 -2.785 -0.550) 4.778 29.686 ( -6.112 6.824 -0.090) 9.162 29.826 ( -5.641 -7.254 -0.701) 9.216 29.945 ( 3.898 2.028 2.028) 4.840 29.961 ( 2.000 -0.561 0.979) 2.297 30.190 ( 14.317 3.965 7.342) 16.571 30.303 ( 14.842 -7.040 11.268) 19.920 31.377 ( -10.615 4.899 -13.232) 17.657 31.456 ( -10.478 -3.836 -13.748) 17.706 31.565 ( -3.997 3.599 5.030) 7.364 31.658 ( -4.265 -6.512 6.161) 9.927 32.049 ( 1.025 2.624 -0.171) 2.822 32.078 ( 2.018 -0.529 1.178) 2.395 32.219 ( 3.653 1.970 2.402) 4.795 32.269 ( 4.870 -2.965 2.093) 6.074 32.750 ( -4.341 3.997 0.353) 5.911 32.831 ( -0.917 -3.757 1.736) 4.239 33.064 ( -1.346 -1.533 0.945) 2.248 33.103 ( 0.809 -5.069 -2.091) 5.543 33.712 ( -2.774 7.250 -12.778) 14.951 33.812 ( -2.134 -1.127 -3.807) 4.508 33.906 ( 2.576 4.356 4.685) 6.896 34.030 ( 4.499 -6.785 16.337) 18.253 38.521 ( -0.237 -2.073 -0.034) 2.087 38.531 ( 0.312 -3.090 0.364) 3.127 38.987 ( -5.425 10.929 -4.941) 13.164 39.144 ( 0.659 -3.811 -4.383) 5.846 39.447 ( 7.197 5.134 2.841) 9.286 39.569 ( 10.532 -6.102 2.793) 12.488 40.315 ( -1.219 3.925 1.393) 4.340 40.346 ( 0.600 0.748 3.839) 3.957 41.423 ( -1.252 -1.166 0.544) 1.795 41.434 ( -0.527 -2.285 -2.337) 3.311 42.221 ( -2.649 4.854 -0.229) 5.534 42.253 ( -0.422 1.954 -2.052) 2.865 42.592 ( -1.040 0.366 -3.218) 3.402 42.609 ( -0.357 -1.210 0.057) 1.263 43.214 ( -2.214 0.860 2.786) 3.661 43.294 ( 3.382 -7.237 0.919) 8.041 ======================= Grid point 149 (83/84) ======================= q-point: (-0.25 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 6.964 20.128 -2.999) 21.509 2.199 ( -4.495 9.951 2.481) 11.198 2.221 ( 3.558 -0.616 1.884) 4.073 2.402 ( -7.764 -1.652 5.630) 9.732 2.563 ( 5.102 0.677 4.794) 7.034 2.653 ( 9.723 -8.007 1.157) 12.649 2.708 ( -4.080 11.814 -0.799) 12.524 2.929 ( 0.066 -1.733 -4.689) 5.000 3.038 ( 8.288 -2.625 -0.158) 8.696 3.067 ( -0.340 -10.528 -1.535) 10.645 3.210 ( 7.037 7.418 -0.601) 10.243 3.356 ( 7.189 -7.468 1.732) 10.510 3.605 ( 4.072 5.197 2.159) 6.947 3.642 ( 6.680 4.202 -3.157) 8.500 3.699 ( 11.879 -1.760 1.439) 12.095 3.731 ( 2.064 -5.920 -0.474) 6.288 4.021 ( -6.912 2.678 -2.173) 7.725 4.093 ( -2.064 -5.275 -3.179) 6.496 4.329 ( -0.432 5.687 -1.720) 5.957 4.411 ( -3.656 -0.523 -2.781) 4.623 4.569 ( 5.418 1.539 2.247) 6.064 4.586 ( -1.520 1.283 2.254) 3.006 4.818 ( -2.319 5.376 4.370) 7.305 5.039 ( -0.010 -12.611 6.743) 14.301 5.116 ( 4.758 3.647 5.203) 7.938 5.201 ( -0.256 -4.405 3.874) 5.872 5.298 ( 0.006 5.208 -0.645) 5.248 5.401 ( 0.060 -4.554 -3.277) 5.611 5.603 ( -1.694 5.989 5.340) 8.201 5.709 ( 0.061 0.321 0.446) 0.553 5.752 ( -1.071 2.688 -0.560) 2.947 5.880 ( -2.961 -6.306 -1.952) 7.235 5.956 ( 2.887 1.540 1.620) 3.651 6.041 ( -5.873 -4.626 1.457) 7.617 6.112 ( 3.837 6.559 -1.269) 7.704 6.213 ( 0.059 -4.527 -1.438) 4.750 6.428 ( 13.255 5.328 -7.881) 16.316 6.550 ( 1.712 4.049 -2.972) 5.306 6.590 ( 4.573 -1.945 -4.668) 6.818 6.651 ( 3.171 3.697 1.242) 5.027 6.716 ( -0.858 -1.052 -1.531) 2.047 6.804 ( 0.101 -3.248 -1.043) 3.412 6.940 ( 3.037 -1.658 3.224) 4.730 7.018 ( 1.761 -9.129 0.449) 9.308 7.378 ( 1.708 7.537 4.913) 9.157 7.471 ( -5.082 8.182 -8.588) 12.905 7.551 ( 5.178 -7.893 6.192) 11.289 7.703 ( -3.872 -14.321 -8.757) 17.227 7.826 ( -6.650 1.455 -4.118) 7.956 7.913 ( -5.770 -6.201 -2.714) 8.895 8.313 ( -1.437 9.937 1.715) 10.186 8.420 ( -4.092 -2.196 3.794) 5.997 8.769 ( -2.368 -0.211 1.473) 2.797 8.796 ( -0.849 -4.348 1.904) 4.822 9.001 ( -1.277 7.547 -2.339) 8.004 9.143 ( 2.797 -4.850 -0.589) 5.629 9.359 ( -6.280 0.212 -7.412) 9.717 9.408 ( -3.466 -2.485 -2.768) 5.084 9.618 ( -2.981 6.102 -3.326) 7.562 9.725 ( -1.617 -1.990 -3.073) 4.002 9.828 ( -8.093 4.350 -0.893) 9.232 9.892 ( -4.042 0.332 -2.937) 5.007 10.029 ( 1.219 1.684 3.970) 4.482 10.178 ( 5.530 -9.080 -0.630) 10.650 10.434 ( 3.784 8.820 4.583) 10.636 10.577 ( -1.241 0.427 0.146) 1.320 10.637 ( -3.972 -7.187 3.597) 8.964 10.647 ( -5.013 -2.851 -2.559) 6.309 10.938 ( -5.503 4.415 1.337) 7.180 10.977 ( -3.070 -0.145 2.858) 4.197 11.283 ( -0.012 7.305 2.347) 7.673 11.383 ( 2.589 -2.460 1.416) 3.842 11.477 ( 2.142 0.699 1.632) 2.782 11.531 ( 1.935 -4.419 1.414) 5.027 11.896 ( 6.563 5.059 -1.153) 8.367 12.037 ( 3.393 -8.482 -3.082) 9.641 12.273 ( 2.228 3.929 4.316) 6.247 12.356 ( 2.118 -4.463 8.139) 9.521 12.600 ( 4.955 3.600 -3.359) 6.985 12.691 ( 4.673 -4.023 -4.253) 7.491 12.790 ( 0.340 2.427 -0.600) 2.523 12.876 ( -1.371 -1.609 1.539) 2.615 13.056 ( -0.093 0.697 -0.566) 0.903 13.147 ( 2.688 -5.046 0.531) 5.742 13.439 ( -3.595 5.181 -2.539) 6.798 13.516 ( -3.215 -1.882 -3.572) 5.161 13.768 ( -3.650 8.504 -0.139) 9.255 13.904 ( -3.000 -4.232 2.433) 5.730 14.202 ( 1.553 3.150 -1.295) 3.743 14.241 ( -0.844 -1.431 1.185) 2.041 14.639 ( 2.417 4.487 1.826) 5.414 14.706 ( 4.627 -2.751 2.692) 6.019 15.047 ( -3.148 2.362 -2.812) 4.837 15.093 ( -0.253 -1.814 -2.750) 3.304 15.249 ( 1.684 6.935 1.725) 7.342 15.394 ( 4.396 -6.851 2.565) 8.535 15.598 ( -1.922 0.831 -8.536) 8.789 15.629 ( -0.802 -0.615 -3.159) 3.317 15.979 ( -1.147 8.338 -0.611) 8.438 16.147 ( -1.147 4.385 -0.019) 4.532 16.196 ( 0.039 -6.757 0.657) 6.789 16.315 ( -0.657 -8.005 -0.448) 8.045 16.596 ( 0.967 -0.635 3.681) 3.859 16.620 ( -2.075 -3.456 1.013) 4.156 17.328 ( -3.013 10.000 1.885) 10.613 17.426 ( -1.554 5.101 -2.633) 5.947 17.506 ( -3.964 -6.903 -0.792) 7.999 17.540 ( -1.044 -6.595 2.992) 7.317 17.896 ( 10.844 12.333 6.597) 17.698 18.071 ( 0.746 -1.421 1.999) 2.564 18.109 ( 3.242 0.429 -0.015) 3.271 18.197 ( 9.161 -9.207 4.406) 13.716 18.240 ( 6.300 5.915 6.434) 10.774 18.376 ( 8.602 -7.055 6.272) 12.771 18.788 ( -11.547 2.430 -12.655) 17.303 18.826 ( -15.444 -2.343 -14.705) 21.453 18.992 ( -3.884 2.733 -1.274) 4.918 19.077 ( -2.625 -5.053 0.517) 5.717 19.269 ( 2.634 0.413 3.296) 4.240 19.297 ( 2.037 -2.750 4.200) 5.418 19.413 ( -1.044 6.037 -5.607) 8.305 19.508 ( 1.298 -3.706 -4.254) 5.790 19.809 ( -0.335 3.288 0.894) 3.423 19.872 ( -0.109 -3.038 2.475) 3.920 20.118 ( -1.783 4.816 -5.919) 7.836 20.171 ( -1.266 -0.499 -2.839) 3.148 20.582 ( 4.631 2.391 4.813) 7.094 20.656 ( 4.314 -5.615 3.016) 7.696 20.925 ( -4.357 11.982 -2.953) 13.087 21.132 ( -3.310 -9.145 -3.983) 10.509 21.837 ( 1.746 7.356 0.937) 7.618 21.965 ( -1.341 -6.364 -0.369) 6.514 22.089 ( -0.731 2.382 0.426) 2.528 22.162 ( 0.464 -5.136 1.360) 5.334 22.384 ( -0.886 5.571 3.187) 6.479 22.490 ( 0.346 -4.986 4.894) 6.995 22.568 ( -1.990 2.353 -0.785) 3.180 22.607 ( -1.148 -1.361 -0.696) 1.912 23.198 ( 14.102 5.576 16.718) 22.571 23.338 ( 13.771 -9.159 18.246) 24.626 24.200 ( -16.823 14.207 -12.590) 25.365 24.459 ( -12.230 -13.030 -12.419) 21.762 24.944 ( 1.738 1.789 -0.267) 2.509 24.980 ( 2.264 -1.929 0.279) 2.987 25.434 ( 1.893 14.222 0.331) 14.351 25.647 ( 2.694 -5.882 3.238) 7.235 25.792 ( -5.659 2.822 -3.415) 7.187 25.929 ( -1.104 -11.907 -4.607) 12.815 26.435 ( 1.101 5.080 -2.568) 5.797 26.569 ( 1.748 -8.649 -4.124) 9.740 27.324 ( 3.849 3.133 8.209) 9.593 27.328 ( 3.412 1.914 4.818) 6.207 27.414 ( -4.809 0.117 1.480) 5.033 27.457 ( -6.472 -3.791 0.822) 7.546 27.811 ( 4.083 5.277 -0.918) 6.735 27.927 ( 6.010 -6.151 2.122) 8.857 28.185 ( -3.711 2.158 -1.954) 4.717 28.211 ( -4.715 -0.747 -3.550) 5.949 28.281 ( -1.205 -1.337 -3.403) 3.850 28.297 ( -0.504 -2.665 -3.289) 4.263 28.510 ( -3.553 6.311 -8.093) 10.860 28.614 ( -0.016 -2.969 -6.729) 7.355 28.948 ( 1.003 2.085 1.518) 2.767 28.986 ( 0.541 -1.609 -0.712) 1.841 29.095 ( -1.167 6.842 0.424) 6.954 29.208 ( 0.222 -4.345 -0.303) 4.361 29.644 ( -0.930 4.693 1.170) 4.925 29.741 ( -2.707 -5.108 -0.457) 5.799 29.996 ( 3.657 2.969 -1.063) 4.829 30.034 ( 4.399 -0.510 1.237) 4.598 30.547 ( 14.007 5.126 2.337) 15.097 30.652 ( 11.783 -5.979 1.563) 13.305 30.998 ( -13.590 4.059 -12.635) 18.995 31.076 ( -11.749 -4.165 -8.421) 15.043 31.564 ( -5.026 1.484 8.128) 9.671 31.633 ( -6.387 -5.955 6.656) 10.980 32.134 ( 3.053 3.954 4.812) 6.937 32.190 ( 5.476 -2.157 5.193) 7.849 32.256 ( 0.017 3.923 -0.659) 3.978 32.317 ( -0.137 -2.377 -0.241) 2.393 32.734 ( -1.288 4.301 3.881) 5.935 32.837 ( -2.843 -5.674 4.242) 7.634 33.052 ( -1.486 -0.838 0.408) 1.754 33.084 ( -0.297 -4.279 -1.499) 4.543 33.524 ( -1.188 5.932 -12.654) 14.026 33.625 ( -1.847 -4.446 -13.140) 13.994 34.125 ( 3.140 9.644 14.216) 17.463 34.291 ( 2.002 -8.488 15.639) 17.907 38.512 ( 0.083 -0.628 -0.912) 1.110 38.547 ( 0.101 -4.296 1.311) 4.493 38.814 ( -2.109 10.795 -11.618) 15.999 39.009 ( -1.227 -9.394 -12.291) 15.519 39.661 ( 10.898 7.686 4.357) 14.029 39.772 ( 8.943 -3.872 3.598) 10.389 40.348 ( -0.159 7.159 4.960) 8.711 40.443 ( 1.165 -2.695 7.748) 8.286 41.398 ( -0.612 -0.237 -0.402) 0.770 41.418 ( -0.297 -2.241 1.597) 2.768 42.158 ( -2.807 6.060 -1.188) 6.784 42.226 ( -2.626 -0.333 0.903) 2.797 42.544 ( -1.063 2.252 -1.282) 2.801 42.598 ( -1.692 -2.857 0.568) 3.369 43.221 ( -0.776 2.889 1.653) 3.418 43.345 ( 3.457 -9.647 -1.193) 10.317 ======================= Grid point 150 (84/84) ======================= q-point: (-0.12 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 3.263 24.401 3.648) 24.887 2.229 ( -1.770 17.283 13.410) 21.947 2.340 ( 0.818 4.489 -0.092) 4.564 2.421 ( 7.283 -11.219 4.629) 14.154 2.629 ( 1.327 9.090 -2.805) 9.605 2.714 ( -3.441 -3.440 10.657) 11.715 2.780 ( -5.540 -7.646 -1.285) 9.529 2.824 ( 7.781 -8.225 -3.116) 11.743 3.072 ( 3.831 4.306 -1.663) 5.998 3.137 ( 1.105 -2.039 1.559) 2.794 3.389 ( 14.427 3.402 1.613) 14.911 3.472 ( 4.967 -5.203 1.663) 7.383 3.620 ( 1.259 1.461 -1.299) 2.325 3.645 ( 1.917 -0.049 -4.122) 4.546 3.770 ( -0.200 2.454 -1.300) 2.784 3.829 ( 5.921 -1.185 0.133) 6.040 3.958 ( 0.603 2.504 1.870) 3.183 4.050 ( 2.590 -7.354 -1.596) 7.959 4.286 ( -1.450 2.932 -3.634) 4.889 4.320 ( -2.970 -0.001 -3.154) 4.332 4.589 ( -1.134 5.562 2.693) 6.283 4.698 ( 4.646 -4.353 5.287) 8.275 4.851 ( 1.266 9.361 0.635) 9.468 5.043 ( -5.936 -2.850 2.881) 7.188 5.156 ( -4.888 4.525 0.068) 6.661 5.234 ( 1.392 -0.818 0.338) 1.649 5.309 ( -4.364 4.775 7.071) 9.583 5.411 ( 3.809 -4.438 0.526) 5.872 5.617 ( -2.770 5.185 -1.369) 6.036 5.689 ( -3.315 5.408 -0.598) 6.371 5.758 ( 0.524 -1.743 3.912) 4.315 5.823 ( 2.369 -5.750 -5.243) 8.135 5.940 ( 3.863 3.249 -6.120) 7.933 6.021 ( 1.698 -0.312 -2.575) 3.100 6.097 ( -3.971 -3.158 -3.560) 6.198 6.169 ( 0.306 -7.295 -5.655) 9.235 6.361 ( -3.850 0.940 -5.543) 6.814 6.389 ( -6.235 -0.395 -2.087) 6.587 6.633 ( 1.928 1.702 -4.439) 5.130 6.704 ( 4.464 6.244 -0.452) 7.689 6.768 ( 3.580 -9.308 -7.185) 12.291 6.823 ( 3.669 -5.892 -0.480) 6.958 7.020 ( -0.528 0.488 4.566) 4.622 7.068 ( -3.185 -4.493 -1.050) 5.606 7.406 ( -0.816 4.811 1.995) 5.272 7.481 ( 7.812 7.435 3.936) 11.481 7.505 ( -4.970 -5.400 -2.746) 7.836 7.648 ( -0.068 -10.449 -0.063) 10.449 7.848 ( 6.855 2.881 7.567) 10.609 7.934 ( 8.802 -7.131 3.051) 11.732 8.279 ( -4.893 9.149 0.918) 10.416 8.416 ( -4.576 -5.271 3.524) 7.819 8.707 ( -2.825 -1.143 -1.044) 3.222 8.767 ( -2.307 -7.201 1.143) 7.647 9.050 ( 8.032 6.815 1.312) 10.615 9.146 ( -2.391 -1.246 -3.820) 4.676 9.211 ( -1.308 2.581 -6.073) 6.727 9.327 ( -3.076 -8.571 -2.323) 9.398 9.543 ( -1.995 6.552 -2.447) 7.273 9.631 ( -4.953 -0.114 -4.900) 6.969 9.752 ( -4.689 6.040 3.281) 8.321 9.833 ( -0.866 -1.385 -0.664) 1.763 10.072 ( -0.763 -3.031 2.106) 3.768 10.153 ( 0.276 -7.186 -8.187) 10.897 10.472 ( -7.387 3.798 0.392) 8.315 10.531 ( 2.360 8.683 0.376) 9.006 10.565 ( -2.175 -3.072 2.163) 4.341 10.682 ( -0.102 -2.484 -0.763) 2.600 10.873 ( -1.233 -0.500 -0.318) 1.368 10.921 ( -5.002 -4.428 0.008) 6.680 11.340 ( -0.644 5.069 5.384) 7.423 11.403 ( -0.467 -1.307 0.007) 1.388 11.536 ( 1.119 -0.645 1.715) 2.146 11.568 ( 2.024 -3.235 1.727) 4.188 11.967 ( 4.440 2.318 -1.011) 5.110 12.031 ( 0.823 -4.579 -2.274) 5.178 12.388 ( 3.627 8.465 6.572) 11.314 12.508 ( 1.774 -2.237 7.376) 7.909 12.623 ( 3.170 3.377 -2.447) 5.238 12.712 ( 4.869 -2.313 -4.008) 6.717 12.818 ( 2.699 3.537 0.706) 4.505 12.886 ( -0.183 -0.393 2.379) 2.418 13.057 ( 0.920 0.691 1.228) 1.683 13.186 ( 1.849 -7.834 0.491) 8.065 13.368 ( -2.518 3.254 -1.618) 4.422 13.426 ( -4.057 -2.705 -1.797) 5.197 13.714 ( -1.575 8.238 -2.386) 8.720 13.840 ( -5.162 -3.806 -2.917) 7.045 14.225 ( 1.721 1.153 1.160) 2.374 14.256 ( 0.502 -2.595 1.730) 3.159 14.652 ( -0.613 5.760 -1.825) 6.073 14.734 ( -1.858 -2.788 -3.101) 4.565 15.008 ( 1.325 2.202 1.234) 2.851 15.084 ( 1.436 -4.957 -0.054) 5.161 15.265 ( -0.360 6.939 -0.527) 6.968 15.397 ( -1.831 -4.577 -6.347) 8.036 15.538 ( 3.144 3.374 1.322) 4.798 15.656 ( 3.688 -7.372 -0.752) 8.277 15.980 ( -0.049 12.007 0.190) 12.008 16.082 ( -3.424 6.154 -2.669) 7.531 16.182 ( -0.827 -5.575 -1.767) 5.907 16.263 ( -2.600 -9.803 -2.250) 10.389 16.635 ( 0.621 2.752 4.329) 5.167 16.711 ( 3.777 -4.543 7.270) 9.368 17.328 ( -2.737 13.113 0.589) 13.409 17.418 ( 1.803 2.035 3.707) 4.597 17.505 ( 1.522 -4.790 2.130) 5.459 17.570 ( 0.478 -10.152 6.414) 12.017 17.910 ( -8.088 10.777 -11.449) 17.682 17.975 ( -7.269 0.828 -9.238) 11.784 18.094 ( -1.896 -0.478 -5.166) 5.524 18.222 ( -3.177 -2.332 -5.893) 7.089 18.230 ( -7.084 -5.294 -9.693) 13.121 18.272 ( -4.468 -2.547 -4.520) 6.847 18.760 ( 5.784 4.430 4.782) 8.715 18.812 ( 11.253 0.018 10.850) 15.632 19.043 ( 2.647 2.156 4.953) 6.015 19.149 ( 6.856 -5.851 10.844) 14.101 19.302 ( 0.502 3.712 1.308) 3.968 19.383 ( 1.429 -5.122 3.658) 6.454 19.494 ( 8.175 4.037 5.167) 10.480 19.577 ( 8.129 -3.726 4.934) 10.213 19.834 ( 0.711 3.284 1.748) 3.788 19.897 ( -1.619 -3.103 2.667) 4.401 20.010 ( -0.822 6.268 -6.988) 9.423 20.103 ( -1.098 -3.143 -4.953) 5.968 20.535 ( -6.272 3.602 -5.958) 9.371 20.634 ( -4.015 -6.242 -5.390) 9.172 21.037 ( 8.857 11.613 11.412) 18.535 21.230 ( 9.387 -8.712 9.976) 16.234 21.837 ( -0.815 6.897 -2.030) 7.236 21.962 ( 0.440 -6.513 0.623) 6.557 22.095 ( 0.080 1.866 1.599) 2.458 22.157 ( -1.608 -4.359 -0.425) 4.666 22.365 ( -3.555 5.762 0.047) 6.771 22.483 ( -5.082 -6.381 -0.429) 8.169 22.542 ( 0.069 3.649 0.067) 3.650 22.593 ( 0.183 -1.524 0.229) 1.552 23.183 ( -17.517 4.275 -14.457) 23.112 23.281 ( -20.216 -6.451 -15.840) 26.481 24.205 ( 13.669 17.267 16.890) 27.754 24.534 ( 14.579 -16.449 15.728) 27.027 24.969 ( 1.611 2.131 -0.298) 2.687 25.012 ( 1.535 -2.392 -0.183) 2.848 25.407 ( -2.281 12.302 -3.133) 12.898 25.619 ( -5.307 -7.086 -2.389) 9.170 25.723 ( -0.740 4.031 -1.145) 4.255 25.851 ( -0.557 -11.501 -6.230) 13.092 26.495 ( 6.524 5.591 3.562) 9.301 26.620 ( 7.119 -6.892 2.378) 10.189 27.288 ( -9.373 4.339 -4.012) 11.080 27.321 ( -7.198 -0.110 -2.623) 7.662 27.373 ( -1.730 2.588 1.150) 3.318 27.449 ( -1.460 -2.971 1.804) 3.771 27.780 ( -1.668 3.262 -4.221) 5.589 27.873 ( -3.721 -5.623 -7.707) 10.240 28.180 ( 1.307 2.310 0.106) 2.656 28.233 ( 3.714 -3.226 2.044) 5.327 28.310 ( 2.434 0.984 1.401) 2.976 28.334 ( 3.366 -1.189 3.865) 5.262 28.469 ( 8.263 5.085 2.243) 9.958 28.587 ( 7.358 -5.920 -1.417) 9.550 28.971 ( -0.410 1.412 0.823) 1.685 28.986 ( -1.640 -0.341 1.065) 1.985 29.077 ( -0.254 5.469 0.448) 5.493 29.170 ( -0.935 -3.964 -2.148) 4.605 29.669 ( -0.107 3.589 1.267) 3.807 29.745 ( 0.504 -4.292 1.312) 4.517 30.027 ( -0.394 5.884 -2.187) 6.290 30.086 ( 2.455 1.675 -1.134) 3.181 30.331 ( -13.390 -2.226 -17.856) 22.429 30.353 ( -15.471 -4.331 -23.180) 28.203 31.046 ( 9.458 3.598 5.127) 11.344 31.110 ( 7.248 -3.136 4.307) 8.995 31.669 ( -0.473 -0.598 11.681) 11.706 31.688 ( -1.075 -2.402 10.392) 10.720 32.160 ( -1.362 5.539 1.018) 5.794 32.236 ( -1.714 -0.819 -0.266) 1.918 32.314 ( 2.409 1.201 3.564) 4.466 32.355 ( 3.567 -2.417 3.937) 5.837 32.784 ( -0.514 3.466 5.139) 6.220 32.855 ( -2.386 -3.170 4.645) 6.109 33.030 ( -1.882 -0.860 0.286) 2.089 33.067 ( 0.133 -4.639 -0.634) 4.684 33.355 ( -1.165 4.728 -11.858) 12.819 33.444 ( -1.404 -4.376 -12.214) 13.050 34.315 ( 1.346 8.383 10.970) 13.872 34.448 ( -2.022 -6.154 9.523) 11.517 38.502 ( -0.090 1.071 -0.627) 1.244 38.565 ( -0.181 -5.424 1.771) 5.709 38.660 ( -0.178 9.226 -10.157) 13.722 38.846 ( -0.003 -10.093 -12.036) 15.708 39.819 ( 6.527 5.976 0.611) 8.871 39.889 ( 4.111 -1.355 -0.204) 4.333 40.410 ( -0.109 8.381 4.806) 9.662 40.511 ( -3.092 -1.679 4.333) 5.582 41.426 ( 1.369 0.571 2.952) 3.304 41.469 ( 2.656 -3.730 2.712) 5.322 42.144 ( -0.293 5.549 3.071) 6.349 42.217 ( -0.291 -1.519 1.995) 2.524 42.532 ( 0.030 2.420 0.361) 2.447 42.579 ( -1.149 -2.274 0.014) 2.548 43.229 ( -1.042 1.816 1.877) 2.812 43.357 ( 1.429 -10.858 -2.821) 11.309 =================== 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 3/57120 10.0 830.583 615.496 759.098 0.000 163.970 0.000 3/57120 20.0 151.288 140.779 156.950 0.000 42.548 0.000 3/57120 30.0 55.199 56.032 59.446 0.000 16.189 0.000 3/57120 40.0 29.345 30.219 31.762 0.000 8.523 0.000 3/57120 50.0 18.966 19.470 20.488 0.000 5.431 0.000 3/57120 60.0 13.735 14.029 14.800 0.000 3.890 0.000 3/57120 70.0 10.686 10.874 11.491 0.000 3.003 0.000 3/57120 80.0 8.723 8.857 9.367 0.000 2.441 0.000 3/57120 90.0 7.366 7.471 7.901 0.000 2.056 0.000 3/57120 100.0 6.377 6.466 6.835 0.000 1.779 0.000 3/57120 110.0 5.627 5.707 6.027 0.000 1.571 0.000 3/57120 120.0 5.040 5.114 5.396 0.000 1.411 0.000 3/57120 130.0 4.569 4.638 4.891 0.000 1.284 0.000 3/57120 140.0 4.184 4.249 4.478 0.000 1.183 0.000 3/57120 150.0 3.865 3.924 4.136 0.000 1.100 0.000 3/57120 160.0 3.595 3.650 3.847 0.000 1.032 0.000 3/57120 170.0 3.365 3.414 3.601 0.000 0.975 0.000 3/57120 180.0 3.166 3.210 3.388 0.000 0.927 0.000 3/57120 190.0 2.993 3.031 3.204 0.000 0.887 0.000 3/57120 200.0 2.841 2.874 3.041 0.000 0.852 0.000 3/57120 210.0 2.706 2.733 2.897 0.000 0.821 0.000 3/57120 220.0 2.585 2.607 2.769 0.000 0.795 0.000 3/57120 230.0 2.477 2.493 2.654 0.000 0.771 0.000 3/57120 240.0 2.379 2.390 2.549 0.000 0.750 0.000 3/57120 250.0 2.290 2.296 2.455 0.000 0.731 0.000 3/57120 260.0 2.209 2.209 2.368 0.000 0.713 0.000 3/57120 270.0 2.134 2.130 2.288 0.000 0.697 0.000 3/57120 280.0 2.065 2.056 2.215 0.000 0.682 0.000 3/57120 290.0 2.000 1.988 2.147 0.000 0.667 0.000 3/57120 300.0 1.941 1.925 2.084 0.000 0.654 0.000 3/57120 310.0 1.885 1.866 2.024 0.000 0.641 0.000 3/57120 320.0 1.833 1.811 1.969 0.000 0.629 0.000 3/57120 330.0 1.784 1.759 1.917 0.000 0.618 0.000 3/57120 340.0 1.738 1.710 1.868 0.000 0.607 0.000 3/57120 350.0 1.694 1.664 1.822 0.000 0.596 0.000 3/57120 360.0 1.653 1.621 1.778 0.000 0.586 0.000 3/57120 370.0 1.614 1.580 1.737 0.000 0.576 0.000 3/57120 380.0 1.577 1.541 1.698 0.000 0.567 0.000 3/57120 390.0 1.542 1.504 1.660 0.000 0.558 0.000 3/57120 400.0 1.508 1.469 1.624 0.000 0.549 0.000 3/57120 410.0 1.476 1.435 1.590 0.000 0.540 0.000 3/57120 420.0 1.445 1.404 1.558 0.000 0.531 0.000 3/57120 430.0 1.416 1.373 1.527 0.000 0.523 0.000 3/57120 440.0 1.388 1.344 1.497 0.000 0.515 0.000 3/57120 450.0 1.361 1.316 1.468 0.000 0.507 0.000 3/57120 460.0 1.335 1.290 1.441 0.000 0.500 0.000 3/57120 470.0 1.310 1.264 1.414 0.000 0.492 0.000 3/57120 480.0 1.286 1.240 1.389 0.000 0.485 0.000 3/57120 490.0 1.263 1.216 1.364 0.000 0.478 0.000 3/57120 500.0 1.241 1.194 1.341 0.000 0.471 0.000 3/57120 510.0 1.219 1.172 1.318 0.000 0.465 0.000 3/57120 520.0 1.199 1.151 1.296 0.000 0.458 0.000 3/57120 530.0 1.179 1.131 1.275 0.000 0.452 0.000 3/57120 540.0 1.159 1.111 1.254 0.000 0.445 0.000 3/57120 550.0 1.141 1.093 1.234 0.000 0.439 0.000 3/57120 560.0 1.123 1.075 1.215 0.000 0.433 0.000 3/57120 570.0 1.105 1.057 1.196 0.000 0.428 0.000 3/57120 580.0 1.088 1.040 1.178 0.000 0.422 0.000 3/57120 590.0 1.072 1.024 1.161 0.000 0.416 0.000 3/57120 600.0 1.056 1.008 1.144 0.000 0.411 0.000 3/57120 610.0 1.040 0.992 1.127 0.000 0.406 0.000 3/57120 620.0 1.025 0.977 1.111 0.000 0.400 0.000 3/57120 630.0 1.010 0.963 1.096 0.000 0.395 0.000 3/57120 640.0 0.996 0.949 1.080 0.000 0.390 0.000 3/57120 650.0 0.982 0.935 1.066 0.000 0.386 0.000 3/57120 660.0 0.969 0.922 1.051 0.000 0.381 0.000 3/57120 670.0 0.956 0.909 1.037 0.000 0.376 0.000 3/57120 680.0 0.943 0.897 1.024 0.000 0.372 0.000 3/57120 690.0 0.931 0.885 1.011 0.000 0.367 0.000 3/57120 700.0 0.919 0.873 0.998 0.000 0.363 0.000 3/57120 710.0 0.907 0.861 0.985 0.000 0.359 0.000 3/57120 720.0 0.896 0.850 0.973 0.000 0.355 0.000 3/57120 730.0 0.884 0.839 0.961 0.000 0.351 0.000 3/57120 740.0 0.873 0.829 0.949 0.000 0.347 0.000 3/57120 750.0 0.863 0.818 0.938 0.000 0.343 0.000 3/57120 760.0 0.852 0.808 0.927 0.000 0.339 0.000 3/57120 770.0 0.842 0.798 0.916 0.000 0.335 0.000 3/57120 780.0 0.832 0.789 0.905 0.000 0.331 0.000 3/57120 790.0 0.823 0.779 0.895 0.000 0.328 0.000 3/57120 800.0 0.813 0.770 0.885 0.000 0.324 0.000 3/57120 810.0 0.804 0.761 0.875 0.000 0.321 0.000 3/57120 820.0 0.795 0.753 0.865 0.000 0.317 0.000 3/57120 830.0 0.786 0.744 0.856 0.000 0.314 0.000 3/57120 840.0 0.778 0.736 0.846 0.000 0.311 0.000 3/57120 850.0 0.769 0.728 0.837 0.000 0.308 0.000 3/57120 860.0 0.761 0.720 0.828 0.000 0.305 0.000 3/57120 870.0 0.753 0.712 0.820 0.000 0.301 0.000 3/57120 880.0 0.745 0.704 0.811 0.000 0.298 0.000 3/57120 890.0 0.737 0.697 0.803 0.000 0.295 0.000 3/57120 900.0 0.730 0.689 0.795 0.000 0.293 0.000 3/57120 910.0 0.722 0.682 0.787 0.000 0.290 0.000 3/57120 920.0 0.715 0.675 0.779 0.000 0.287 0.000 3/57120 930.0 0.708 0.668 0.771 0.000 0.284 0.000 3/57120 940.0 0.701 0.662 0.764 0.000 0.281 0.000 3/57120 950.0 0.694 0.655 0.756 0.000 0.279 0.000 3/57120 960.0 0.687 0.649 0.749 0.000 0.276 0.000 3/57120 970.0 0.680 0.642 0.742 0.000 0.274 0.000 3/57120 980.0 0.674 0.636 0.735 0.000 0.271 0.000 3/57120 990.0 0.668 0.630 0.728 0.000 0.269 0.000 3/57120 1000.0 0.661 0.624 0.721 0.000 0.266 0.000 3/57120 Thermal conductivity related properties were written into "kappa-m875.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:35:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|