----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:18:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.946379525015185 -3.928473679999999 0.000000000000000 b 7.946379525015185 3.928473679999999 0.000000000000000 c -1.467628309517379 0.000000000000000 10.731824899202092 Atomic positions (fractional): *1 Si 0.37662623152058 0.30318800681480 0.96944305855240 28.085 2 Si 0.62337376847942 0.69681199318520 0.03055694144760 28.085 3 Si 0.30318800681480 0.37662623152058 0.46944305855240 28.085 4 Si 0.69681199318520 0.62337376847942 0.53055694144760 28.085 *5 S 0.72018784354532 0.41428169752060 0.04436728604046 32.065 6 S 0.58571830247941 0.27981215645468 0.45563271395954 32.065 7 S 0.27981215645468 0.58571830247941 0.95563271395954 32.065 8 S 0.41428169752059 0.72018784354532 0.54436728604046 32.065 *9 S 0.75273834416979 0.54725628965108 0.33967403103869 32.065 10 S 0.54725628965108 0.75273834416979 0.83967403103869 32.065 11 S 0.45274371034892 0.24726165583021 0.16032596896131 32.065 12 S 0.24726165583021 0.45274371034892 0.66032596896131 32.065 *13 S 0.89044596116398 0.40063894219568 0.64920510744546 32.065 14 S 0.59936105780432 0.10955403883601 0.85079489255454 32.065 15 S 0.10955403883602 0.59936105780432 0.35079489255454 32.065 16 S 0.40063894219568 0.89044596116399 0.14920510744546 32.065 *17 S 0.71252823417482 0.85299728251370 0.58587525696036 32.065 18 S 0.14700271748630 0.28747176582518 0.91412474303964 32.065 19 S 0.28747176582518 0.14700271748630 0.41412474303964 32.065 20 S 0.85299728251370 0.71252823417482 0.08587525696036 32.065 *21 I 0.98627854070512 0.01372145929488 0.25000000000000 126.904 22 I 0.01372145929488 0.98627854070512 0.75000000000000 126.904 *23 La 0.59334858973270 0.40665141026730 0.75000000000000 138.905 24 La 0.40665141026730 0.59334858973270 0.25000000000000 138.905 *25 La 0.31845057119419 0.07725738523635 0.68029953543916 138.905 26 La 0.92274261476365 0.68154942880581 0.81970046456084 138.905 27 La 0.68154942880581 0.92274261476365 0.31970046456084 138.905 28 La 0.07725738523635 0.31845057119419 0.18029953543916 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.892759050030371 0.000000000000000 0.000000000000000 b 0.000000000000000 7.856947359999999 0.000000000000000 c -1.467628309517379 0.000000000000000 10.731824899202092 Atomic positions (fractional): *1 Si 0.33990711916769 0.96328088764711 0.96944305855240 28.085 > 1 2 Si 0.16009288083231 0.53671911235289 0.03055694144760 28.085 > 2 3 Si 0.33990711916769 0.03671911235289 0.46944305855240 28.085 > 3 4 Si 0.16009288083231 0.46328088764711 0.53055694144760 28.085 > 4 5 Si 0.83990711916769 0.46328088764711 0.96944305855240 28.085 > 1 6 Si 0.66009288083231 0.03671911235289 0.03055694144760 28.085 > 2 7 Si 0.83990711916769 0.53671911235289 0.46944305855240 28.085 > 3 8 Si 0.66009288083231 0.96328088764711 0.53055694144760 28.085 > 4 *9 S 0.06723477053296 0.34704692698764 0.04436728604046 32.065 > 5 10 S 0.43276522946704 0.84704692698764 0.45563271395954 32.065 > 6 11 S 0.43276522946704 0.15295307301236 0.95563271395954 32.065 > 7 12 S 0.06723477053296 0.65295307301236 0.54436728604046 32.065 > 8 *13 S 0.14999731691043 0.39725897274064 0.33967403103869 32.065 > 9 14 S 0.14999731691043 0.60274102725935 0.83967403103869 32.065 > 10 15 S 0.35000268308957 0.89725897274065 0.16032596896131 32.065 > 11 16 S 0.35000268308957 0.10274102725935 0.66032596896131 32.065 > 12 *17 S 0.14554245167983 0.25509649051585 0.64920510744546 32.065 > 13 18 S 0.35445754832017 0.75509649051585 0.85079489255454 32.065 > 14 19 S 0.35445754832017 0.24490350948415 0.35079489255454 32.065 > 15 20 S 0.14554245167983 0.74490350948415 0.14920510744546 32.065 > 16 *21 S 0.28276275834426 0.57023452416944 0.58587525696036 32.065 > 17 22 S 0.21723724165574 0.07023452416944 0.91412474303964 32.065 > 18 23 S 0.21723724165574 0.92976547583056 0.41412474303964 32.065 > 19 24 S 0.28276275834426 0.42976547583056 0.08587525696036 32.065 > 20 25 S 0.56723477053296 0.84704692698764 0.04436728604046 32.065 > 5 26 S 0.93276522946704 0.34704692698764 0.45563271395954 32.065 > 6 27 S 0.93276522946704 0.65295307301236 0.95563271395954 32.065 > 7 28 S 0.56723477053296 0.15295307301236 0.54436728604046 32.065 > 8 29 S 0.64999731691043 0.89725897274065 0.33967403103869 32.065 > 9 30 S 0.64999731691043 0.10274102725935 0.83967403103869 32.065 > 10 31 S 0.85000268308957 0.39725897274064 0.16032596896131 32.065 > 11 32 S 0.85000268308957 0.60274102725935 0.66032596896131 32.065 > 12 33 S 0.64554245167983 0.75509649051585 0.64920510744546 32.065 > 13 34 S 0.85445754832017 0.25509649051585 0.85079489255454 32.065 > 14 35 S 0.85445754832017 0.74490350948415 0.35079489255454 32.065 > 15 36 S 0.64554245167983 0.24490350948415 0.14920510744546 32.065 > 16 37 S 0.78276275834426 0.07023452416944 0.58587525696036 32.065 > 17 38 S 0.71723724165574 0.57023452416944 0.91412474303964 32.065 > 18 39 S 0.71723724165574 0.42976547583056 0.41412474303964 32.065 > 19 40 S 0.78276275834426 0.92976547583056 0.08587525696036 32.065 > 20 *41 I 0.00000000000000 0.01372145929488 0.25000000000000 126.904 > 21 42 I 0.00000000000000 0.98627854070512 0.75000000000000 126.904 > 22 43 I 0.50000000000000 0.51372145929488 0.25000000000000 126.904 > 21 44 I 0.50000000000000 0.48627854070512 0.75000000000000 126.904 > 22 *45 La 0.00000000000000 0.40665141026730 0.75000000000000 138.905 > 23 46 La 0.00000000000000 0.59334858973270 0.25000000000000 138.905 > 24 *47 La 0.19785397821527 0.87940340702108 0.68029953543916 138.905 > 25 48 La 0.30214602178473 0.37940340702108 0.81970046456084 138.905 > 26 49 La 0.30214602178473 0.62059659297892 0.31970046456084 138.905 > 27 50 La 0.19785397821527 0.12059659297892 0.18029953543916 138.905 > 28 51 La 0.50000000000000 0.90665141026730 0.75000000000000 138.905 > 23 52 La 0.50000000000000 0.09334858973270 0.25000000000000 138.905 > 24 53 La 0.69785397821527 0.37940340702108 0.68029953543916 138.905 > 25 54 La 0.80214602178473 0.87940340702108 0.81970046456084 138.905 > 26 55 La 0.80214602178473 0.12059659297892 0.31970046456084 138.905 > 27 56 La 0.69785397821527 0.62059659297892 0.18029953543916 138.905 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.892759050030371 0.000000000000000 0.000000000000000 b 0.000000000000000 15.713894719999997 0.000000000000000 c -1.467628309517379 0.000000000000000 10.731824899202092 Atomic positions (fractional): *1 Si 0.33990711916769 0.48164044382356 0.96944305855240 28.085 > 1 2 Si 0.33990711916769 0.98164044382356 0.96944305855240 28.085 > 1 3 Si 0.16009288083231 0.26835955617644 0.03055694144760 28.085 > 2 4 Si 0.16009288083231 0.76835955617644 0.03055694144760 28.085 > 2 5 Si 0.33990711916769 0.01835955617644 0.46944305855240 28.085 > 3 6 Si 0.33990711916769 0.51835955617644 0.46944305855240 28.085 > 3 7 Si 0.16009288083231 0.23164044382356 0.53055694144760 28.085 > 4 8 Si 0.16009288083231 0.73164044382356 0.53055694144760 28.085 > 4 9 Si 0.83990711916769 0.23164044382356 0.96944305855240 28.085 > 1 10 Si 0.83990711916769 0.73164044382356 0.96944305855240 28.085 > 1 11 Si 0.66009288083231 0.01835955617644 0.03055694144760 28.085 > 2 12 Si 0.66009288083231 0.51835955617644 0.03055694144760 28.085 > 2 13 Si 0.83990711916769 0.26835955617644 0.46944305855240 28.085 > 3 14 Si 0.83990711916769 0.76835955617644 0.46944305855240 28.085 > 3 15 Si 0.66009288083231 0.48164044382356 0.53055694144760 28.085 > 4 16 Si 0.66009288083231 0.98164044382356 0.53055694144760 28.085 > 4 *17 S 0.06723477053296 0.17352346349382 0.04436728604046 32.065 > 5 18 S 0.06723477053296 0.67352346349382 0.04436728604046 32.065 > 5 19 S 0.43276522946704 0.42352346349382 0.45563271395954 32.065 > 6 20 S 0.43276522946704 0.92352346349382 0.45563271395954 32.065 > 6 21 S 0.43276522946704 0.07647653650618 0.95563271395954 32.065 > 7 22 S 0.43276522946704 0.57647653650618 0.95563271395954 32.065 > 7 23 S 0.06723477053296 0.32647653650618 0.54436728604046 32.065 > 8 24 S 0.06723477053296 0.82647653650618 0.54436728604046 32.065 > 8 *25 S 0.14999731691043 0.19862948637032 0.33967403103869 32.065 > 9 26 S 0.14999731691043 0.69862948637032 0.33967403103869 32.065 > 9 27 S 0.14999731691043 0.30137051362968 0.83967403103869 32.065 > 10 28 S 0.14999731691043 0.80137051362968 0.83967403103869 32.065 > 10 29 S 0.35000268308957 0.44862948637032 0.16032596896131 32.065 > 11 30 S 0.35000268308957 0.94862948637032 0.16032596896131 32.065 > 11 31 S 0.35000268308957 0.05137051362968 0.66032596896131 32.065 > 12 32 S 0.35000268308957 0.55137051362968 0.66032596896131 32.065 > 12 *33 S 0.14554245167983 0.12754824525792 0.64920510744546 32.065 > 13 34 S 0.14554245167983 0.62754824525792 0.64920510744546 32.065 > 13 35 S 0.35445754832017 0.37754824525792 0.85079489255454 32.065 > 14 36 S 0.35445754832017 0.87754824525792 0.85079489255454 32.065 > 14 37 S 0.35445754832017 0.12245175474208 0.35079489255454 32.065 > 15 38 S 0.35445754832017 0.62245175474208 0.35079489255454 32.065 > 15 39 S 0.14554245167983 0.37245175474208 0.14920510744546 32.065 > 16 40 S 0.14554245167983 0.87245175474208 0.14920510744546 32.065 > 16 *41 S 0.28276275834426 0.28511726208472 0.58587525696036 32.065 > 17 42 S 0.28276275834426 0.78511726208472 0.58587525696036 32.065 > 17 43 S 0.21723724165574 0.03511726208472 0.91412474303964 32.065 > 18 44 S 0.21723724165574 0.53511726208472 0.91412474303964 32.065 > 18 45 S 0.21723724165574 0.46488273791528 0.41412474303964 32.065 > 19 46 S 0.21723724165574 0.96488273791528 0.41412474303964 32.065 > 19 47 S 0.28276275834426 0.21488273791528 0.08587525696036 32.065 > 20 48 S 0.28276275834426 0.71488273791528 0.08587525696036 32.065 > 20 49 S 0.56723477053296 0.42352346349382 0.04436728604046 32.065 > 5 50 S 0.56723477053296 0.92352346349382 0.04436728604046 32.065 > 5 51 S 0.93276522946704 0.17352346349382 0.45563271395954 32.065 > 6 52 S 0.93276522946704 0.67352346349382 0.45563271395954 32.065 > 6 53 S 0.93276522946704 0.32647653650618 0.95563271395954 32.065 > 7 54 S 0.93276522946704 0.82647653650618 0.95563271395954 32.065 > 7 55 S 0.56723477053296 0.07647653650618 0.54436728604046 32.065 > 8 56 S 0.56723477053296 0.57647653650618 0.54436728604046 32.065 > 8 57 S 0.64999731691043 0.44862948637032 0.33967403103869 32.065 > 9 58 S 0.64999731691043 0.94862948637032 0.33967403103869 32.065 > 9 59 S 0.64999731691043 0.05137051362968 0.83967403103869 32.065 > 10 60 S 0.64999731691043 0.55137051362968 0.83967403103869 32.065 > 10 61 S 0.85000268308957 0.19862948637032 0.16032596896131 32.065 > 11 62 S 0.85000268308957 0.69862948637032 0.16032596896131 32.065 > 11 63 S 0.85000268308957 0.30137051362968 0.66032596896131 32.065 > 12 64 S 0.85000268308957 0.80137051362968 0.66032596896131 32.065 > 12 65 S 0.64554245167983 0.37754824525792 0.64920510744546 32.065 > 13 66 S 0.64554245167983 0.87754824525792 0.64920510744546 32.065 > 13 67 S 0.85445754832017 0.12754824525792 0.85079489255454 32.065 > 14 68 S 0.85445754832017 0.62754824525792 0.85079489255454 32.065 > 14 69 S 0.85445754832017 0.37245175474208 0.35079489255454 32.065 > 15 70 S 0.85445754832017 0.87245175474208 0.35079489255454 32.065 > 15 71 S 0.64554245167983 0.12245175474208 0.14920510744546 32.065 > 16 72 S 0.64554245167983 0.62245175474208 0.14920510744546 32.065 > 16 73 S 0.78276275834426 0.03511726208472 0.58587525696036 32.065 > 17 74 S 0.78276275834426 0.53511726208472 0.58587525696036 32.065 > 17 75 S 0.71723724165574 0.28511726208472 0.91412474303964 32.065 > 18 76 S 0.71723724165574 0.78511726208472 0.91412474303964 32.065 > 18 77 S 0.71723724165574 0.21488273791528 0.41412474303964 32.065 > 19 78 S 0.71723724165574 0.71488273791528 0.41412474303964 32.065 > 19 79 S 0.78276275834426 0.46488273791528 0.08587525696036 32.065 > 20 80 S 0.78276275834426 0.96488273791528 0.08587525696036 32.065 > 20 *81 I 0.00000000000000 0.00686072964744 0.25000000000000 126.904 > 21 82 I 0.00000000000000 0.50686072964744 0.25000000000000 126.904 > 21 83 I 0.00000000000000 0.49313927035256 0.75000000000000 126.904 > 22 84 I 0.00000000000000 0.99313927035256 0.75000000000000 126.904 > 22 85 I 0.50000000000000 0.25686072964744 0.25000000000000 126.904 > 21 86 I 0.50000000000000 0.75686072964744 0.25000000000000 126.904 > 21 87 I 0.50000000000000 0.24313927035256 0.75000000000000 126.904 > 22 88 I 0.50000000000000 0.74313927035256 0.75000000000000 126.904 > 22 *89 La 0.00000000000000 0.20332570513365 0.75000000000000 138.905 > 23 90 La 0.00000000000000 0.70332570513365 0.75000000000000 138.905 > 23 91 La 0.00000000000000 0.29667429486635 0.25000000000000 138.905 > 24 92 La 0.00000000000000 0.79667429486635 0.25000000000000 138.905 > 24 *93 La 0.19785397821527 0.43970170351054 0.68029953543916 138.905 > 25 94 La 0.19785397821527 0.93970170351054 0.68029953543916 138.905 > 25 95 La 0.30214602178473 0.18970170351054 0.81970046456084 138.905 > 26 96 La 0.30214602178473 0.68970170351054 0.81970046456084 138.905 > 26 97 La 0.30214602178473 0.31029829648946 0.31970046456084 138.905 > 27 98 La 0.30214602178473 0.81029829648946 0.31970046456084 138.905 > 27 99 La 0.19785397821527 0.06029829648946 0.18029953543916 138.905 > 28 100 La 0.19785397821527 0.56029829648946 0.18029953543916 138.905 > 28 101 La 0.50000000000000 0.45332570513365 0.75000000000000 138.905 > 23 102 La 0.50000000000000 0.95332570513365 0.75000000000000 138.905 > 23 103 La 0.50000000000000 0.04667429486635 0.25000000000000 138.905 > 24 104 La 0.50000000000000 0.54667429486635 0.25000000000000 138.905 > 24 105 La 0.69785397821527 0.18970170351054 0.68029953543916 138.905 > 25 106 La 0.69785397821527 0.68970170351054 0.68029953543916 138.905 > 25 107 La 0.80214602178473 0.43970170351054 0.81970046456084 138.905 > 26 108 La 0.80214602178473 0.93970170351054 0.81970046456084 138.905 > 26 109 La 0.80214602178473 0.06029829648946 0.31970046456084 138.905 > 27 110 La 0.80214602178473 0.56029829648946 0.31970046456084 138.905 > 27 111 La 0.69785397821527 0.31029829648946 0.18029953543916 138.905 > 28 112 La 0.69785397821527 0.81029829648946 0.18029953543916 138.905 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5709712 0.0000000 -0.0803289 0.0000000 6.4847279 0.0000000 -0.0803342 0.0000000 6.6995660 -------------------------- Born effective charges -------------------------- 1 Si 2.2805288 0.0184968 -0.1658927 -0.3221625 2.4547438 0.2448546 -0.1046732 0.1068590 3.4310872 2 Si 2.2805288 0.0184968 -0.1658927 -0.3221625 2.4547438 0.2448546 -0.1046732 0.1068590 3.4310872 3 Si 2.2805288 -0.0184968 -0.1658927 0.3221625 2.4547438 -0.2448546 -0.1046732 -0.1068590 3.4310872 4 Si 2.2805288 -0.0184968 -0.1658927 0.3221625 2.4547438 -0.2448546 -0.1046732 -0.1068590 3.4310872 5 S -1.9531783 0.1068408 -0.1628010 0.1578540 -1.8485861 0.0818877 -0.2406904 0.1485867 -2.2021145 6 S -1.9531783 -0.1068408 -0.1628010 -0.1578540 -1.8485861 -0.0818877 -0.2406904 -0.1485867 -2.2021145 7 S -1.9531783 0.1068408 -0.1628010 0.1578540 -1.8485861 0.0818877 -0.2406904 0.1485867 -2.2021145 8 S -1.9531783 -0.1068408 -0.1628010 -0.1578540 -1.8485861 -0.0818877 -0.2406904 -0.1485867 -2.2021145 9 S -1.9554228 0.2781650 0.1429579 0.2326087 -1.7199515 -0.4822856 0.1645990 -0.6025545 -2.6560218 10 S -1.9554228 -0.2781650 0.1429579 -0.2326087 -1.7199515 0.4822856 0.1645990 0.6025545 -2.6560218 11 S -1.9554228 -0.2781650 0.1429579 -0.2326087 -1.7199515 0.4822856 0.1645990 0.6025545 -2.6560218 12 S -1.9554228 0.2781650 0.1429579 0.2326087 -1.7199515 -0.4822856 0.1645990 -0.6025545 -2.6560218 13 S -1.8398097 0.1964553 0.0947491 0.1896960 -2.4295872 0.5736888 0.1879848 0.4801541 -1.7702744 14 S -1.8398097 -0.1964553 0.0947491 -0.1896960 -2.4295872 -0.5736888 0.1879848 -0.4801541 -1.7702744 15 S -1.8398097 0.1964553 0.0947491 0.1896960 -2.4295872 0.5736888 0.1879848 0.4801541 -1.7702744 16 S -1.8398097 -0.1964553 0.0947491 -0.1896960 -2.4295872 -0.5736888 0.1879848 -0.4801541 -1.7702744 17 S -1.6357780 -0.2974117 0.0805460 -0.3515526 -1.7866082 0.1525559 0.1082362 0.1980306 -2.6717793 18 S -1.6357780 0.2974117 0.0805460 0.3515526 -1.7866082 -0.1525559 0.1082362 -0.1980306 -2.6717793 19 S -1.6357780 -0.2974117 0.0805460 -0.3515526 -1.7866082 0.1525559 0.1082362 0.1980306 -2.6717793 20 S -1.6357780 0.2974117 0.0805460 0.3515526 -1.7866082 -0.1525559 0.1082362 -0.1980306 -2.6717793 21 I -2.2158557 0.0000000 0.3910952 0.0000000 -1.7020691 0.0000000 0.2650658 0.0000000 -0.5239225 22 I -2.2158557 0.0000000 0.3910952 0.0000000 -1.7020691 0.0000000 0.2650658 0.0000000 -0.5239225 23 La 5.0128511 0.0000000 -0.1266909 0.0000000 3.2229688 0.0000000 0.0443367 0.0000000 3.9932665 24 La 5.0128511 0.0000000 -0.1266909 0.0000000 3.2229688 0.0000000 0.0443367 0.0000000 3.9932665 25 La 3.7051624 0.3831774 -0.1217615 0.2636368 4.5695393 0.2981744 -0.2701576 -0.0182980 4.1344308 26 La 3.7051624 -0.3831774 -0.1217615 -0.2636368 4.5695393 -0.2981744 -0.2701576 0.0182980 4.1344308 27 La 3.7051624 0.3831774 -0.1217615 0.2636368 4.5695393 0.2981744 -0.2701576 -0.0182980 4.1344308 28 La 3.7051624 -0.3831774 -0.1217615 -0.2636368 4.5695393 -0.2981744 -0.2701576 0.0182980 4.1344308 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 800 / 800 (1) 289 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 258 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 258 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3599), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 10), data: (768, 22) @ (22, 10) |-- (268, 258), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 10), data: (768, 22) @ (22, 10) |-- (268, 258), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (800, 785), data: False |-- (800, 11), data: (800, 26) @ (26, 11) |-- (300, 289), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 0.982 Solver_block: 200 / 880 - Time: 0.858 Solver_block: 300 / 880 - Time: 0.852 Solver_block: 400 / 880 - Time: 0.850 Solver_block: 500 / 880 - Time: 0.850 Solver_block: 600 / 880 - Time: 0.850 Solver_block: 700 / 880 - Time: 0.850 Solver_block: 800 / 880 - Time: 0.852 Solver_block: 880 / 880 - Time: 0.762 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.880 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 800 / 800 (1) 289 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 258 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 258 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3599), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 10), data: (768, 22) @ (22, 10) |-- (268, 258), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 10), data: (768, 22) @ (22, 10) |-- (268, 258), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (800, 785), data: False |-- (800, 11), data: (800, 26) @ (26, 11) |-- (300, 289), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: 0.00000000 (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 05:19:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:19:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.946379525015185 -3.928473679999999 0.000000000000000 b 7.946379525015185 3.928473679999999 0.000000000000000 c -1.467628309517379 0.000000000000000 10.731824899202092 Atomic positions (fractional): 1 Si 0.37662623152058 0.30318800681480 0.96944305855240 28.085 2 Si 0.62337376847942 0.69681199318520 0.03055694144760 28.085 3 Si 0.30318800681480 0.37662623152058 0.46944305855240 28.085 4 Si 0.69681199318520 0.62337376847942 0.53055694144760 28.085 5 S 0.72018784354532 0.41428169752060 0.04436728604046 32.065 6 S 0.58571830247941 0.27981215645468 0.45563271395954 32.065 7 S 0.27981215645468 0.58571830247941 0.95563271395954 32.065 8 S 0.41428169752059 0.72018784354532 0.54436728604046 32.065 9 S 0.75273834416979 0.54725628965108 0.33967403103869 32.065 10 S 0.54725628965108 0.75273834416979 0.83967403103869 32.065 11 S 0.45274371034892 0.24726165583021 0.16032596896131 32.065 12 S 0.24726165583021 0.45274371034892 0.66032596896131 32.065 13 S 0.89044596116398 0.40063894219568 0.64920510744546 32.065 14 S 0.59936105780432 0.10955403883601 0.85079489255454 32.065 15 S 0.10955403883602 0.59936105780432 0.35079489255454 32.065 16 S 0.40063894219568 0.89044596116399 0.14920510744546 32.065 17 S 0.71252823417482 0.85299728251370 0.58587525696036 32.065 18 S 0.14700271748630 0.28747176582518 0.91412474303964 32.065 19 S 0.28747176582518 0.14700271748630 0.41412474303964 32.065 20 S 0.85299728251370 0.71252823417482 0.08587525696036 32.065 21 I 0.98627854070512 0.01372145929488 0.25000000000000 126.904 22 I 0.01372145929488 0.98627854070512 0.75000000000000 126.904 23 La 0.59334858973270 0.40665141026730 0.75000000000000 138.905 24 La 0.40665141026730 0.59334858973270 0.25000000000000 138.905 25 La 0.31845057119419 0.07725738523635 0.68029953543916 138.905 26 La 0.92274261476365 0.68154942880581 0.81970046456084 138.905 27 La 0.68154942880581 0.92274261476365 0.31970046456084 138.905 28 La 0.07725738523635 0.31845057119419 0.18029953543916 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.892759050030371 0.000000000000000 0.000000000000000 b 0.000000000000000 15.713894719999997 0.000000000000000 c -1.467628309517379 0.000000000000000 10.731824899202092 Atomic positions (fractional): 1 Si 0.33990711916769 0.48164044382356 0.96944305855240 28.085 > 1 2 Si 0.33990711916769 0.98164044382356 0.96944305855240 28.085 > 1 3 Si 0.16009288083231 0.26835955617644 0.03055694144760 28.085 > 3 4 Si 0.16009288083231 0.76835955617644 0.03055694144760 28.085 > 3 5 Si 0.33990711916769 0.01835955617644 0.46944305855240 28.085 > 5 6 Si 0.33990711916769 0.51835955617644 0.46944305855240 28.085 > 5 7 Si 0.16009288083231 0.23164044382356 0.53055694144760 28.085 > 7 8 Si 0.16009288083231 0.73164044382356 0.53055694144760 28.085 > 7 9 Si 0.83990711916769 0.23164044382356 0.96944305855240 28.085 > 1 10 Si 0.83990711916769 0.73164044382356 0.96944305855240 28.085 > 1 11 Si 0.66009288083231 0.01835955617644 0.03055694144760 28.085 > 3 12 Si 0.66009288083231 0.51835955617644 0.03055694144760 28.085 > 3 13 Si 0.83990711916769 0.26835955617644 0.46944305855240 28.085 > 5 14 Si 0.83990711916769 0.76835955617644 0.46944305855240 28.085 > 5 15 Si 0.66009288083231 0.48164044382356 0.53055694144760 28.085 > 7 16 Si 0.66009288083231 0.98164044382356 0.53055694144760 28.085 > 7 17 S 0.06723477053296 0.17352346349382 0.04436728604046 32.065 > 17 18 S 0.06723477053296 0.67352346349382 0.04436728604046 32.065 > 17 19 S 0.43276522946704 0.42352346349382 0.45563271395954 32.065 > 19 20 S 0.43276522946704 0.92352346349382 0.45563271395954 32.065 > 19 21 S 0.43276522946704 0.07647653650618 0.95563271395954 32.065 > 21 22 S 0.43276522946704 0.57647653650618 0.95563271395954 32.065 > 21 23 S 0.06723477053296 0.32647653650618 0.54436728604046 32.065 > 23 24 S 0.06723477053296 0.82647653650618 0.54436728604046 32.065 > 23 25 S 0.14999731691043 0.19862948637032 0.33967403103869 32.065 > 25 26 S 0.14999731691043 0.69862948637032 0.33967403103869 32.065 > 25 27 S 0.14999731691043 0.30137051362968 0.83967403103869 32.065 > 27 28 S 0.14999731691043 0.80137051362968 0.83967403103869 32.065 > 27 29 S 0.35000268308957 0.44862948637032 0.16032596896131 32.065 > 29 30 S 0.35000268308957 0.94862948637032 0.16032596896131 32.065 > 29 31 S 0.35000268308957 0.05137051362968 0.66032596896131 32.065 > 31 32 S 0.35000268308957 0.55137051362968 0.66032596896131 32.065 > 31 33 S 0.14554245167983 0.12754824525792 0.64920510744546 32.065 > 33 34 S 0.14554245167983 0.62754824525792 0.64920510744546 32.065 > 33 35 S 0.35445754832017 0.37754824525792 0.85079489255454 32.065 > 35 36 S 0.35445754832017 0.87754824525792 0.85079489255454 32.065 > 35 37 S 0.35445754832017 0.12245175474208 0.35079489255454 32.065 > 37 38 S 0.35445754832017 0.62245175474208 0.35079489255454 32.065 > 37 39 S 0.14554245167983 0.37245175474208 0.14920510744546 32.065 > 39 40 S 0.14554245167983 0.87245175474208 0.14920510744546 32.065 > 39 41 S 0.28276275834426 0.28511726208472 0.58587525696036 32.065 > 41 42 S 0.28276275834426 0.78511726208472 0.58587525696036 32.065 > 41 43 S 0.21723724165574 0.03511726208472 0.91412474303964 32.065 > 43 44 S 0.21723724165574 0.53511726208472 0.91412474303964 32.065 > 43 45 S 0.21723724165574 0.46488273791528 0.41412474303964 32.065 > 45 46 S 0.21723724165574 0.96488273791528 0.41412474303964 32.065 > 45 47 S 0.28276275834426 0.21488273791528 0.08587525696036 32.065 > 47 48 S 0.28276275834426 0.71488273791528 0.08587525696036 32.065 > 47 49 S 0.56723477053296 0.42352346349382 0.04436728604046 32.065 > 17 50 S 0.56723477053296 0.92352346349382 0.04436728604046 32.065 > 17 51 S 0.93276522946704 0.17352346349382 0.45563271395954 32.065 > 19 52 S 0.93276522946704 0.67352346349382 0.45563271395954 32.065 > 19 53 S 0.93276522946704 0.32647653650618 0.95563271395954 32.065 > 21 54 S 0.93276522946704 0.82647653650618 0.95563271395954 32.065 > 21 55 S 0.56723477053296 0.07647653650618 0.54436728604046 32.065 > 23 56 S 0.56723477053296 0.57647653650618 0.54436728604046 32.065 > 23 57 S 0.64999731691043 0.44862948637032 0.33967403103869 32.065 > 25 58 S 0.64999731691043 0.94862948637032 0.33967403103869 32.065 > 25 59 S 0.64999731691043 0.05137051362968 0.83967403103869 32.065 > 27 60 S 0.64999731691043 0.55137051362968 0.83967403103869 32.065 > 27 61 S 0.85000268308957 0.19862948637032 0.16032596896131 32.065 > 29 62 S 0.85000268308957 0.69862948637032 0.16032596896131 32.065 > 29 63 S 0.85000268308957 0.30137051362968 0.66032596896131 32.065 > 31 64 S 0.85000268308957 0.80137051362968 0.66032596896131 32.065 > 31 65 S 0.64554245167983 0.37754824525792 0.64920510744546 32.065 > 33 66 S 0.64554245167983 0.87754824525792 0.64920510744546 32.065 > 33 67 S 0.85445754832017 0.12754824525792 0.85079489255454 32.065 > 35 68 S 0.85445754832017 0.62754824525792 0.85079489255454 32.065 > 35 69 S 0.85445754832017 0.37245175474208 0.35079489255454 32.065 > 37 70 S 0.85445754832017 0.87245175474208 0.35079489255454 32.065 > 37 71 S 0.64554245167983 0.12245175474208 0.14920510744546 32.065 > 39 72 S 0.64554245167983 0.62245175474208 0.14920510744546 32.065 > 39 73 S 0.78276275834426 0.03511726208472 0.58587525696036 32.065 > 41 74 S 0.78276275834426 0.53511726208472 0.58587525696036 32.065 > 41 75 S 0.71723724165574 0.28511726208472 0.91412474303964 32.065 > 43 76 S 0.71723724165574 0.78511726208472 0.91412474303964 32.065 > 43 77 S 0.71723724165574 0.21488273791528 0.41412474303964 32.065 > 45 78 S 0.71723724165574 0.71488273791528 0.41412474303964 32.065 > 45 79 S 0.78276275834426 0.46488273791528 0.08587525696036 32.065 > 47 80 S 0.78276275834426 0.96488273791528 0.08587525696036 32.065 > 47 81 I 0.00000000000000 0.00686072964744 0.25000000000000 126.904 > 81 82 I 0.00000000000000 0.50686072964744 0.25000000000000 126.904 > 81 83 I 0.00000000000000 0.49313927035256 0.75000000000000 126.904 > 83 84 I 0.00000000000000 0.99313927035256 0.75000000000000 126.904 > 83 85 I 0.50000000000000 0.25686072964744 0.25000000000000 126.904 > 81 86 I 0.50000000000000 0.75686072964744 0.25000000000000 126.904 > 81 87 I 0.50000000000000 0.24313927035256 0.75000000000000 126.904 > 83 88 I 0.50000000000000 0.74313927035256 0.75000000000000 126.904 > 83 89 La 0.00000000000000 0.20332570513365 0.75000000000000 138.905 > 89 90 La 0.00000000000000 0.70332570513365 0.75000000000000 138.905 > 89 91 La 0.00000000000000 0.29667429486635 0.25000000000000 138.905 > 91 92 La 0.00000000000000 0.79667429486635 0.25000000000000 138.905 > 91 93 La 0.19785397821527 0.43970170351054 0.68029953543916 138.905 > 93 94 La 0.19785397821527 0.93970170351054 0.68029953543916 138.905 > 93 95 La 0.30214602178473 0.18970170351054 0.81970046456084 138.905 > 95 96 La 0.30214602178473 0.68970170351054 0.81970046456084 138.905 > 95 97 La 0.30214602178473 0.31029829648946 0.31970046456084 138.905 > 97 98 La 0.30214602178473 0.81029829648946 0.31970046456084 138.905 > 97 99 La 0.19785397821527 0.06029829648946 0.18029953543916 138.905 > 99 100 La 0.19785397821527 0.56029829648946 0.18029953543916 138.905 > 99 101 La 0.50000000000000 0.45332570513365 0.75000000000000 138.905 > 89 102 La 0.50000000000000 0.95332570513365 0.75000000000000 138.905 > 89 103 La 0.50000000000000 0.04667429486635 0.25000000000000 138.905 > 91 104 La 0.50000000000000 0.54667429486635 0.25000000000000 138.905 > 91 105 La 0.69785397821527 0.18970170351054 0.68029953543916 138.905 > 93 106 La 0.69785397821527 0.68970170351054 0.68029953543916 138.905 > 93 107 La 0.80214602178473 0.43970170351054 0.81970046456084 138.905 > 95 108 La 0.80214602178473 0.93970170351054 0.81970046456084 138.905 > 95 109 La 0.80214602178473 0.06029829648946 0.31970046456084 138.905 > 97 110 La 0.80214602178473 0.56029829648946 0.31970046456084 138.905 > 97 111 La 0.69785397821527 0.31029829648946 0.18029953543916 138.905 > 99 112 La 0.69785397821527 0.81029829648946 0.18029953543916 138.905 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5709712 0.0000000 -0.0803289 0.0000000 6.4847279 0.0000000 -0.0803342 0.0000000 6.6995660 -------------------------- Born effective charges -------------------------- 1 Si 2.2805288 0.0184968 -0.1658927 -0.3221625 2.4547438 0.2448546 -0.1046732 0.1068590 3.4310872 2 Si 2.2805288 0.0184968 -0.1658927 -0.3221625 2.4547438 0.2448546 -0.1046732 0.1068590 3.4310872 3 Si 2.2805288 -0.0184968 -0.1658927 0.3221625 2.4547438 -0.2448546 -0.1046732 -0.1068590 3.4310872 4 Si 2.2805288 -0.0184968 -0.1658927 0.3221625 2.4547438 -0.2448546 -0.1046732 -0.1068590 3.4310872 5 S -1.9531783 0.1068408 -0.1628010 0.1578540 -1.8485861 0.0818877 -0.2406904 0.1485867 -2.2021145 6 S -1.9531783 -0.1068408 -0.1628010 -0.1578540 -1.8485861 -0.0818877 -0.2406904 -0.1485867 -2.2021145 7 S -1.9531783 0.1068408 -0.1628010 0.1578540 -1.8485861 0.0818877 -0.2406904 0.1485867 -2.2021145 8 S -1.9531783 -0.1068408 -0.1628010 -0.1578540 -1.8485861 -0.0818877 -0.2406904 -0.1485867 -2.2021145 9 S -1.9554228 0.2781650 0.1429579 0.2326087 -1.7199515 -0.4822856 0.1645990 -0.6025545 -2.6560218 10 S -1.9554228 -0.2781650 0.1429579 -0.2326087 -1.7199515 0.4822856 0.1645990 0.6025545 -2.6560218 11 S -1.9554228 -0.2781650 0.1429579 -0.2326087 -1.7199515 0.4822856 0.1645990 0.6025545 -2.6560218 12 S -1.9554228 0.2781650 0.1429579 0.2326087 -1.7199515 -0.4822856 0.1645990 -0.6025545 -2.6560218 13 S -1.8398097 0.1964553 0.0947491 0.1896960 -2.4295872 0.5736888 0.1879848 0.4801541 -1.7702744 14 S -1.8398097 -0.1964553 0.0947491 -0.1896960 -2.4295872 -0.5736888 0.1879848 -0.4801541 -1.7702744 15 S -1.8398097 0.1964553 0.0947491 0.1896960 -2.4295872 0.5736888 0.1879848 0.4801541 -1.7702744 16 S -1.8398097 -0.1964553 0.0947491 -0.1896960 -2.4295872 -0.5736888 0.1879848 -0.4801541 -1.7702744 17 S -1.6357780 -0.2974117 0.0805460 -0.3515526 -1.7866082 0.1525559 0.1082362 0.1980306 -2.6717793 18 S -1.6357780 0.2974117 0.0805460 0.3515526 -1.7866082 -0.1525559 0.1082362 -0.1980306 -2.6717793 19 S -1.6357780 -0.2974117 0.0805460 -0.3515526 -1.7866082 0.1525559 0.1082362 0.1980306 -2.6717793 20 S -1.6357780 0.2974117 0.0805460 0.3515526 -1.7866082 -0.1525559 0.1082362 -0.1980306 -2.6717793 21 I -2.2158557 0.0000000 0.3910952 0.0000000 -1.7020691 0.0000000 0.2650658 0.0000000 -0.5239225 22 I -2.2158557 0.0000000 0.3910952 0.0000000 -1.7020691 0.0000000 0.2650658 0.0000000 -0.5239225 23 La 5.0128511 0.0000000 -0.1266909 0.0000000 3.2229688 0.0000000 0.0443367 0.0000000 3.9932665 24 La 5.0128511 0.0000000 -0.1266909 0.0000000 3.2229688 0.0000000 0.0443367 0.0000000 3.9932665 25 La 3.7051624 0.3831774 -0.1217615 0.2636368 4.5695393 0.2981744 -0.2701576 -0.0182980 4.1344308 26 La 3.7051624 -0.3831774 -0.1217615 -0.2636368 4.5695393 -0.2981744 -0.2701576 0.0182980 4.1344308 27 La 3.7051624 0.3831774 -0.1217615 0.2636368 4.5695393 0.2981744 -0.2701576 -0.0182980 4.1344308 28 La 3.7051624 -0.3831774 -0.1217615 -0.2636368 4.5695393 -0.2981744 -0.2701576 0.0182980 4.1344308 ---------------------------------------------------------------------------- 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 93, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:19:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:19:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.946379525015185 -3.928473679999999 0.000000000000000 b 7.946379525015185 3.928473679999999 0.000000000000000 c -1.467628309517379 0.000000000000000 10.731824899202092 Atomic positions (fractional): 1 Si 0.37662623152058 0.30318800681480 0.96944305855240 28.085 2 Si 0.62337376847942 0.69681199318520 0.03055694144760 28.085 3 Si 0.30318800681480 0.37662623152058 0.46944305855240 28.085 4 Si 0.69681199318520 0.62337376847942 0.53055694144760 28.085 5 S 0.72018784354532 0.41428169752060 0.04436728604046 32.065 6 S 0.58571830247941 0.27981215645468 0.45563271395954 32.065 7 S 0.27981215645468 0.58571830247941 0.95563271395954 32.065 8 S 0.41428169752059 0.72018784354532 0.54436728604046 32.065 9 S 0.75273834416979 0.54725628965108 0.33967403103869 32.065 10 S 0.54725628965108 0.75273834416979 0.83967403103869 32.065 11 S 0.45274371034892 0.24726165583021 0.16032596896131 32.065 12 S 0.24726165583021 0.45274371034892 0.66032596896131 32.065 13 S 0.89044596116398 0.40063894219568 0.64920510744546 32.065 14 S 0.59936105780432 0.10955403883601 0.85079489255454 32.065 15 S 0.10955403883602 0.59936105780432 0.35079489255454 32.065 16 S 0.40063894219568 0.89044596116399 0.14920510744546 32.065 17 S 0.71252823417482 0.85299728251370 0.58587525696036 32.065 18 S 0.14700271748630 0.28747176582518 0.91412474303964 32.065 19 S 0.28747176582518 0.14700271748630 0.41412474303964 32.065 20 S 0.85299728251370 0.71252823417482 0.08587525696036 32.065 21 I 0.98627854070512 0.01372145929488 0.25000000000000 126.904 22 I 0.01372145929488 0.98627854070512 0.75000000000000 126.904 23 La 0.59334858973270 0.40665141026730 0.75000000000000 138.905 24 La 0.40665141026730 0.59334858973270 0.25000000000000 138.905 25 La 0.31845057119419 0.07725738523635 0.68029953543916 138.905 26 La 0.92274261476365 0.68154942880581 0.81970046456084 138.905 27 La 0.68154942880581 0.92274261476365 0.31970046456084 138.905 28 La 0.07725738523635 0.31845057119419 0.18029953543916 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.892759050030371 0.000000000000000 0.000000000000000 b 0.000000000000000 15.713894719999997 0.000000000000000 c -1.467628309517379 0.000000000000000 10.731824899202092 Atomic positions (fractional): 1 Si 0.33990711916769 0.48164044382356 0.96944305855240 28.085 > 1 2 Si 0.33990711916769 0.98164044382356 0.96944305855240 28.085 > 1 3 Si 0.16009288083231 0.26835955617644 0.03055694144760 28.085 > 3 4 Si 0.16009288083231 0.76835955617644 0.03055694144760 28.085 > 3 5 Si 0.33990711916769 0.01835955617644 0.46944305855240 28.085 > 5 6 Si 0.33990711916769 0.51835955617644 0.46944305855240 28.085 > 5 7 Si 0.16009288083231 0.23164044382356 0.53055694144760 28.085 > 7 8 Si 0.16009288083231 0.73164044382356 0.53055694144760 28.085 > 7 9 Si 0.83990711916769 0.23164044382356 0.96944305855240 28.085 > 1 10 Si 0.83990711916769 0.73164044382356 0.96944305855240 28.085 > 1 11 Si 0.66009288083231 0.01835955617644 0.03055694144760 28.085 > 3 12 Si 0.66009288083231 0.51835955617644 0.03055694144760 28.085 > 3 13 Si 0.83990711916769 0.26835955617644 0.46944305855240 28.085 > 5 14 Si 0.83990711916769 0.76835955617644 0.46944305855240 28.085 > 5 15 Si 0.66009288083231 0.48164044382356 0.53055694144760 28.085 > 7 16 Si 0.66009288083231 0.98164044382356 0.53055694144760 28.085 > 7 17 S 0.06723477053296 0.17352346349382 0.04436728604046 32.065 > 17 18 S 0.06723477053296 0.67352346349382 0.04436728604046 32.065 > 17 19 S 0.43276522946704 0.42352346349382 0.45563271395954 32.065 > 19 20 S 0.43276522946704 0.92352346349382 0.45563271395954 32.065 > 19 21 S 0.43276522946704 0.07647653650618 0.95563271395954 32.065 > 21 22 S 0.43276522946704 0.57647653650618 0.95563271395954 32.065 > 21 23 S 0.06723477053296 0.32647653650618 0.54436728604046 32.065 > 23 24 S 0.06723477053296 0.82647653650618 0.54436728604046 32.065 > 23 25 S 0.14999731691043 0.19862948637032 0.33967403103869 32.065 > 25 26 S 0.14999731691043 0.69862948637032 0.33967403103869 32.065 > 25 27 S 0.14999731691043 0.30137051362968 0.83967403103869 32.065 > 27 28 S 0.14999731691043 0.80137051362968 0.83967403103869 32.065 > 27 29 S 0.35000268308957 0.44862948637032 0.16032596896131 32.065 > 29 30 S 0.35000268308957 0.94862948637032 0.16032596896131 32.065 > 29 31 S 0.35000268308957 0.05137051362968 0.66032596896131 32.065 > 31 32 S 0.35000268308957 0.55137051362968 0.66032596896131 32.065 > 31 33 S 0.14554245167983 0.12754824525792 0.64920510744546 32.065 > 33 34 S 0.14554245167983 0.62754824525792 0.64920510744546 32.065 > 33 35 S 0.35445754832017 0.37754824525792 0.85079489255454 32.065 > 35 36 S 0.35445754832017 0.87754824525792 0.85079489255454 32.065 > 35 37 S 0.35445754832017 0.12245175474208 0.35079489255454 32.065 > 37 38 S 0.35445754832017 0.62245175474208 0.35079489255454 32.065 > 37 39 S 0.14554245167983 0.37245175474208 0.14920510744546 32.065 > 39 40 S 0.14554245167983 0.87245175474208 0.14920510744546 32.065 > 39 41 S 0.28276275834426 0.28511726208472 0.58587525696036 32.065 > 41 42 S 0.28276275834426 0.78511726208472 0.58587525696036 32.065 > 41 43 S 0.21723724165574 0.03511726208472 0.91412474303964 32.065 > 43 44 S 0.21723724165574 0.53511726208472 0.91412474303964 32.065 > 43 45 S 0.21723724165574 0.46488273791528 0.41412474303964 32.065 > 45 46 S 0.21723724165574 0.96488273791528 0.41412474303964 32.065 > 45 47 S 0.28276275834426 0.21488273791528 0.08587525696036 32.065 > 47 48 S 0.28276275834426 0.71488273791528 0.08587525696036 32.065 > 47 49 S 0.56723477053296 0.42352346349382 0.04436728604046 32.065 > 17 50 S 0.56723477053296 0.92352346349382 0.04436728604046 32.065 > 17 51 S 0.93276522946704 0.17352346349382 0.45563271395954 32.065 > 19 52 S 0.93276522946704 0.67352346349382 0.45563271395954 32.065 > 19 53 S 0.93276522946704 0.32647653650618 0.95563271395954 32.065 > 21 54 S 0.93276522946704 0.82647653650618 0.95563271395954 32.065 > 21 55 S 0.56723477053296 0.07647653650618 0.54436728604046 32.065 > 23 56 S 0.56723477053296 0.57647653650618 0.54436728604046 32.065 > 23 57 S 0.64999731691043 0.44862948637032 0.33967403103869 32.065 > 25 58 S 0.64999731691043 0.94862948637032 0.33967403103869 32.065 > 25 59 S 0.64999731691043 0.05137051362968 0.83967403103869 32.065 > 27 60 S 0.64999731691043 0.55137051362968 0.83967403103869 32.065 > 27 61 S 0.85000268308957 0.19862948637032 0.16032596896131 32.065 > 29 62 S 0.85000268308957 0.69862948637032 0.16032596896131 32.065 > 29 63 S 0.85000268308957 0.30137051362968 0.66032596896131 32.065 > 31 64 S 0.85000268308957 0.80137051362968 0.66032596896131 32.065 > 31 65 S 0.64554245167983 0.37754824525792 0.64920510744546 32.065 > 33 66 S 0.64554245167983 0.87754824525792 0.64920510744546 32.065 > 33 67 S 0.85445754832017 0.12754824525792 0.85079489255454 32.065 > 35 68 S 0.85445754832017 0.62754824525792 0.85079489255454 32.065 > 35 69 S 0.85445754832017 0.37245175474208 0.35079489255454 32.065 > 37 70 S 0.85445754832017 0.87245175474208 0.35079489255454 32.065 > 37 71 S 0.64554245167983 0.12245175474208 0.14920510744546 32.065 > 39 72 S 0.64554245167983 0.62245175474208 0.14920510744546 32.065 > 39 73 S 0.78276275834426 0.03511726208472 0.58587525696036 32.065 > 41 74 S 0.78276275834426 0.53511726208472 0.58587525696036 32.065 > 41 75 S 0.71723724165574 0.28511726208472 0.91412474303964 32.065 > 43 76 S 0.71723724165574 0.78511726208472 0.91412474303964 32.065 > 43 77 S 0.71723724165574 0.21488273791528 0.41412474303964 32.065 > 45 78 S 0.71723724165574 0.71488273791528 0.41412474303964 32.065 > 45 79 S 0.78276275834426 0.46488273791528 0.08587525696036 32.065 > 47 80 S 0.78276275834426 0.96488273791528 0.08587525696036 32.065 > 47 81 I 0.00000000000000 0.00686072964744 0.25000000000000 126.904 > 81 82 I 0.00000000000000 0.50686072964744 0.25000000000000 126.904 > 81 83 I 0.00000000000000 0.49313927035256 0.75000000000000 126.904 > 83 84 I 0.00000000000000 0.99313927035256 0.75000000000000 126.904 > 83 85 I 0.50000000000000 0.25686072964744 0.25000000000000 126.904 > 81 86 I 0.50000000000000 0.75686072964744 0.25000000000000 126.904 > 81 87 I 0.50000000000000 0.24313927035256 0.75000000000000 126.904 > 83 88 I 0.50000000000000 0.74313927035256 0.75000000000000 126.904 > 83 89 La 0.00000000000000 0.20332570513365 0.75000000000000 138.905 > 89 90 La 0.00000000000000 0.70332570513365 0.75000000000000 138.905 > 89 91 La 0.00000000000000 0.29667429486635 0.25000000000000 138.905 > 91 92 La 0.00000000000000 0.79667429486635 0.25000000000000 138.905 > 91 93 La 0.19785397821527 0.43970170351054 0.68029953543916 138.905 > 93 94 La 0.19785397821527 0.93970170351054 0.68029953543916 138.905 > 93 95 La 0.30214602178473 0.18970170351054 0.81970046456084 138.905 > 95 96 La 0.30214602178473 0.68970170351054 0.81970046456084 138.905 > 95 97 La 0.30214602178473 0.31029829648946 0.31970046456084 138.905 > 97 98 La 0.30214602178473 0.81029829648946 0.31970046456084 138.905 > 97 99 La 0.19785397821527 0.06029829648946 0.18029953543916 138.905 > 99 100 La 0.19785397821527 0.56029829648946 0.18029953543916 138.905 > 99 101 La 0.50000000000000 0.45332570513365 0.75000000000000 138.905 > 89 102 La 0.50000000000000 0.95332570513365 0.75000000000000 138.905 > 89 103 La 0.50000000000000 0.04667429486635 0.25000000000000 138.905 > 91 104 La 0.50000000000000 0.54667429486635 0.25000000000000 138.905 > 91 105 La 0.69785397821527 0.18970170351054 0.68029953543916 138.905 > 93 106 La 0.69785397821527 0.68970170351054 0.68029953543916 138.905 > 93 107 La 0.80214602178473 0.43970170351054 0.81970046456084 138.905 > 95 108 La 0.80214602178473 0.93970170351054 0.81970046456084 138.905 > 95 109 La 0.80214602178473 0.06029829648946 0.31970046456084 138.905 > 97 110 La 0.80214602178473 0.56029829648946 0.31970046456084 138.905 > 97 111 La 0.69785397821527 0.31029829648946 0.18029953543916 138.905 > 99 112 La 0.69785397821527 0.81029829648946 0.18029953543916 138.905 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.5709712 0.0000000 -0.0803289 0.0000000 6.4847279 0.0000000 -0.0803342 0.0000000 6.6995660 -------------------------- Born effective charges -------------------------- 1 Si 2.2805288 0.0184968 -0.1658927 -0.3221625 2.4547438 0.2448546 -0.1046732 0.1068590 3.4310872 2 Si 2.2805288 0.0184968 -0.1658927 -0.3221625 2.4547438 0.2448546 -0.1046732 0.1068590 3.4310872 3 Si 2.2805288 -0.0184968 -0.1658927 0.3221625 2.4547438 -0.2448546 -0.1046732 -0.1068590 3.4310872 4 Si 2.2805288 -0.0184968 -0.1658927 0.3221625 2.4547438 -0.2448546 -0.1046732 -0.1068590 3.4310872 5 S -1.9531783 0.1068408 -0.1628010 0.1578540 -1.8485861 0.0818877 -0.2406904 0.1485867 -2.2021145 6 S -1.9531783 -0.1068408 -0.1628010 -0.1578540 -1.8485861 -0.0818877 -0.2406904 -0.1485867 -2.2021145 7 S -1.9531783 0.1068408 -0.1628010 0.1578540 -1.8485861 0.0818877 -0.2406904 0.1485867 -2.2021145 8 S -1.9531783 -0.1068408 -0.1628010 -0.1578540 -1.8485861 -0.0818877 -0.2406904 -0.1485867 -2.2021145 9 S -1.9554228 0.2781650 0.1429579 0.2326087 -1.7199515 -0.4822856 0.1645990 -0.6025545 -2.6560218 10 S -1.9554228 -0.2781650 0.1429579 -0.2326087 -1.7199515 0.4822856 0.1645990 0.6025545 -2.6560218 11 S -1.9554228 -0.2781650 0.1429579 -0.2326087 -1.7199515 0.4822856 0.1645990 0.6025545 -2.6560218 12 S -1.9554228 0.2781650 0.1429579 0.2326087 -1.7199515 -0.4822856 0.1645990 -0.6025545 -2.6560218 13 S -1.8398097 0.1964553 0.0947491 0.1896960 -2.4295872 0.5736888 0.1879848 0.4801541 -1.7702744 14 S -1.8398097 -0.1964553 0.0947491 -0.1896960 -2.4295872 -0.5736888 0.1879848 -0.4801541 -1.7702744 15 S -1.8398097 0.1964553 0.0947491 0.1896960 -2.4295872 0.5736888 0.1879848 0.4801541 -1.7702744 16 S -1.8398097 -0.1964553 0.0947491 -0.1896960 -2.4295872 -0.5736888 0.1879848 -0.4801541 -1.7702744 17 S -1.6357780 -0.2974117 0.0805460 -0.3515526 -1.7866082 0.1525559 0.1082362 0.1980306 -2.6717793 18 S -1.6357780 0.2974117 0.0805460 0.3515526 -1.7866082 -0.1525559 0.1082362 -0.1980306 -2.6717793 19 S -1.6357780 -0.2974117 0.0805460 -0.3515526 -1.7866082 0.1525559 0.1082362 0.1980306 -2.6717793 20 S -1.6357780 0.2974117 0.0805460 0.3515526 -1.7866082 -0.1525559 0.1082362 -0.1980306 -2.6717793 21 I -2.2158557 0.0000000 0.3910952 0.0000000 -1.7020691 0.0000000 0.2650658 0.0000000 -0.5239225 22 I -2.2158557 0.0000000 0.3910952 0.0000000 -1.7020691 0.0000000 0.2650658 0.0000000 -0.5239225 23 La 5.0128511 0.0000000 -0.1266909 0.0000000 3.2229688 0.0000000 0.0443367 0.0000000 3.9932665 24 La 5.0128511 0.0000000 -0.1266909 0.0000000 3.2229688 0.0000000 0.0443367 0.0000000 3.9932665 25 La 3.7051624 0.3831774 -0.1217615 0.2636368 4.5695393 0.2981744 -0.2701576 -0.0182980 4.1344308 26 La 3.7051624 -0.3831774 -0.1217615 -0.2636368 4.5695393 -0.2981744 -0.2701576 0.0182980 4.1344308 27 La 3.7051624 0.3831774 -0.1217615 0.2636368 4.5695393 0.2981744 -0.2701576 -0.0182980 4.1344308 28 La 3.7051624 -0.3831774 -0.1217615 -0.2636368 4.5695393 -0.2981744 -0.2701576 0.0182980 4.1344308 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) 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 ... [ 7 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: 0.47, Number of G-points: 293, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 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 1.086 ( 0.000 0.000 0.000) 0.000 1.192 ( 0.000 0.000 0.000) 0.000 1.551 ( 0.000 0.000 0.000) 0.000 1.672 ( 0.000 0.000 0.000) 0.000 2.027 ( 0.000 0.000 0.000) 0.000 2.058 ( 0.000 0.000 0.000) 0.000 2.217 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.475 ( 0.000 0.000 0.000) 0.000 2.574 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.775 ( 0.000 0.000 0.000) 0.000 2.800 ( 0.000 0.000 0.000) 0.000 2.871 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.414 ( 0.000 0.000 0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 3.755 ( 0.000 0.000 0.000) 0.000 3.830 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 3.966 ( 0.000 0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.020 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 4.148 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.470 ( 0.000 0.000 0.000) 0.000 4.504 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.567 ( 0.000 0.000 0.000) 0.000 4.878 ( 0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 5.149 ( 0.000 0.000 0.000) 0.000 5.447 ( 0.000 0.000 0.000) 0.000 5.459 ( 0.000 0.000 0.000) 0.000 5.741 ( 0.000 0.000 0.000) 0.000 5.903 ( 0.000 0.000 0.000) 0.000 5.960 ( 0.000 0.000 0.000) 0.000 6.033 ( 0.000 0.000 0.000) 0.000 6.040 ( 0.000 0.000 0.000) 0.000 6.047 ( 0.000 0.000 0.000) 0.000 6.131 ( 0.000 0.000 0.000) 0.000 6.632 ( 0.000 0.000 0.000) 0.000 6.955 ( 0.000 0.000 0.000) 0.000 7.003 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.115 ( 0.000 0.000 0.000) 0.000 7.305 ( 0.000 0.000 0.000) 0.000 7.363 ( 0.000 0.000 0.000) 0.000 7.635 ( 0.000 0.000 0.000) 0.000 7.729 ( 0.000 0.000 0.000) 0.000 7.914 ( 0.000 0.000 0.000) 0.000 8.101 ( 0.000 0.000 0.000) 0.000 8.136 ( 0.000 0.000 0.000) 0.000 8.178 ( 0.000 0.000 0.000) 0.000 8.234 ( 0.000 0.000 0.000) 0.000 8.289 ( 0.000 0.000 0.000) 0.000 8.613 ( 0.000 0.000 0.000) 0.000 8.749 ( 0.000 0.000 0.000) 0.000 11.723 ( 0.000 0.000 0.000) 0.000 11.762 ( 0.000 0.000 0.000) 0.000 11.786 ( 0.000 0.000 0.000) 0.000 11.926 ( 0.000 0.000 0.000) 0.000 15.091 ( 0.000 0.000 0.000) 0.000 15.135 ( 0.000 0.000 0.000) 0.000 15.342 ( 0.000 0.000 0.000) 0.000 15.518 ( 0.000 0.000 0.000) 0.000 15.573 ( 0.000 0.000 0.000) 0.000 15.593 ( 0.000 0.000 0.000) 0.000 15.816 ( 0.000 0.000 0.000) 0.000 15.893 ( 0.000 0.000 0.000) 0.000 16.028 ( 0.000 0.000 0.000) 0.000 16.036 ( 0.000 0.000 0.000) 0.000 16.116 ( 0.000 0.000 0.000) 0.000 16.638 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( 1.124 -24.084 -0.461) 24.114 0.508 ( 5.395 -23.931 3.354) 24.759 0.907 ( 23.210 -35.538 -2.687) 42.531 1.070 ( -1.162 1.039 -0.149) 1.566 1.194 ( 0.045 -0.881 0.828) 1.210 1.576 ( 0.245 -2.224 -0.012) 2.237 1.739 ( 4.393 -4.618 1.573) 6.565 2.024 ( -3.059 -0.847 0.075) 3.175 2.062 ( -1.086 -0.927 -1.270) 1.911 2.224 ( -4.811 6.559 0.842) 8.178 2.250 ( 1.379 2.023 1.425) 2.833 2.438 ( 1.354 3.750 -0.093) 3.988 2.449 ( -1.269 0.522 -0.684) 1.533 2.517 ( -2.574 2.064 -0.702) 3.373 2.560 ( 1.130 0.349 -1.663) 2.041 2.621 ( 2.358 8.147 1.378) 8.592 2.757 ( 2.529 2.757 -0.895) 3.847 2.883 ( -2.768 -1.531 0.897) 3.288 2.952 ( 0.528 0.070 1.694) 1.776 2.977 ( 0.913 -5.151 -2.107) 5.640 2.999 ( 0.954 4.271 -0.830) 4.454 3.127 ( -0.618 6.675 -1.102) 6.794 3.455 ( 0.253 -5.717 0.930) 5.798 3.483 ( -0.116 -5.282 1.016) 5.380 3.605 ( -0.444 4.772 1.165) 4.932 3.750 ( 1.976 0.400 -0.406) 2.057 3.836 ( 0.560 -0.436 -0.301) 0.771 3.945 ( -2.319 0.965 2.194) 3.335 3.975 ( -0.106 -4.933 0.201) 4.939 4.020 ( 0.546 -3.396 -0.842) 3.541 4.101 ( -3.998 -3.826 -4.298) 7.007 4.123 ( 0.735 1.007 -0.553) 1.364 4.233 ( -0.804 0.575 -0.561) 1.137 4.260 ( 1.869 0.623 6.720) 7.003 4.464 ( -3.259 -0.426 -0.378) 3.308 4.485 ( 3.613 3.675 -4.273) 6.694 4.572 ( 0.160 -0.786 2.540) 2.663 4.792 ( 0.225 -0.336 1.916) 1.958 4.921 ( -2.566 0.335 -2.992) 3.956 4.984 ( 1.264 0.453 3.492) 3.741 5.025 ( 5.105 -0.963 -2.754) 5.880 5.305 ( -4.120 1.180 -4.632) 6.310 5.455 ( -3.170 -1.391 -3.226) 4.732 5.492 ( 0.360 -3.211 3.176) 4.531 5.755 ( -1.356 -0.954 2.308) 2.841 5.860 ( -3.365 2.753 -2.186) 4.867 5.957 ( -0.814 3.992 0.474) 4.102 5.994 ( -0.040 -2.691 -0.154) 2.695 6.022 ( 1.643 3.597 1.566) 4.253 6.106 ( -2.364 -3.147 2.186) 4.503 6.144 ( 0.901 -1.990 -0.864) 2.349 6.596 ( 0.253 4.528 -0.050) 4.535 6.896 ( -4.188 3.916 1.921) 6.047 6.985 ( -0.278 2.651 -0.577) 2.727 7.113 ( 0.227 0.061 2.747) 2.757 7.153 ( 3.903 0.456 -1.650) 4.262 7.403 ( 1.011 -3.485 -0.579) 3.674 7.470 ( -12.610 -6.494 0.874) 14.211 7.724 ( 4.985 7.284 1.273) 8.918 7.796 ( -0.510 -0.383 1.070) 1.246 7.920 ( 12.912 6.449 -0.582) 14.445 8.102 ( 1.626 0.505 -0.762) 1.865 8.182 ( 0.220 -1.411 3.501) 3.781 8.207 ( 2.817 -2.354 -3.404) 5.006 8.287 ( -0.054 0.106 -0.147) 0.189 8.307 ( -1.204 -3.953 -3.354) 5.322 8.609 ( -0.031 0.422 -0.196) 0.466 8.732 ( 0.305 1.966 0.271) 2.008 11.724 ( -0.217 -0.221 -0.780) 0.839 11.770 ( 0.285 -0.697 0.362) 0.835 11.784 ( 0.445 0.548 0.537) 0.886 11.932 ( -0.707 0.458 -0.334) 0.906 15.098 ( -0.551 -1.130 -0.590) 1.389 15.277 ( -4.815 -4.206 -3.515) 7.296 15.352 ( 0.087 1.708 8.057) 8.237 15.520 ( 0.204 -0.053 -0.725) 0.755 15.571 ( 1.170 2.188 -2.269) 3.362 15.617 ( 4.893 2.194 -0.212) 5.366 15.900 ( 0.226 -0.366 0.079) 0.438 16.011 ( -2.122 0.809 -1.716) 2.847 16.056 ( 2.064 -1.458 0.243) 2.538 16.128 ( -0.110 -1.607 -0.544) 1.701 16.189 ( -3.464 -2.482 1.683) 4.582 16.673 ( -6.194 2.057 -0.206) 6.530 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 3.896 -18.324 -1.339) 18.781 0.943 ( 1.706 -18.182 5.349) 19.029 1.036 ( -1.421 0.560 -0.109) 1.531 1.211 ( 1.015 -4.524 -2.353) 5.199 1.616 ( 0.112 -1.280 -1.301) 1.828 1.669 ( 17.119 -21.523 -2.505) 27.615 1.887 ( 4.293 -6.472 3.974) 8.724 1.978 ( -6.942 1.578 2.596) 7.577 2.071 ( -2.108 -1.304 -1.355) 2.825 2.100 ( -5.286 -0.007 -0.431) 5.303 2.228 ( 4.122 1.155 1.670) 4.595 2.373 ( 4.978 4.847 -3.778) 7.908 2.442 ( -1.109 -1.894 1.223) 2.513 2.462 ( -3.496 0.475 -2.802) 4.505 2.497 ( 1.069 7.235 1.185) 7.409 2.516 ( 1.270 6.252 -0.205) 6.383 2.715 ( 3.356 4.634 0.974) 5.804 2.786 ( -2.510 6.994 2.497) 7.840 2.932 ( 0.895 2.631 -1.189) 3.023 2.989 ( 1.896 -0.764 1.366) 2.458 3.077 ( -1.321 -4.558 -0.254) 4.752 3.096 ( 1.161 -4.193 -3.791) 5.771 3.481 ( -1.276 5.349 0.668) 5.540 3.517 ( -3.364 -1.369 1.811) 4.058 3.586 ( 0.413 -2.758 0.844) 2.913 3.745 ( -1.036 3.816 1.862) 4.371 3.852 ( 4.017 -0.858 -0.764) 4.178 3.924 ( -3.081 -3.010 0.343) 4.321 4.033 ( -3.067 -2.465 -0.090) 3.936 4.070 ( -0.462 -1.381 0.120) 1.461 4.126 ( 2.861 0.218 -1.967) 3.479 4.149 ( -3.081 -2.445 -0.364) 3.950 4.237 ( 1.048 -1.805 -1.100) 2.359 4.256 ( 1.572 1.040 2.006) 2.752 4.432 ( -1.306 0.552 3.189) 3.490 4.462 ( -0.584 -0.104 -6.984) 7.009 4.606 ( 1.047 -1.806 2.147) 2.995 4.782 ( 0.226 2.196 0.929) 2.395 4.897 ( -0.627 -0.202 -3.584) 3.644 4.981 ( 2.177 1.821 3.391) 4.422 5.090 ( 2.558 -1.902 -0.483) 3.224 5.260 ( 0.060 0.777 -2.688) 2.798 5.439 ( -2.904 -0.589 -1.922) 3.532 5.562 ( 2.042 -2.415 3.122) 4.444 5.739 ( -6.502 2.504 1.744) 7.183 5.786 ( -0.972 -0.357 -1.620) 1.923 5.875 ( -1.783 3.122 -1.181) 3.784 5.973 ( 3.043 3.748 1.504) 5.057 6.012 ( -1.229 0.222 1.229) 1.752 6.144 ( -2.214 -2.331 0.239) 3.223 6.211 ( 1.617 -4.408 0.099) 4.696 6.503 ( -0.959 4.667 -0.592) 4.801 6.792 ( -3.736 3.030 0.689) 4.860 6.942 ( 2.087 3.244 0.674) 3.916 7.095 ( -2.299 0.461 0.645) 2.432 7.171 ( 3.661 0.998 -1.597) 4.117 7.460 ( 0.563 -0.923 0.229) 1.106 7.497 ( -3.748 -4.108 -1.229) 5.695 7.599 ( -0.889 5.195 -0.099) 5.272 7.851 ( 4.108 -0.993 1.570) 4.509 7.922 ( 2.895 0.454 2.061) 3.582 8.096 ( -1.399 0.692 -3.492) 3.825 8.184 ( -0.137 0.431 4.736) 4.757 8.270 ( 1.329 -0.472 -3.140) 3.442 8.300 ( 3.768 -1.667 0.595) 4.163 8.389 ( -0.999 -5.473 -1.370) 5.730 8.595 ( -0.916 0.553 -0.734) 1.297 8.686 ( 0.749 3.518 0.493) 3.631 11.726 ( -0.571 -0.516 -0.933) 1.210 11.775 ( 0.522 0.859 0.927) 1.367 11.795 ( 0.695 -1.259 0.419) 1.498 11.911 ( -0.621 1.104 -0.508) 1.364 15.121 ( -0.784 -2.194 -0.867) 2.486 15.273 ( 0.321 2.781 1.859) 3.361 15.365 ( -0.999 -3.488 0.217) 3.635 15.517 ( -0.017 0.530 -0.610) 0.808 15.544 ( 0.343 1.104 -1.081) 1.582 15.619 ( 1.662 0.766 0.398) 1.873 15.904 ( 0.280 0.155 -0.098) 0.335 15.969 ( -2.066 1.324 -1.003) 2.651 16.110 ( 3.086 -1.347 0.713) 3.442 16.156 ( -2.118 -1.781 6.129) 6.725 16.217 ( 0.527 -2.572 -5.644) 6.225 16.555 ( -4.775 4.834 0.238) 6.799 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -0.492 0.504 -0.023) 0.704 1.066 ( 0.903 -1.548 0.369) 1.830 1.268 ( -0.507 -14.282 1.183) 14.340 1.387 ( 4.015 -7.588 -1.034) 8.647 1.583 ( 0.511 4.999 -0.451) 5.045 1.853 ( 0.333 0.749 -1.163) 1.422 1.901 ( -3.260 0.194 3.202) 4.574 1.992 ( -4.430 -0.447 1.241) 4.622 2.081 ( 3.672 -1.939 -0.083) 4.153 2.160 ( -1.766 -5.847 -0.587) 6.136 2.305 ( 1.781 9.730 -2.352) 10.168 2.335 ( 3.368 -2.759 0.664) 4.405 2.383 ( 2.044 1.238 -3.541) 4.272 2.435 ( 0.594 1.140 1.261) 1.801 2.461 ( -0.620 -1.291 -1.600) 2.147 2.483 ( 0.157 -0.905 0.644) 1.122 2.637 ( -0.917 3.916 0.942) 4.130 2.749 ( 3.589 -2.094 2.555) 4.878 2.926 ( 6.169 -1.734 -0.714) 6.448 3.065 ( 1.175 -3.460 1.756) 4.054 3.097 ( -5.021 -1.334 2.419) 5.731 3.186 ( 1.188 -3.165 -5.373) 6.348 3.329 ( -3.376 8.611 -0.444) 9.260 3.452 ( -2.733 3.434 2.207) 4.913 3.615 ( -1.074 -0.874 -0.129) 1.390 3.684 ( 0.402 1.063 0.468) 1.229 3.928 ( 3.908 -2.242 -0.039) 4.506 3.954 ( -2.540 -2.728 0.408) 3.749 4.026 ( -1.448 1.933 1.361) 2.772 4.070 ( -1.034 -0.245 0.082) 1.066 4.118 ( 1.285 1.350 -2.562) 3.168 4.122 ( -2.263 0.581 0.506) 2.390 4.268 ( 0.726 -0.460 -1.206) 1.481 4.308 ( 1.673 -2.418 0.386) 2.965 4.437 ( 0.913 -0.439 4.265) 4.384 4.456 ( -1.841 -0.755 -4.911) 5.299 4.656 ( -0.630 -3.120 0.815) 3.286 4.731 ( 1.515 3.723 -0.109) 4.021 4.896 ( -0.263 -0.178 -1.506) 1.539 4.976 ( 1.054 0.592 1.815) 2.181 5.125 ( 0.556 -0.500 -0.243) 0.787 5.265 ( 0.690 -0.441 -1.479) 1.691 5.439 ( 0.271 -0.909 0.597) 1.121 5.605 ( 2.965 0.901 1.420) 3.409 5.623 ( -6.291 1.785 -0.775) 6.585 5.789 ( -0.491 -0.661 -1.371) 1.600 5.828 ( -1.632 0.794 1.213) 2.183 5.959 ( 2.254 0.406 -1.637) 2.815 5.991 ( -0.673 1.036 2.880) 3.133 6.135 ( -1.434 0.423 -0.616) 1.617 6.322 ( 1.863 -5.168 0.177) 5.496 6.418 ( -1.452 3.742 -0.217) 4.019 6.732 ( -1.431 0.951 0.144) 1.725 6.904 ( 1.313 2.196 0.276) 2.573 7.078 ( -1.127 -0.223 0.216) 1.169 7.179 ( 1.327 0.368 -0.717) 1.552 7.462 ( 2.139 2.818 -0.418) 3.563 7.479 ( -3.705 -1.407 0.366) 3.980 7.582 ( 0.329 -0.831 -0.549) 1.049 7.895 ( 3.153 -0.348 0.085) 3.174 7.957 ( 0.413 -1.402 2.521) 2.914 8.044 ( -2.633 1.566 -2.639) 4.044 8.189 ( 0.362 -0.078 2.465) 2.493 8.269 ( -0.100 0.102 -1.302) 1.310 8.372 ( 2.871 -1.456 -0.069) 3.220 8.459 ( -0.441 -2.357 -0.018) 2.398 8.583 ( -2.122 -1.621 -1.280) 2.961 8.624 ( 1.458 4.197 0.798) 4.514 11.730 ( -0.364 -0.357 -0.492) 0.709 11.766 ( 0.337 0.537 0.466) 0.787 11.826 ( 0.605 -1.205 0.485) 1.433 11.882 ( -0.535 1.104 -0.487) 1.320 15.161 ( -0.794 -3.086 -1.014) 3.344 15.217 ( 0.702 3.689 1.401) 4.008 15.430 ( 0.133 -3.329 0.133) 3.335 15.492 ( -0.588 1.814 -0.612) 2.003 15.536 ( 0.344 0.244 -0.109) 0.435 15.620 ( 0.445 0.196 0.140) 0.507 15.903 ( 0.264 0.099 -0.220) 0.358 15.933 ( -0.970 0.782 -0.131) 1.253 16.148 ( 2.342 0.237 1.064) 2.583 16.168 ( -2.082 -1.308 1.631) 2.951 16.276 ( 1.526 -2.817 -2.858) 4.293 16.435 ( -2.900 3.737 0.675) 4.778 ======================= Grid point 8 (5/72) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( 20.054 0.000 -5.630) 20.829 0.471 ( 25.362 0.000 0.786) 25.374 0.767 ( 41.242 0.000 1.796) 41.281 1.063 ( -2.259 -0.000 -0.492) 2.312 1.182 ( -1.200 -0.000 0.645) 1.362 1.572 ( 1.743 0.000 2.812) 3.308 1.752 ( 7.810 0.000 1.566) 7.965 1.983 ( -4.435 -0.000 -0.645) 4.482 2.040 ( -1.982 -0.000 -2.079) 2.872 2.214 ( -2.599 -0.000 -0.682) 2.687 2.318 ( -1.000 -0.000 2.115) 2.340 2.371 ( -6.443 -0.000 0.784) 6.491 2.485 ( 1.814 0.000 0.216) 1.827 2.528 ( 3.227 0.000 0.739) 3.311 2.649 ( -5.875 -0.000 -2.885) 6.545 2.774 ( 0.853 0.000 -2.929) 3.051 2.776 ( -2.006 -0.000 -0.525) 2.073 2.817 ( 1.241 0.000 1.079) 1.645 2.852 ( -0.428 -0.000 -1.619) 1.674 3.002 ( 3.224 0.000 0.402) 3.249 3.064 ( 0.372 0.000 -0.026) 0.373 3.193 ( -1.358 -0.000 -0.499) 1.447 3.402 ( 0.312 0.000 -1.135) 1.177 3.434 ( 3.364 0.000 1.323) 3.615 3.639 ( -2.255 -0.000 3.399) 4.079 3.786 ( 2.306 0.000 -1.408) 2.702 3.815 ( -1.740 -0.000 -0.626) 1.849 3.905 ( 1.122 0.000 2.200) 2.469 3.969 ( -2.638 -0.000 1.799) 3.193 3.993 ( 0.635 0.000 0.700) 0.945 4.026 ( 1.199 0.000 0.809) 1.447 4.134 ( 0.427 0.000 -6.019) 6.035 4.228 ( -2.328 -0.000 -0.948) 2.513 4.312 ( 2.678 0.000 10.741) 11.070 4.431 ( -3.342 -0.000 -0.961) 3.477 4.518 ( -3.646 -0.000 4.718) 5.963 4.566 ( -0.136 -0.000 -5.658) 5.660 4.811 ( 0.249 0.000 4.137) 4.144 4.888 ( 0.892 0.000 -1.787) 1.997 4.995 ( 2.404 0.000 -0.994) 2.601 5.089 ( 3.629 0.000 -13.606) 14.081 5.176 ( 2.790 0.000 -1.219) 3.044 5.420 ( -3.612 -0.000 -0.981) 3.743 5.451 ( 0.146 0.000 1.481) 1.488 5.739 ( -1.145 -0.000 5.170) 5.295 5.857 ( -3.418 -0.000 -3.536) 4.918 5.952 ( -1.460 -0.000 -0.554) 1.562 5.994 ( -3.673 -0.000 -0.858) 3.772 6.033 ( -0.887 -0.000 3.538) 3.647 6.102 ( -2.462 -0.000 -1.396) 2.831 6.111 ( 3.968 0.000 3.304) 5.163 6.657 ( -0.753 -0.000 -0.193) 0.777 6.919 ( -6.973 -0.000 2.999) 7.590 6.922 ( -5.442 -0.000 0.397) 5.456 7.198 ( 5.958 0.000 6.779) 9.025 7.220 ( 5.659 0.000 2.553) 6.208 7.270 ( -0.682 -0.000 -1.655) 1.789 7.369 ( 0.974 0.000 -1.728) 1.984 7.773 ( 3.775 0.000 1.960) 4.253 7.843 ( -7.092 -0.000 3.817) 8.054 8.101 ( 1.039 0.000 -7.104) 7.179 8.142 ( -1.418 -0.000 6.729) 6.876 8.185 ( 0.803 0.000 6.444) 6.493 8.208 ( -1.573 -0.000 -1.357) 2.078 8.278 ( 2.211 0.000 -10.461) 10.693 8.298 ( 3.779 0.000 -8.986) 9.748 8.622 ( 0.952 0.000 -0.314) 1.002 8.753 ( 0.358 0.000 0.257) 0.441 11.718 ( -0.811 -0.000 -1.502) 1.707 11.768 ( 0.567 0.000 0.549) 0.789 11.799 ( 0.963 0.000 0.964) 1.363 11.920 ( -0.644 -0.000 -0.501) 0.816 15.093 ( 0.175 0.000 0.228) 0.288 15.129 ( -0.515 -0.000 -0.742) 0.903 15.374 ( -1.633 -0.000 7.703) 7.874 15.513 ( -0.455 -0.000 -0.118) 0.471 15.593 ( 0.042 0.000 -0.407) 0.409 15.829 ( 1.310 0.000 -0.177) 1.322 15.900 ( 0.744 0.000 0.292) 0.799 15.979 ( 2.516 0.000 -19.373) 19.536 16.040 ( 0.703 0.000 -1.801) 1.933 16.044 ( 1.654 0.000 0.587) 1.755 16.125 ( -2.680 -0.000 16.396) 16.614 16.601 ( -3.978 -0.000 0.338) 3.992 ======================= Grid point 9 (6/72) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 21.393 -6.390 2.318) 22.447 0.697 ( 13.317 -15.753 -1.383) 20.674 1.033 ( -2.600 0.715 -0.517) 2.746 1.168 ( 0.256 -1.285 -1.250) 1.811 1.423 ( 27.470 -23.465 -0.184) 36.128 1.600 ( 2.191 -1.066 2.129) 3.236 1.850 ( 4.286 -1.965 4.256) 6.352 1.939 ( -4.752 -0.216 -0.515) 4.785 2.025 ( -3.413 -1.037 -2.343) 4.268 2.107 ( -3.586 4.648 -2.185) 6.264 2.316 ( 3.618 1.998 2.676) 4.924 2.359 ( -7.452 -2.818 0.162) 7.969 2.479 ( -0.047 4.532 -1.116) 4.668 2.502 ( 1.763 4.242 -0.168) 4.597 2.549 ( -0.474 -0.898 -0.367) 1.079 2.654 ( 0.122 7.702 0.544) 7.722 2.788 ( 0.858 1.008 -0.933) 1.619 2.839 ( -1.567 0.479 -0.696) 1.780 2.944 ( -0.311 -6.244 1.990) 6.561 3.002 ( 1.585 1.990 -0.434) 2.581 3.041 ( 2.593 2.429 -0.420) 3.578 3.116 ( 0.286 4.851 -2.902) 5.659 3.442 ( -1.534 -3.694 0.079) 4.000 3.490 ( -0.332 -2.019 3.654) 4.187 3.595 ( -1.747 2.144 1.916) 3.365 3.782 ( 0.717 0.484 -0.791) 1.172 3.821 ( -2.647 -1.912 0.671) 3.334 3.915 ( -1.151 3.235 2.051) 3.999 3.951 ( -0.957 -1.967 0.144) 2.192 4.031 ( 0.557 -2.064 0.359) 2.168 4.066 ( 0.089 -4.327 0.851) 4.410 4.150 ( 1.536 -0.420 -4.094) 4.393 4.211 ( 0.099 -1.496 -0.966) 1.783 4.307 ( 1.849 2.696 2.909) 4.376 4.393 ( -3.038 -0.276 -2.609) 4.014 4.515 ( 0.130 3.201 -4.744) 5.724 4.572 ( -0.484 -4.008 5.083) 6.491 4.803 ( -0.080 0.679 1.453) 1.606 4.891 ( -0.156 0.260 -3.408) 3.422 5.026 ( 3.055 0.245 1.479) 3.403 5.108 ( 4.651 0.060 -2.452) 5.258 5.245 ( -0.015 -2.269 -4.754) 5.268 5.386 ( -3.211 -0.954 -1.309) 3.596 5.503 ( -0.231 -4.284 3.230) 5.370 5.724 ( -3.780 0.795 3.801) 5.419 5.793 ( -2.010 2.243 -2.081) 3.661 5.900 ( -5.434 2.641 -2.533) 6.551 5.976 ( -2.609 -1.856 1.090) 3.382 6.046 ( -0.321 1.103 0.105) 1.153 6.074 ( -0.869 -1.926 1.663) 2.689 6.170 ( 2.211 -1.989 1.377) 3.277 6.586 ( -1.080 5.333 -0.756) 5.494 6.818 ( -4.311 3.670 1.648) 5.897 6.931 ( -3.617 -3.774 0.834) 5.294 7.154 ( 2.511 5.131 0.148) 5.715 7.238 ( 2.238 2.460 0.178) 3.331 7.355 ( -0.583 -4.002 1.501) 4.314 7.446 ( 4.497 -4.766 -1.162) 6.655 7.704 ( -4.750 6.698 1.590) 8.364 7.837 ( 3.287 -2.650 3.131) 5.256 8.050 ( 3.243 6.227 -1.142) 7.113 8.093 ( -2.956 1.051 -3.084) 4.399 8.197 ( 0.576 0.231 5.530) 5.564 8.262 ( 0.251 -4.075 -0.283) 4.093 8.279 ( -0.275 -1.380 -3.537) 3.806 8.324 ( 5.916 -0.412 -4.165) 7.247 8.611 ( 0.312 1.617 -0.462) 1.710 8.741 ( 0.459 1.746 0.407) 1.850 11.712 ( -0.713 -0.318 -1.205) 1.435 11.782 ( 0.763 -0.650 0.913) 1.356 11.800 ( 0.919 0.752 0.783) 1.423 11.914 ( -1.014 0.122 -0.726) 1.253 15.085 ( -0.602 -0.648 -0.804) 1.195 15.218 ( -1.649 -6.652 -0.332) 6.861 15.352 ( -1.164 1.633 3.900) 4.385 15.512 ( -0.605 -0.217 -0.399) 0.757 15.581 ( 0.519 1.309 -0.901) 1.672 15.714 ( 4.808 7.004 -1.002) 8.554 15.908 ( 0.555 0.044 0.221) 0.599 15.985 ( -0.233 1.632 -2.262) 2.799 16.078 ( 0.202 -3.309 -0.313) 3.330 16.123 ( -0.408 -2.124 0.269) 2.180 16.152 ( -0.297 -3.993 2.365) 4.651 16.555 ( -6.463 1.152 0.279) 6.571 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -0.331 -0.891 0.693) 1.177 1.013 ( 2.841 -6.219 1.327) 6.965 1.056 ( 13.290 -11.589 0.591) 17.643 1.264 ( 5.798 -9.470 -1.387) 11.190 1.634 ( 1.270 -1.029 -0.240) 1.652 1.828 ( -7.033 1.046 4.686) 8.515 1.862 ( -1.689 -3.795 -0.315) 4.166 1.951 ( -2.048 0.776 0.146) 2.195 2.038 ( 6.729 -7.653 -0.901) 10.230 2.128 ( 6.570 -0.899 -2.982) 7.271 2.291 ( 2.520 -1.895 -1.292) 3.407 2.344 ( -4.982 -2.119 -0.028) 5.414 2.416 ( -0.211 3.594 -3.689) 5.155 2.451 ( 0.285 1.352 0.440) 1.450 2.528 ( -0.907 6.236 1.745) 6.539 2.565 ( 4.176 3.448 3.250) 6.316 2.730 ( -2.459 6.047 -1.744) 6.757 2.784 ( 4.125 1.851 2.559) 5.196 2.981 ( 4.555 -0.079 -1.015) 4.667 3.024 ( 1.405 -1.218 2.077) 2.788 3.048 ( -1.548 -0.789 -0.649) 1.855 3.110 ( 1.832 -3.920 -3.975) 5.876 3.443 ( -2.521 6.082 1.862) 6.841 3.476 ( -2.152 -0.609 1.890) 2.928 3.570 ( -3.293 -1.248 1.232) 3.731 3.732 ( -0.978 4.587 1.276) 4.861 3.845 ( -3.979 -4.947 -1.303) 6.481 3.908 ( 1.032 -2.992 -0.166) 3.169 3.974 ( -1.839 -1.557 0.298) 2.428 4.059 ( -1.766 -0.450 0.697) 1.951 4.094 ( -2.018 -0.195 0.694) 2.142 4.175 ( 2.171 -0.553 -2.620) 3.448 4.274 ( 1.649 -2.206 1.038) 2.943 4.288 ( 3.256 0.795 -1.073) 3.519 4.396 ( -1.208 -2.521 -2.254) 3.591 4.464 ( -0.208 1.634 -1.355) 2.133 4.623 ( 0.978 -0.687 2.932) 3.166 4.788 ( -0.153 1.129 -0.198) 1.156 4.886 ( 0.119 -0.309 -2.573) 2.595 5.028 ( 2.437 2.244 1.998) 3.868 5.145 ( 3.682 0.418 -0.194) 3.711 5.264 ( 1.128 -0.446 -3.242) 3.462 5.405 ( -0.078 -2.785 0.380) 2.812 5.555 ( -5.359 -1.307 2.630) 6.111 5.657 ( -1.252 1.470 -0.530) 2.003 5.765 ( -1.126 -0.156 -2.115) 2.401 5.817 ( -3.455 0.613 -0.008) 3.509 5.971 ( -3.685 -0.433 2.631) 4.549 6.017 ( 0.810 1.797 0.665) 2.081 6.106 ( -1.417 -1.427 -0.316) 2.036 6.246 ( 2.021 -4.542 0.416) 4.989 6.479 ( -1.169 4.667 -0.892) 4.893 6.733 ( -2.693 2.103 0.865) 3.525 6.973 ( 0.182 -1.647 1.041) 1.957 7.074 ( 0.980 4.514 -0.467) 4.643 7.203 ( -0.544 1.856 -1.384) 2.379 7.394 ( -2.763 -2.136 0.896) 3.605 7.532 ( 1.007 2.231 1.066) 2.669 7.604 ( 3.777 -0.038 -1.587) 4.097 7.908 ( 0.846 -1.839 3.067) 3.674 7.986 ( 3.172 3.517 -0.272) 4.744 8.039 ( -2.943 0.899 -2.783) 4.149 8.205 ( 1.004 0.539 4.751) 4.886 8.268 ( -0.056 0.106 -1.650) 1.654 8.367 ( -0.360 -4.984 0.593) 5.032 8.389 ( 4.238 -1.856 -3.222) 5.638 8.568 ( -1.780 2.038 -0.882) 2.846 8.702 ( 0.724 3.052 0.498) 3.176 11.714 ( -0.475 -0.672 -0.793) 1.143 11.786 ( 0.425 1.031 0.839) 1.396 11.812 ( 1.015 -1.156 0.692) 1.687 11.894 ( -0.933 0.897 -0.828) 1.536 15.103 ( -0.905 -2.167 -0.921) 2.522 15.281 ( 0.093 1.691 1.921) 2.561 15.344 ( -1.236 -4.514 -0.147) 4.682 15.503 ( -0.722 0.600 -0.801) 1.235 15.562 ( 0.998 1.282 -0.338) 1.660 15.661 ( 2.687 3.064 0.274) 4.085 15.907 ( -0.025 0.292 0.163) 0.335 15.950 ( 0.088 1.635 -0.922) 1.879 16.122 ( -2.094 -1.682 2.953) 3.992 16.163 ( 1.743 -1.997 1.796) 3.202 16.223 ( 1.706 -3.390 -4.182) 5.647 16.457 ( -5.851 2.850 0.598) 6.536 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -0.852 -0.648 -0.138) 1.079 1.066 ( -0.584 -0.629 0.227) 0.888 1.358 ( 8.433 -8.367 1.012) 11.923 1.450 ( 2.480 -0.140 -0.016) 2.484 1.619 ( 3.972 7.017 -1.697) 8.240 1.800 ( -4.346 -3.991 6.848) 9.040 1.890 ( -0.086 -4.678 -4.255) 6.325 1.965 ( 1.521 -3.315 -1.267) 3.861 2.056 ( -6.591 -1.988 2.028) 7.177 2.170 ( 2.326 0.831 -2.158) 3.280 2.307 ( -1.134 6.083 -2.932) 6.847 2.347 ( -2.228 3.446 4.216) 5.884 2.360 ( -1.827 -0.376 -0.540) 1.942 2.433 ( -0.571 1.269 -0.221) 1.409 2.475 ( 2.400 -2.650 -2.275) 4.238 2.517 ( 2.387 3.457 3.969) 5.780 2.623 ( -0.929 2.691 -2.567) 3.833 2.798 ( 2.590 3.035 -0.128) 3.992 2.962 ( -5.243 5.961 0.070) 7.939 3.096 ( 4.532 -2.212 0.920) 5.126 3.142 ( 7.438 -6.720 -3.335) 10.564 3.196 ( 2.061 -2.713 -0.035) 3.408 3.251 ( -4.410 7.207 1.808) 8.641 3.446 ( 0.079 0.034 2.154) 2.156 3.591 ( -1.594 -3.099 0.300) 3.498 3.681 ( -0.516 1.172 -0.107) 1.285 3.894 ( -3.114 -3.579 0.109) 4.745 3.946 ( -6.202 0.142 -0.991) 6.282 3.996 ( 3.676 -2.759 -2.027) 5.024 4.052 ( -0.809 -1.428 0.748) 1.804 4.087 ( -0.403 -0.163 3.200) 3.229 4.178 ( 2.982 1.548 -2.058) 3.940 4.287 ( -0.464 0.474 0.423) 0.786 4.319 ( 1.026 0.398 -1.042) 1.515 4.423 ( -0.652 -0.849 -3.155) 3.332 4.472 ( 1.379 -1.794 3.750) 4.380 4.640 ( -0.882 -1.605 0.916) 2.047 4.746 ( -0.075 3.632 -0.736) 3.707 4.896 ( 0.700 -0.497 -1.873) 2.060 5.000 ( 0.953 2.718 1.503) 3.249 5.155 ( 2.786 1.651 0.183) 3.244 5.273 ( 0.526 0.315 -0.551) 0.824 5.441 ( -1.454 0.417 0.091) 1.516 5.520 ( -3.295 -3.257 0.054) 4.633 5.651 ( 1.250 -0.857 -0.440) 1.578 5.784 ( 0.305 -1.528 -1.679) 2.291 5.814 ( 0.563 -1.278 0.347) 1.438 5.945 ( -3.413 -0.006 3.414) 4.827 5.989 ( -0.490 1.509 -0.602) 1.697 6.117 ( -0.179 -1.532 -0.668) 1.681 6.355 ( 1.460 -4.857 -0.017) 5.071 6.392 ( -1.110 4.096 -0.333) 4.257 6.703 ( -1.466 -0.892 0.358) 1.753 6.952 ( 3.163 4.780 0.171) 5.734 7.059 ( -0.765 -2.265 -0.345) 2.415 7.161 ( -2.540 0.914 -0.460) 2.738 7.393 ( -3.671 -1.527 0.894) 4.075 7.500 ( 1.010 0.381 -0.690) 1.281 7.650 ( 5.716 1.873 0.468) 6.033 7.896 ( -2.930 1.826 -1.093) 3.621 7.976 ( 0.741 0.614 0.891) 1.312 8.039 ( 2.372 -1.705 0.048) 2.922 8.199 ( 0.219 1.225 0.878) 1.523 8.270 ( 0.395 -0.170 0.028) 0.431 8.392 ( -0.610 2.209 0.652) 2.383 8.464 ( 1.151 -2.416 -1.380) 3.011 8.535 ( -2.601 -2.441 -0.924) 3.685 8.650 ( 1.040 3.353 0.664) 3.573 11.725 ( -0.050 -0.871 -0.281) 0.917 11.769 ( -0.009 0.991 0.273) 1.028 11.839 ( 0.634 -0.085 0.606) 0.881 11.871 ( -0.572 0.090 -0.612) 0.842 15.143 ( -0.818 -3.198 -0.789) 3.394 15.228 ( 0.273 3.417 0.932) 3.553 15.429 ( -0.230 -4.321 0.197) 4.331 15.474 ( -0.686 1.638 -0.785) 1.942 15.550 ( 0.699 0.930 0.238) 1.187 15.638 ( 1.259 1.657 0.275) 2.099 15.900 ( -0.372 0.160 0.268) 0.486 15.935 ( 0.909 0.128 -0.444) 1.020 16.120 ( -2.388 -0.278 1.364) 2.765 16.206 ( 2.902 0.022 -0.821) 3.016 16.288 ( 0.103 -1.107 -0.903) 1.432 16.385 ( -2.450 -1.345 0.567) 2.852 ======================= Grid point 12 (9/72) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 0.022 -1.158 0.009) 1.158 1.045 ( -0.759 2.898 -0.102) 2.997 1.319 ( 0.013 14.163 -1.571) 14.250 1.363 ( 4.300 14.192 1.204) 14.878 1.587 ( 0.129 -5.395 0.325) 5.406 1.793 ( -4.561 3.208 1.712) 5.833 1.932 ( -1.736 2.309 -0.472) 2.927 2.065 ( 6.159 2.679 -3.995) 7.815 2.098 ( 5.142 -1.817 -0.869) 5.523 2.191 ( 1.023 4.338 0.272) 4.465 2.224 ( -6.225 -2.031 0.824) 6.600 2.254 ( -5.197 -12.712 3.060) 14.070 2.335 ( -2.248 9.867 1.047) 10.174 2.414 ( -0.998 -2.182 -1.372) 2.763 2.489 ( 1.433 1.456 2.186) 2.992 2.534 ( 4.865 0.985 0.166) 4.967 2.611 ( -3.476 0.486 0.007) 3.510 2.664 ( -3.610 -2.997 -2.948) 5.542 2.907 ( 1.405 -0.915 0.764) 1.843 3.027 ( -1.444 5.782 -2.034) 6.297 3.147 ( 0.120 2.006 -0.582) 2.093 3.204 ( 1.887 5.534 2.535) 6.373 3.346 ( -0.492 -8.689 -0.199) 8.705 3.543 ( 5.145 -3.516 0.268) 6.237 3.636 ( 1.129 0.916 0.294) 1.483 3.669 ( -0.331 -3.997 -0.717) 4.074 3.852 ( -4.315 2.777 -1.186) 5.267 3.930 ( -2.675 -2.227 0.294) 3.493 4.055 ( 2.345 -0.057 -0.908) 2.515 4.088 ( -0.462 -0.637 1.815) 1.978 4.098 ( 0.557 -2.399 0.599) 2.535 4.195 ( 3.433 -0.366 -2.023) 4.001 4.252 ( -3.044 1.661 1.101) 3.639 4.282 ( 0.388 3.698 0.210) 3.724 4.420 ( -0.187 0.168 -1.584) 1.604 4.514 ( 2.786 0.390 3.026) 4.132 4.649 ( -0.955 4.421 -0.178) 4.526 4.700 ( -1.581 -4.891 -0.791) 5.200 4.910 ( 0.864 -0.468 0.429) 1.072 4.956 ( -0.788 1.958 -0.941) 2.311 5.128 ( 0.420 3.009 0.270) 3.050 5.256 ( -0.487 0.852 0.911) 1.339 5.447 ( 1.073 -1.978 0.127) 2.254 5.541 ( -2.763 -1.057 -1.172) 3.182 5.738 ( 5.093 -4.306 1.005) 6.744 5.801 ( 0.393 -0.745 -1.090) 1.378 5.850 ( 1.314 -1.163 -2.400) 2.973 5.901 ( -4.066 1.091 3.447) 5.441 5.987 ( -0.343 -2.049 -0.955) 2.287 6.160 ( 0.939 -2.058 -0.003) 2.262 6.296 ( -0.862 5.506 -0.201) 5.577 6.438 ( 0.563 -3.472 0.027) 3.518 6.742 ( -0.064 -4.053 0.108) 4.055 6.912 ( 1.364 1.502 -0.233) 2.043 7.097 ( 1.207 -1.055 -1.333) 2.085 7.131 ( -3.189 -0.839 1.448) 3.601 7.407 ( -2.229 -2.673 0.415) 3.505 7.530 ( 1.352 -2.516 -0.662) 2.932 7.634 ( 3.369 4.270 1.507) 5.644 7.831 ( -2.574 1.725 -1.300) 3.360 7.952 ( 0.085 2.457 -0.737) 2.567 8.110 ( 3.319 -1.657 3.286) 4.955 8.169 ( -1.317 0.866 -3.598) 3.928 8.277 ( 0.301 0.133 2.058) 2.084 8.309 ( -2.990 3.396 -0.756) 4.587 8.469 ( 0.443 2.146 -0.230) 2.203 8.601 ( -0.735 -4.877 -0.170) 4.935 8.612 ( 0.746 1.535 0.389) 1.751 11.741 ( 0.658 -0.115 0.596) 0.895 11.755 ( -0.675 -0.130 -0.580) 0.899 11.818 ( -0.237 1.681 -0.181) 1.707 11.890 ( 0.219 -1.486 0.183) 1.513 15.174 ( 0.313 2.842 0.604) 2.923 15.201 ( -0.519 -3.734 -0.860) 3.867 15.426 ( -0.154 2.734 -0.021) 2.739 15.489 ( -0.384 -2.144 -0.022) 2.178 15.545 ( 0.627 0.134 0.391) 0.751 15.619 ( 0.128 1.152 -0.015) 1.159 15.898 ( -0.220 -0.161 0.197) 0.336 15.962 ( 1.622 -1.682 0.158) 2.342 16.096 ( -2.234 0.660 -0.405) 2.364 16.209 ( 2.510 2.139 -3.410) 4.744 16.251 ( -1.999 1.809 3.612) 4.507 16.474 ( 1.272 -6.457 -0.262) 6.586 ======================= Grid point 13 (10/72) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -0.000 17.391 0.000) 17.391 0.950 ( -0.000 22.558 0.000) 22.558 1.050 ( 0.000 -0.786 -0.000) 0.786 1.220 ( -0.000 3.489 0.000) 3.489 1.460 ( -0.000 30.423 0.000) 30.423 1.627 ( -0.000 1.796 0.000) 1.796 1.823 ( -0.000 6.473 0.000) 6.473 2.064 ( -0.000 1.649 0.000) 1.649 2.110 ( -0.000 3.576 0.000) 3.576 2.150 ( 0.000 -4.415 -0.000) 4.415 2.166 ( 0.000 -0.761 -0.000) 0.761 2.322 ( 0.000 -6.861 -0.000) 6.861 2.442 ( 0.000 -3.471 -0.000) 3.471 2.465 ( 0.000 -4.006 -0.000) 4.006 2.519 ( -0.000 0.524 0.000) 0.524 2.528 ( 0.000 -6.804 -0.000) 6.804 2.671 ( 0.000 -5.120 -0.000) 5.120 2.795 ( 0.000 -9.354 -0.000) 9.354 2.947 ( 0.000 -2.175 -0.000) 2.175 2.954 ( -0.000 1.741 0.000) 1.741 3.088 ( -0.000 3.500 0.000) 3.500 3.092 ( -0.000 5.944 0.000) 5.944 3.488 ( 0.000 -6.832 -0.000) 6.832 3.558 ( -0.000 3.315 0.000) 3.315 3.575 ( -0.000 4.595 0.000) 4.595 3.770 ( -0.000 2.926 0.000) 2.926 3.790 ( 0.000 -5.046 -0.000) 5.046 3.942 ( 0.000 -0.357 -0.000) 0.357 4.059 ( -0.000 1.333 0.000) 1.333 4.079 ( -0.000 1.900 0.000) 1.900 4.106 ( -0.000 1.808 0.000) 1.808 4.198 ( -0.000 4.308 0.000) 4.308 4.224 ( 0.000 -1.279 -0.000) 1.279 4.231 ( 0.000 -0.407 -0.000) 0.407 4.423 ( 0.000 -1.216 -0.000) 1.216 4.513 ( -0.000 1.683 0.000) 1.683 4.575 ( -0.000 1.631 0.000) 1.631 4.779 ( 0.000 -2.745 -0.000) 2.745 4.924 ( 0.000 -0.139 -0.000) 0.139 4.938 ( 0.000 -1.567 -0.000) 1.567 5.065 ( -0.000 3.695 0.000) 3.695 5.265 ( 0.000 -2.229 -0.000) 2.229 5.495 ( 0.000 -1.078 -0.000) 1.078 5.514 ( -0.000 1.745 0.000) 1.745 5.791 ( -0.000 2.431 0.000) 2.431 5.828 ( 0.000 -2.517 -0.000) 2.517 5.898 ( 0.000 -2.899 -0.000) 2.899 5.910 ( 0.000 -5.750 -0.000) 5.750 6.022 ( 0.000 -0.919 -0.000) 0.919 6.173 ( -0.000 1.570 0.000) 1.570 6.190 ( -0.000 4.894 0.000) 4.894 6.512 ( 0.000 -4.615 -0.000) 4.615 6.834 ( 0.000 -5.231 -0.000) 5.231 6.921 ( 0.000 -2.010 -0.000) 2.010 7.103 ( 0.000 -0.280 -0.000) 0.280 7.145 ( 0.000 -0.762 -0.000) 0.762 7.434 ( 0.000 -0.575 -0.000) 0.575 7.578 ( -0.000 2.548 0.000) 2.548 7.604 ( 0.000 -3.960 -0.000) 3.960 7.797 ( 0.000 -0.088 -0.000) 0.088 7.888 ( -0.000 4.446 0.000) 4.446 8.106 ( -0.000 1.835 0.000) 1.835 8.182 ( 0.000 -1.466 -0.000) 1.466 8.235 ( -0.000 2.406 0.000) 2.406 8.285 ( 0.000 -0.139 -0.000) 0.139 8.402 ( -0.000 4.955 0.000) 4.955 8.604 ( 0.000 -0.101 -0.000) 0.101 8.678 ( 0.000 -3.707 -0.000) 3.707 11.734 ( -0.000 0.629 0.000) 0.629 11.767 ( 0.000 -0.996 -0.000) 0.996 11.788 ( -0.000 1.348 0.000) 1.348 11.917 ( 0.000 -1.247 -0.000) 1.247 15.131 ( -0.000 2.075 0.000) 2.075 15.266 ( 0.000 -3.574 -0.000) 3.574 15.375 ( -0.000 2.724 0.000) 2.724 15.509 ( 0.000 -0.651 -0.000) 0.651 15.554 ( 0.000 -0.466 -0.000) 0.466 15.601 ( -0.000 0.656 0.000) 0.656 15.901 ( 0.000 -0.170 -0.000) 0.170 16.009 ( 0.000 -1.816 -0.000) 1.816 16.062 ( -0.000 1.383 0.000) 1.383 16.168 ( -0.000 2.690 0.000) 2.690 16.222 ( -0.000 1.123 0.000) 1.123 16.604 ( 0.000 -6.574 -0.000) 6.574 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 17.882 0.000 -4.468) 18.431 0.902 ( 21.837 0.000 0.566) 21.844 1.015 ( -2.466 -0.000 -0.824) 2.600 1.150 ( -1.945 -0.000 0.260) 1.963 1.461 ( 30.739 0.000 -0.856) 30.751 1.617 ( 4.676 0.000 6.643) 8.124 1.874 ( -1.553 -0.000 4.625) 4.879 1.897 ( -3.329 -0.000 -1.916) 3.841 1.991 ( 0.752 0.000 -1.018) 1.265 2.147 ( 0.108 0.000 -6.698) 6.698 2.234 ( -8.040 -0.000 0.553) 8.059 2.368 ( 3.349 0.000 3.777) 5.048 2.511 ( -0.434 -0.000 1.658) 1.714 2.542 ( -4.062 -0.000 -3.031) 5.068 2.548 ( -1.533 -0.000 -0.783) 1.721 2.706 ( -5.134 -0.000 0.378) 5.148 2.810 ( 3.301 0.000 1.034) 3.459 2.840 ( 1.499 0.000 -0.639) 1.630 2.845 ( -0.417 -0.000 -0.984) 1.069 3.070 ( 3.884 0.000 2.024) 4.380 3.074 ( 0.443 0.000 0.237) 0.502 3.163 ( -1.618 -0.000 -0.970) 1.886 3.386 ( -1.828 -0.000 -1.659) 2.468 3.457 ( -2.271 -0.000 0.276) 2.288 3.612 ( -1.553 -0.000 3.278) 3.627 3.788 ( -0.856 -0.000 1.079) 1.377 3.807 ( 0.690 0.000 0.050) 0.692 3.910 ( -2.250 -0.000 2.215) 3.157 3.934 ( -0.271 -0.000 -0.010) 0.271 4.012 ( -0.138 -0.000 0.587) 0.603 4.065 ( 2.853 0.000 0.388) 2.879 4.155 ( 3.082 0.000 -3.814) 4.903 4.175 ( -2.077 -0.000 -1.497) 2.560 4.371 ( -1.372 -0.000 -0.957) 1.673 4.402 ( 3.735 0.000 4.633) 5.951 4.460 ( -3.730 -0.000 3.539) 5.142 4.535 ( -1.648 -0.000 -5.103) 5.363 4.807 ( -1.230 -0.000 -1.540) 1.971 4.892 ( 0.274 0.000 -2.534) 2.549 5.066 ( 4.901 0.000 0.013) 4.901 5.153 ( 5.864 0.000 -2.585) 6.408 5.220 ( 1.880 0.000 -3.792) 4.232 5.361 ( -1.484 -0.000 1.446) 2.072 5.455 ( -0.498 -0.000 2.301) 2.354 5.700 ( -5.268 -0.000 2.100) 5.671 5.800 ( -1.738 -0.000 1.945) 2.609 5.871 ( -7.131 -0.000 -2.484) 7.551 5.910 ( -4.439 -0.000 -3.214) 5.480 6.026 ( -0.633 -0.000 1.596) 1.717 6.070 ( -0.370 -0.000 -0.900) 0.973 6.183 ( 2.827 0.000 3.473) 4.478 6.642 ( -0.673 -0.000 -0.582) 0.890 6.821 ( -4.379 -0.000 1.657) 4.682 6.844 ( -3.209 -0.000 0.376) 3.231 7.183 ( -3.519 -0.000 0.731) 3.594 7.301 ( 3.542 0.000 3.617) 5.062 7.398 ( 3.368 0.000 -3.246) 4.678 7.415 ( 10.618 0.000 0.073) 10.618 7.713 ( -7.829 -0.000 3.690) 8.655 7.837 ( 1.383 0.000 4.175) 4.398 8.058 ( -4.742 -0.000 -4.809) 6.753 8.128 ( 0.787 0.000 -0.425) 0.894 8.211 ( 1.602 0.000 -2.513) 2.980 8.212 ( 1.103 0.000 1.589) 1.934 8.273 ( -0.536 -0.000 -0.517) 0.745 8.364 ( 3.937 0.000 -2.790) 4.825 8.641 ( 1.132 0.000 -0.369) 1.190 8.760 ( 0.237 0.000 0.240) 0.337 11.701 ( -0.668 -0.000 -1.112) 1.297 11.784 ( 0.885 0.000 0.855) 1.231 11.818 ( 0.808 0.000 0.809) 1.144 11.903 ( -0.971 -0.000 -0.795) 1.255 15.098 ( 0.290 0.000 0.303) 0.420 15.116 ( -0.655 -0.000 -0.878) 1.095 15.360 ( -1.285 -0.000 3.059) 3.318 15.504 ( -0.454 -0.000 -0.150) 0.478 15.593 ( 0.095 0.000 -0.471) 0.481 15.855 ( 1.422 0.000 -0.167) 1.431 15.918 ( 1.056 0.000 0.296) 1.097 15.978 ( 1.001 0.000 -7.327) 7.395 16.050 ( 0.830 0.000 -2.322) 2.465 16.087 ( 2.827 0.000 0.763) 2.928 16.114 ( -1.720 -0.000 7.928) 8.113 16.510 ( -5.748 -0.000 0.336) 5.758 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 11.366 -8.237 -1.092) 14.079 0.986 ( -1.794 0.273 -0.481) 1.877 1.083 ( 16.037 -2.426 -1.678) 16.306 1.182 ( 5.480 -4.399 2.163) 7.352 1.584 ( -3.532 -2.187 2.462) 4.829 1.754 ( -6.521 0.136 0.061) 6.522 1.849 ( -0.013 2.781 -0.465) 2.820 1.973 ( 1.207 -0.231 3.153) 3.384 1.979 ( 15.719 -7.442 -0.284) 17.394 2.175 ( 8.865 -1.504 -5.612) 10.599 2.220 ( -5.283 -3.023 -0.960) 6.162 2.365 ( 0.571 3.463 3.018) 4.628 2.455 ( -2.150 2.304 -1.862) 3.660 2.477 ( -3.706 2.476 0.657) 4.505 2.578 ( -0.726 -2.934 2.738) 4.078 2.618 ( -1.860 3.497 -1.151) 4.125 2.791 ( -0.248 3.075 -2.880) 4.220 2.850 ( 2.698 -0.049 2.686) 3.807 2.941 ( -0.787 -5.123 0.758) 5.238 3.033 ( 1.487 1.751 -0.135) 2.302 3.072 ( 0.821 3.839 1.153) 4.092 3.135 ( 2.872 1.300 -1.894) 3.678 3.403 ( -3.526 -3.904 -1.392) 5.442 3.464 ( -3.775 -3.161 1.798) 5.242 3.541 ( -2.760 4.856 2.572) 6.149 3.771 ( -0.174 0.284 0.740) 0.811 3.802 ( 0.230 1.940 0.326) 1.981 3.897 ( -1.687 1.752 -0.120) 2.436 3.952 ( 0.489 -1.411 -0.737) 1.666 4.006 ( -3.392 -2.323 -0.332) 4.125 4.088 ( 1.270 1.007 1.444) 2.171 4.146 ( 1.147 -2.642 -2.108) 3.570 4.257 ( 2.641 -3.199 0.249) 4.155 4.335 ( 0.905 1.149 0.601) 1.582 4.365 ( 0.446 1.590 -0.682) 1.786 4.473 ( -2.827 1.163 -3.550) 4.684 4.602 ( 2.295 -6.053 4.064) 7.643 4.778 ( -2.421 0.695 -2.136) 3.303 4.886 ( 0.074 0.480 -2.051) 2.108 5.093 ( 3.428 1.579 0.863) 3.872 5.198 ( 5.455 0.699 -0.195) 5.503 5.248 ( 0.654 -1.613 -4.145) 4.496 5.373 ( 2.827 -1.226 1.834) 3.585 5.482 ( -3.333 -2.347 2.648) 4.861 5.638 ( -6.018 0.180 -0.660) 6.057 5.766 ( -3.338 2.002 -3.167) 5.018 5.795 ( -2.061 0.162 3.129) 3.750 5.899 ( -5.071 -2.263 -1.575) 5.772 6.028 ( -0.950 -0.266 0.180) 1.002 6.082 ( 0.728 -1.187 0.592) 1.513 6.214 ( 1.759 -1.035 1.706) 2.660 6.566 ( -0.682 5.666 -0.726) 5.753 6.760 ( -2.369 2.705 1.000) 3.732 6.884 ( -1.729 -5.050 0.612) 5.373 7.158 ( -1.430 0.490 -0.776) 1.699 7.256 ( 1.159 5.880 1.519) 6.183 7.406 ( 4.069 2.065 -1.143) 4.704 7.557 ( 4.850 -1.711 1.140) 5.268 7.625 ( -1.475 0.685 0.156) 1.634 7.867 ( -2.677 -2.370 4.720) 5.922 8.011 ( -3.010 0.158 -4.191) 5.162 8.089 ( 1.498 4.087 -0.562) 4.389 8.229 ( 1.233 -0.111 4.008) 4.195 8.265 ( 0.233 -2.187 -0.426) 2.241 8.268 ( 0.006 -2.134 -3.441) 4.048 8.402 ( 3.071 -1.009 -1.345) 3.501 8.616 ( 0.281 3.316 -0.384) 3.350 8.748 ( 0.222 1.492 0.241) 1.527 11.698 ( -0.434 -0.440 -0.727) 0.954 11.800 ( 0.869 -0.630 1.048) 1.500 11.815 ( 0.502 0.871 0.313) 1.053 11.894 ( -0.918 0.112 -0.762) 1.198 15.074 ( -0.389 0.020 -0.544) 0.669 15.201 ( -0.417 -6.483 0.062) 6.496 15.338 ( -0.943 1.564 1.556) 2.399 15.502 ( -0.375 -0.032 -0.237) 0.445 15.586 ( 0.263 0.740 -0.390) 0.877 15.779 ( 2.569 6.358 -0.400) 6.869 15.919 ( 0.487 0.736 0.200) 0.905 15.984 ( 0.415 1.355 -1.682) 2.199 16.074 ( -0.221 -2.371 0.052) 2.382 16.116 ( -0.523 -2.401 1.540) 2.900 16.178 ( 2.175 -3.930 0.230) 4.498 16.444 ( -5.518 1.650 0.274) 5.765 ======================= Grid point 18 (13/72) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -1.012 -0.090 -0.156) 1.028 1.045 ( 0.613 -1.201 0.339) 1.391 1.333 ( 12.638 -6.230 -0.961) 14.123 1.414 ( 10.995 -9.353 0.378) 14.440 1.584 ( -7.384 -3.889 3.951) 9.233 1.697 ( -9.739 -6.664 -1.858) 11.946 1.821 ( 3.291 1.442 0.690) 3.658 1.940 ( -1.322 0.132 -0.768) 1.534 2.050 ( -4.378 6.131 1.012) 7.601 2.242 ( 4.622 2.874 -3.204) 6.315 2.329 ( 3.715 -2.790 1.309) 4.827 2.344 ( 2.802 -0.557 -2.236) 3.628 2.398 ( -1.514 1.146 -0.393) 1.940 2.430 ( -2.242 -0.116 0.362) 2.274 2.490 ( -2.303 3.896 0.814) 4.599 2.633 ( 2.001 3.265 5.184) 6.445 2.692 ( -1.228 5.694 -4.994) 7.672 2.875 ( 4.927 1.080 1.684) 5.318 2.975 ( -3.868 -0.330 -0.732) 3.951 3.048 ( 0.403 -2.499 0.868) 2.676 3.078 ( 2.245 -3.837 -2.843) 5.276 3.195 ( 9.369 -2.938 1.922) 10.005 3.395 ( -8.789 -1.014 0.534) 8.864 3.416 ( -1.021 8.532 1.037) 8.655 3.503 ( -1.776 -4.074 -0.024) 4.444 3.722 ( -0.379 3.982 0.681) 4.058 3.811 ( 0.925 -2.775 -1.149) 3.142 3.869 ( -4.058 -2.233 1.065) 4.752 3.982 ( 1.445 -1.639 -2.486) 3.310 4.016 ( -1.724 -1.262 0.623) 2.225 4.098 ( 0.612 -0.079 1.765) 1.870 4.203 ( 1.706 -1.038 -0.675) 2.108 4.271 ( -1.386 0.493 0.405) 1.526 4.350 ( 1.314 0.169 -0.604) 1.456 4.388 ( 2.045 -2.321 -1.915) 3.638 4.438 ( -2.217 -1.005 0.252) 2.447 4.664 ( 2.077 2.359 1.942) 3.694 4.769 ( -1.361 -1.352 -0.850) 2.098 4.881 ( -0.109 -0.788 -1.236) 1.470 5.071 ( 1.424 3.237 0.966) 3.666 5.226 ( 4.749 1.720 0.197) 5.054 5.269 ( 0.022 -1.068 -2.085) 2.343 5.430 ( -3.884 0.929 1.021) 4.122 5.461 ( 2.226 -2.084 1.906) 3.596 5.602 ( -5.150 -2.069 -2.118) 5.940 5.752 ( 0.570 -1.784 -2.010) 2.747 5.806 ( 2.118 -0.942 2.120) 3.141 5.888 ( -5.311 -1.870 0.592) 5.662 6.014 ( -0.560 1.176 -0.071) 1.304 6.101 ( 0.308 -0.219 0.267) 0.463 6.276 ( 0.901 -4.339 0.257) 4.439 6.463 ( -0.382 4.755 -0.441) 4.791 6.702 ( -0.923 1.823 0.383) 2.078 6.964 ( -0.640 -4.480 0.392) 4.543 7.114 ( 2.641 6.181 -0.540) 6.743 7.164 ( -2.650 1.926 -0.057) 3.277 7.379 ( 0.072 2.359 0.172) 2.366 7.518 ( -1.117 1.393 0.549) 1.868 7.720 ( 7.644 -0.901 -1.117) 7.777 7.862 ( -6.204 -1.489 1.916) 6.662 7.994 ( 0.237 0.296 -1.667) 1.710 8.044 ( 1.245 1.419 0.277) 1.908 8.231 ( 0.528 1.290 2.226) 2.626 8.268 ( 0.357 -0.377 -0.593) 0.788 8.360 ( -0.156 -5.445 -0.451) 5.465 8.445 ( 2.173 -1.162 -1.076) 2.689 8.532 ( -1.653 4.590 -0.290) 4.887 8.712 ( 0.280 2.636 0.208) 2.659 11.707 ( -0.157 -0.859 -0.296) 0.922 11.793 ( 0.161 1.370 0.333) 1.419 11.830 ( 0.661 -1.353 0.543) 1.601 11.877 ( -0.652 0.923 -0.613) 1.286 15.088 ( -0.410 -1.976 -0.392) 2.056 15.288 ( 0.173 2.359 1.022) 2.576 15.325 ( -0.680 -6.021 -0.380) 6.071 15.493 ( -0.216 0.769 -0.299) 0.853 15.572 ( 0.271 0.990 -0.073) 1.029 15.702 ( 1.362 4.004 0.151) 4.232 15.906 ( -0.061 0.692 0.127) 0.706 15.956 ( 0.440 1.536 -0.464) 1.664 16.097 ( -1.004 -0.877 1.140) 1.754 16.185 ( 0.466 -4.078 0.103) 4.105 16.261 ( 2.962 -2.955 -1.502) 4.445 16.361 ( -4.487 2.285 0.748) 5.090 ======================= Grid point 19 (14/72) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 0.000 -1.204 -0.000) 1.204 1.060 ( 0.000 -0.293 -0.000) 0.293 1.463 ( 0.000 -5.450 -0.000) 5.450 1.470 ( -0.000 5.222 0.000) 5.222 1.690 ( -0.000 12.057 0.000) 12.057 1.750 ( 0.000 -7.728 -0.000) 7.728 1.913 ( 0.000 -4.279 -0.000) 4.279 1.913 ( 0.000 -12.173 -0.000) 12.173 2.010 ( 0.000 -5.584 -0.000) 5.584 2.189 ( -0.000 4.227 0.000) 4.227 2.256 ( -0.000 7.529 0.000) 7.529 2.331 ( -0.000 6.342 0.000) 6.342 2.382 ( 0.000 -0.266 -0.000) 0.266 2.409 ( 0.000 -0.675 -0.000) 0.675 2.501 ( 0.000 -2.567 -0.000) 2.567 2.567 ( -0.000 5.613 0.000) 5.613 2.585 ( -0.000 1.238 0.000) 1.238 2.832 ( -0.000 12.298 0.000) 12.298 2.904 ( 0.000 -0.084 -0.000) 0.084 3.135 ( -0.000 0.196 0.000) 0.196 3.174 ( 0.000 -9.170 -0.000) 9.170 3.203 ( -0.000 10.328 0.000) 10.328 3.292 ( -0.000 2.174 0.000) 2.174 3.438 ( 0.000 -9.768 -0.000) 9.768 3.574 ( 0.000 -4.261 -0.000) 4.261 3.675 ( -0.000 1.580 0.000) 1.580 3.865 ( 0.000 -2.991 -0.000) 2.991 3.871 ( -0.000 1.077 0.000) 1.077 4.038 ( 0.000 -2.971 -0.000) 2.971 4.040 ( 0.000 -3.139 -0.000) 3.139 4.091 ( -0.000 1.032 0.000) 1.032 4.218 ( -0.000 0.220 0.000) 0.220 4.252 ( -0.000 0.483 0.000) 0.483 4.339 ( -0.000 2.187 0.000) 2.187 4.415 ( 0.000 -0.739 -0.000) 0.739 4.491 ( 0.000 -4.030 -0.000) 4.030 4.635 ( -0.000 0.221 0.000) 0.221 4.738 ( -0.000 3.974 0.000) 3.974 4.902 ( 0.000 -0.875 -0.000) 0.875 5.011 ( -0.000 3.728 0.000) 3.728 5.195 ( -0.000 3.550 0.000) 3.550 5.277 ( -0.000 0.907 0.000) 0.907 5.404 ( 0.000 -1.821 -0.000) 1.821 5.505 ( 0.000 -1.332 -0.000) 1.332 5.656 ( 0.000 -5.642 -0.000) 5.642 5.784 ( 0.000 -1.382 -0.000) 1.382 5.844 ( 0.000 -0.337 -0.000) 0.337 5.894 ( 0.000 -1.860 -0.000) 1.860 5.978 ( -0.000 1.892 0.000) 1.892 6.118 ( 0.000 -1.932 -0.000) 1.932 6.369 ( 0.000 -4.736 -0.000) 4.736 6.381 ( -0.000 4.368 0.000) 4.368 6.689 ( 0.000 -1.108 -0.000) 1.108 6.988 ( -0.000 4.770 0.000) 4.770 7.053 ( 0.000 -2.790 -0.000) 2.790 7.126 ( -0.000 1.458 0.000) 1.458 7.360 ( 0.000 -0.908 -0.000) 0.908 7.507 ( 0.000 -0.390 -0.000) 0.390 7.726 ( -0.000 3.412 0.000) 3.412 7.844 ( -0.000 0.604 0.000) 0.604 7.985 ( -0.000 1.102 0.000) 1.102 8.070 ( 0.000 -3.128 -0.000) 3.128 8.202 ( -0.000 2.223 0.000) 2.223 8.277 ( 0.000 -0.305 -0.000) 0.305 8.380 ( -0.000 4.672 0.000) 4.672 8.480 ( 0.000 -0.766 -0.000) 0.766 8.502 ( 0.000 -4.731 -0.000) 4.731 8.661 ( -0.000 3.030 0.000) 3.030 11.725 ( 0.000 -1.154 -0.000) 1.154 11.769 ( -0.000 1.270 0.000) 1.270 11.848 ( -0.000 1.654 0.000) 1.654 11.863 ( 0.000 -1.619 -0.000) 1.619 15.134 ( 0.000 -3.170 -0.000) 3.170 15.232 ( -0.000 3.272 0.000) 3.272 15.426 ( 0.000 -4.679 -0.000) 4.679 15.467 ( -0.000 1.886 0.000) 1.886 15.556 ( -0.000 0.812 0.000) 0.812 15.653 ( -0.000 2.265 0.000) 2.265 15.897 ( -0.000 0.209 0.000) 0.209 15.946 ( 0.000 -0.392 -0.000) 0.392 16.097 ( -0.000 0.285 0.000) 0.285 16.241 ( 0.000 -1.269 -0.000) 1.269 16.278 ( -0.000 3.199 0.000) 3.199 16.363 ( 0.000 -5.762 -0.000) 5.762 ======================= Grid point 24 (15/72) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 12.369 0.000 -2.951) 12.716 0.974 ( -1.202 -0.000 -0.226) 1.223 1.099 ( -4.497 -0.000 1.288) 4.678 1.240 ( 13.395 0.000 -0.059) 13.395 1.534 ( -3.402 -0.000 1.115) 3.580 1.731 ( -8.992 -0.000 0.336) 8.998 1.875 ( 1.238 0.000 -0.513) 1.341 2.007 ( -0.888 -0.000 3.148) 3.271 2.057 ( 16.246 0.000 1.471) 16.312 2.137 ( 5.462 0.000 -0.871) 5.531 2.250 ( 10.187 0.000 -8.289) 13.133 2.397 ( -3.577 -0.000 6.910) 7.781 2.421 ( -9.161 -0.000 0.641) 9.183 2.492 ( -1.972 -0.000 -3.006) 3.595 2.518 ( -1.562 -0.000 1.569) 2.214 2.603 ( -4.475 -0.000 -1.661) 4.773 2.834 ( -0.384 -0.000 -0.177) 0.423 2.842 ( 0.386 0.000 0.811) 0.898 2.896 ( 3.035 0.000 0.899) 3.166 3.075 ( -0.280 -0.000 0.117) 0.303 3.137 ( -0.758 -0.000 -0.877) 1.159 3.148 ( 4.008 0.000 2.857) 4.922 3.297 ( -6.210 -0.000 -3.579) 7.167 3.415 ( -1.129 -0.000 0.814) 1.392 3.599 ( -0.565 -0.000 1.362) 1.475 3.790 ( 0.328 0.000 0.663) 0.740 3.840 ( 3.048 0.000 1.653) 3.467 3.881 ( -0.918 -0.000 0.546) 1.069 3.928 ( -0.230 -0.000 -1.325) 1.345 3.948 ( -5.159 -0.000 -2.057) 5.554 4.120 ( 2.184 0.000 0.503) 2.241 4.172 ( 0.887 0.000 -0.316) 0.942 4.200 ( 1.683 0.000 -0.267) 1.704 4.351 ( -0.487 -0.000 0.335) 0.591 4.414 ( -1.714 -0.000 1.508) 2.283 4.483 ( 3.045 0.000 1.623) 3.450 4.494 ( -1.315 -0.000 -2.352) 2.695 4.771 ( -1.543 -0.000 -1.918) 2.462 4.892 ( 0.198 0.000 -1.076) 1.094 5.136 ( 1.976 0.000 0.418) 2.020 5.215 ( -0.468 -0.000 -2.072) 2.124 5.273 ( 6.531 0.000 0.115) 6.532 5.412 ( 6.024 0.000 1.159) 6.135 5.433 ( -2.644 -0.000 1.757) 3.175 5.569 ( -8.318 -0.000 -0.511) 8.334 5.735 ( -5.228 -0.000 -2.295) 5.710 5.799 ( 0.116 0.000 5.560) 5.561 5.839 ( -2.051 -0.000 -4.996) 5.401 6.019 ( -0.298 -0.000 0.578) 0.650 6.071 ( 0.228 0.000 -0.257) 0.343 6.224 ( 0.934 0.000 1.415) 1.696 6.633 ( -0.173 -0.000 -0.321) 0.365 6.771 ( -1.502 -0.000 0.647) 1.635 6.808 ( -0.935 -0.000 0.141) 0.945 7.139 ( -1.302 -0.000 0.192) 1.316 7.340 ( 0.664 0.000 0.909) 1.126 7.477 ( 5.806 0.000 -2.876) 6.479 7.588 ( -6.883 -0.000 3.186) 7.584 7.607 ( 9.972 0.000 -0.491) 9.984 7.799 ( -6.678 -0.000 3.036) 7.336 7.989 ( -1.027 -0.000 -1.924) 2.181 8.143 ( 0.754 0.000 -1.246) 1.456 8.231 ( 1.038 0.000 -1.542) 1.859 8.232 ( 0.505 0.000 0.998) 1.119 8.261 ( -0.666 -0.000 0.312) 0.736 8.410 ( 1.433 0.000 -0.534) 1.530 8.656 ( 0.478 0.000 -0.158) 0.503 8.762 ( 0.047 0.000 0.085) 0.097 11.690 ( -0.237 -0.000 -0.407) 0.471 11.800 ( 0.538 0.000 0.519) 0.748 11.830 ( 0.297 0.000 0.298) 0.420 11.886 ( -0.573 -0.000 -0.492) 0.755 15.103 ( 0.162 0.000 0.143) 0.216 15.105 ( -0.294 -0.000 -0.376) 0.477 15.347 ( -0.563 -0.000 0.878) 1.043 15.498 ( -0.176 -0.000 -0.067) 0.189 15.593 ( 0.056 0.000 -0.197) 0.205 15.874 ( 0.589 0.000 -0.045) 0.591 15.934 ( 0.498 0.000 0.101) 0.509 15.978 ( 0.335 0.000 -2.126) 2.153 16.057 ( 0.432 0.000 -1.301) 1.370 16.105 ( -0.753 -0.000 2.964) 3.058 16.138 ( 2.028 0.000 0.373) 2.062 16.420 ( -3.338 -0.000 0.095) 3.339 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -0.000 0.407 0.000) 0.407 1.044 ( -0.000 0.385 0.000) 0.385 1.155 ( 0.000 -12.122 -0.000) 12.122 1.407 ( 0.000 -9.691 -0.000) 9.691 1.526 ( 0.000 -0.952 -0.000) 0.952 1.578 ( -0.000 8.314 0.000) 8.314 1.869 ( -0.000 1.517 0.000) 1.517 1.960 ( -0.000 2.737 0.000) 2.737 2.102 ( -0.000 0.444 0.000) 0.444 2.326 ( 0.000 -2.212 -0.000) 2.212 2.329 ( -0.000 1.290 0.000) 1.290 2.341 ( 0.000 -4.352 -0.000) 4.352 2.365 ( 0.000 -0.103 -0.000) 0.103 2.415 ( -0.000 2.647 0.000) 2.647 2.513 ( -0.000 1.117 0.000) 1.117 2.628 ( 0.000 -3.443 -0.000) 3.443 2.781 ( -0.000 4.112 0.000) 4.112 2.903 ( 0.000 -3.825 -0.000) 3.825 2.918 ( 0.000 -0.162 -0.000) 0.162 3.046 ( -0.000 0.444 0.000) 0.444 3.080 ( -0.000 4.214 0.000) 4.214 3.191 ( 0.000 -1.843 -0.000) 1.843 3.318 ( 0.000 -3.427 -0.000) 3.427 3.432 ( 0.000 -2.455 -0.000) 2.455 3.527 ( -0.000 5.544 0.000) 5.544 3.781 ( -0.000 1.356 0.000) 1.356 3.824 ( -0.000 1.793 0.000) 1.793 3.849 ( -0.000 3.010 0.000) 3.010 3.957 ( 0.000 -1.485 -0.000) 1.485 3.967 ( 0.000 -3.679 -0.000) 3.679 4.100 ( -0.000 2.060 0.000) 2.060 4.166 ( 0.000 -3.336 -0.000) 3.336 4.280 ( 0.000 -1.780 -0.000) 1.780 4.338 ( -0.000 0.190 0.000) 0.190 4.388 ( -0.000 0.541 0.000) 0.541 4.428 ( -0.000 1.759 0.000) 1.759 4.645 ( 0.000 -8.971 -0.000) 8.971 4.737 ( -0.000 2.690 0.000) 2.690 4.884 ( -0.000 0.737 0.000) 0.737 5.128 ( -0.000 1.850 0.000) 1.850 5.228 ( 0.000 -1.682 -0.000) 1.682 5.293 ( -0.000 1.568 0.000) 1.568 5.420 ( -0.000 0.127 0.000) 0.127 5.471 ( 0.000 -0.945 -0.000) 0.945 5.519 ( 0.000 -1.253 -0.000) 1.253 5.723 ( 0.000 -1.431 -0.000) 1.431 5.818 ( 0.000 -1.251 -0.000) 1.251 5.821 ( -0.000 0.026 0.000) 0.026 6.020 ( 0.000 -0.016 -0.000) 0.016 6.090 ( 0.000 -1.419 -0.000) 1.419 6.233 ( 0.000 -0.888 -0.000) 0.888 6.560 ( -0.000 5.780 0.000) 5.780 6.740 ( -0.000 2.346 0.000) 2.346 6.870 ( 0.000 -5.206 -0.000) 5.206 7.140 ( 0.000 -0.574 -0.000) 0.574 7.271 ( -0.000 6.803 0.000) 6.803 7.462 ( -0.000 5.081 0.000) 5.081 7.530 ( -0.000 0.914 0.000) 0.914 7.728 ( 0.000 -5.233 -0.000) 5.233 7.773 ( 0.000 -1.111 -0.000) 1.111 7.989 ( 0.000 -0.468 -0.000) 0.468 8.102 ( -0.000 3.566 0.000) 3.566 8.251 ( -0.000 0.355 0.000) 0.355 8.255 ( 0.000 -1.272 -0.000) 1.272 8.270 ( 0.000 -3.487 -0.000) 3.487 8.427 ( 0.000 -1.210 -0.000) 1.210 8.618 ( -0.000 4.124 0.000) 4.124 8.750 ( -0.000 1.373 0.000) 1.373 11.693 ( 0.000 -0.482 -0.000) 0.482 11.812 ( 0.000 -0.927 -0.000) 0.927 11.819 ( -0.000 1.199 0.000) 1.199 11.883 ( -0.000 0.129 0.000) 0.129 15.069 ( -0.000 0.269 0.000) 0.269 15.198 ( 0.000 -6.462 -0.000) 6.462 15.331 ( -0.000 1.580 0.000) 1.580 15.498 ( -0.000 0.012 0.000) 0.012 15.588 ( -0.000 0.591 0.000) 0.591 15.802 ( -0.000 5.813 0.000) 5.813 15.924 ( -0.000 1.096 0.000) 1.096 15.986 ( -0.000 0.907 0.000) 0.907 16.073 ( 0.000 -1.256 -0.000) 1.256 16.113 ( 0.000 -2.838 -0.000) 2.838 16.206 ( 0.000 -4.230 -0.000) 4.230 16.385 ( -0.000 2.036 0.000) 2.036 ======================= Grid point 51 (17/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 2.983 0.000 21.577) 21.782 0.450 ( -2.545 -0.000 23.852) 23.987 0.833 ( -7.445 -0.000 32.363) 33.208 1.086 ( -0.621 -0.000 -0.020) 0.622 1.297 ( -1.500 -0.000 15.618) 15.690 1.485 ( 2.429 0.000 -6.936) 7.349 1.535 ( 2.293 0.000 -13.315) 13.512 2.050 ( -0.351 -0.000 -0.560) 0.661 2.131 ( -1.476 -0.000 1.950) 2.445 2.255 ( -1.215 -0.000 2.466) 2.749 2.415 ( 2.390 0.000 4.203) 4.835 2.419 ( 0.518 0.000 -1.602) 1.684 2.485 ( -0.608 -0.000 1.398) 1.524 2.532 ( -1.285 -0.000 5.287) 5.441 2.567 ( -3.428 -0.000 1.118) 3.606 2.696 ( 3.032 0.000 -3.164) 4.382 2.778 ( -1.980 -0.000 0.389) 2.018 2.839 ( -0.096 -0.000 3.853) 3.854 2.854 ( 0.034 0.000 -1.015) 1.016 2.985 ( -2.032 -0.000 0.951) 2.243 3.049 ( -0.275 -0.000 -1.160) 1.192 3.162 ( 0.066 0.000 -4.884) 4.884 3.376 ( 3.583 0.000 -3.376) 4.923 3.452 ( 3.785 0.000 -19.572) 19.934 3.509 ( -1.371 -0.000 8.394) 8.505 3.801 ( 0.707 0.000 3.140) 3.219 3.814 ( -0.512 -0.000 -0.500) 0.716 3.935 ( 0.983 0.000 3.114) 3.265 3.968 ( 0.473 0.000 -2.326) 2.373 4.001 ( -5.218 -0.000 1.073) 5.327 4.012 ( 1.437 0.000 -0.567) 1.545 4.186 ( -0.118 -0.000 1.906) 1.909 4.215 ( -0.293 -0.000 -3.896) 3.907 4.340 ( 1.118 0.000 -3.484) 3.659 4.404 ( 1.887 0.000 -10.812) 10.976 4.548 ( 11.376 0.000 2.017) 11.554 4.595 ( -1.082 -0.000 -0.696) 1.286 4.694 ( -4.328 -0.000 6.424) 7.745 4.792 ( -0.886 -0.000 -7.443) 7.496 4.971 ( -0.965 -0.000 -2.226) 2.426 5.083 ( -5.432 -0.000 -1.326) 5.591 5.155 ( -0.941 -0.000 -0.194) 0.961 5.499 ( -1.745 -0.000 5.087) 5.378 5.518 ( -0.699 -0.000 6.651) 6.688 5.793 ( 4.193 0.000 2.837) 5.062 5.915 ( -3.534 -0.000 3.702) 5.118 5.916 ( 0.008 0.000 -4.592) 4.592 6.022 ( -1.288 -0.000 -1.393) 1.897 6.109 ( -2.024 -0.000 -2.276) 3.046 6.139 ( 2.670 0.000 7.924) 8.362 6.297 ( -2.451 -0.000 -2.658) 3.615 6.585 ( 1.459 0.000 -5.538) 5.727 7.016 ( 7.753 0.000 -0.233) 7.757 7.019 ( -0.559 -0.000 1.565) 1.662 7.069 ( 4.819 0.000 1.132) 4.950 7.091 ( 2.369 0.000 -2.114) 3.175 7.317 ( -0.385 -0.000 1.064) 1.131 7.363 ( -1.683 -0.000 -0.168) 1.691 7.651 ( -1.310 -0.000 1.478) 1.974 7.755 ( 1.252 0.000 2.700) 2.976 7.913 ( -1.516 -0.000 -0.460) 1.584 7.962 ( -0.115 -0.000 -8.322) 8.322 8.234 ( -0.029 -0.000 4.658) 4.658 8.301 ( -1.614 -0.000 6.294) 6.497 8.307 ( -0.809 -0.000 1.792) 1.966 8.587 ( 0.067 0.000 -2.625) 2.626 8.715 ( -7.411 -0.000 -2.373) 7.782 8.725 ( 0.671 0.000 -2.328) 2.423 11.714 ( -1.062 -0.000 -0.487) 1.168 11.752 ( 0.700 0.000 -0.985) 1.208 11.817 ( 0.502 0.000 2.581) 2.629 11.922 ( -0.445 -0.000 -0.488) 0.660 15.100 ( 0.274 0.000 0.846) 0.889 15.133 ( -0.796 -0.000 -0.160) 0.812 15.476 ( 7.786 0.000 -0.832) 7.831 15.509 ( -0.027 -0.000 -0.878) 0.879 15.629 ( 0.968 0.000 3.051) 3.201 15.676 ( -7.105 -0.000 1.987) 7.377 15.791 ( 0.346 0.000 -2.397) 2.422 15.876 ( 0.210 0.000 -1.950) 1.961 16.028 ( 0.790 0.000 0.014) 0.791 16.035 ( -0.953 -0.000 -0.040) 0.953 16.660 ( 0.172 0.000 2.186) 2.192 16.813 ( -5.302 -0.000 -1.641) 5.550 ======================= Grid point 52 (18/72) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 2.635 -12.508 15.954) 20.444 0.718 ( 11.469 -17.061 12.840) 24.238 1.052 ( 0.038 -5.007 2.519) 5.605 1.078 ( 1.249 -7.763 4.804) 9.214 1.366 ( 1.589 -9.166 22.413) 24.267 1.489 ( 2.240 -1.011 -9.561) 9.871 1.663 ( 7.919 -7.736 -7.906) 13.604 2.034 ( -2.133 0.685 -1.042) 2.471 2.085 ( -5.132 -1.234 4.641) 7.029 2.236 ( -4.418 2.680 0.128) 5.169 2.292 ( 0.894 6.563 1.454) 6.782 2.423 ( 0.990 6.625 -1.599) 6.887 2.452 ( -1.586 -0.864 1.671) 2.461 2.504 ( -1.270 3.229 -0.133) 3.472 2.579 ( -0.419 0.616 4.447) 4.509 2.630 ( 2.158 5.488 -0.218) 5.901 2.753 ( 1.190 1.002 1.355) 2.062 2.894 ( -0.944 -4.043 -0.329) 4.164 2.936 ( 2.182 5.945 -1.708) 6.559 2.967 ( 0.199 -7.575 0.590) 7.600 3.013 ( -0.456 3.321 0.536) 3.395 3.102 ( -1.606 1.838 -0.084) 2.442 3.454 ( 3.189 -0.795 -13.818) 14.204 3.483 ( 2.501 -4.654 -1.676) 5.543 3.551 ( -0.128 -3.715 5.784) 6.875 3.806 ( 1.300 -0.643 4.403) 4.635 3.847 ( 0.321 -1.723 1.331) 2.200 3.965 ( 1.496 -0.152 -1.251) 1.956 3.969 ( 0.354 2.518 -0.243) 2.555 3.985 ( -0.974 -4.835 -0.195) 4.936 4.058 ( -0.564 -3.420 -1.091) 3.634 4.151 ( -2.985 1.747 -1.756) 3.879 4.211 ( -1.958 -0.574 0.117) 2.044 4.333 ( 0.358 0.659 -5.333) 5.385 4.395 ( 2.260 0.608 -1.489) 2.774 4.442 ( -3.712 5.794 1.122) 6.972 4.648 ( 0.937 -0.133 5.078) 5.165 4.751 ( 0.581 -1.098 -8.482) 8.572 4.790 ( 0.751 -2.302 -4.456) 5.071 4.956 ( 2.019 -0.011 -3.443) 3.991 5.029 ( 0.232 0.264 1.075) 1.131 5.199 ( -2.594 -2.467 -4.618) 5.843 5.473 ( -3.052 0.544 5.773) 6.552 5.556 ( 0.981 -2.382 4.521) 5.204 5.792 ( 1.552 2.808 -0.433) 3.238 5.867 ( -3.271 1.079 2.301) 4.143 5.933 ( -3.015 1.216 -1.516) 3.587 5.989 ( -1.070 -0.856 0.029) 1.370 6.067 ( -0.585 0.797 0.878) 1.322 6.161 ( 1.529 0.665 3.525) 3.900 6.219 ( -3.219 1.370 4.691) 5.851 6.541 ( 0.169 4.460 -5.812) 7.328 6.939 ( -5.674 3.961 1.828) 7.157 6.985 ( -0.363 0.939 0.755) 1.259 7.122 ( 3.362 1.824 -1.532) 4.121 7.134 ( 5.332 2.443 -0.529) 5.889 7.382 ( 0.047 -3.722 -2.396) 4.427 7.421 ( -1.533 -5.031 -3.587) 6.366 7.611 ( 2.188 3.572 -2.068) 4.672 7.831 ( 1.503 -2.075 2.490) 3.573 7.876 ( 8.853 1.798 -1.913) 9.234 7.989 ( -1.304 -2.069 -6.243) 6.705 8.279 ( -0.308 -2.510 3.219) 4.094 8.291 ( -2.016 0.062 5.902) 6.237 8.317 ( -0.265 -2.398 3.419) 4.185 8.492 ( -6.730 6.861 9.671) 13.634 8.586 ( 0.461 0.978 -1.877) 2.166 8.719 ( 0.389 1.696 -1.794) 2.499 11.710 ( -0.869 -0.493 -0.441) 1.092 11.766 ( 0.985 -0.766 -0.730) 1.446 11.817 ( 0.520 0.781 2.516) 2.685 11.914 ( -0.716 0.455 -1.177) 1.451 15.096 ( -0.637 -0.962 0.840) 1.427 15.220 ( -0.633 -6.528 -2.538) 7.033 15.440 ( 2.663 6.543 0.923) 7.124 15.512 ( -0.629 0.359 -1.211) 1.411 15.585 ( -2.866 0.806 4.347) 5.269 15.655 ( 2.427 1.151 3.609) 4.499 15.866 ( 0.985 -1.307 -4.525) 4.812 15.895 ( 0.868 -3.090 -5.030) 5.966 16.045 ( 0.099 -2.303 -0.633) 2.391 16.059 ( 1.394 -1.993 0.119) 2.435 16.480 ( -6.862 9.991 11.541) 16.736 16.682 ( -6.069 3.371 0.605) 6.969 ======================= Grid point 53 (19/72) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 5.249 -13.317 5.143) 15.211 1.027 ( -1.157 0.539 -0.560) 1.394 1.085 ( -1.000 -13.996 7.231) 15.785 1.245 ( 3.969 -7.914 6.077) 10.739 1.530 ( 1.911 -3.203 -8.209) 9.017 1.702 ( 8.845 -9.717 5.600) 14.283 1.871 ( 9.156 -5.822 -4.799) 11.864 1.995 ( -1.725 -0.604 -4.868) 5.200 2.106 ( -5.214 -1.871 4.708) 7.270 2.116 ( -7.320 1.974 4.270) 8.701 2.225 ( 0.854 -1.077 -1.261) 1.865 2.315 ( 0.720 4.897 -1.446) 5.156 2.405 ( -1.367 5.969 -2.544) 6.631 2.475 ( -0.052 -1.947 2.452) 3.131 2.529 ( 1.845 4.625 2.158) 5.427 2.551 ( 0.844 3.976 3.806) 5.569 2.732 ( 3.244 5.871 0.550) 6.730 2.806 ( -2.341 4.796 -0.801) 5.397 2.888 ( 0.729 6.145 -3.298) 7.012 3.001 ( 3.127 -5.294 1.690) 6.376 3.095 ( 0.485 -4.715 0.690) 4.790 3.142 ( -3.372 -5.793 8.444) 10.781 3.453 ( 1.217 1.738 -5.551) 5.943 3.552 ( -1.399 -1.578 2.166) 3.023 3.627 ( -0.183 -3.130 2.935) 4.295 3.820 ( -2.384 5.788 5.053) 8.045 3.864 ( 1.809 -2.226 2.391) 3.734 3.927 ( 0.185 -1.461 -0.324) 1.508 3.999 ( 2.497 -1.141 -3.228) 4.238 4.054 ( -1.075 -3.071 -1.221) 3.476 4.097 ( -1.980 0.418 -2.228) 3.010 4.128 ( -1.101 -3.356 -1.556) 3.859 4.207 ( 0.331 -0.092 -0.385) 0.516 4.300 ( -1.882 2.965 -0.934) 3.634 4.348 ( -1.188 -0.991 -2.257) 2.736 4.440 ( 1.064 -3.049 -1.374) 3.509 4.653 ( 0.839 0.929 3.998) 4.190 4.721 ( 1.071 2.432 -8.149) 8.571 4.831 ( 0.068 -1.285 -2.919) 3.190 4.966 ( 2.602 0.857 -4.259) 5.064 5.074 ( 2.751 -2.391 -0.267) 3.655 5.198 ( -0.808 -0.669 -3.897) 4.036 5.460 ( -1.721 -0.998 4.486) 4.907 5.609 ( 2.104 -0.988 2.176) 3.183 5.715 ( -4.758 3.446 -1.602) 6.089 5.803 ( -4.552 2.766 -1.735) 5.602 5.886 ( -1.213 -0.540 3.787) 4.014 6.009 ( 0.120 -0.196 -0.867) 0.897 6.036 ( 0.368 3.081 4.029) 5.085 6.180 ( -2.134 2.001 3.217) 4.348 6.206 ( 1.816 -3.974 -0.832) 4.448 6.448 ( -0.671 3.706 -5.072) 6.318 6.827 ( -4.564 2.851 2.446) 5.911 6.962 ( 1.798 3.048 1.433) 3.818 7.077 ( -2.373 1.276 -2.500) 3.676 7.156 ( 4.959 0.999 0.229) 5.064 7.433 ( 1.668 -0.262 -5.410) 5.667 7.451 ( -1.045 -1.014 -1.242) 1.914 7.560 ( -1.409 0.708 -1.602) 2.248 7.849 ( 4.643 1.490 -1.028) 4.983 7.953 ( 3.180 -0.580 2.109) 3.859 8.019 ( 0.548 -3.011 -5.058) 5.912 8.273 ( -2.103 0.416 3.888) 4.440 8.289 ( -1.369 0.018 3.829) 4.066 8.390 ( 1.962 -0.763 7.375) 7.670 8.424 ( -2.815 -3.654 4.053) 6.141 8.566 ( -0.484 0.973 -2.151) 2.410 8.677 ( 0.866 3.139 -1.681) 3.665 11.715 ( -0.711 -0.887 -0.169) 1.149 11.794 ( 1.233 -0.949 -0.323) 1.589 11.806 ( 0.303 0.901 1.995) 2.210 11.891 ( -0.776 1.138 -1.504) 2.039 15.122 ( -1.012 -2.410 1.134) 2.850 15.324 ( -0.034 -5.568 -2.545) 6.123 15.343 ( 0.512 5.404 3.283) 6.344 15.495 ( -0.688 0.807 -1.802) 2.091 15.570 ( -0.210 0.324 3.685) 3.705 15.655 ( 1.048 0.964 3.199) 3.502 15.867 ( 0.640 0.445 -3.619) 3.702 15.920 ( -0.195 -0.083 -4.090) 4.095 16.109 ( 2.892 -1.676 -0.773) 3.431 16.124 ( 0.573 -4.608 -2.196) 5.137 16.321 ( -4.368 4.014 8.516) 10.378 16.556 ( -4.330 4.997 -0.348) 6.621 ======================= Grid point 54 (20/72) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -0.391 0.167 0.351) 0.552 1.063 ( 0.919 -0.897 -0.643) 1.436 1.322 ( -0.006 -11.716 4.901) 12.699 1.452 ( 1.804 -6.269 7.611) 10.024 1.560 ( 0.666 1.787 -2.286) 2.977 1.793 ( 2.850 0.411 -4.042) 4.963 1.918 ( -1.760 4.419 -0.925) 4.846 2.015 ( -2.276 0.404 -0.957) 2.501 2.063 ( 2.178 -1.297 -1.446) 2.919 2.119 ( 0.052 -5.615 -5.125) 7.602 2.251 ( 0.167 1.152 -7.185) 7.279 2.291 ( 2.001 3.389 -2.438) 4.630 2.335 ( 1.689 1.011 3.842) 4.317 2.477 ( -0.095 2.021 2.235) 3.015 2.495 ( -1.966 -2.368 3.510) 4.668 2.544 ( 0.766 -1.020 6.064) 6.196 2.629 ( -0.420 4.039 -1.360) 4.283 2.749 ( -1.442 1.087 -2.373) 2.982 2.875 ( 7.169 -2.706 -4.034) 8.660 3.090 ( -4.598 -0.317 4.105) 6.172 3.154 ( 2.131 -0.980 1.468) 2.767 3.243 ( -0.816 -6.793 9.694) 11.865 3.383 ( -2.215 4.580 2.767) 5.791 3.514 ( -0.941 4.074 3.882) 5.706 3.659 ( -1.773 -1.019 4.415) 4.865 3.716 ( -1.006 2.040 2.955) 3.729 3.918 ( 0.988 -1.435 -0.758) 1.900 3.958 ( -1.658 -2.090 0.251) 2.680 4.013 ( -1.007 2.982 -2.489) 4.013 4.053 ( 2.947 0.626 -3.694) 4.766 4.083 ( 0.399 -0.252 1.574) 1.643 4.156 ( -2.752 -1.737 1.906) 3.771 4.228 ( 1.251 -1.597 -2.092) 2.914 4.271 ( 0.591 -0.826 -4.253) 4.372 4.381 ( -0.348 -1.764 -2.502) 3.081 4.511 ( 0.871 -3.047 2.382) 3.964 4.646 ( 0.420 0.796 0.344) 0.964 4.667 ( 1.122 2.931 -6.835) 7.521 4.843 ( -0.323 -1.277 -4.041) 4.250 4.965 ( 1.875 1.400 -2.956) 3.770 5.125 ( 0.961 -1.042 0.576) 1.530 5.222 ( 1.213 -2.041 -2.629) 3.542 5.483 ( 0.566 -0.441 3.498) 3.571 5.588 ( -2.522 2.354 -2.217) 4.101 5.625 ( -1.948 1.979 0.431) 2.810 5.757 ( -2.006 -1.983 -1.174) 3.055 5.903 ( -1.823 -1.569 3.971) 4.643 5.949 ( 1.781 4.760 2.264) 5.563 6.048 ( 0.726 -0.682 1.749) 2.013 6.106 ( -1.433 2.881 -1.352) 3.490 6.303 ( 1.698 -4.397 -2.421) 5.299 6.387 ( -1.081 2.383 -2.773) 3.813 6.770 ( -2.115 0.572 3.414) 4.057 6.914 ( 1.434 3.110 0.860) 3.531 7.047 ( -1.494 -0.174 -3.283) 3.611 7.185 ( 1.696 -0.648 1.310) 2.239 7.404 ( 2.496 2.744 -5.304) 6.472 7.462 ( -1.903 -1.620 -1.581) 2.958 7.568 ( 0.386 -0.933 -0.856) 1.323 7.865 ( 2.125 0.078 -2.372) 3.185 7.949 ( -1.158 1.447 -0.976) 2.095 8.078 ( 1.986 -2.042 3.162) 4.255 8.244 ( -1.526 1.593 1.871) 2.892 8.287 ( -0.579 -0.708 3.396) 3.517 8.416 ( 0.742 -0.250 5.053) 5.113 8.487 ( -0.986 -2.154 2.277) 3.286 8.551 ( -1.586 -1.739 -2.001) 3.089 8.626 ( 1.593 3.168 -0.811) 3.638 11.728 ( -0.337 -1.048 0.328) 1.149 11.785 ( 0.074 1.195 1.501) 1.920 11.827 ( 0.893 -0.521 -0.361) 1.095 11.863 ( -0.561 0.451 -1.556) 1.715 15.165 ( -1.053 -3.093 1.315) 3.522 15.261 ( 0.291 4.337 2.793) 5.166 15.416 ( 0.514 -4.309 -1.253) 4.517 15.463 ( -0.636 1.745 -2.141) 2.834 15.570 ( 0.146 0.235 3.574) 3.585 15.649 ( 0.120 0.650 2.811) 2.888 15.862 ( 0.729 0.149 -3.756) 3.829 15.909 ( -0.180 0.269 -2.931) 2.949 16.144 ( 2.436 0.695 -0.293) 2.550 16.183 ( -1.952 -1.138 -1.402) 2.659 16.284 ( 0.178 -2.342 3.907) 4.559 16.441 ( -2.522 3.770 -0.184) 4.539 ======================= Grid point 55 (21/72) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.204 -0.463 0.658) 0.831 1.050 ( -0.579 2.142 -1.295) 2.569 1.278 ( -1.422 16.267 2.375) 16.501 1.464 ( -2.014 5.501 6.404) 8.679 1.588 ( -0.196 -5.785 0.249) 5.794 1.824 ( 3.999 -0.243 -3.079) 5.053 1.855 ( -0.836 0.669 -1.157) 1.576 1.975 ( -1.007 2.523 -1.025) 2.903 2.060 ( -6.092 0.612 -2.056) 6.458 2.150 ( 1.027 0.735 -3.118) 3.364 2.251 ( 4.773 1.401 -5.112) 7.133 2.312 ( 3.754 -5.493 -7.127) 9.750 2.408 ( 0.076 -5.012 4.116) 6.486 2.432 ( -3.821 -1.291 3.261) 5.186 2.523 ( 0.106 -0.345 2.631) 2.656 2.577 ( -2.716 -1.848 4.333) 5.438 2.607 ( 0.760 -0.355 1.861) 2.041 2.703 ( -3.175 2.539 -0.984) 4.182 2.919 ( -6.268 4.396 -0.890) 7.707 3.020 ( 3.196 -2.607 -2.736) 4.949 3.115 ( -1.267 4.276 5.054) 6.741 3.332 ( -1.179 1.505 8.003) 8.228 3.396 ( 3.564 -4.213 2.936) 6.250 3.454 ( 1.043 1.269 2.912) 3.343 3.666 ( 0.611 0.915 4.871) 4.994 3.699 ( -0.855 -0.956 2.241) 2.582 3.909 ( -4.220 1.278 -2.012) 4.847 3.945 ( 0.131 1.238 -0.639) 1.400 3.990 ( 2.669 -1.527 -1.492) 3.418 4.057 ( 2.849 2.521 -0.584) 3.849 4.114 ( 2.251 -1.089 -0.672) 2.590 4.174 ( -1.228 -1.692 2.602) 3.337 4.243 ( -1.158 0.498 -3.248) 3.484 4.294 ( 0.110 -1.598 -0.979) 1.878 4.364 ( -0.558 2.531 -2.620) 3.685 4.547 ( 1.470 0.944 0.511) 1.820 4.597 ( 1.161 2.586 -0.965) 2.994 4.686 ( -1.543 -3.951 -4.787) 6.396 4.870 ( -0.709 -2.711 -4.174) 5.027 4.932 ( 0.084 2.652 -2.741) 3.815 5.129 ( -0.656 0.945 0.397) 1.217 5.257 ( 0.076 -0.798 -2.261) 2.399 5.461 ( -0.331 0.586 2.358) 2.452 5.573 ( -3.069 -0.384 -1.473) 3.426 5.619 ( 5.968 -0.600 -0.872) 6.061 5.796 ( -0.310 -2.770 1.089) 2.992 5.891 ( 0.567 1.003 5.389) 5.511 5.947 ( 1.203 -1.872 -1.094) 2.480 5.998 ( -0.493 3.453 1.682) 3.872 6.126 ( 0.826 -2.548 -1.052) 2.878 6.306 ( -1.717 4.439 -1.354) 4.949 6.389 ( 1.627 -3.458 -3.368) 5.094 6.770 ( 1.343 -0.359 4.035) 4.268 6.901 ( -0.933 -1.305 -0.215) 1.619 7.043 ( 0.416 -0.493 -3.063) 3.130 7.206 ( -1.806 -1.297 1.824) 2.876 7.402 ( 3.089 -0.523 -5.787) 6.580 7.465 ( -1.374 -0.380 -1.177) 1.849 7.582 ( 1.800 0.269 -0.621) 1.923 7.855 ( -3.378 0.608 -3.011) 4.566 7.899 ( -0.519 2.275 -1.800) 2.947 8.145 ( 3.509 -2.059 6.250) 7.458 8.195 ( -2.203 1.868 1.232) 3.140 8.307 ( -0.044 -1.002 2.769) 2.945 8.402 ( -1.451 1.948 3.303) 4.100 8.486 ( -0.851 0.621 1.978) 2.241 8.589 ( -0.049 -0.708 -1.266) 1.451 8.609 ( 0.520 -1.978 -0.181) 2.053 11.745 ( 0.423 -0.461 1.052) 1.224 11.768 ( -0.620 0.377 0.655) 0.978 11.811 ( -0.266 1.463 -1.033) 1.811 11.880 ( 0.423 -1.537 -0.749) 1.761 15.192 ( -0.328 2.604 1.616) 3.082 15.222 ( -0.150 -2.527 2.115) 3.299 15.411 ( -0.051 3.225 -1.604) 3.602 15.484 ( 0.401 -2.589 -1.234) 2.896 15.573 ( -0.234 -0.261 3.637) 3.654 15.643 ( -0.694 0.031 2.477) 2.573 15.867 ( 0.669 -0.333 -3.746) 3.820 15.909 ( 0.770 -0.487 -3.251) 3.377 16.123 ( -0.197 2.162 0.102) 2.173 16.164 ( -1.445 0.852 -0.068) 1.679 16.336 ( -0.398 0.158 3.063) 3.093 16.422 ( 3.002 -3.512 -0.690) 4.672 ======================= Grid point 56 (22/72) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -1.066 20.503 3.036) 20.754 0.947 ( -4.656 8.058 2.158) 9.554 1.041 ( 0.844 -0.115 0.594) 1.038 1.316 ( -3.900 6.314 7.775) 10.749 1.605 ( 0.467 4.121 -2.558) 4.873 1.750 ( -5.268 7.766 -9.628) 13.445 1.757 ( -10.461 11.259 5.334) 16.268 1.981 ( 3.591 -6.514 1.532) 7.594 2.067 ( 3.667 0.292 -0.405) 3.701 2.157 ( 0.461 0.350 2.654) 2.716 2.190 ( -0.806 1.829 1.300) 2.385 2.391 ( 0.172 -1.111 -1.650) 1.996 2.456 ( -4.159 -4.645 1.827) 6.497 2.488 ( 1.165 -0.776 1.784) 2.268 2.514 ( 0.373 1.118 2.629) 2.882 2.557 ( 0.176 -4.785 4.200) 6.369 2.695 ( -0.952 -7.461 -2.480) 7.920 2.718 ( 0.812 -5.693 -2.855) 6.420 2.922 ( 0.139 -4.609 -1.875) 4.977 3.021 ( -1.152 2.953 2.540) 4.062 3.060 ( -1.191 1.163 -0.178) 1.675 3.230 ( -2.818 6.868 8.702) 11.438 3.436 ( 1.591 0.529 -5.667) 5.910 3.486 ( 3.828 1.578 -0.849) 4.227 3.622 ( -0.799 3.790 4.572) 5.992 3.764 ( 1.241 -3.566 3.479) 5.134 3.862 ( -3.519 -0.631 -0.006) 3.575 3.918 ( 1.319 2.427 -0.450) 2.799 4.012 ( 3.123 2.742 -2.232) 4.717 4.055 ( 1.991 1.711 -1.338) 2.947 4.119 ( 0.894 -0.379 -2.357) 2.549 4.155 ( -1.061 1.958 -1.826) 2.880 4.248 ( -1.270 -2.571 3.958) 4.888 4.267 ( -0.220 3.877 1.615) 4.206 4.363 ( -0.146 -3.093 -2.828) 4.194 4.504 ( -0.379 2.617 -7.915) 8.345 4.597 ( 1.126 0.107 6.231) 6.333 4.735 ( 0.364 -2.038 -4.194) 4.677 4.870 ( -2.183 1.497 -5.218) 5.851 4.921 ( 0.057 -2.692 -2.987) 4.021 5.081 ( -2.412 2.092 -0.726) 3.275 5.264 ( -0.098 -0.894 -3.537) 3.649 5.486 ( 1.755 -1.016 3.428) 3.983 5.541 ( -1.062 1.457 2.440) 3.034 5.680 ( 4.548 -0.682 -3.061) 5.524 5.849 ( 1.317 -2.068 2.277) 3.346 5.916 ( 1.901 -0.752 2.160) 2.974 5.972 ( -1.379 -3.020 1.131) 3.508 6.008 ( 2.418 -1.793 2.016) 3.623 6.150 ( 1.118 1.895 0.729) 2.318 6.209 ( -0.999 3.045 -0.018) 3.204 6.468 ( 0.929 -4.623 -4.251) 6.349 6.815 ( 3.967 -1.408 3.087) 5.220 6.930 ( -0.041 -2.340 -0.859) 2.493 7.066 ( -0.215 -1.835 -1.848) 2.613 7.201 ( -4.347 -1.083 1.330) 4.673 7.437 ( 6.107 2.622 -6.689) 9.429 7.446 ( -2.069 -0.288 -1.771) 2.739 7.591 ( 1.129 -0.063 0.806) 1.389 7.796 ( -5.405 -0.225 -2.620) 6.011 7.865 ( 0.232 1.122 -2.596) 2.838 8.135 ( -3.621 1.817 -0.552) 4.089 8.225 ( 2.761 -1.795 6.515) 7.300 8.321 ( -0.327 -0.248 3.849) 3.870 8.347 ( -1.666 2.474 3.940) 4.942 8.473 ( -0.731 -0.301 5.053) 5.115 8.589 ( 0.033 -0.047 -1.461) 1.463 8.666 ( -0.037 -3.256 -1.459) 3.568 11.742 ( -0.171 0.740 0.715) 1.043 11.766 ( 0.128 0.294 -0.721) 0.789 11.791 ( -0.334 -0.129 0.767) 0.846 11.908 ( 0.254 -1.211 -0.749) 1.447 15.142 ( -0.236 2.456 1.374) 2.824 15.276 ( 1.199 -1.842 0.295) 2.217 15.344 ( -0.341 3.300 -0.129) 3.320 15.516 ( 0.172 -0.901 -0.944) 1.316 15.588 ( -0.353 -1.238 3.427) 3.660 15.643 ( -1.809 -0.992 2.732) 3.423 15.872 ( 0.319 -0.226 -3.364) 3.387 15.924 ( 1.403 -0.110 -5.377) 5.559 16.078 ( -1.023 2.027 -0.205) 2.280 16.121 ( -1.057 2.510 -0.019) 2.724 16.348 ( 1.058 -2.051 7.189) 7.550 16.551 ( 5.002 -5.489 -0.411) 7.438 ======================= Grid point 57 (23/72) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -1.589 15.485 13.380) 20.526 0.672 ( -11.959 13.394 11.790) 21.481 1.071 ( 0.799 -1.222 -0.128) 1.466 1.140 ( -10.625 15.225 7.050) 19.859 1.348 ( -6.852 9.985 24.788) 27.588 1.510 ( -0.521 3.767 -7.013) 7.978 1.609 ( -0.926 5.343 -10.257) 11.602 2.048 ( 0.862 0.007 -0.195) 0.884 2.101 ( 1.883 0.550 5.082) 5.447 2.221 ( 5.125 -5.546 0.261) 7.556 2.270 ( -0.190 -5.662 2.461) 6.177 2.426 ( 1.229 -1.981 -1.416) 2.728 2.466 ( -1.191 -1.157 1.417) 2.183 2.547 ( 2.367 -2.836 2.003) 4.202 2.569 ( -4.218 -5.159 -1.063) 6.748 2.606 ( 0.110 -0.363 2.050) 2.084 2.770 ( -2.626 -4.153 0.486) 4.937 2.852 ( 2.289 -3.186 -2.546) 4.677 2.925 ( 1.622 6.025 -0.340) 6.248 3.002 ( -2.750 -0.628 0.288) 2.835 3.036 ( -2.356 -1.580 1.728) 3.321 3.131 ( -1.619 -0.389 0.864) 1.876 3.418 ( 3.697 3.951 -8.201) 9.825 3.450 ( 1.546 2.111 -9.035) 9.407 3.548 ( -1.035 3.420 6.321) 7.261 3.792 ( -1.106 -0.135 2.788) 3.002 3.852 ( -1.086 0.990 0.726) 1.639 3.926 ( 3.388 0.062 0.602) 3.441 3.964 ( 0.201 1.766 -1.042) 2.060 3.999 ( 0.283 2.489 -1.762) 3.063 4.100 ( -3.355 2.233 -2.090) 4.540 4.188 ( 0.958 -3.206 -3.069) 4.541 4.210 ( 3.507 3.707 2.052) 5.500 4.291 ( 0.209 -2.475 5.448) 5.988 4.397 ( -1.807 -0.673 -3.799) 4.260 4.466 ( 1.801 -0.583 -6.276) 6.556 4.610 ( 1.059 0.578 4.017) 4.194 4.741 ( 1.252 1.908 -1.064) 2.518 4.822 ( -1.812 0.884 -7.240) 7.516 4.959 ( -1.317 -2.239 -2.924) 3.911 5.049 ( -2.394 -1.881 0.230) 3.053 5.252 ( -0.475 2.515 -6.844) 7.307 5.509 ( -1.876 -0.684 6.032) 6.354 5.522 ( 1.440 1.472 4.913) 5.327 5.732 ( 4.066 -1.390 -0.247) 4.304 5.893 ( 0.876 -1.347 -0.869) 1.827 5.963 ( 0.299 -2.966 0.231) 2.990 5.996 ( -0.069 1.855 1.613) 2.459 6.061 ( 0.246 -2.886 3.008) 4.176 6.136 ( 1.043 -0.527 2.427) 2.694 6.201 ( 3.952 -1.183 3.382) 5.334 6.550 ( 0.017 -3.874 -4.809) 6.175 6.893 ( 5.643 -1.785 1.594) 6.130 6.988 ( 4.515 -1.871 -0.610) 4.926 7.073 ( -3.898 -0.655 -0.587) 3.996 7.169 ( -4.439 0.959 -0.269) 4.549 7.377 ( 3.594 6.139 -4.074) 8.197 7.419 ( 0.273 3.416 -1.552) 3.762 7.617 ( -1.557 -3.055 -1.188) 3.629 7.783 ( 0.910 0.791 0.385) 1.266 7.861 ( -3.939 -3.843 -3.504) 6.524 8.051 ( -4.560 3.073 -3.537) 6.538 8.254 ( 0.393 1.385 5.208) 5.403 8.306 ( -0.284 0.925 5.510) 5.594 8.319 ( -0.496 0.802 3.056) 3.198 8.549 ( -0.604 -8.897 7.863) 11.889 8.591 ( -0.559 -0.965 -1.716) 2.046 8.715 ( 0.543 -1.995 -1.381) 2.486 11.727 ( -0.871 0.358 -0.130) 0.951 11.755 ( 0.450 0.669 -1.187) 1.435 11.804 ( 0.223 -0.637 2.191) 2.292 11.924 ( -0.016 -0.458 -0.813) 0.934 15.105 ( -0.456 1.304 0.662) 1.531 15.228 ( 0.954 6.369 -3.419) 7.291 15.370 ( 2.418 -3.623 3.822) 5.795 15.520 ( 0.182 0.410 -0.902) 1.007 15.613 ( 0.373 -0.714 2.952) 3.060 15.659 ( -4.495 -3.783 2.953) 6.576 15.867 ( 0.130 1.165 -4.390) 4.544 15.900 ( 0.134 2.939 -5.814) 6.516 16.038 ( -0.158 1.411 -0.138) 1.426 16.065 ( -1.243 2.114 0.142) 2.456 16.486 ( 3.265 -10.288 11.665) 15.892 16.692 ( 6.039 -4.538 1.137) 7.639 ======================= Grid point 59 (24/72) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 15.739 0.000 15.667) 22.208 0.683 ( 10.825 0.000 19.436) 22.247 0.986 ( 18.574 0.000 14.428) 23.520 1.051 ( -2.701 -0.000 -0.833) 2.827 1.317 ( 0.514 0.000 20.636) 20.642 1.543 ( 5.829 0.000 -6.250) 8.546 1.637 ( 11.826 0.000 -12.440) 17.164 2.020 ( -3.184 -0.000 -0.182) 3.189 2.025 ( -8.206 -0.000 3.499) 8.921 2.199 ( -5.387 -0.000 -0.583) 5.418 2.363 ( -5.831 -0.000 -1.514) 6.024 2.404 ( -2.047 -0.000 5.229) 5.616 2.523 ( -1.475 -0.000 -4.910) 5.127 2.546 ( 3.449 0.000 1.095) 3.619 2.570 ( 0.145 0.000 6.819) 6.820 2.725 ( 0.952 0.000 -3.114) 3.256 2.762 ( 1.196 0.000 1.553) 1.960 2.845 ( -0.386 -0.000 0.118) 0.403 2.860 ( 0.848 0.000 3.493) 3.595 3.009 ( 4.015 0.000 0.495) 4.046 3.051 ( 0.812 0.000 -1.561) 1.759 3.139 ( -0.996 -0.000 -5.050) 5.148 3.422 ( 0.379 0.000 -0.641) 0.745 3.481 ( 4.368 0.000 -18.140) 18.658 3.520 ( -0.142 -0.000 8.060) 8.061 3.808 ( -0.381 -0.000 -0.031) 0.382 3.845 ( 2.407 0.000 6.118) 6.575 3.920 ( -1.292 -0.000 1.415) 1.916 3.983 ( 1.652 0.000 -2.133) 2.698 4.015 ( 3.316 0.000 2.452) 4.125 4.021 ( 0.208 0.000 -0.927) 0.950 4.131 ( -3.679 -0.000 1.111) 3.843 4.177 ( -2.764 -0.000 -4.540) 5.315 4.341 ( 0.520 0.000 -1.747) 1.822 4.396 ( 0.298 0.000 -11.125) 11.129 4.556 ( -3.141 -0.000 -0.440) 3.171 4.588 ( -7.675 -0.000 10.714) 13.179 4.711 ( 4.756 0.000 -5.553) 7.312 4.769 ( 0.823 0.000 -9.228) 9.264 4.974 ( 2.343 0.000 -2.166) 3.191 5.043 ( 2.141 0.000 3.440) 4.052 5.151 ( 0.596 0.000 -2.068) 2.152 5.466 ( -3.069 -0.000 6.014) 6.752 5.532 ( -0.181 -0.000 6.138) 6.141 5.823 ( -3.983 -0.000 -0.564) 4.022 5.883 ( 0.707 0.000 8.653) 8.682 5.888 ( -2.230 -0.000 -5.207) 5.665 5.958 ( -4.620 -0.000 -1.629) 4.899 6.051 ( -2.446 -0.000 -2.568) 3.547 6.162 ( -7.259 -0.000 3.667) 8.132 6.216 ( 2.887 0.000 6.987) 7.560 6.587 ( 0.142 0.000 -6.790) 6.791 6.926 ( -5.623 -0.000 -0.082) 5.624 6.928 ( -6.564 -0.000 -1.013) 6.642 7.228 ( 7.052 0.000 -1.185) 7.151 7.280 ( -1.633 -0.000 2.328) 2.844 7.289 ( 7.160 0.000 -0.989) 7.228 7.342 ( -0.151 -0.000 0.434) 0.460 7.691 ( 3.392 0.000 -7.180) 7.941 7.828 ( 5.216 0.000 2.736) 5.890 7.944 ( 0.370 0.000 -7.306) 7.315 7.996 ( 8.064 0.000 -3.553) 8.813 8.225 ( -3.733 -0.000 2.983) 4.779 8.289 ( -0.040 -0.000 7.614) 7.614 8.296 ( -0.586 -0.000 1.954) 2.040 8.494 ( -9.255 -0.000 5.694) 10.866 8.615 ( 0.457 0.000 0.128) 0.475 8.732 ( 0.607 0.000 -2.325) 2.403 11.697 ( -0.746 -0.000 -0.553) 0.929 11.767 ( 1.096 0.000 -0.620) 1.259 11.834 ( 0.631 0.000 2.540) 2.618 11.908 ( -0.918 -0.000 -0.790) 1.211 15.110 ( 0.403 0.000 1.386) 1.443 15.118 ( -0.772 -0.000 -0.440) 0.888 15.503 ( -0.362 -0.000 -0.973) 1.038 15.516 ( -4.475 -0.000 1.495) 4.718 15.579 ( 0.195 0.000 1.993) 2.002 15.754 ( 7.791 0.000 -1.449) 7.924 15.805 ( 1.645 0.000 -2.137) 2.697 15.879 ( 0.787 0.000 -2.579) 2.697 16.023 ( -0.338 -0.000 -0.729) 0.803 16.056 ( 2.205 0.000 0.726) 2.322 16.510 ( -17.833 -0.000 12.900) 22.009 16.624 ( -4.576 -0.000 1.958) 4.977 ======================= Grid point 60 (25/72) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 15.209 -4.615 13.004) 20.536 0.902 ( 7.083 -9.444 12.077) 16.889 1.020 ( -2.401 0.449 -0.810) 2.574 1.199 ( 5.798 -3.178 4.607) 8.058 1.536 ( 7.839 -3.721 0.670) 8.703 1.588 ( 14.870 -10.247 7.884) 19.705 1.827 ( 11.660 -7.253 -8.328) 16.060 1.970 ( -7.850 -2.219 4.817) 9.473 1.974 ( -4.244 0.965 -0.457) 4.377 2.097 ( -9.136 3.785 0.250) 9.892 2.292 ( -0.907 2.152 -4.660) 5.212 2.393 ( -4.875 0.383 2.707) 5.589 2.426 ( -0.687 5.035 -3.477) 6.157 2.518 ( 1.409 3.939 1.400) 4.411 2.589 ( 0.593 0.546 5.408) 5.468 2.669 ( 1.505 5.053 0.713) 5.321 2.791 ( 1.181 0.626 0.894) 1.608 2.839 ( -1.832 -0.866 0.259) 2.043 2.973 ( -0.273 -6.613 1.761) 6.849 2.992 ( 2.157 5.697 -3.655) 7.104 3.042 ( 3.867 2.341 1.843) 4.882 3.083 ( -0.175 0.511 0.598) 0.806 3.460 ( -1.414 -3.191 -4.559) 5.742 3.500 ( 1.495 -0.740 -6.038) 6.264 3.559 ( -1.017 -3.578 3.238) 4.931 3.827 ( -0.385 -2.445 0.722) 2.578 3.858 ( -0.247 0.216 8.102) 8.109 3.941 ( -2.635 2.547 0.645) 3.721 3.981 ( -0.403 -0.458 1.509) 1.628 4.009 ( 3.020 -1.139 -3.155) 4.513 4.068 ( 0.390 -2.889 -0.517) 2.961 4.107 ( -0.640 1.203 -1.396) 1.950 4.178 ( 0.920 -2.650 -1.877) 3.375 4.322 ( -0.079 1.282 -4.722) 4.894 4.367 ( -3.249 4.271 -1.313) 5.524 4.419 ( 0.343 0.420 0.504) 0.741 4.653 ( -1.075 -3.048 3.789) 4.980 4.737 ( -0.065 0.073 -7.042) 7.042 4.791 ( 0.542 -2.351 -6.344) 6.787 4.998 ( 3.886 0.297 -3.439) 5.198 5.085 ( 5.389 -0.512 0.682) 5.456 5.170 ( 0.505 -1.296 -3.377) 3.653 5.436 ( -2.372 0.168 6.237) 6.675 5.576 ( -0.300 -3.429 4.168) 5.406 5.737 ( -6.005 3.623 -0.822) 7.061 5.808 ( -5.761 3.135 -2.794) 7.129 5.888 ( -0.558 1.056 4.200) 4.367 5.955 ( -3.148 -2.904 -1.410) 4.509 6.053 ( -0.616 -1.447 0.334) 1.608 6.134 ( -3.740 -2.260 3.020) 5.312 6.227 ( 1.601 1.687 4.456) 5.027 6.520 ( -0.474 5.062 -6.065) 7.914 6.838 ( -5.103 2.803 0.181) 5.824 6.929 ( -3.673 -3.782 -1.009) 5.368 7.160 ( 0.705 5.390 -0.018) 5.436 7.244 ( 3.592 4.293 0.541) 5.624 7.384 ( -0.202 -2.371 1.193) 2.662 7.421 ( 4.911 -4.342 -1.198) 6.664 7.633 ( 0.670 5.816 -5.664) 8.146 7.893 ( 2.859 -0.871 0.889) 3.118 7.963 ( 0.292 -1.157 -3.758) 3.943 8.030 ( 7.515 1.592 -3.561) 8.467 8.221 ( -4.623 -2.973 2.593) 6.078 8.292 ( -0.409 0.329 2.760) 2.809 8.334 ( 0.176 -3.117 5.763) 6.554 8.420 ( -2.440 1.272 6.750) 7.289 8.597 ( 0.893 2.232 -0.746) 2.517 8.722 ( 0.444 1.431 -2.437) 2.861 11.696 ( -0.521 -0.533 -0.357) 0.826 11.785 ( 1.147 -0.869 -0.530) 1.534 11.832 ( 0.322 1.013 2.313) 2.546 11.896 ( -0.906 0.417 -1.103) 1.487 15.088 ( -0.551 -0.372 1.094) 1.280 15.206 ( -0.370 -6.268 -0.829) 6.334 15.434 ( -2.737 4.088 2.835) 5.677 15.498 ( -0.426 0.337 -1.124) 1.248 15.581 ( 0.651 0.337 2.295) 2.409 15.720 ( 3.624 4.025 1.778) 5.701 15.876 ( 1.165 0.035 -3.651) 3.832 15.906 ( 1.590 -1.849 -4.298) 4.942 16.045 ( 0.413 -3.323 -1.255) 3.576 16.101 ( 2.783 -1.926 0.253) 3.394 16.353 ( -8.430 3.395 10.336) 13.763 16.565 ( -6.773 1.725 0.593) 7.015 ======================= Grid point 61 (26/72) ======================= q-point: ( 0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -1.442 0.086 0.128) 1.451 1.037 ( 2.337 -3.494 0.872) 4.293 1.139 ( 9.923 -11.045 7.924) 16.830 1.353 ( 4.859 -7.708 9.899) 13.454 1.584 ( 5.616 -0.084 -6.207) 8.371 1.835 ( 1.373 1.639 -0.818) 2.289 1.939 ( -7.438 1.570 1.450) 7.739 1.989 ( -3.959 -4.532 0.337) 6.027 2.026 ( 6.780 -5.609 -2.929) 9.274 2.052 ( 3.670 -5.374 4.797) 8.085 2.242 ( 2.289 1.507 -5.612) 6.245 2.302 ( -2.987 1.486 -1.483) 3.651 2.372 ( 0.067 1.929 -1.765) 2.615 2.467 ( -1.384 2.112 0.988) 2.712 2.553 ( -0.612 4.157 1.883) 4.604 2.616 ( 2.181 3.743 3.113) 5.334 2.731 ( -3.251 6.715 0.624) 7.486 2.783 ( 2.634 3.692 -2.353) 5.110 2.900 ( 2.270 1.136 -5.737) 6.274 3.064 ( -1.203 -1.366 3.922) 4.324 3.122 ( 3.819 -6.987 5.910) 9.916 3.130 ( 1.628 -3.005 4.401) 5.572 3.458 ( 0.216 2.875 -2.833) 4.042 3.519 ( -2.985 -1.804 2.325) 4.192 3.606 ( -3.263 -2.799 2.789) 5.125 3.784 ( -2.519 6.574 4.119) 8.157 3.870 ( -3.466 -3.300 0.530) 4.814 3.903 ( 0.918 -1.846 3.578) 4.129 3.996 ( -4.852 -1.447 0.654) 5.105 4.046 ( -0.402 -1.368 -1.511) 2.078 4.081 ( 3.267 -0.649 -4.014) 5.216 4.137 ( 1.371 -0.885 0.927) 1.878 4.242 ( 4.543 -0.783 -2.818) 5.403 4.266 ( -1.687 1.831 -3.847) 4.582 4.338 ( 0.522 -2.252 -1.550) 2.783 4.450 ( 0.036 -2.649 0.259) 2.662 4.675 ( 0.781 1.260 3.137) 3.470 4.715 ( 0.117 1.116 -7.101) 7.189 4.821 ( 0.285 -1.391 -4.551) 4.768 5.011 ( 3.096 1.548 -3.498) 4.921 5.140 ( 4.374 -0.040 0.003) 4.374 5.203 ( 2.400 -1.570 -2.731) 3.960 5.458 ( 0.644 -2.601 4.951) 5.630 5.590 ( -8.084 2.797 0.508) 8.570 5.640 ( -0.801 0.417 -0.272) 0.943 5.704 ( -3.660 -0.067 -3.470) 5.044 5.877 ( -1.170 0.116 4.131) 4.295 5.970 ( -3.752 -2.334 -2.016) 4.857 6.052 ( 0.318 1.419 3.048) 3.377 6.144 ( -2.548 0.766 4.135) 4.917 6.241 ( 1.969 -2.821 -1.179) 3.636 6.423 ( -0.363 3.747 -4.911) 6.188 6.757 ( -3.428 1.552 1.408) 4.017 6.967 ( -1.286 -2.533 -1.897) 3.416 7.073 ( 2.021 5.637 0.288) 5.996 7.198 ( -0.376 1.965 0.922) 2.203 7.402 ( -1.853 -0.855 0.092) 2.043 7.498 ( 2.991 3.454 -4.146) 6.170 7.564 ( 3.671 -1.147 -2.012) 4.340 7.886 ( -1.130 1.286 -3.256) 3.679 7.974 ( 1.601 1.179 -0.718) 2.114 8.076 ( 3.334 -1.173 3.982) 5.325 8.241 ( -1.491 -1.192 -1.031) 2.170 8.287 ( 0.039 0.102 3.650) 3.652 8.393 ( -1.145 -3.595 4.322) 5.737 8.432 ( 0.856 -1.432 4.423) 4.727 8.551 ( -0.788 2.510 -0.770) 2.741 8.687 ( 0.739 2.475 -2.164) 3.370 11.706 ( -0.215 -0.993 0.023) 1.016 11.810 ( 0.097 0.786 0.939) 1.228 11.817 ( 0.857 -0.748 0.417) 1.211 11.873 ( -0.651 1.150 -1.292) 1.848 15.108 ( -0.755 -2.204 1.465) 2.752 15.317 ( -0.212 -5.859 -2.046) 6.210 15.342 ( -1.213 3.965 3.495) 5.423 15.482 ( -0.136 1.040 -1.416) 1.762 15.585 ( 0.512 0.339 3.012) 3.074 15.689 ( 1.768 2.595 2.460) 3.988 15.872 ( 0.797 0.622 -3.741) 3.875 15.912 ( 0.292 0.558 -3.066) 3.130 16.123 ( -0.205 -3.695 -1.279) 3.915 16.164 ( 3.497 -1.734 -1.512) 4.186 16.266 ( -3.438 1.089 6.692) 7.602 16.463 ( -5.555 2.684 -0.160) 6.171 ======================= Grid point 62 (27/72) ======================= q-point: ( 0.57 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -0.580 -0.614 0.951) 1.272 1.062 ( -0.491 0.005 -0.660) 0.822 1.403 ( 4.745 -6.767 4.027) 9.194 1.515 ( 3.958 -2.720 6.770) 8.300 1.585 ( 3.035 5.665 -1.501) 6.599 1.799 ( -3.127 -1.065 -4.521) 5.599 1.862 ( -1.061 0.922 -2.319) 2.712 1.997 ( -0.377 1.920 4.013) 4.465 2.075 ( 0.164 1.602 -1.590) 2.263 2.136 ( 1.647 -4.493 -2.136) 5.241 2.268 ( 2.336 -1.675 -3.593) 4.601 2.314 ( -2.617 0.831 0.059) 2.747 2.350 ( 1.683 2.108 -2.709) 3.823 2.422 ( -1.785 2.192 -0.385) 2.854 2.468 ( -2.362 -1.512 1.311) 3.096 2.579 ( -2.072 -0.420 1.027) 2.350 2.591 ( -0.375 4.571 0.584) 4.623 2.749 ( 2.842 2.710 -3.363) 5.170 2.960 ( -0.888 1.272 -2.212) 2.701 3.025 ( 0.924 0.992 1.800) 2.253 3.184 ( 0.717 0.792 4.962) 5.075 3.312 ( 4.813 -6.702 6.260) 10.357 3.368 ( -0.918 3.328 6.848) 7.669 3.495 ( -2.579 0.892 2.893) 3.977 3.637 ( -1.796 -3.325 4.362) 5.771 3.702 ( -1.124 1.610 2.420) 3.117 3.893 ( -2.588 -1.945 -1.033) 3.399 3.916 ( -3.067 0.783 -1.348) 3.441 3.980 ( 0.130 -1.281 1.345) 1.862 4.079 ( -0.672 -2.267 1.502) 2.801 4.127 ( 1.624 -1.432 -1.149) 2.452 4.138 ( 1.861 1.218 0.318) 2.247 4.245 ( -1.664 -0.832 -5.726) 6.021 4.276 ( 3.720 0.425 -2.100) 4.293 4.383 ( 0.951 -0.937 -0.758) 1.535 4.517 ( -0.981 -5.060 0.483) 5.177 4.643 ( -0.576 1.703 1.316) 2.228 4.667 ( 0.836 4.159 -7.453) 8.576 4.843 ( 1.462 -0.845 -3.736) 4.100 4.984 ( 0.756 2.854 -3.339) 4.458 5.160 ( 2.589 1.501 0.371) 3.016 5.251 ( 2.232 -0.687 -1.476) 2.762 5.464 ( -4.183 1.671 1.523) 4.755 5.524 ( -1.452 -1.584 0.565) 2.221 5.632 ( 1.463 -3.100 -0.959) 3.559 5.740 ( 0.599 -2.248 -1.511) 2.774 5.872 ( -2.589 -1.135 3.118) 4.209 5.960 ( -1.080 0.425 1.413) 1.829 6.046 ( -1.161 0.481 2.816) 3.083 6.092 ( -0.092 1.239 -0.343) 1.289 6.326 ( 1.428 -3.408 -3.128) 4.842 6.363 ( -0.497 2.099 -2.562) 3.349 6.733 ( -2.188 -1.552 2.708) 3.812 6.964 ( 2.604 4.017 0.752) 4.846 7.024 ( 0.375 -0.396 -2.824) 2.876 7.170 ( -2.858 -0.167 1.141) 3.082 7.388 ( -2.505 -0.474 -1.347) 2.884 7.457 ( 1.506 1.219 -3.387) 3.902 7.633 ( 6.217 -0.065 -2.076) 6.555 7.835 ( -3.948 1.441 -3.271) 5.326 7.950 ( 1.418 2.419 -1.185) 3.044 8.140 ( 1.862 -2.386 7.295) 7.898 8.221 ( -0.754 1.839 -0.968) 2.211 8.302 ( 0.974 -0.412 3.657) 3.807 8.428 ( -0.566 1.751 3.396) 3.863 8.469 ( -1.198 -2.605 1.737) 3.353 8.521 ( -1.065 -1.808 -0.660) 2.200 8.646 ( 0.722 2.422 -1.196) 2.796 11.727 ( 0.092 -1.328 0.503) 1.423 11.785 ( -0.419 1.417 1.276) 1.953 11.840 ( 0.275 1.643 -0.718) 1.814 11.852 ( 0.086 -1.572 -1.125) 1.935 15.153 ( -0.501 -3.045 1.714) 3.530 15.263 ( -0.743 3.611 2.386) 4.391 15.416 ( -0.094 -4.469 -1.485) 4.710 15.455 ( 0.300 1.664 -1.148) 2.044 15.582 ( 0.026 0.578 3.340) 3.390 15.662 ( 0.469 1.762 2.203) 2.860 15.865 ( 0.541 0.179 -3.802) 3.845 15.906 ( 0.648 -0.089 -2.923) 2.996 16.137 ( -2.461 0.429 0.504) 2.549 16.189 ( 2.626 1.358 -0.734) 3.046 16.303 ( 0.600 -3.898 2.267) 4.549 16.391 ( -2.678 0.078 -0.043) 2.679 ======================= Grid point 63 (28/72) ======================= q-point: (-0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -0.166 -0.471 0.373) 0.623 1.037 ( -0.200 2.444 -0.761) 2.568 1.322 ( 4.430 18.195 1.867) 18.819 1.438 ( -2.568 9.133 6.403) 11.445 1.608 ( 0.306 -4.460 1.944) 4.875 1.789 ( -1.142 0.775 -3.169) 3.457 1.856 ( -5.765 4.076 -5.819) 9.149 1.966 ( 5.712 4.038 -5.564) 8.938 2.077 ( 6.660 -3.980 -0.514) 7.776 2.149 ( 0.442 2.744 -3.493) 4.464 2.226 ( -8.021 -1.617 1.474) 8.314 2.353 ( 0.158 -3.797 -1.867) 4.234 2.380 ( -0.392 1.931 0.544) 2.044 2.402 ( -0.919 -6.014 6.333) 8.782 2.519 ( -0.555 0.666 1.785) 1.985 2.535 ( -0.798 -4.772 -2.945) 5.664 2.636 ( -3.262 -0.273 0.281) 3.285 2.664 ( 2.634 4.629 7.741) 9.397 2.841 ( -1.962 -0.158 -2.719) 3.357 3.079 ( 2.496 1.092 -2.079) 3.427 3.106 ( 0.009 4.690 3.981) 6.152 3.328 ( -2.395 4.956 8.941) 10.500 3.408 ( -0.609 -2.933 3.096) 4.308 3.536 ( 3.949 -2.317 -0.694) 4.631 3.673 ( -0.617 1.659 3.138) 3.603 3.707 ( 0.873 -4.462 4.746) 6.573 3.846 ( -1.375 2.078 0.362) 2.518 3.918 ( -2.213 -1.604 -1.114) 2.951 4.022 ( 1.102 -2.289 -1.709) 3.062 4.086 ( 0.108 2.159 -1.338) 2.542 4.129 ( -1.679 -1.468 1.809) 2.872 4.176 ( 2.307 -0.667 -0.702) 2.502 4.219 ( -0.192 2.017 -4.793) 5.203 4.301 ( -0.144 -1.470 1.842) 2.361 4.372 ( 1.786 2.956 -1.040) 3.607 4.563 ( -1.450 5.012 -7.728) 9.325 4.597 ( 0.547 -1.821 4.505) 4.890 4.645 ( -0.499 -4.051 -5.212) 6.620 4.866 ( 1.046 -0.299 -4.011) 4.156 4.927 ( 0.228 2.377 -2.584) 3.518 5.124 ( -0.134 3.509 -0.389) 3.533 5.247 ( -0.708 0.538 -2.516) 2.669 5.463 ( -0.151 -2.273 1.817) 2.914 5.540 ( -0.111 -1.200 1.206) 1.705 5.722 ( 5.295 0.152 -2.710) 5.950 5.783 ( -1.333 -5.044 1.000) 5.312 5.888 ( -2.014 -2.928 3.814) 5.213 5.966 ( 1.648 1.431 0.755) 2.309 5.991 ( -1.992 0.208 4.228) 4.678 6.138 ( 0.951 -3.497 -2.210) 4.244 6.279 ( -0.563 4.713 -1.330) 4.929 6.404 ( 0.982 -2.977 -3.591) 4.767 6.778 ( -0.917 -4.272 3.477) 5.584 6.926 ( 2.112 1.894 1.697) 3.305 7.047 ( 1.465 -0.983 -3.687) 4.087 7.149 ( -3.829 -0.820 0.415) 3.937 7.392 ( -1.823 -2.186 -1.773) 3.353 7.466 ( 2.137 -0.873 -5.278) 5.761 7.658 ( 3.503 2.628 0.598) 4.420 7.763 ( -2.996 1.585 -3.753) 5.057 7.917 ( 1.716 2.463 -1.225) 3.243 8.149 ( -3.034 2.418 -1.411) 4.129 8.225 ( 2.794 -1.718 6.870) 7.613 8.319 ( 0.176 -0.277 5.200) 5.211 8.370 ( -2.667 2.252 4.536) 5.723 8.484 ( 0.165 0.483 1.427) 1.515 8.575 ( -0.331 -2.831 -2.280) 3.650 8.617 ( -0.053 0.013 -0.217) 0.224 11.753 ( -0.690 -0.519 0.464) 0.981 11.760 ( 0.413 0.367 1.179) 1.302 11.808 ( 0.205 1.618 -0.675) 1.765 11.882 ( 0.025 -1.544 -1.063) 1.875 15.186 ( -0.491 1.817 1.204) 2.234 15.229 ( 0.146 -2.443 2.790) 3.711 15.407 ( 0.112 3.053 -1.721) 3.506 15.483 ( -0.065 -2.386 -1.005) 2.590 15.577 ( -0.533 0.023 3.379) 3.420 15.641 ( -0.220 0.847 2.389) 2.545 15.865 ( 0.214 -0.250 -3.535) 3.551 15.921 ( 1.296 -0.880 -4.404) 4.674 16.100 ( -1.174 1.419 0.993) 2.092 16.171 ( 1.489 2.643 -1.016) 3.199 16.324 ( -1.837 -0.726 4.066) 4.520 16.465 ( 1.715 -6.455 -0.705) 6.716 ======================= Grid point 64 (29/72) ======================= q-point: (-0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -2.362 13.733 3.010) 14.256 0.985 ( 7.317 18.385 3.891) 20.167 1.053 ( 0.519 2.095 0.865) 2.326 1.253 ( -4.780 7.109 3.769) 9.359 1.563 ( -3.899 7.149 -5.419) 9.782 1.611 ( -2.326 13.473 9.851) 16.852 1.743 ( 5.587 6.283 -5.875) 10.257 2.032 ( 0.298 -2.895 -3.963) 4.917 2.126 ( 1.202 -1.360 1.867) 2.604 2.160 ( 1.649 -4.336 0.158) 4.642 2.219 ( 0.175 5.526 5.968) 8.136 2.334 ( -3.560 -5.349 1.530) 6.605 2.416 ( -1.326 -4.927 -1.315) 5.269 2.500 ( 0.026 -4.062 2.535) 4.788 2.506 ( -1.589 1.842 0.023) 2.433 2.559 ( -1.022 -4.478 2.250) 5.115 2.682 ( 0.863 -6.449 1.282) 6.631 2.775 ( 4.699 -5.408 -2.098) 7.465 2.900 ( -1.116 -6.857 -2.824) 7.500 2.994 ( -2.080 4.358 3.450) 5.934 3.073 ( 1.850 4.146 -1.467) 4.771 3.190 ( -3.825 6.845 8.408) 11.497 3.444 ( 1.346 -0.776 -6.369) 6.555 3.551 ( 2.002 3.198 -0.445) 3.799 3.620 ( -0.351 3.987 4.411) 5.956 3.804 ( 2.719 0.246 3.956) 4.807 3.829 ( -0.329 -3.012 2.809) 4.132 3.919 ( -0.663 -0.880 -1.747) 2.065 4.018 ( -1.410 2.945 -2.712) 4.245 4.064 ( 0.105 1.221 -2.097) 2.429 4.107 ( 0.124 1.516 -1.887) 2.424 4.165 ( 0.059 2.775 -3.836) 4.735 4.209 ( -1.612 -2.071 3.452) 4.336 4.334 ( 3.522 2.533 -1.023) 4.457 4.341 ( -1.817 -3.201 3.091) 4.807 4.462 ( -2.263 2.523 -7.780) 8.486 4.624 ( 0.798 -0.687 5.567) 5.666 4.726 ( 0.382 -3.962 -7.761) 8.722 4.834 ( -0.161 2.464 -3.017) 3.899 4.934 ( 2.054 -1.116 -3.852) 4.506 5.053 ( -0.353 3.121 -0.423) 3.169 5.237 ( -1.787 -0.729 -4.301) 4.714 5.486 ( -1.975 -0.460 3.324) 3.894 5.563 ( 2.104 0.397 3.533) 4.131 5.742 ( 2.294 -0.722 -3.020) 3.861 5.859 ( -1.041 -3.254 -0.160) 3.420 5.914 ( -2.625 -0.146 2.774) 3.822 5.980 ( 1.882 -3.820 3.070) 5.249 6.028 ( -0.335 -2.085 3.004) 3.672 6.173 ( 1.415 2.711 -0.179) 3.063 6.204 ( -0.376 0.207 1.097) 1.178 6.465 ( 0.117 -4.115 -4.891) 6.393 6.870 ( 0.232 -5.192 3.503) 6.268 6.939 ( 0.277 -1.670 1.787) 2.462 7.070 ( 2.783 -0.262 -2.666) 3.863 7.135 ( -3.003 -0.728 -1.558) 3.460 7.416 ( -0.154 -1.035 -1.878) 2.149 7.484 ( 0.883 0.857 -8.186) 8.278 7.601 ( -2.453 2.182 1.775) 3.732 7.760 ( 4.065 -1.302 -2.339) 4.867 7.887 ( 2.462 3.086 0.547) 3.986 8.062 ( -3.297 2.984 -3.673) 5.768 8.275 ( 0.768 -0.852 5.818) 5.930 8.317 ( -2.497 0.606 5.596) 6.157 8.340 ( 0.972 0.572 5.945) 6.051 8.462 ( -2.149 0.745 4.918) 5.419 8.580 ( -0.371 -0.219 -2.580) 2.616 8.667 ( 0.524 -3.418 -1.216) 3.666 11.731 ( -0.927 0.844 -0.009) 1.254 11.775 ( 0.894 0.670 -0.509) 1.228 11.795 ( 0.305 -0.546 1.698) 1.810 11.904 ( -0.342 -1.226 -1.229) 1.769 15.136 ( -0.754 2.442 1.032) 2.757 15.308 ( 2.149 -3.697 0.331) 4.289 15.335 ( -0.520 3.874 -0.107) 3.910 15.509 ( -0.482 -0.964 -1.209) 1.620 15.581 ( -1.562 -0.936 3.501) 3.946 15.635 ( 0.173 0.129 3.318) 3.325 15.868 ( 0.250 -0.282 -3.448) 3.469 15.932 ( 0.658 0.451 -6.182) 6.234 16.072 ( 0.898 1.727 0.592) 2.034 16.117 ( 0.472 3.881 -1.451) 4.170 16.362 ( -1.981 -4.847 8.606) 10.074 16.600 ( 0.145 -6.933 -0.576) 6.958 ======================= Grid point 67 (30/72) ======================= q-point: ( 0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 7.912 0.000 13.010) 15.227 0.983 ( 8.203 0.000 2.606) 8.607 1.014 ( 7.196 0.000 5.530) 9.076 1.230 ( 3.694 0.000 8.884) 9.621 1.536 ( 10.239 0.000 10.459) 14.636 1.694 ( 17.254 0.000 1.128) 17.291 1.838 ( 8.596 0.000 -13.249) 15.794 1.892 ( -6.289 -0.000 2.370) 6.721 1.942 ( -2.116 -0.000 2.892) 3.583 2.089 ( -5.070 -0.000 -1.099) 5.188 2.226 ( -7.996 -0.000 -0.971) 8.055 2.390 ( 0.054 0.000 -0.911) 0.913 2.452 ( -3.730 -0.000 -4.890) 6.150 2.563 ( -1.749 -0.000 2.155) 2.775 2.604 ( 1.091 0.000 7.295) 7.376 2.707 ( -2.533 -0.000 0.029) 2.533 2.833 ( 4.653 0.000 0.989) 4.757 2.845 ( -0.046 -0.000 0.248) 0.252 2.880 ( 0.307 0.000 3.768) 3.781 3.061 ( 0.473 0.000 -2.284) 2.333 3.093 ( 4.384 0.000 0.919) 4.479 3.113 ( -0.343 -0.000 -3.470) 3.487 3.359 ( -6.643 -0.000 -2.878) 7.240 3.513 ( 3.273 0.000 -13.113) 13.516 3.523 ( -1.870 -0.000 7.528) 7.757 3.800 ( -0.392 -0.000 0.820) 0.909 3.894 ( 0.790 0.000 8.845) 8.881 3.918 ( 0.444 0.000 2.061) 2.108 3.995 ( -2.156 -0.000 -2.441) 3.257 4.005 ( -3.635 -0.000 4.320) 5.646 4.037 ( 3.244 0.000 -3.210) 4.564 4.116 ( -1.040 -0.000 -5.021) 5.127 4.180 ( 6.374 0.000 2.587) 6.879 4.342 ( -0.301 -0.000 -1.748) 1.774 4.362 ( -1.145 -0.000 -9.733) 9.800 4.494 ( -2.748 -0.000 -1.960) 3.375 4.514 ( -2.936 -0.000 7.693) 8.234 4.732 ( 0.267 0.000 -3.127) 3.138 4.779 ( 2.590 0.000 -8.199) 8.598 5.039 ( 4.889 0.000 -3.102) 5.790 5.142 ( 7.147 0.000 1.014) 7.219 5.166 ( 1.950 0.000 -2.740) 3.364 5.432 ( -1.863 -0.000 6.319) 6.588 5.528 ( -2.029 -0.000 4.765) 5.179 5.708 ( -7.913 -0.000 -0.686) 7.942 5.793 ( -6.572 -0.000 -5.275) 8.427 5.866 ( -4.874 -0.000 -0.604) 4.911 5.921 ( 0.505 0.000 8.627) 8.642 6.022 ( -0.512 -0.000 -2.777) 2.824 6.081 ( -2.573 -0.000 1.962) 3.236 6.260 ( 0.306 0.000 4.324) 4.335 6.571 ( 0.187 0.000 -6.631) 6.634 6.823 ( -4.509 -0.000 -1.296) 4.692 6.844 ( -3.289 -0.000 -0.293) 3.302 7.188 ( -3.836 -0.000 -0.069) 3.837 7.313 ( -0.035 -0.000 -4.450) 4.450 7.411 ( 4.107 0.000 5.962) 7.240 7.420 ( 9.690 0.000 0.468) 9.701 7.689 ( -1.732 -0.000 -4.423) 4.750 7.890 ( -0.303 -0.000 -5.891) 5.899 7.963 ( 3.153 0.000 3.906) 5.019 8.105 ( 5.238 0.000 -5.836) 7.842 8.143 ( -4.658 -0.000 2.156) 5.133 8.293 ( -0.936 -0.000 2.994) 3.137 8.319 ( 0.573 0.000 7.406) 7.428 8.417 ( -0.948 -0.000 3.612) 3.735 8.633 ( 1.180 0.000 -0.498) 1.280 8.734 ( 0.288 0.000 -2.899) 2.913 11.687 ( -0.226 -0.000 -0.235) 0.326 11.785 ( 0.887 0.000 -0.711) 1.137 11.848 ( 0.169 0.000 2.144) 2.151 11.890 ( -0.756 -0.000 -0.622) 0.979 15.107 ( -0.305 -0.000 -0.058) 0.310 15.119 ( 0.148 0.000 1.747) 1.753 15.441 ( -4.035 -0.000 3.511) 5.348 15.495 ( -0.211 -0.000 -0.821) 0.847 15.593 ( 0.586 0.000 1.459) 1.572 15.832 ( 1.715 0.000 -2.176) 2.771 15.868 ( 5.345 0.000 -2.579) 5.935 15.890 ( 1.117 0.000 -3.052) 3.250 16.020 ( 0.349 0.000 -0.842) 0.911 16.106 ( 2.916 0.000 1.086) 3.112 16.310 ( -8.806 -0.000 9.736) 13.128 16.520 ( -6.731 -0.000 0.532) 6.752 ======================= Grid point 68 (31/72) ======================= q-point: ( 0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -1.530 -0.118 -0.372) 1.579 0.995 ( 3.973 -3.324 2.872) 5.923 1.156 ( 14.394 -1.872 8.967) 17.062 1.317 ( 6.616 -3.562 11.645) 13.859 1.628 ( 1.797 -2.753 1.349) 3.554 1.777 ( -7.450 -0.716 1.247) 7.588 1.856 ( -4.875 -0.593 3.344) 5.941 1.957 ( -2.623 3.134 -3.628) 5.465 1.984 ( 12.950 -6.340 -1.371) 14.484 2.052 ( 11.549 -2.460 -2.998) 12.183 2.229 ( -4.010 -4.271 -0.122) 5.860 2.347 ( 0.529 5.047 -3.088) 5.940 2.396 ( -1.126 1.760 -3.631) 4.189 2.518 ( -2.455 2.621 2.302) 4.266 2.602 ( -1.824 2.155 1.785) 3.340 2.663 ( -1.931 1.717 4.841) 5.487 2.801 ( 1.353 1.955 2.236) 3.263 2.859 ( 2.405 1.482 -2.109) 3.526 2.941 ( -2.758 -0.945 -2.490) 3.834 3.018 ( 0.813 2.003 0.567) 2.234 3.089 ( 0.974 -0.013 1.292) 1.618 3.136 ( 4.201 -1.319 1.604) 4.686 3.369 ( -6.361 -6.496 -3.118) 9.612 3.510 ( 0.402 0.979 -6.509) 6.595 3.531 ( -2.343 -1.775 6.429) 7.069 3.808 ( -1.246 -0.902 1.139) 1.914 3.883 ( 0.266 2.584 8.368) 8.762 3.910 ( -0.968 3.503 2.671) 4.510 3.950 ( -3.633 -0.169 -1.122) 3.807 3.999 ( -1.516 -2.429 0.401) 2.891 4.087 ( 2.073 -0.317 -3.147) 3.782 4.117 ( 2.347 -2.538 -0.333) 3.473 4.253 ( 3.361 -1.097 -1.339) 3.781 4.302 ( 0.458 1.391 -5.424) 5.618 4.332 ( 0.165 1.974 -1.458) 2.460 4.424 ( 0.076 -0.174 1.192) 1.208 4.633 ( -1.875 -7.033 -2.025) 7.555 4.719 ( 0.217 1.328 -1.189) 1.796 4.802 ( 2.353 -0.611 -6.038) 6.509 5.063 ( 3.293 1.296 -4.318) 5.583 5.197 ( 4.796 -0.336 -1.550) 5.052 5.203 ( 5.484 -0.104 0.623) 5.520 5.438 ( 1.642 -1.254 5.193) 5.589 5.529 ( -6.893 -1.299 1.802) 7.242 5.617 ( -8.090 1.194 -1.657) 8.344 5.696 ( -1.989 1.972 -2.777) 3.944 5.868 ( -5.109 -3.460 -1.131) 6.273 5.901 ( -0.312 2.326 5.264) 5.763 6.044 ( -0.753 -1.854 1.709) 2.632 6.097 ( -0.996 -2.825 1.318) 3.273 6.247 ( -0.340 1.187 1.687) 2.090 6.506 ( 0.577 5.178 -5.508) 7.582 6.765 ( -2.931 1.924 -0.372) 3.525 6.875 ( -1.924 -4.504 -1.536) 5.133 7.145 ( -1.311 1.379 -0.604) 1.996 7.269 ( 0.070 4.248 -0.982) 4.361 7.412 ( 2.484 2.242 2.246) 4.030 7.547 ( 7.610 -2.364 -1.145) 8.051 7.610 ( -1.664 4.121 -1.925) 4.843 7.866 ( -4.006 -0.083 -4.940) 6.361 8.013 ( 3.156 -0.630 4.519) 5.548 8.094 ( -0.871 1.172 0.754) 1.643 8.176 ( 1.667 -3.504 -3.450) 5.192 8.285 ( -1.144 -0.066 2.975) 3.188 8.350 ( 0.026 -1.776 6.495) 6.734 8.427 ( 0.990 -0.634 2.613) 2.865 8.610 ( 0.655 3.236 -0.339) 3.319 8.722 ( 0.297 1.193 -3.011) 3.252 11.691 ( 0.080 -0.544 0.057) 0.553 11.798 ( 0.361 -0.900 -1.080) 1.452 11.838 ( -0.142 1.133 1.914) 2.229 11.882 ( -0.227 0.375 -0.455) 0.631 15.084 ( -0.139 -0.004 1.517) 1.523 15.200 ( -0.183 -5.893 -0.157) 5.898 15.389 ( -2.640 2.377 2.974) 4.633 15.492 ( -0.015 0.226 -0.831) 0.861 15.597 ( 0.416 0.258 2.166) 2.221 15.779 ( 2.303 4.626 0.377) 5.181 15.887 ( 0.965 0.651 -3.458) 3.648 15.925 ( 1.413 0.132 -3.700) 3.963 16.057 ( 1.229 -3.327 -0.127) 3.549 16.154 ( 2.791 -2.006 0.614) 3.492 16.252 ( -5.109 0.200 6.461) 8.239 16.446 ( -6.061 1.499 -0.318) 6.252 ======================= Grid point 69 (32/72) ======================= q-point: ( 0.57 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -0.607 -0.560 1.039) 1.328 1.046 ( -0.107 -1.107 -0.367) 1.171 1.359 ( 8.428 -4.019 2.872) 9.769 1.453 ( 3.681 -6.941 5.719) 9.717 1.662 ( -1.519 1.640 2.315) 3.218 1.740 ( -2.908 -2.550 0.652) 3.922 1.874 ( -1.613 1.301 -6.100) 6.443 1.914 ( -3.276 -9.209 13.055) 16.309 2.072 ( -3.228 2.374 0.409) 4.028 2.158 ( 4.512 3.243 -3.407) 6.518 2.278 ( 4.664 -1.741 -3.243) 5.941 2.311 ( 5.266 -0.157 -4.073) 6.659 2.387 ( 1.493 -1.166 -1.757) 2.584 2.433 ( -2.262 3.775 -1.134) 4.545 2.512 ( -3.423 4.630 1.391) 5.924 2.579 ( -4.153 4.170 -0.683) 5.925 2.737 ( 2.070 8.841 -0.608) 9.100 2.830 ( 2.482 3.062 -4.642) 6.089 2.937 ( 2.363 -3.329 -1.455) 4.334 3.032 ( -2.130 -0.835 3.390) 4.090 3.151 ( 1.326 -4.419 5.443) 7.135 3.251 ( 4.906 -6.335 2.237) 8.319 3.403 ( -6.645 -2.173 -0.246) 6.996 3.469 ( -1.703 2.609 2.288) 3.866 3.560 ( -2.041 -3.104 6.202) 7.229 3.748 ( -2.538 5.306 2.091) 6.242 3.825 ( -0.566 -1.348 0.220) 1.478 3.919 ( -3.437 -1.129 4.263) 5.591 3.942 ( 2.486 -1.340 0.825) 2.942 4.037 ( -0.611 -1.812 0.128) 1.917 4.105 ( -0.392 -0.939 -1.434) 1.758 4.180 ( 3.088 -0.909 -0.806) 3.318 4.214 ( -1.892 1.343 -5.741) 6.193 4.327 ( 4.532 0.714 -3.021) 5.493 4.355 ( 1.517 -2.292 -0.554) 2.804 4.444 ( -0.748 -1.987 2.236) 3.083 4.671 ( -2.473 0.955 -3.477) 4.372 4.710 ( 1.850 0.314 -2.129) 2.838 4.831 ( 2.022 -1.406 -3.633) 4.390 5.037 ( 0.643 2.780 -4.933) 5.699 5.229 ( 4.976 1.997 0.100) 5.362 5.264 ( 4.003 -1.183 1.083) 4.312 5.441 ( -7.468 1.396 -0.010) 7.598 5.504 ( -0.630 -0.062 1.987) 2.086 5.547 ( -1.919 -4.158 -1.917) 4.965 5.721 ( 3.248 -1.997 -1.251) 4.013 5.848 ( -3.543 0.411 0.239) 3.574 5.899 ( -2.494 -2.528 1.878) 4.017 6.060 ( -0.389 0.063 4.098) 4.117 6.113 ( -1.752 0.840 1.810) 2.655 6.261 ( 0.648 -3.327 -1.849) 3.861 6.418 ( 0.986 4.197 -4.248) 6.052 6.715 ( -1.517 0.987 1.241) 2.194 6.938 ( -0.841 -3.869 -3.006) 4.971 7.115 ( 2.357 3.297 0.246) 4.060 7.175 ( -1.992 3.948 1.214) 4.586 7.381 ( -0.581 2.182 0.349) 2.285 7.506 ( -0.301 3.213 -2.063) 3.830 7.672 ( 7.300 -1.892 -3.101) 8.154 7.814 ( -4.947 0.668 -3.904) 6.337 8.012 ( 1.966 3.054 0.467) 3.662 8.105 ( -1.699 -2.679 6.067) 6.847 8.226 ( 0.321 -0.576 -2.294) 2.387 8.299 ( 0.216 -1.539 3.328) 3.673 8.399 ( -0.198 -3.098 4.057) 5.108 8.453 ( 0.989 -0.507 1.731) 2.057 8.538 ( -0.347 4.081 0.621) 4.143 8.690 ( 0.240 2.111 -2.579) 3.341 11.707 ( 0.291 -1.010 0.423) 1.133 11.805 ( -0.709 0.754 0.151) 1.046 11.826 ( -0.059 -0.633 -0.157) 0.654 11.869 ( 0.532 1.127 -0.261) 1.273 15.106 ( 0.034 -2.029 2.123) 2.937 15.299 ( -1.261 -2.463 -1.845) 3.326 15.335 ( -0.336 -0.495 3.126) 3.183 15.482 ( 0.461 0.962 -0.900) 1.395 15.596 ( -0.070 0.492 2.815) 2.858 15.718 ( 0.583 3.578 1.385) 3.881 15.875 ( 0.500 0.812 -3.470) 3.599 15.914 ( 0.773 0.829 -3.478) 3.658 16.112 ( -0.883 -1.391 0.910) 1.882 16.228 ( 3.443 -0.897 -1.693) 3.941 16.236 ( -1.166 -3.047 4.198) 5.317 16.370 ( -4.199 1.328 -0.016) 4.404 ======================= Grid point 70 (33/72) ======================= q-point: (-0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -0.029 -0.881 1.374) 1.633 1.055 ( -0.056 -0.166 -0.555) 0.582 1.434 ( -1.269 -3.670 1.123) 4.042 1.587 ( -3.736 3.164 7.599) 9.040 1.615 ( 1.743 1.601 -2.699) 3.589 1.766 ( -3.156 -0.664 -2.241) 3.927 1.835 ( 6.115 -0.272 -4.090) 7.362 1.984 ( -1.695 -2.403 2.949) 4.164 2.122 ( 1.060 -6.474 7.833) 10.217 2.142 ( -1.341 1.049 -2.896) 3.360 2.218 ( 0.364 5.835 -3.007) 6.575 2.298 ( 0.259 4.902 -3.777) 6.194 2.395 ( 0.451 2.418 1.352) 2.807 2.402 ( -2.126 0.995 -0.153) 2.352 2.450 ( 0.947 -3.157 -4.900) 5.905 2.525 ( 0.825 -1.538 -0.024) 1.745 2.621 ( 2.046 4.456 -0.694) 4.952 2.803 ( 2.506 1.672 -6.418) 7.090 2.893 ( -3.658 8.351 6.486) 11.189 3.076 ( 2.450 -3.188 -1.806) 4.408 3.217 ( 1.287 3.101 3.391) 4.772 3.350 ( -3.460 -0.986 6.577) 7.497 3.398 ( -0.995 3.210 10.005) 10.555 3.425 ( -2.614 -9.048 -0.889) 9.460 3.624 ( -0.737 -3.973 5.134) 6.533 3.692 ( -0.199 0.122 1.917) 1.931 3.863 ( 0.284 -2.159 -0.669) 2.278 3.905 ( 1.856 1.843 3.415) 4.302 3.998 ( 1.613 -1.927 -0.944) 2.684 4.059 ( -1.761 -2.450 -0.286) 3.031 4.085 ( -3.743 0.051 -1.381) 3.990 4.202 ( 0.450 -0.272 -4.485) 4.516 4.219 ( 3.020 -0.416 -0.872) 3.171 4.320 ( 0.884 2.313 -1.550) 2.921 4.405 ( 1.201 -1.420 -1.445) 2.355 4.487 ( -1.370 -3.273 1.290) 3.775 4.621 ( -1.898 0.924 -1.425) 2.547 4.681 ( 2.327 4.021 -4.850) 6.716 4.869 ( 2.086 -0.646 -3.414) 4.052 4.972 ( -0.826 3.072 -4.111) 5.198 5.196 ( 0.040 3.924 0.179) 3.928 5.271 ( 0.002 2.423 -1.113) 2.666 5.420 ( 0.451 -2.350 1.586) 2.871 5.503 ( -0.801 -2.708 -0.407) 2.853 5.665 ( 0.896 -5.810 1.424) 6.049 5.768 ( 3.167 0.188 -2.780) 4.218 5.828 ( -2.402 -1.596 0.797) 2.991 5.934 ( -1.918 -3.037 3.135) 4.768 6.035 ( -1.100 2.667 5.044) 5.810 6.093 ( 0.573 -0.814 -2.333) 2.536 6.338 ( 0.963 -2.382 -2.901) 3.875 6.358 ( 0.351 1.726 -2.675) 3.203 6.715 ( -0.534 -1.805 2.812) 3.384 6.976 ( -0.471 0.423 -2.536) 2.614 7.054 ( 1.031 1.811 1.347) 2.481 7.132 ( 0.202 1.370 0.249) 1.407 7.349 ( -1.107 -0.331 -0.853) 1.437 7.475 ( 1.297 0.552 -3.399) 3.680 7.711 ( -1.817 2.416 -1.360) 3.315 7.774 ( 2.655 -0.265 -4.941) 5.615 7.971 ( 0.840 2.535 0.244) 2.682 8.133 ( -3.124 -1.110 2.091) 3.920 8.228 ( 0.392 -0.483 2.633) 2.706 8.324 ( -0.410 -0.199 5.551) 5.570 8.411 ( -1.468 2.763 2.768) 4.177 8.477 ( 1.612 -1.758 0.124) 2.388 8.517 ( 0.745 -1.982 0.883) 2.295 8.644 ( -0.480 2.514 -1.842) 3.154 11.732 ( 0.197 -1.216 0.770) 1.453 11.779 ( -0.448 1.251 0.885) 1.597 11.833 ( -0.430 0.279 -1.271) 1.371 11.861 ( 0.698 -0.085 -0.433) 0.826 15.159 ( 0.553 -3.087 2.498) 4.009 15.249 ( -1.233 2.943 1.453) 3.506 15.412 ( 0.136 -3.877 -1.240) 4.073 15.463 ( 0.691 1.535 -0.724) 1.833 15.584 ( -0.694 0.752 3.144) 3.307 15.667 ( -0.529 2.045 1.654) 2.683 15.863 ( 0.335 0.334 -3.487) 3.519 15.912 ( 0.681 -0.316 -3.612) 3.689 16.108 ( -0.843 0.252 1.405) 1.658 16.228 ( 1.409 1.393 -1.170) 2.301 16.304 ( -0.781 0.047 2.168) 2.305 16.363 ( -0.107 -5.149 0.051) 5.150 ======================= Grid point 71 (34/72) ======================= q-point: (-0.14 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -0.062 -0.011 0.171) 0.182 1.043 ( 0.955 2.176 -0.371) 2.405 1.381 ( -5.362 11.225 3.625) 12.957 1.399 ( 2.355 13.652 6.329) 15.231 1.576 ( -2.154 -2.008 -1.635) 3.368 1.757 ( 0.849 2.025 -1.760) 2.814 1.873 ( 5.906 2.804 -4.916) 8.180 2.031 ( 2.789 3.005 -7.618) 8.651 2.086 ( -5.938 -5.896 -0.372) 8.377 2.152 ( 0.291 4.872 -2.936) 5.696 2.222 ( 7.355 -2.287 0.608) 7.726 2.281 ( -4.203 -7.104 2.285) 8.565 2.339 ( -4.227 1.317 0.421) 4.447 2.442 ( 2.673 -2.017 2.117) 3.961 2.506 ( -0.442 -0.474 2.739) 2.814 2.560 ( -3.178 0.160 4.421) 5.447 2.591 ( 3.616 0.750 -1.989) 4.194 2.748 ( 3.510 0.820 6.072) 7.062 2.810 ( -0.240 -1.790 -6.572) 6.815 3.100 ( 1.083 5.973 1.398) 6.229 3.132 ( 0.767 1.413 1.305) 2.071 3.282 ( -4.632 5.393 8.989) 11.460 3.412 ( -0.776 -2.753 3.365) 4.417 3.534 ( -2.228 -4.841 0.062) 5.330 3.675 ( -0.798 0.826 3.988) 4.151 3.721 ( -0.682 -4.683 4.578) 6.584 3.890 ( 2.240 2.392 2.770) 4.290 3.907 ( 4.321 -0.434 -1.624) 4.637 4.023 ( -0.769 0.018 -3.263) 3.352 4.059 ( -1.059 -0.626 -2.106) 2.438 4.098 ( -1.848 -2.686 0.340) 3.278 4.192 ( -0.354 0.202 -1.973) 2.014 4.235 ( 1.834 3.552 -4.461) 5.990 4.273 ( -2.809 -0.681 2.365) 3.735 4.397 ( 0.274 2.541 -2.066) 3.286 4.501 ( -1.359 1.907 -0.538) 2.403 4.630 ( 1.035 -0.007 0.825) 1.323 4.652 ( 2.413 -2.796 -6.457) 7.438 4.863 ( -0.422 1.547 -3.905) 4.221 4.938 ( 1.734 0.097 -2.991) 3.458 5.120 ( -0.168 3.655 -0.171) 3.662 5.225 ( -0.649 1.475 -2.741) 3.179 5.466 ( 0.185 -1.040 2.409) 2.630 5.567 ( 2.115 -2.684 1.290) 3.652 5.712 ( -4.445 -2.051 -1.358) 5.080 5.794 ( -0.343 -1.091 -1.488) 1.876 5.881 ( 2.063 -3.593 1.743) 4.495 5.950 ( -3.059 -0.666 6.316) 7.049 6.012 ( 2.382 0.043 1.859) 3.022 6.136 ( -0.768 -3.571 -2.502) 4.427 6.282 ( 1.089 4.766 -1.688) 5.172 6.405 ( 0.018 -2.588 -3.292) 4.187 6.777 ( -0.164 -4.400 3.665) 5.729 6.926 ( -2.007 0.917 0.841) 2.361 7.083 ( -0.816 -1.925 -2.444) 3.216 7.115 ( 3.696 1.445 -0.030) 3.968 7.375 ( 0.910 -2.642 -2.784) 3.945 7.485 ( 0.746 -0.188 -4.565) 4.630 7.616 ( -4.654 2.970 -0.223) 5.526 7.803 ( 4.870 0.769 -2.807) 5.673 7.946 ( 1.437 1.145 0.654) 1.950 8.088 ( -2.636 2.456 -2.183) 4.213 8.258 ( -0.557 -1.580 4.516) 4.817 8.308 ( -2.695 0.603 5.681) 6.317 8.377 ( 1.742 1.307 5.903) 6.292 8.491 ( -0.027 1.381 1.633) 2.139 8.572 ( 0.256 -0.208 -2.664) 2.684 8.610 ( -0.122 -2.166 -0.588) 2.247 11.738 ( -0.807 0.666 0.308) 1.091 11.774 ( 0.621 -0.839 1.392) 1.740 11.814 ( 0.606 1.353 -0.430) 1.543 11.875 ( -0.389 -1.221 -1.370) 1.876 15.179 ( -0.763 2.801 1.386) 3.217 15.243 ( 0.689 -4.081 2.738) 4.963 15.409 ( 0.535 3.496 -1.390) 3.800 15.477 ( -0.270 -1.989 -1.731) 2.651 15.569 ( -1.001 0.269 3.368) 3.524 15.644 ( -0.211 0.405 2.648) 2.687 15.861 ( 0.362 -0.194 -3.517) 3.541 15.922 ( -0.044 -0.676 -4.116) 4.171 16.106 ( 1.436 0.446 0.772) 1.690 16.194 ( 1.158 3.387 -2.391) 4.305 16.295 ( -2.393 -1.076 5.160) 5.789 16.473 ( -0.726 -6.227 -0.491) 6.289 ======================= Grid point 75 (35/72) ======================= q-point: ( 0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -0.611 -0.000 -0.472) 0.771 1.009 ( 4.090 0.000 0.766) 4.161 1.298 ( 11.487 0.000 5.813) 12.874 1.323 ( 2.923 0.000 22.128) 22.320 1.542 ( -6.301 -0.000 2.450) 6.760 1.740 ( -8.116 -0.000 -0.094) 8.116 1.853 ( 1.400 0.000 -0.989) 1.714 1.951 ( -2.721 -0.000 -7.966) 8.417 2.042 ( 6.744 0.000 -4.276) 7.985 2.151 ( 8.194 0.000 3.075) 8.752 2.155 ( 10.182 0.000 -0.835) 10.216 2.379 ( -4.366 -0.000 -2.425) 4.994 2.411 ( 3.240 0.000 -4.973) 5.936 2.508 ( -4.906 -0.000 3.634) 6.105 2.589 ( -6.842 -0.000 0.298) 6.848 2.669 ( -0.076 -0.000 11.581) 11.582 2.844 ( 0.086 0.000 0.717) 0.722 2.869 ( -2.227 -0.000 0.819) 2.373 2.887 ( 1.115 0.000 -1.835) 2.147 3.064 ( 0.519 0.000 -0.794) 0.949 3.115 ( 1.040 0.000 -1.693) 1.986 3.129 ( -2.067 -0.000 -4.402) 4.863 3.250 ( -0.557 -0.000 -0.423) 0.699 3.499 ( -2.402 -0.000 7.728) 8.093 3.526 ( 1.008 0.000 -8.828) 8.885 3.800 ( -0.055 -0.000 1.137) 1.138 3.899 ( -5.090 -0.000 -2.007) 5.472 3.938 ( 0.836 0.000 2.175) 2.330 3.940 ( 1.879 0.000 6.952) 7.202 3.969 ( -1.900 -0.000 7.514) 7.751 4.090 ( 1.921 0.000 -3.383) 3.891 4.123 ( 1.944 0.000 -4.816) 5.193 4.275 ( 2.444 0.000 4.968) 5.537 4.317 ( -0.817 -0.000 -7.798) 7.840 4.320 ( -1.041 -0.000 -3.299) 3.460 4.467 ( 0.702 0.000 -2.952) 3.034 4.500 ( -1.165 -0.000 2.577) 2.828 4.741 ( 1.702 0.000 -0.764) 1.866 4.815 ( 3.060 0.000 -5.973) 6.711 5.095 ( 1.832 0.000 -5.272) 5.581 5.219 ( 3.862 0.000 1.600) 4.180 5.276 ( 6.470 0.000 0.267) 6.475 5.452 ( 3.502 0.000 2.524) 4.317 5.454 ( -7.219 -0.000 0.307) 7.226 5.547 ( -9.263 -0.000 -1.094) 9.327 5.699 ( -0.497 -0.000 -1.716) 1.786 5.792 ( -3.150 -0.000 0.989) 3.302 5.944 ( -0.124 -0.000 8.508) 8.509 6.008 ( -0.377 -0.000 -2.164) 2.197 6.064 ( -0.154 -0.000 -0.012) 0.155 6.251 ( -1.918 -0.000 1.473) 2.419 6.566 ( 1.093 0.000 -6.264) 6.359 6.762 ( -1.831 -0.000 -1.156) 2.165 6.805 ( -1.138 -0.000 -0.449) 1.223 7.137 ( -1.604 -0.000 -0.293) 1.631 7.303 ( 0.201 0.000 -5.271) 5.275 7.491 ( 3.320 0.000 4.764) 5.807 7.581 ( 7.588 0.000 -1.741) 7.785 7.622 ( -4.708 -0.000 0.103) 4.710 7.812 ( -6.036 -0.000 -2.773) 6.642 8.006 ( -0.297 -0.000 4.040) 4.051 8.116 ( 1.587 0.000 1.057) 1.907 8.175 ( 4.382 0.000 -4.657) 6.394 8.275 ( -1.512 -0.000 2.306) 2.758 8.335 ( -0.953 -0.000 7.323) 7.384 8.434 ( 0.920 0.000 2.054) 2.251 8.649 ( 0.705 0.000 -0.774) 1.047 8.731 ( 0.277 0.000 -3.380) 3.391 11.689 ( 0.411 0.000 0.307) 0.513 11.789 ( -0.198 -0.000 -1.483) 1.496 11.850 ( -0.463 -0.000 1.654) 1.717 11.884 ( 0.310 0.000 0.172) 0.355 15.108 ( 0.341 0.000 0.655) 0.738 15.122 ( -0.308 -0.000 1.654) 1.683 15.390 ( -2.424 -0.000 2.868) 3.755 15.492 ( 0.044 0.000 -0.660) 0.662 15.605 ( 0.261 0.000 1.984) 2.002 15.851 ( 0.912 0.000 -2.338) 2.510 15.901 ( 0.779 0.000 -3.181) 3.275 15.932 ( 2.253 0.000 -3.083) 3.818 16.041 ( 2.298 0.000 1.539) 2.766 16.155 ( 1.515 0.000 1.183) 1.923 16.208 ( -5.128 -0.000 5.915) 7.828 16.413 ( -3.908 -0.000 -1.022) 4.039 ======================= Grid point 76 (36/72) ======================= q-point: (-0.43 -0.57 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.400 -0.201 0.373) 0.583 1.033 ( 0.378 -0.100 -1.158) 1.222 1.332 ( 0.754 -3.413 11.544) 12.062 1.458 ( -0.853 3.410 -2.829) 4.512 1.530 ( -8.506 -9.735 14.281) 19.263 1.681 ( 1.475 -1.241 7.016) 7.276 1.834 ( 0.318 2.433 -4.121) 4.796 1.922 ( 0.883 0.401 -1.859) 2.097 2.057 ( -0.472 -0.680 -4.872) 4.942 2.232 ( 3.727 0.981 -2.531) 4.611 2.292 ( 9.098 -2.605 -2.569) 9.806 2.340 ( -4.640 -1.794 -0.177) 4.978 2.397 ( -0.289 1.901 -2.324) 3.016 2.456 ( -0.516 2.084 2.097) 3.001 2.525 ( -3.748 0.988 0.364) 3.893 2.655 ( -0.855 4.387 4.443) 6.302 2.849 ( 2.231 -0.294 4.384) 4.928 2.857 ( -3.542 0.582 -3.836) 5.253 2.907 ( 1.250 -1.393 -1.437) 2.359 3.019 ( -0.377 2.767 -0.855) 2.920 3.101 ( -0.853 -1.707 2.105) 2.841 3.150 ( -1.038 -3.259 -2.988) 4.542 3.326 ( 3.113 -4.367 -0.393) 5.377 3.482 ( -1.789 1.064 -0.257) 2.097 3.519 ( -0.933 -0.826 3.948) 4.140 3.787 ( -1.479 1.081 0.580) 1.921 3.878 ( -1.254 0.913 -0.395) 1.601 3.886 ( -2.208 3.756 3.659) 5.690 3.951 ( 2.913 0.342 4.818) 5.640 3.991 ( -0.219 -2.820 1.747) 3.324 4.094 ( -0.933 0.321 -2.901) 3.065 4.153 ( 0.979 -2.184 -1.323) 2.735 4.238 ( -0.408 2.181 -4.167) 4.721 4.334 ( 1.757 -1.853 0.392) 2.583 4.360 ( 1.764 -1.569 -1.588) 2.845 4.439 ( 1.628 1.370 1.718) 2.735 4.576 ( -2.918 -5.981 -4.983) 8.314 4.745 ( 2.040 1.234 -0.129) 2.388 4.836 ( 2.577 -0.177 -4.284) 5.002 5.079 ( 0.050 1.995 -5.596) 5.942 5.271 ( 3.043 -1.210 3.606) 4.871 5.301 ( 0.907 0.954 0.775) 1.528 5.396 ( -3.027 -0.004 -1.677) 3.461 5.450 ( -7.885 0.630 -3.633) 8.704 5.529 ( 6.377 -2.217 2.395) 7.163 5.724 ( 4.080 -1.034 -0.217) 4.214 5.785 ( -3.241 -1.471 0.532) 3.599 5.910 ( 0.103 2.621 3.800) 4.618 6.040 ( -0.191 -1.990 2.688) 3.350 6.087 ( -0.689 -2.064 0.282) 2.194 6.228 ( -1.705 -0.074 -0.329) 1.738 6.513 ( 1.467 4.961 -4.780) 7.044 6.733 ( -0.450 1.560 -0.142) 1.630 6.850 ( -0.338 -4.392 -1.985) 4.831 7.135 ( 0.601 -0.614 -0.364) 0.933 7.257 ( -0.845 4.366 -2.455) 5.079 7.459 ( 1.413 5.021 1.089) 5.328 7.546 ( -3.304 2.771 0.520) 4.344 7.678 ( 3.898 -3.741 -2.734) 6.055 7.766 ( -3.939 -0.115 -1.636) 4.267 8.034 ( -1.975 -2.798 1.884) 3.909 8.098 ( 2.551 3.594 1.659) 4.709 8.221 ( 2.382 -0.693 -1.105) 2.716 8.270 ( -0.934 -1.200 2.053) 2.555 8.356 ( -1.246 -2.120 5.919) 6.410 8.448 ( 0.468 -0.672 1.836) 2.011 8.618 ( 0.396 3.547 -0.297) 3.581 8.719 ( 0.261 1.154 -3.261) 3.469 11.699 ( 0.627 -0.485 0.605) 0.997 11.790 ( -0.728 -0.682 -1.839) 2.092 11.836 ( -0.634 0.944 1.482) 1.869 11.888 ( 0.766 0.326 0.257) 0.871 15.090 ( 0.296 -0.016 2.077) 2.098 15.196 ( -0.187 -5.472 -0.319) 5.484 15.360 ( -1.380 1.637 2.703) 3.448 15.493 ( 0.292 0.002 -0.629) 0.693 15.606 ( -0.018 0.342 2.312) 2.337 15.800 ( 0.042 4.645 -0.413) 4.664 15.892 ( 0.419 0.919 -3.174) 3.331 15.935 ( 0.736 0.822 -4.341) 4.479 16.087 ( 1.307 -1.269 2.592) 3.168 16.178 ( -1.439 -2.204 4.400) 5.128 16.205 ( -1.058 -2.716 0.107) 2.916 16.378 ( -0.072 1.604 -0.920) 1.851 ======================= Grid point 77 (37/72) ======================= q-point: (-0.29 -0.57 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 0.806 -0.419 1.337) 1.616 1.036 ( -0.987 -1.106 -0.639) 1.614 1.334 ( -12.738 -2.265 -0.240) 12.940 1.442 ( -4.320 -7.316 3.401) 9.152 1.628 ( 1.967 -4.138 6.810) 8.208 1.756 ( -1.499 3.970 -1.740) 4.586 1.845 ( 0.694 -7.206 4.558) 8.555 1.959 ( 1.849 -3.242 5.000) 6.239 2.031 ( 2.493 3.599 -1.740) 4.711 2.206 ( 2.431 1.969 -6.100) 6.855 2.292 ( -7.140 2.528 -1.986) 7.831 2.357 ( 2.224 -1.188 0.507) 2.572 2.404 ( 1.537 -0.658 -2.817) 3.276 2.450 ( 3.161 3.711 3.340) 5.909 2.483 ( -0.054 0.902 0.589) 1.079 2.529 ( 0.515 5.664 -3.306) 6.579 2.768 ( 1.024 7.541 -0.815) 7.653 2.807 ( -3.153 1.746 -4.460) 5.734 2.959 ( -1.139 -1.465 0.934) 2.077 3.025 ( 0.787 -3.089 0.517) 3.229 3.162 ( -6.126 -4.412 2.679) 8.011 3.214 ( -0.438 -5.675 3.959) 6.933 3.396 ( 2.821 0.566 -0.050) 2.877 3.449 ( -1.097 0.990 2.718) 3.093 3.564 ( 0.873 -3.416 6.470) 7.368 3.719 ( -0.593 3.752 0.770) 3.876 3.844 ( 2.214 -1.703 -1.569) 3.204 3.896 ( -0.841 -1.543 6.172) 6.418 3.995 ( 2.197 -1.289 0.788) 2.666 4.016 ( -0.908 -0.812 -2.087) 2.416 4.070 ( -1.967 0.926 -0.926) 2.363 4.181 ( -0.004 -1.438 -2.943) 3.276 4.234 ( 2.014 -0.831 -2.004) 2.961 4.354 ( -0.948 0.727 0.024) 1.195 4.384 ( 1.323 0.182 -4.499) 4.693 4.462 ( 2.315 -1.472 6.074) 6.665 4.604 ( -3.395 -0.707 -4.464) 5.653 4.739 ( 1.649 1.266 -3.125) 3.753 4.866 ( 2.296 -1.219 -2.619) 3.690 5.014 ( -1.567 3.333 -5.395) 6.532 5.228 ( -5.503 1.719 0.299) 5.773 5.316 ( -0.087 1.883 1.509) 2.415 5.413 ( -0.228 -2.532 -0.917) 2.702 5.424 ( 3.540 -2.032 -0.840) 4.167 5.624 ( 3.784 -1.831 0.588) 4.245 5.779 ( 1.207 -1.010 1.484) 2.163 5.788 ( 0.902 -1.369 -1.477) 2.207 5.894 ( 0.877 -0.193 1.878) 2.082 6.052 ( -1.929 0.736 2.822) 3.496 6.100 ( 0.483 -0.183 1.278) 1.379 6.257 ( -0.565 -4.204 -1.559) 4.520 6.432 ( 1.526 4.527 -3.769) 6.085 6.710 ( 0.560 0.778 1.700) 1.951 6.926 ( 0.408 -3.931 -3.451) 5.247 7.134 ( -2.703 6.240 1.123) 6.892 7.169 ( 3.754 -0.267 0.432) 3.788 7.372 ( -0.828 3.604 -0.310) 3.711 7.493 ( -0.394 1.279 -2.072) 2.467 7.707 ( -5.725 0.393 -2.012) 6.081 7.780 ( 5.163 -1.715 -4.196) 6.871 8.022 ( -2.298 1.995 -1.221) 3.279 8.089 ( 0.716 -0.447 4.828) 4.902 8.221 ( -1.215 0.032 1.576) 1.990 8.312 ( 0.177 -1.634 3.615) 3.971 8.389 ( -1.597 -2.126 2.422) 3.597 8.472 ( 0.315 -1.263 1.478) 1.969 8.552 ( 1.491 3.574 1.233) 4.064 8.684 ( -0.138 2.345 -2.732) 3.603 11.718 ( 0.626 -0.838 0.890) 1.374 11.789 ( -0.860 0.065 -0.893) 1.242 11.818 ( -0.738 0.087 0.165) 0.761 11.884 ( 0.971 0.971 0.014) 1.373 15.119 ( 0.646 -2.145 2.667) 3.483 15.273 ( -0.874 -0.930 -1.484) 1.957 15.341 ( 0.115 -2.153 2.098) 3.008 15.492 ( 0.751 0.689 -0.607) 1.186 15.597 ( -0.550 0.810 2.742) 2.912 15.711 ( -1.530 3.779 1.041) 4.208 15.874 ( 0.346 0.833 -3.210) 3.334 15.918 ( 0.640 0.832 -4.002) 4.137 16.100 ( -0.808 -0.446 1.888) 2.101 16.209 ( -2.356 -1.988 1.194) 3.306 16.277 ( 1.016 -4.436 0.761) 4.614 16.354 ( 3.410 2.650 0.016) 4.319 ======================= Grid point 78 (38/72) ======================= q-point: (-0.14 -0.57 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.349 -0.302 1.055) 1.152 1.055 ( 0.165 -1.126 -0.854) 1.422 1.363 ( -6.859 -8.927 1.731) 11.390 1.494 ( -3.791 -1.808 3.616) 5.542 1.620 ( -2.275 7.959 -0.370) 8.286 1.738 ( 2.997 -3.675 0.124) 4.744 1.906 ( -2.119 -1.142 -0.993) 2.604 2.014 ( 0.799 -0.941 -0.662) 1.401 2.065 ( 1.728 -1.513 4.817) 5.336 2.170 ( 0.027 0.800 -4.307) 4.380 2.227 ( -0.971 -0.872 -7.647) 7.758 2.289 ( -0.838 5.495 -5.681) 7.948 2.352 ( 3.656 7.202 2.526) 8.463 2.436 ( 1.673 -1.731 1.928) 3.084 2.494 ( 2.683 0.103 -0.239) 2.696 2.559 ( 1.042 -2.777 5.840) 6.550 2.646 ( -0.414 5.269 -0.481) 5.307 2.759 ( -3.457 -0.369 -3.318) 4.806 2.919 ( 4.004 6.247 -2.266) 7.758 3.102 ( -0.564 -3.708 1.683) 4.110 3.141 ( -9.938 -3.150 2.628) 10.752 3.320 ( 1.670 -0.732 6.085) 6.353 3.352 ( -2.722 1.440 6.173) 6.899 3.447 ( 0.363 -1.077 3.872) 4.035 3.639 ( 0.791 -2.403 5.231) 5.811 3.701 ( 0.145 -0.669 2.283) 2.383 3.899 ( 3.319 -0.885 0.551) 3.479 3.955 ( 1.296 -2.922 -0.008) 3.197 4.007 ( -3.743 -1.150 -1.575) 4.221 4.019 ( 0.453 -0.055 -3.124) 3.157 4.057 ( 3.215 0.033 0.869) 3.331 4.189 ( -0.553 0.415 -1.334) 1.503 4.264 ( 0.734 -0.246 -1.536) 1.720 4.303 ( -1.092 2.965 -1.917) 3.696 4.394 ( -1.289 -1.778 -3.958) 4.526 4.509 ( 1.935 -0.119 5.833) 6.147 4.589 ( -0.384 -2.053 -3.756) 4.298 4.704 ( 0.932 3.352 -4.454) 5.652 4.888 ( 0.537 1.474 -3.389) 3.735 4.944 ( -0.780 0.548 -3.988) 4.100 5.158 ( -2.815 1.650 0.688) 3.335 5.263 ( -0.289 2.623 -1.694) 3.135 5.458 ( 0.936 -1.646 1.371) 2.338 5.521 ( 3.914 -3.532 0.223) 5.277 5.641 ( -3.187 -0.374 -1.335) 3.475 5.795 ( -0.200 0.560 1.184) 1.325 5.845 ( 3.620 -2.904 0.241) 4.647 5.923 ( 0.118 -0.907 3.407) 3.528 6.019 ( -1.591 -0.496 1.314) 2.123 6.108 ( 1.378 0.824 -0.816) 1.801 6.335 ( -0.891 -4.502 -1.805) 4.932 6.367 ( 1.525 3.810 -3.175) 5.189 6.730 ( 1.389 -1.751 3.368) 4.042 6.944 ( -2.515 2.489 -1.453) 3.825 7.046 ( -0.422 -0.313 -1.036) 1.162 7.186 ( 3.247 2.112 1.839) 4.288 7.352 ( 2.212 -0.840 -3.241) 4.013 7.482 ( 0.148 -0.243 -2.265) 2.283 7.623 ( -4.704 2.551 -1.932) 5.689 7.841 ( 3.615 -0.882 -4.138) 5.565 7.963 ( -2.746 1.196 0.126) 2.998 8.095 ( -0.151 0.718 2.862) 2.955 8.225 ( -1.511 -1.450 2.936) 3.606 8.312 ( -1.479 1.072 4.143) 4.528 8.406 ( -0.124 -0.466 2.399) 2.447 8.495 ( -0.169 -0.748 1.354) 1.556 8.556 ( 2.729 -1.533 1.080) 3.311 8.624 ( -1.040 3.314 -2.076) 4.047 11.737 ( 0.186 -0.436 0.992) 1.099 11.774 ( -0.318 0.417 0.645) 0.831 11.821 ( -0.488 -0.814 -1.177) 1.512 11.871 ( 0.628 1.057 -0.515) 1.333 15.180 ( 0.831 -3.389 2.922) 4.551 15.230 ( -1.043 2.961 0.825) 3.246 15.413 ( 0.201 -3.636 -1.218) 3.839 15.475 ( 0.810 2.027 -1.000) 2.401 15.576 ( -0.944 0.877 3.204) 3.453 15.654 ( -1.160 1.207 2.085) 2.674 15.863 ( 0.619 0.394 -3.515) 3.591 15.910 ( 0.196 0.041 -3.369) 3.375 16.111 ( 0.609 -0.911 0.981) 1.471 16.209 ( -2.583 -0.544 -0.612) 2.710 16.320 ( 1.398 2.190 2.054) 3.312 16.377 ( 1.635 -3.316 -0.120) 3.699 ======================= Grid point 83 (39/72) ======================= q-point: (-0.43 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 1.540 0.000 -0.021) 1.540 1.033 ( -1.460 -0.000 -1.173) 1.873 1.299 ( -13.141 -0.000 5.784) 14.357 1.330 ( -9.757 -0.000 23.388) 25.342 1.496 ( 2.564 0.000 -0.955) 2.736 1.732 ( 6.596 0.000 0.227) 6.600 1.876 ( 1.258 0.000 1.199) 1.738 1.898 ( -0.063 -0.000 -6.845) 6.845 2.036 ( -6.001 -0.000 -0.778) 6.051 2.165 ( -13.689 -0.000 3.123) 14.040 2.278 ( 3.674 0.000 -4.610) 5.895 2.365 ( 8.876 0.000 -3.851) 9.675 2.368 ( -7.843 -0.000 2.744) 8.309 2.515 ( 4.834 0.000 -0.889) 4.916 2.527 ( 2.128 0.000 0.378) 2.161 2.699 ( -0.624 -0.000 7.997) 8.021 2.812 ( -2.619 -0.000 -2.567) 3.667 2.862 ( 1.353 0.000 3.063) 3.349 2.894 ( 0.122 0.000 -0.200) 0.234 3.069 ( -1.560 -0.000 -4.608) 4.865 3.070 ( 0.199 0.000 0.169) 0.261 3.130 ( 0.897 0.000 -1.837) 2.044 3.320 ( 6.248 0.000 -0.633) 6.280 3.486 ( -1.049 -0.000 8.022) 8.090 3.506 ( -0.715 -0.000 -7.924) 7.956 3.797 ( -0.789 -0.000 1.835) 1.997 3.826 ( -2.101 -0.000 -0.921) 2.294 3.938 ( -1.881 -0.000 -0.012) 1.881 3.967 ( -0.391 -0.000 8.607) 8.616 3.994 ( 1.456 0.000 2.372) 2.783 4.069 ( -2.328 -0.000 -4.725) 5.268 4.142 ( 1.377 0.000 -2.829) 3.146 4.287 ( -1.555 -0.000 0.844) 1.770 4.312 ( 2.077 0.000 -6.487) 6.811 4.323 ( 2.139 0.000 2.416) 3.227 4.462 ( -3.636 -0.000 1.698) 4.013 4.505 ( 3.776 0.000 -2.582) 4.575 4.775 ( 1.414 0.000 -1.617) 2.148 4.850 ( 2.003 0.000 -4.457) 4.886 5.089 ( -0.766 -0.000 -5.106) 5.163 5.263 ( -7.101 -0.000 -1.171) 7.197 5.297 ( 4.067 0.000 5.510) 6.848 5.380 ( -8.061 -0.000 -2.348) 8.396 5.410 ( 3.405 0.000 -0.287) 3.417 5.570 ( 7.606 0.000 -0.076) 7.606 5.763 ( 6.316 0.000 -0.189) 6.319 5.766 ( 0.245 0.000 2.380) 2.393 5.962 ( -0.060 -0.000 7.339) 7.339 6.002 ( 0.315 0.000 -1.539) 1.571 6.065 ( 0.338 0.000 -0.324) 0.468 6.207 ( -2.924 -0.000 0.055) 2.925 6.576 ( 1.601 0.000 -5.740) 5.959 6.753 ( 1.031 0.000 -0.584) 1.185 6.799 ( 0.668 0.000 -0.907) 1.126 7.131 ( 0.951 0.000 -0.517) 1.083 7.289 ( -0.542 -0.000 -5.112) 5.140 7.527 ( -4.621 -0.000 2.012) 5.040 7.561 ( 2.536 0.000 1.453) 2.923 7.590 ( -7.547 -0.000 -1.817) 7.763 7.763 ( 2.606 0.000 -0.881) 2.751 8.001 ( -0.082 -0.000 -1.331) 1.334 8.165 ( 2.453 0.000 4.279) 4.933 8.241 ( 3.025 0.000 -1.986) 3.619 8.252 ( -1.082 -0.000 1.076) 1.526 8.319 ( -2.705 -0.000 6.973) 7.479 8.445 ( 0.033 0.000 2.512) 2.512 8.653 ( -0.058 -0.000 -0.766) 0.768 8.728 ( 0.375 0.000 -3.423) 3.443 11.702 ( 0.875 0.000 0.861) 1.228 11.774 ( -0.785 -0.000 -1.958) 2.109 11.840 ( -1.030 -0.000 1.197) 1.579 11.898 ( 0.930 0.000 0.584) 1.099 15.116 ( -0.685 -0.000 1.254) 1.429 15.121 ( 0.764 0.000 1.253) 1.467 15.367 ( -0.972 -0.000 2.577) 2.754 15.493 ( 0.292 0.000 -0.684) 0.744 15.612 ( -0.104 -0.000 2.173) 2.175 15.852 ( -0.170 -0.000 -2.440) 2.446 15.900 ( 0.021 0.000 -2.796) 2.796 15.937 ( -0.263 -0.000 -5.066) 5.072 16.113 ( 3.813 0.000 5.464) 6.663 16.139 ( -3.193 -0.000 0.182) 3.199 16.147 ( -2.448 -0.000 4.644) 5.250 16.411 ( 3.761 0.000 -1.039) 3.901 ======================= Grid point 84 (40/72) ======================= q-point: (-0.29 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -1.608 0.053 1.476) 2.184 1.003 ( -2.087 -0.131 0.848) 2.257 1.146 ( -20.146 0.148 3.652) 20.475 1.310 ( -6.684 -4.048 13.304) 15.429 1.551 ( 0.191 -3.950 -0.188) 3.959 1.776 ( 2.362 -1.988 -1.088) 3.274 1.856 ( 2.983 3.924 2.477) 5.517 1.935 ( 1.270 -1.320 0.324) 1.860 1.999 ( -12.974 -9.488 4.274) 16.631 2.175 ( -1.838 -3.668 -1.249) 4.289 2.256 ( -1.604 1.547 -4.568) 5.083 2.304 ( -1.593 1.558 2.099) 3.062 2.415 ( 4.049 0.760 -3.396) 5.339 2.533 ( 3.256 1.841 2.439) 4.465 2.544 ( 3.219 1.287 -0.643) 3.526 2.643 ( -1.384 5.646 2.129) 6.190 2.790 ( -1.295 1.134 -2.984) 3.445 2.875 ( -1.461 0.988 3.698) 4.097 2.910 ( 0.297 -0.538 -3.152) 3.212 3.019 ( 0.793 2.561 -2.187) 3.460 3.086 ( -0.826 -2.961 4.633) 5.560 3.154 ( 0.673 -1.603 -0.399) 1.784 3.393 ( 2.849 -1.684 -3.707) 4.969 3.452 ( -0.689 1.007 -1.692) 2.086 3.530 ( 1.052 -2.625 5.367) 6.067 3.774 ( 0.414 0.913 0.583) 1.160 3.850 ( -2.301 3.276 1.808) 4.392 3.874 ( 0.602 -2.489 0.151) 2.565 3.982 ( -0.699 -1.502 1.391) 2.163 4.022 ( 1.958 0.800 1.614) 2.661 4.045 ( -2.022 -1.241 -2.707) 3.600 4.157 ( 0.589 -0.258 -1.655) 1.776 4.232 ( -0.444 0.304 -1.851) 1.928 4.356 ( -0.220 0.095 -1.301) 1.323 4.378 ( 1.570 -1.601 3.248) 3.947 4.472 ( -0.050 -2.983 -1.130) 3.190 4.534 ( 0.976 -1.106 -2.531) 2.929 4.764 ( -0.023 1.066 -2.713) 2.915 4.864 ( 1.410 -0.541 -3.580) 3.885 5.048 ( -1.902 2.473 -4.576) 5.538 5.191 ( -5.826 0.875 -1.254) 6.023 5.312 ( -4.876 0.103 -2.046) 5.289 5.368 ( 4.285 -2.159 5.049) 6.965 5.457 ( 3.933 -1.305 0.386) 4.162 5.633 ( 3.509 -0.359 -0.990) 3.664 5.785 ( 3.221 0.043 3.070) 4.450 5.817 ( 5.824 0.331 -0.438) 5.850 5.929 ( 1.356 2.037 1.702) 2.981 6.052 ( 0.574 -0.707 2.189) 2.371 6.072 ( -0.761 -1.935 0.771) 2.217 6.193 ( -1.822 -1.607 -0.253) 2.443 6.531 ( 1.745 4.738 -4.318) 6.644 6.748 ( 2.017 1.699 0.356) 2.661 6.856 ( 1.654 -4.025 -2.243) 4.896 7.168 ( 2.931 -2.061 0.191) 3.588 7.224 ( -2.213 4.770 -2.387) 5.775 7.428 ( -4.947 4.174 1.007) 6.550 7.508 ( -1.740 0.959 -2.667) 3.326 7.627 ( -3.088 -2.872 0.654) 4.268 7.793 ( 2.608 -0.773 -2.814) 3.914 7.997 ( -1.827 0.302 -3.771) 4.201 8.158 ( 2.965 2.775 5.308) 6.683 8.220 ( -2.309 1.424 1.826) 3.270 8.283 ( 1.286 -2.267 1.706) 3.115 8.336 ( -2.163 -2.285 4.000) 5.089 8.457 ( 0.436 -0.569 3.224) 3.303 8.621 ( -0.172 2.820 -0.276) 2.839 8.715 ( 0.217 1.341 -3.056) 3.344 11.715 ( 0.906 -0.368 1.035) 1.424 11.771 ( -0.757 -0.589 -1.935) 2.160 11.823 ( -1.128 0.755 1.100) 1.747 11.905 ( 0.936 0.343 0.284) 1.037 15.101 ( 0.244 -0.489 2.143) 2.211 15.196 ( 0.371 -5.105 -0.602) 5.153 15.350 ( -0.542 1.323 2.610) 2.976 15.499 ( 0.591 -0.282 -0.598) 0.887 15.608 ( -0.360 0.513 2.333) 2.415 15.780 ( -2.009 5.263 -0.455) 5.652 15.887 ( -0.064 0.770 -2.815) 2.919 15.930 ( 0.114 0.148 -5.346) 5.349 16.089 ( -1.747 0.263 1.992) 2.662 16.147 ( -3.040 -2.137 1.143) 3.888 16.223 ( 3.645 -3.532 5.648) 7.594 16.438 ( 5.782 1.659 -0.479) 6.034 ======================= Grid point 85 (41/72) ======================= q-point: (-0.14 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -4.753 -5.472 1.108) 7.332 1.007 ( -0.325 -0.829 0.113) 0.897 1.077 ( -10.948 -8.499 2.426) 14.070 1.373 ( -4.761 -6.459 7.965) 11.306 1.624 ( -2.016 -3.898 -1.980) 4.815 1.787 ( 3.916 1.986 0.454) 4.414 1.853 ( -2.108 -1.703 -1.026) 2.898 1.955 ( -0.030 -0.753 0.434) 0.870 2.109 ( 1.512 -4.133 6.074) 7.501 2.129 ( -8.046 0.217 -2.445) 8.412 2.222 ( 0.464 1.632 -8.055) 8.232 2.372 ( 0.211 -5.767 3.297) 6.646 2.427 ( 3.030 1.621 -0.838) 3.537 2.496 ( 0.301 3.591 0.157) 3.607 2.516 ( 2.748 3.868 5.204) 7.043 2.537 ( -1.394 1.943 0.821) 2.529 2.731 ( -2.570 2.974 -2.868) 4.866 2.754 ( -3.230 7.444 0.224) 8.117 2.918 ( -0.322 -0.735 -5.240) 5.301 3.031 ( -0.587 -2.342 1.702) 2.954 3.092 ( -2.061 1.740 2.592) 3.741 3.239 ( -0.330 -6.791 8.119) 10.590 3.410 ( 0.940 0.182 -2.056) 2.268 3.456 ( 0.752 0.425 -0.727) 1.129 3.609 ( 1.280 -3.256 5.405) 6.438 3.733 ( 1.479 3.707 1.697) 4.337 3.876 ( 1.703 -5.113 -0.698) 5.434 3.916 ( 0.818 -0.729 2.422) 2.658 3.975 ( -1.571 0.193 -0.532) 1.670 4.018 ( 1.550 0.088 -2.332) 2.802 4.087 ( 2.668 -2.113 -1.069) 3.567 4.179 ( 0.037 -1.046 -2.040) 2.293 4.245 ( -0.167 -1.617 -0.541) 1.713 4.317 ( -3.151 1.251 2.100) 3.988 4.374 ( -0.446 1.887 -3.999) 4.444 4.536 ( 1.858 -2.724 -0.674) 3.366 4.543 ( -0.420 0.346 1.392) 1.495 4.744 ( 0.006 1.129 -4.191) 4.340 4.889 ( 0.828 -1.527 -2.462) 3.013 4.962 ( -2.611 3.762 -4.977) 6.763 5.138 ( -3.797 -0.186 -0.589) 3.847 5.279 ( -1.532 0.454 -2.266) 2.773 5.436 ( 2.342 -1.080 3.439) 4.299 5.527 ( 4.146 -2.288 0.432) 4.755 5.634 ( 0.043 1.388 -2.406) 2.778 5.813 ( 1.956 0.330 3.211) 3.774 5.856 ( 4.347 0.409 1.427) 4.594 5.935 ( 3.351 0.090 0.076) 3.353 6.013 ( -2.378 1.999 0.447) 3.139 6.126 ( 1.376 -1.355 1.722) 2.588 6.236 ( -1.460 -4.320 -0.522) 4.590 6.453 ( 1.701 4.715 -3.742) 6.255 6.744 ( 2.727 0.766 2.330) 3.667 6.932 ( 0.788 -2.081 -3.219) 3.914 7.088 ( -2.278 5.283 0.647) 5.789 7.238 ( 1.681 0.562 1.957) 2.640 7.359 ( 1.474 -0.717 -2.770) 3.219 7.479 ( -0.655 0.714 -3.284) 3.424 7.614 ( -3.660 0.726 -0.429) 3.756 7.832 ( 1.739 -1.801 -3.515) 4.315 7.937 ( -5.576 1.296 -3.367) 6.641 8.149 ( 3.388 2.511 6.251) 7.540 8.190 ( -2.527 -0.669 1.746) 3.143 8.320 ( -0.337 -0.009 3.806) 3.821 8.366 ( -1.326 -2.868 1.533) 3.512 8.474 ( -0.585 -0.826 3.542) 3.683 8.581 ( 1.138 1.311 0.228) 1.751 8.674 ( -0.265 2.851 -2.276) 3.658 11.733 ( 0.690 -0.589 1.180) 1.488 11.774 ( -0.550 -0.349 -1.087) 1.267 11.803 ( -0.953 0.155 0.298) 1.011 11.900 ( 0.745 1.089 -0.268) 1.346 15.136 ( 0.418 -2.406 2.339) 3.382 15.264 ( 0.194 0.149 -0.875) 0.909 15.346 ( -0.014 -2.682 1.059) 2.884 15.506 ( 0.941 0.531 -0.649) 1.260 15.591 ( -0.787 1.181 2.895) 3.224 15.677 ( -2.394 2.961 1.769) 4.198 15.873 ( 0.445 0.503 -3.265) 3.333 15.918 ( 0.578 0.705 -4.213) 4.310 16.091 ( -0.589 -1.344 0.769) 1.656 16.160 ( -2.855 -1.925 -0.033) 3.443 16.305 ( 1.619 -2.021 4.510) 5.200 16.447 ( 6.040 3.373 -0.421) 6.931 ======================= Grid point 91 (42/72) ======================= q-point: (-0.29 -0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -12.148 -0.000 7.813) 14.443 0.976 ( -14.867 -0.000 6.648) 16.285 1.034 ( -3.201 -0.000 2.608) 4.129 1.230 ( -5.178 -0.000 8.558) 10.002 1.508 ( -0.969 -0.000 -4.374) 4.480 1.602 ( -30.850 -0.000 18.000) 35.717 1.753 ( -4.199 -0.000 -8.161) 9.178 1.949 ( 4.958 0.000 4.618) 6.776 1.975 ( 7.442 0.000 -1.288) 7.553 2.205 ( 7.800 0.000 -2.453) 8.177 2.215 ( -4.235 -0.000 -1.220) 4.407 2.332 ( 0.488 0.000 1.434) 1.515 2.487 ( 6.244 0.000 -2.859) 6.867 2.558 ( -0.201 -0.000 0.146) 0.248 2.581 ( 1.715 0.000 2.872) 3.345 2.696 ( 0.088 0.000 0.247) 0.262 2.785 ( -0.101 -0.000 -1.138) 1.142 2.884 ( -0.150 -0.000 2.016) 2.021 2.893 ( -0.663 -0.000 1.222) 1.390 3.041 ( -1.255 -0.000 -0.087) 1.258 3.070 ( -0.360 -0.000 0.890) 0.961 3.141 ( 1.172 0.000 -2.971) 3.194 3.411 ( 2.593 0.000 -4.240) 4.970 3.471 ( -0.396 -0.000 -10.789) 10.796 3.498 ( -0.445 -0.000 8.969) 8.980 3.787 ( 0.238 0.000 1.720) 1.736 3.814 ( 0.146 0.000 0.263) 0.301 3.894 ( -1.610 -0.000 -1.353) 2.103 3.977 ( -1.800 -0.000 -3.171) 3.646 3.996 ( 1.138 0.000 10.049) 10.113 4.021 ( -1.802 -0.000 -3.782) 4.189 4.175 ( 2.671 0.000 -1.568) 3.098 4.241 ( -3.731 -0.000 -0.518) 3.766 4.346 ( 3.198 0.000 -7.187) 7.866 4.376 ( -1.930 -0.000 -0.635) 2.032 4.407 ( 1.384 0.000 6.868) 7.006 4.567 ( 3.226 0.000 -2.019) 3.805 4.762 ( -1.895 -0.000 -3.485) 3.967 4.860 ( 0.181 0.000 -4.400) 4.404 5.046 ( -2.503 -0.000 -3.245) 4.098 5.165 ( -2.643 -0.000 -2.530) 3.659 5.257 ( -4.855 -0.000 -2.063) 5.275 5.397 ( 5.071 0.000 6.686) 8.391 5.471 ( 2.702 0.000 3.610) 4.509 5.664 ( 2.685 0.000 -0.404) 2.715 5.839 ( 6.494 0.000 3.854) 7.552 5.868 ( 4.722 0.000 -2.615) 5.398 5.977 ( 0.060 0.000 4.178) 4.179 6.017 ( 2.003 0.000 -0.450) 2.053 6.085 ( 2.047 0.000 1.230) 2.388 6.154 ( -2.863 -0.000 1.003) 3.034 6.592 ( 1.535 0.000 -5.297) 5.515 6.794 ( 3.481 0.000 -0.373) 3.500 6.830 ( 3.313 0.000 -1.058) 3.478 7.163 ( 2.497 0.000 -1.058) 2.712 7.246 ( -3.428 -0.000 -2.956) 4.526 7.420 ( -9.535 -0.000 0.685) 9.560 7.448 ( -3.931 -0.000 1.900) 4.366 7.618 ( 3.464 0.000 -3.422) 4.869 7.791 ( -0.045 -0.000 -0.957) 0.958 7.999 ( 0.523 0.000 -5.648) 5.672 8.195 ( -4.866 -0.000 -1.071) 4.983 8.224 ( 2.670 0.000 6.650) 7.166 8.278 ( -3.342 -0.000 6.088) 6.946 8.294 ( 1.699 0.000 0.448) 1.757 8.478 ( 3.614 0.000 4.732) 5.954 8.644 ( -0.606 -0.000 -0.292) 0.673 8.726 ( 0.269 0.000 -3.175) 3.186 11.722 ( 0.908 0.000 1.007) 1.356 11.757 ( -0.530 -0.000 -1.872) 1.946 11.821 ( -1.244 -0.000 1.050) 1.628 11.915 ( 0.763 0.000 0.413) 0.867 15.106 ( -0.612 -0.000 0.863) 1.058 15.137 ( 0.546 0.000 1.298) 1.408 15.364 ( -0.208 -0.000 2.842) 2.849 15.499 ( 0.523 0.000 -0.769) 0.930 15.613 ( -0.350 -0.000 2.162) 2.191 15.834 ( -1.084 -0.000 -2.586) 2.804 15.890 ( -0.373 -0.000 -1.976) 2.011 15.901 ( -2.159 -0.000 -6.636) 6.978 16.075 ( -3.216 -0.000 -0.828) 3.321 16.093 ( -2.494 -0.000 1.736) 3.039 16.260 ( 8.689 0.000 13.322) 15.906 16.507 ( 6.222 0.000 -0.092) 6.222 ======================= Grid point 92 (43/72) ======================= q-point: (-0.14 -0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -20.814 -1.254 9.629) 22.968 0.872 ( -11.650 -6.289 7.393) 15.164 1.040 ( 2.193 0.698 0.297) 2.320 1.250 ( -3.525 -4.131 6.519) 8.485 1.527 ( -1.360 -4.290 -4.308) 6.230 1.593 ( -23.232 -18.516 16.826) 34.142 1.720 ( -5.814 -3.288 -8.906) 11.132 1.995 ( 4.067 -0.127 6.116) 7.346 2.025 ( 6.224 0.911 -0.441) 6.306 2.138 ( 0.662 3.963 0.240) 4.025 2.281 ( 0.116 3.195 -1.745) 3.642 2.346 ( 6.173 -2.247 0.058) 6.569 2.467 ( 2.642 3.540 -1.684) 4.727 2.533 ( -2.642 1.255 2.434) 3.805 2.590 ( 0.909 1.043 4.134) 4.359 2.626 ( -0.783 6.950 -1.909) 7.250 2.802 ( 1.179 4.018 -0.689) 4.244 2.837 ( -1.406 1.585 -1.830) 2.800 2.910 ( 0.100 -1.796 -1.299) 2.219 3.023 ( -0.078 2.273 -0.925) 2.455 3.077 ( -2.220 -2.595 5.489) 6.465 3.153 ( -0.895 -0.776 0.965) 1.528 3.395 ( 0.735 -0.323 -6.953) 6.999 3.454 ( 0.633 -0.980 -4.940) 5.076 3.551 ( -0.597 -3.789 4.628) 6.011 3.816 ( -0.716 -0.945 0.815) 1.439 3.824 ( 3.308 1.533 2.125) 4.220 3.891 ( 0.432 -2.856 -0.523) 2.936 3.967 ( -0.959 -0.038 0.725) 1.203 3.991 ( 0.128 -1.695 -3.986) 4.333 4.087 ( 3.114 -2.393 5.032) 6.382 4.167 ( -0.182 0.687 -2.788) 2.877 4.202 ( -1.324 -0.654 -1.996) 2.483 4.327 ( -3.070 1.756 3.446) 4.937 4.422 ( 1.452 2.278 0.070) 2.702 4.445 ( 0.364 -5.587 -8.286) 10.001 4.577 ( 2.147 0.631 2.684) 3.495 4.740 ( -0.910 -0.291 -2.800) 2.959 4.863 ( -0.610 -1.076 -4.872) 5.027 4.997 ( -2.216 2.581 -2.957) 4.507 5.108 ( -3.519 1.732 -2.015) 4.410 5.260 ( -0.258 -1.951 -3.685) 4.177 5.457 ( 3.693 -0.704 5.756) 6.875 5.510 ( 1.115 -1.350 4.245) 4.592 5.672 ( 2.498 1.207 -1.376) 3.097 5.856 ( 2.739 1.874 1.998) 3.874 5.921 ( 4.621 1.324 -0.247) 4.813 5.968 ( 2.726 -0.388 1.201) 3.004 6.053 ( -0.276 3.320 1.985) 3.878 6.087 ( 1.752 -2.919 1.919) 3.908 6.171 ( -0.592 -2.271 1.182) 2.628 6.550 ( 1.323 4.424 -4.330) 6.330 6.805 ( 4.031 1.940 0.605) 4.514 6.902 ( 4.125 -2.808 -1.935) 5.352 7.157 ( -4.226 4.563 -0.141) 6.221 7.230 ( 1.269 -3.145 -0.517) 3.430 7.334 ( -2.929 -0.602 -0.335) 3.009 7.453 ( -2.829 -2.162 -0.876) 3.666 7.620 ( 1.263 1.989 -3.386) 4.125 7.799 ( -1.087 -1.590 -0.725) 2.058 7.943 ( -2.966 4.255 -6.493) 8.311 8.150 ( -4.749 -0.851 -0.619) 4.864 8.230 ( 1.666 2.056 6.736) 7.237 8.295 ( -0.618 -3.214 3.803) 5.017 8.317 ( -0.295 -0.785 2.645) 2.774 8.497 ( 2.681 2.602 6.228) 7.263 8.609 ( -0.895 1.932 -0.590) 2.210 8.712 ( 0.245 1.550 -2.382) 2.853 11.731 ( 0.438 -0.264 0.786) 0.938 11.757 ( -0.235 -0.597 -1.646) 1.767 11.805 ( -0.919 0.626 1.313) 1.721 11.919 ( 0.595 0.394 -0.145) 0.728 15.107 ( -0.084 -1.110 1.362) 1.759 15.209 ( 1.291 -5.395 -1.166) 5.668 15.349 ( -0.294 1.677 3.009) 3.458 15.511 ( 0.810 -0.602 -0.593) 1.170 15.607 ( -0.357 0.643 2.437) 2.546 15.730 ( -3.518 5.638 0.422) 6.659 15.878 ( -0.179 0.173 -2.997) 3.008 15.915 ( -0.137 -1.355 -5.981) 6.134 16.057 ( -1.647 -1.134 -0.204) 2.010 16.097 ( -2.441 -2.036 0.480) 3.215 16.345 ( 7.020 1.974 11.723) 13.806 16.557 ( 7.190 1.475 0.374) 7.349 ======================= Grid point 99 (44/72) ======================= q-point: (-0.14 -0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -20.026 -0.000 16.116) 25.705 0.638 ( -21.930 -0.000 10.745) 24.421 1.030 ( -20.226 -0.000 17.300) 26.615 1.069 ( 2.130 0.000 0.145) 2.135 1.297 ( -5.578 -0.000 21.974) 22.671 1.481 ( -0.041 -0.000 -6.893) 6.893 1.614 ( -6.417 -0.000 -11.732) 13.372 2.045 ( 1.179 0.000 -1.335) 1.782 2.059 ( 5.309 0.000 5.855) 7.904 2.232 ( 3.474 0.000 1.492) 3.781 2.344 ( 7.312 0.000 -1.986) 7.577 2.346 ( 1.565 0.000 3.235) 3.593 2.529 ( -2.740 -0.000 1.184) 2.985 2.543 ( -1.107 -0.000 5.531) 5.641 2.625 ( 4.329 0.000 -2.395) 4.947 2.688 ( -2.510 -0.000 -5.238) 5.808 2.789 ( 0.483 0.000 -0.460) 0.667 2.865 ( -2.900 -0.000 3.322) 4.410 2.866 ( -1.488 -0.000 -0.480) 1.564 3.021 ( -1.439 -0.000 2.238) 2.661 3.061 ( -0.775 -0.000 0.458) 0.900 3.158 ( 1.485 0.000 -4.376) 4.621 3.378 ( -2.569 -0.000 -6.120) 6.637 3.447 ( 1.568 0.000 -15.901) 15.978 3.511 ( -0.612 -0.000 8.770) 8.791 3.805 ( -1.164 -0.000 0.679) 1.348 3.819 ( 1.015 0.000 0.037) 1.016 3.895 ( 1.870 0.000 2.088) 2.803 3.973 ( 1.545 0.000 -1.202) 1.957 3.984 ( -0.574 -0.000 -3.711) 3.755 4.075 ( 5.256 0.000 10.813) 12.023 4.141 ( -6.439 -0.000 -3.218) 7.198 4.211 ( 1.610 0.000 -2.958) 3.368 4.322 ( -2.026 -0.000 4.863) 5.268 4.383 ( 2.999 0.000 -9.043) 9.528 4.461 ( 1.461 0.000 -0.070) 1.463 4.600 ( 0.932 0.000 -1.565) 1.821 4.722 ( -1.440 -0.000 0.878) 1.686 4.833 ( -1.585 -0.000 -5.528) 5.751 5.001 ( -1.647 -0.000 -2.289) 2.820 5.139 ( -0.149 -0.000 -5.311) 5.313 5.189 ( -2.666 -0.000 -0.534) 2.719 5.485 ( 2.186 0.000 5.990) 6.377 5.515 ( 0.376 0.000 5.971) 5.982 5.713 ( 3.483 0.000 1.397) 3.753 5.913 ( 1.589 0.000 -4.120) 4.416 5.943 ( 0.971 0.000 5.299) 5.388 5.991 ( 2.674 0.000 -0.400) 2.704 6.096 ( 5.486 0.000 0.656) 5.525 6.119 ( -1.572 -0.000 4.159) 4.446 6.146 ( 6.164 0.000 4.154) 7.433 6.598 ( 0.294 0.000 -5.348) 5.356 6.865 ( 4.347 0.000 -0.573) 4.385 6.916 ( 6.268 0.000 -0.305) 6.276 7.152 ( -6.292 -0.000 0.921) 6.359 7.171 ( -3.502 -0.000 -2.097) 4.082 7.306 ( -1.432 -0.000 1.875) 2.359 7.398 ( -2.316 -0.000 0.986) 2.518 7.662 ( 2.390 0.000 -6.698) 7.112 7.766 ( -2.069 -0.000 1.115) 2.350 7.986 ( -0.125 -0.000 -7.827) 7.828 8.056 ( -9.910 -0.000 -1.966) 10.103 8.239 ( -2.045 -0.000 5.540) 5.905 8.285 ( 1.593 0.000 6.466) 6.659 8.310 ( 0.032 0.000 1.784) 1.784 8.578 ( 3.211 0.000 -0.835) 3.318 8.668 ( 5.637 0.000 3.738) 6.763 8.723 ( 0.293 0.000 -2.792) 2.808 11.731 ( -0.258 -0.000 -0.050) 0.263 11.748 ( 0.074 0.000 -1.480) 1.481 11.808 ( -0.358 -0.000 1.880) 1.914 11.925 ( 0.218 0.000 -0.016) 0.219 15.099 ( -0.347 -0.000 0.587) 0.682 15.143 ( -0.217 -0.000 0.652) 0.687 15.380 ( 1.618 0.000 4.150) 4.454 15.507 ( 0.501 0.000 -0.774) 0.922 15.613 ( -0.145 -0.000 2.445) 2.449 15.806 ( -1.079 -0.000 -2.642) 2.853 15.818 ( -5.682 -0.000 -6.282) 8.470 15.881 ( -0.203 -0.000 -1.557) 1.570 16.032 ( -1.219 -0.000 -0.778) 1.446 16.058 ( -1.713 -0.000 0.804) 1.892 16.539 ( 19.107 0.000 16.976) 25.559 16.610 ( 4.542 0.000 1.159) 4.688 ======================= Grid point 100 (45/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 3.504 0.000 20.202) 20.504 0.868 ( -4.043 -0.000 19.090) 19.513 1.072 ( -3.210 -0.000 3.271) 4.583 1.084 ( -1.934 -0.000 -0.054) 1.935 1.233 ( 4.110 0.000 -17.089) 17.576 1.265 ( 2.545 0.000 -14.911) 15.126 1.833 ( -1.835 -0.000 24.503) 24.571 2.026 ( -0.418 -0.000 -2.812) 2.843 2.225 ( -3.655 -0.000 9.761) 10.423 2.292 ( -1.912 -0.000 1.369) 2.352 2.400 ( -1.343 -0.000 1.680) 2.150 2.460 ( 5.812 0.000 0.037) 5.813 2.544 ( -2.502 -0.000 4.002) 4.720 2.548 ( -4.878 -0.000 1.992) 5.270 2.633 ( 3.323 0.000 -2.649) 4.250 2.715 ( -0.007 -0.000 8.680) 8.680 2.782 ( -0.179 -0.000 -0.670) 0.694 2.853 ( 0.065 0.000 1.842) 1.843 2.885 ( 8.652 0.000 -12.467) 15.174 2.941 ( -1.941 -0.000 -12.778) 12.924 2.982 ( -1.557 -0.000 -1.220) 1.979 2.992 ( -2.563 -0.000 -5.588) 6.147 3.174 ( -2.003 -0.000 1.032) 2.253 3.281 ( 5.412 0.000 -6.761) 8.660 3.693 ( -1.948 -0.000 9.945) 10.134 3.831 ( 2.202 0.000 -3.185) 3.872 3.853 ( -0.384 -0.000 5.177) 5.191 3.923 ( 0.980 0.000 -0.282) 1.019 3.972 ( -0.947 -0.000 0.799) 1.239 3.992 ( 2.385 0.000 -2.226) 3.263 4.046 ( -1.840 -0.000 2.313) 2.956 4.105 ( 0.208 0.000 -6.546) 6.550 4.158 ( -3.015 -0.000 -1.482) 3.359 4.222 ( 1.029 0.000 -7.225) 7.298 4.393 ( -0.885 -0.000 7.140) 7.195 4.533 ( 1.290 0.000 -6.338) 6.468 4.585 ( 7.129 0.000 2.814) 7.664 4.660 ( -4.662 -0.000 -5.542) 7.242 4.816 ( -3.098 -0.000 5.637) 6.432 4.903 ( 1.021 0.000 -4.239) 4.361 5.080 ( 1.109 0.000 1.385) 1.774 5.126 ( -1.693 -0.000 -2.730) 3.212 5.637 ( -1.683 -0.000 8.661) 8.823 5.659 ( -0.936 -0.000 7.700) 7.757 5.781 ( 2.609 0.000 -4.041) 4.810 5.798 ( 0.560 0.000 -7.721) 7.741 5.998 ( -1.130 -0.000 2.159) 2.437 6.053 ( -1.409 -0.000 -3.453) 3.730 6.067 ( -1.505 -0.000 8.112) 8.251 6.213 ( 0.994 0.000 -6.479) 6.555 6.300 ( 2.219 0.000 8.702) 8.980 6.455 ( -0.789 -0.000 -7.904) 7.943 7.021 ( 4.420 0.000 0.767) 4.486 7.041 ( -7.306 -0.000 -0.670) 7.337 7.062 ( 8.787 0.000 0.573) 8.806 7.078 ( -1.908 -0.000 -0.258) 1.925 7.337 ( 0.129 0.000 1.002) 1.010 7.354 ( -1.485 -0.000 -0.787) 1.681 7.704 ( 1.907 0.000 4.321) 4.723 7.801 ( -3.302 -0.000 -2.897) 4.392 7.834 ( 4.602 0.000 -0.382) 4.618 7.885 ( -2.944 -0.000 -2.533) 3.884 8.315 ( -0.233 -0.000 3.465) 3.473 8.339 ( -0.734 -0.000 0.894) 1.157 8.420 ( -1.299 -0.000 5.997) 6.136 8.519 ( 0.746 0.000 -4.582) 4.642 8.671 ( -2.138 -0.000 -1.601) 2.671 8.677 ( 1.129 0.000 -2.160) 2.438 11.715 ( -1.173 -0.000 0.514) 1.280 11.731 ( 1.101 0.000 -1.148) 1.590 11.866 ( 0.641 0.000 2.516) 2.597 11.905 ( -0.649 -0.000 -1.500) 1.635 15.117 ( 0.799 0.000 0.830) 1.152 15.128 ( -1.115 -0.000 -0.425) 1.194 15.472 ( 1.882 0.000 0.453) 1.935 15.489 ( -0.345 -0.000 -1.172) 1.221 15.683 ( -1.487 -0.000 2.766) 3.140 15.738 ( 1.005 0.000 -3.075) 3.236 15.738 ( -0.043 -0.000 4.324) 4.325 15.819 ( -0.304 -0.000 -3.976) 3.988 16.030 ( 1.478 0.000 0.219) 1.494 16.034 ( -1.525 -0.000 -0.153) 1.532 16.712 ( 0.721 0.000 3.184) 3.265 16.770 ( -1.972 -0.000 -2.861) 3.475 ======================= Grid point 101 (46/72) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 2.352 -2.406 12.269) 12.722 0.982 ( 9.342 -8.024 13.091) 17.973 1.038 ( -2.220 -1.051 0.538) 2.515 1.158 ( 0.086 -7.194 4.430) 8.449 1.232 ( 3.012 -1.886 -15.005) 15.420 1.439 ( 9.946 -10.088 -12.243) 18.723 1.861 ( -0.801 -0.467 17.551) 17.576 1.990 ( -2.315 2.287 -4.003) 5.159 2.237 ( -4.993 -3.444 11.473) 12.978 2.247 ( -3.929 1.883 2.346) 4.949 2.282 ( -2.806 7.796 -1.551) 8.430 2.389 ( 0.107 6.170 -2.251) 6.569 2.522 ( -0.990 2.318 2.124) 3.296 2.527 ( -2.441 0.000 6.910) 7.328 2.611 ( 2.609 4.085 -0.932) 4.936 2.690 ( 0.238 4.391 5.338) 6.916 2.813 ( -0.352 -1.239 3.419) 3.653 2.854 ( 2.877 3.876 -2.030) 5.236 2.922 ( -3.981 -0.546 -0.364) 4.035 2.943 ( 1.913 -0.556 -8.387) 8.621 2.985 ( 3.713 -0.823 -3.552) 5.204 3.019 ( 4.842 -7.820 -13.365) 16.224 3.237 ( -1.231 -8.054 4.490) 9.303 3.416 ( 3.463 -7.939 -6.708) 10.955 3.696 ( -1.402 -0.803 8.739) 8.887 3.858 ( 3.748 -0.286 -4.324) 5.730 3.872 ( -0.728 -1.459 4.120) 4.431 3.940 ( 0.152 0.109 -1.803) 1.813 3.978 ( 1.307 1.009 2.541) 3.030 3.984 ( -0.927 -1.589 -1.273) 2.237 4.044 ( 0.296 -0.533 -0.278) 0.670 4.070 ( -0.822 1.153 -4.507) 4.724 4.187 ( -2.214 -3.557 -0.574) 4.229 4.240 ( 0.217 -1.539 -4.440) 4.705 4.392 ( -0.221 0.160 6.501) 6.507 4.524 ( -0.428 1.268 -0.554) 1.449 4.577 ( -2.369 2.717 -6.524) 7.453 4.663 ( 3.813 -1.106 -2.085) 4.484 4.796 ( -3.378 -0.409 3.837) 5.128 4.897 ( 2.016 1.190 -2.766) 3.624 5.069 ( 1.119 1.003 3.399) 3.717 5.117 ( -1.114 -0.406 -4.447) 4.603 5.616 ( -3.327 2.052 7.999) 8.903 5.657 ( -0.346 -0.545 6.201) 6.234 5.745 ( 0.296 3.533 -4.446) 5.686 5.793 ( -0.670 0.295 -7.138) 7.175 5.974 ( -2.024 1.101 2.952) 3.745 6.010 ( -2.022 1.342 -0.860) 2.575 6.098 ( -1.605 -3.390 5.395) 6.571 6.202 ( -0.942 0.044 -1.983) 2.196 6.298 ( 1.564 3.296 6.235) 7.224 6.398 ( -0.545 4.097 -8.833) 9.752 6.959 ( -7.384 2.006 0.697) 7.683 6.990 ( -5.267 -1.100 -1.208) 5.515 7.089 ( 5.111 3.805 -1.288) 6.500 7.131 ( 9.374 1.674 0.498) 9.536 7.346 ( -0.764 -0.800 -0.511) 1.219 7.386 ( 0.458 -3.116 -1.272) 3.396 7.634 ( -3.501 4.221 2.798) 6.156 7.792 ( 6.606 1.790 -4.626) 8.260 7.876 ( -2.810 -3.381 -1.242) 4.568 7.935 ( 5.074 -2.166 1.715) 5.777 8.343 ( -0.608 -1.617 3.026) 3.485 8.361 ( -1.678 -3.497 1.487) 4.154 8.414 ( -0.801 0.243 5.752) 5.813 8.515 ( -0.529 0.057 -3.679) 3.717 8.603 ( -1.494 3.654 2.797) 4.838 8.667 ( 0.195 1.815 -3.309) 3.779 11.712 ( -1.016 -0.666 0.620) 1.364 11.748 ( 1.296 -0.803 -1.077) 1.867 11.865 ( 0.457 0.993 2.410) 2.646 11.888 ( -0.718 0.848 -1.703) 2.034 15.125 ( -0.819 -1.559 1.910) 2.598 15.175 ( 0.873 -3.937 -2.121) 4.557 15.460 ( 1.040 2.407 1.551) 3.047 15.479 ( -0.573 0.725 -2.169) 2.358 15.668 ( -1.717 0.240 4.348) 4.681 15.732 ( 0.696 0.643 3.431) 3.560 15.775 ( 2.007 -0.935 -3.490) 4.133 15.815 ( 0.656 -0.195 -4.467) 4.519 16.039 ( -0.894 -1.941 -0.167) 2.143 16.063 ( 1.981 -1.703 0.238) 2.623 16.620 ( -4.750 7.379 4.760) 9.983 16.675 ( -4.220 5.065 -1.507) 6.763 ======================= Grid point 102 (47/72) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 3.430 -2.832 2.734) 5.221 1.004 ( -0.252 -0.375 -1.772) 1.829 1.244 ( -1.407 -11.303 9.077) 14.565 1.328 ( 2.746 -7.565 -10.683) 13.375 1.394 ( 9.363 -12.021 8.507) 17.451 1.713 ( 10.287 -9.924 -10.722) 17.868 1.843 ( 0.135 4.468 7.843) 9.027 1.912 ( -0.235 2.808 -3.475) 4.474 2.111 ( -2.358 5.588 -4.135) 7.341 2.122 ( -6.135 4.773 0.571) 7.794 2.298 ( -3.056 2.694 -0.194) 4.078 2.319 ( -3.331 0.333 3.675) 4.971 2.414 ( -0.148 3.006 4.631) 5.523 2.534 ( -1.962 -0.980 3.445) 4.084 2.550 ( 3.921 4.823 -0.533) 6.238 2.646 ( 3.101 3.012 4.059) 5.930 2.751 ( -0.483 7.146 1.281) 7.276 2.763 ( -1.898 3.363 0.476) 3.891 2.868 ( -2.293 2.165 1.131) 3.350 3.049 ( 5.045 -6.838 -1.939) 8.716 3.104 ( 2.848 -5.827 1.532) 6.664 3.180 ( 1.903 -7.647 -8.146) 11.334 3.386 ( -2.102 -6.983 4.615) 8.631 3.537 ( -0.064 -3.868 -3.959) 5.535 3.722 ( -1.028 -2.141 6.852) 7.252 3.859 ( -0.366 4.193 -2.639) 4.968 3.892 ( -1.322 -1.316 -0.130) 1.870 3.911 ( 2.682 -0.356 -1.842) 3.273 3.996 ( -0.594 0.529 2.997) 3.101 4.030 ( 0.018 -3.473 -2.219) 4.122 4.035 ( 0.381 -0.350 -1.193) 1.300 4.089 ( 2.052 -2.194 -2.754) 4.076 4.216 ( -2.394 -1.017 0.950) 2.769 4.249 ( -1.458 -0.922 -0.179) 1.735 4.385 ( -1.510 1.353 4.986) 5.382 4.484 ( -1.398 -0.819 3.848) 4.175 4.543 ( 3.171 1.856 -8.681) 9.426 4.690 ( 2.798 0.753 -3.737) 4.729 4.774 ( -2.584 0.127 1.496) 2.989 4.901 ( 2.459 0.641 -2.755) 3.748 5.096 ( 1.994 -1.636 2.273) 3.438 5.122 ( 0.758 -1.593 -3.405) 3.835 5.555 ( -1.939 1.807 4.159) 4.932 5.638 ( -0.619 4.390 -1.092) 4.565 5.706 ( -1.815 -1.352 3.055) 3.802 5.740 ( -4.322 1.720 -4.392) 6.397 5.952 ( -1.878 0.059 2.347) 3.006 5.978 ( -1.623 -0.824 -1.449) 2.326 6.146 ( -0.711 2.639 5.925) 6.525 6.181 ( 0.463 -1.668 -1.572) 2.338 6.230 ( 0.178 5.732 2.178) 6.134 6.327 ( 0.075 0.511 -6.946) 6.965 6.868 ( -5.677 0.939 1.911) 6.063 6.970 ( -2.786 -0.582 -2.128) 3.554 7.032 ( 2.235 5.460 -0.719) 5.943 7.180 ( 6.350 0.721 2.045) 6.710 7.334 ( 0.386 1.518 -3.809) 4.119 7.430 ( 1.386 -0.546 -0.872) 1.726 7.564 ( -3.623 -0.064 1.500) 3.922 7.817 ( 5.917 1.789 -2.287) 6.591 7.910 ( -2.220 -3.380 -4.390) 5.969 8.028 ( 5.829 -2.169 3.933) 7.359 8.352 ( -2.592 0.286 2.659) 3.724 8.360 ( -4.377 0.192 3.768) 5.779 8.451 ( 0.680 -3.295 0.363) 3.385 8.513 ( -0.589 -0.983 0.618) 1.302 8.548 ( 0.690 2.564 3.702) 4.556 8.622 ( 0.560 2.520 -3.929) 4.701 11.721 ( -0.757 -1.169 0.831) 1.622 11.779 ( 1.359 -1.339 -1.097) 2.201 11.846 ( -0.027 1.491 1.792) 2.332 11.859 ( -0.462 1.432 -1.453) 2.092 15.159 ( -1.215 -2.665 2.470) 3.831 15.256 ( 1.420 -3.576 -3.334) 5.091 15.417 ( -0.348 2.448 3.193) 4.038 15.455 ( -0.145 1.253 -2.090) 2.441 15.658 ( -0.937 0.179 5.157) 5.245 15.729 ( 0.158 0.666 4.394) 4.447 15.783 ( 0.937 0.450 -4.741) 4.854 15.824 ( 1.387 0.085 -5.697) 5.864 16.088 ( 0.529 -3.371 -0.615) 3.467 16.117 ( 1.798 -2.032 0.192) 2.720 16.454 ( -4.716 5.809 5.420) 9.239 16.534 ( -3.674 5.499 -2.236) 6.981 ======================= Grid point 103 (48/72) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 0.024 -0.610 0.625) 0.874 1.043 ( 0.600 -0.237 -1.370) 1.515 1.430 ( 0.338 -6.495 2.510) 6.971 1.482 ( 1.476 -6.738 -0.543) 6.919 1.665 ( 2.624 -5.470 12.106) 13.541 1.725 ( -0.568 2.825 -3.740) 4.721 1.891 ( 3.373 1.653 -4.399) 5.785 1.931 ( 3.786 -1.131 -4.107) 5.699 1.994 ( -0.125 -0.439 -2.473) 2.515 2.045 ( -1.085 -0.811 -3.531) 3.782 2.167 ( -4.382 6.364 -1.173) 7.815 2.227 ( -1.283 3.520 -3.184) 4.917 2.447 ( 1.798 -0.154 5.231) 5.534 2.520 ( 1.300 1.382 0.194) 1.907 2.528 ( -1.855 -0.231 1.662) 2.501 2.600 ( 2.641 3.999 -1.337) 4.975 2.658 ( -3.443 0.359 2.066) 4.031 2.717 ( 0.338 1.182 1.638) 2.048 2.842 ( -0.530 -1.298 1.063) 1.760 3.164 ( 1.199 -1.033 0.004) 1.582 3.232 ( 1.761 -3.381 8.319) 9.151 3.313 ( 1.781 -6.116 -5.054) 8.131 3.414 ( -3.041 0.387 2.975) 4.272 3.560 ( -0.989 0.609 0.037) 1.162 3.757 ( -1.410 -1.292 5.098) 5.445 3.775 ( -1.002 2.285 2.262) 3.368 3.890 ( -1.292 0.037 -3.547) 3.775 3.941 ( -0.736 0.593 -1.993) 2.206 3.976 ( 0.879 -1.579 0.623) 1.911 4.037 ( 1.892 1.017 2.187) 3.065 4.108 ( 2.072 -1.725 0.685) 2.782 4.136 ( 0.708 -1.432 -5.101) 5.345 4.208 ( 0.489 -0.068 0.746) 0.895 4.244 ( -4.334 -2.259 3.754) 6.162 4.377 ( 1.381 0.152 1.346) 1.935 4.482 ( 0.192 2.944 -8.516) 9.013 4.545 ( 0.754 -2.416 0.466) 2.573 4.702 ( 1.813 0.540 1.544) 2.441 4.750 ( -1.053 0.064 -2.548) 2.758 4.895 ( 1.121 1.204 -4.082) 4.401 5.144 ( 0.749 -1.426 0.917) 1.854 5.180 ( 2.190 -2.483 -1.084) 3.484 5.537 ( -0.667 2.458 1.260) 2.842 5.548 ( -0.334 0.679 -1.508) 1.687 5.624 ( -4.021 3.040 -0.617) 5.079 5.766 ( -0.818 -3.359 2.386) 4.201 5.923 ( -1.890 0.636 -0.309) 2.018 6.024 ( -0.735 -4.186 -0.947) 4.354 6.058 ( -0.022 4.552 4.181) 6.181 6.114 ( 1.429 6.443 0.725) 6.639 6.243 ( 0.485 -2.711 -2.782) 3.915 6.332 ( -0.288 -0.364 -2.533) 2.575 6.839 ( -3.253 -1.746 3.534) 5.111 6.938 ( 2.647 4.931 1.762) 5.867 6.968 ( -1.784 -0.332 -4.936) 5.259 7.221 ( 1.428 -0.909 2.296) 2.852 7.303 ( 2.008 1.990 -4.338) 5.178 7.439 ( 0.168 -0.240 -0.603) 0.670 7.556 ( -1.295 -0.779 -0.191) 1.524 7.827 ( 1.996 0.730 -1.453) 2.574 7.930 ( -1.337 -0.529 -1.504) 2.080 8.128 ( 5.713 -2.516 2.587) 6.757 8.280 ( -4.960 1.987 1.235) 5.484 8.349 ( -0.950 -0.027 2.500) 2.675 8.502 ( -1.022 -1.232 0.719) 1.755 8.519 ( 0.083 0.263 0.676) 0.730 8.532 ( -0.315 -0.460 2.733) 2.789 8.592 ( 1.652 1.121 -2.492) 3.193 11.741 ( -0.323 -1.324 0.979) 1.678 11.809 ( 0.985 0.027 -0.138) 0.995 11.818 ( -0.436 1.340 -0.326) 1.447 11.833 ( -0.149 0.118 -0.552) 0.584 15.199 ( -0.973 -2.283 1.823) 3.079 15.294 ( 0.835 0.828 0.211) 1.195 15.397 ( -0.489 -0.591 -0.962) 1.230 15.430 ( 0.291 0.813 -0.408) 0.955 15.656 ( -0.452 0.091 5.016) 5.037 15.720 ( -0.460 0.721 4.765) 4.841 15.778 ( 0.590 0.089 -4.788) 4.825 15.822 ( 0.971 0.296 -5.828) 5.915 16.145 ( 1.084 -1.241 0.098) 1.651 16.162 ( 0.342 -1.509 -0.432) 1.607 16.357 ( -1.735 1.525 3.166) 3.919 16.427 ( -1.862 2.915 -1.297) 3.694 ======================= Grid point 104 (49/72) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -0.153 -0.310 1.100) 1.153 1.025 ( -0.479 1.948 -1.153) 2.314 1.351 ( -1.914 13.058 5.151) 14.167 1.567 ( -1.006 3.361 -2.466) 4.288 1.610 ( 2.684 1.728 7.050) 7.739 1.791 ( -5.832 -2.559 1.529) 6.550 1.834 ( -2.106 0.304 -3.041) 3.712 1.957 ( -7.320 4.396 -0.536) 8.555 2.016 ( 5.693 -1.557 -7.500) 9.544 2.024 ( 0.316 0.096 -2.851) 2.870 2.167 ( 5.532 -7.393 -1.623) 9.375 2.221 ( 4.392 -2.523 -2.665) 5.724 2.476 ( -4.197 0.538 3.135) 5.266 2.498 ( 0.675 -3.509 0.945) 3.696 2.550 ( 1.288 -0.822 0.131) 1.533 2.574 ( -4.833 -2.525 1.094) 5.561 2.657 ( 0.567 -1.525 0.387) 1.672 2.742 ( 0.642 -2.908 1.252) 3.230 2.886 ( 3.277 -0.228 -2.285) 4.002 3.079 ( -7.592 7.479 7.810) 13.212 3.202 ( 0.008 4.550 4.253) 6.228 3.382 ( -0.037 1.321 -5.321) 5.483 3.428 ( 2.276 -0.296 2.135) 3.135 3.519 ( 0.796 2.514 3.435) 4.330 3.756 ( -0.730 0.001 3.865) 3.933 3.776 ( 0.280 -1.321 4.907) 5.089 3.861 ( -2.023 0.711 -2.864) 3.578 3.924 ( 0.441 0.255 -0.633) 0.813 4.009 ( 2.087 1.011 2.768) 3.611 4.035 ( 1.644 1.756 -2.387) 3.388 4.106 ( -0.585 1.425 0.278) 1.565 4.136 ( -0.490 0.944 -4.235) 4.367 4.241 ( 1.842 -1.713 -3.244) 4.105 4.290 ( -2.900 -4.935 6.874) 8.946 4.363 ( 4.578 4.318 -1.924) 6.581 4.426 ( -1.998 0.474 -4.495) 4.942 4.585 ( -2.513 -1.969 -4.114) 5.208 4.693 ( -1.166 -0.384 3.592) 3.796 4.770 ( 1.553 -1.774 -4.157) 4.779 4.874 ( 0.380 1.432 -2.741) 3.115 5.140 ( -1.487 1.732 0.684) 2.383 5.203 ( -0.738 0.649 -2.748) 2.918 5.507 ( 0.255 -1.145 2.256) 2.543 5.557 ( -1.052 -1.224 -0.471) 1.681 5.611 ( 4.629 -0.588 0.300) 4.676 5.811 ( -0.091 -1.419 -0.827) 1.645 5.914 ( 2.210 0.156 -0.320) 2.239 6.000 ( -0.517 2.680 2.419) 3.647 6.039 ( 1.565 0.271 4.053) 4.353 6.118 ( -1.636 -5.180 0.333) 5.442 6.269 ( 0.245 0.571 -3.529) 3.584 6.318 ( 0.383 0.481 -2.022) 2.114 6.865 ( 0.237 -1.243 5.251) 5.402 6.889 ( 2.698 2.402 -1.011) 3.751 6.982 ( -1.510 -3.309 -3.012) 4.722 7.238 ( -3.236 -1.306 1.402) 3.761 7.296 ( 2.272 0.172 -4.358) 4.918 7.442 ( -1.281 -0.608 -0.899) 1.678 7.564 ( 2.406 0.218 -0.973) 2.604 7.818 ( -2.089 0.155 -0.692) 2.206 7.899 ( -1.038 2.363 1.340) 2.908 8.175 ( -3.015 1.378 -2.067) 3.906 8.255 ( 3.981 -1.888 3.933) 5.906 8.359 ( 0.626 -1.016 1.630) 2.021 8.472 ( -0.554 2.577 3.193) 4.140 8.519 ( -0.552 -0.207 1.711) 1.810 8.555 ( -1.226 -1.526 -1.486) 2.458 8.597 ( 0.881 -0.566 -1.669) 1.970 11.757 ( 0.250 0.106 -0.280) 0.390 11.788 ( -0.397 1.548 1.484) 2.181 11.800 ( -0.175 -0.174 0.298) 0.387 11.857 ( 0.262 -1.687 -1.582) 2.328 15.214 ( -0.219 0.796 0.460) 0.945 15.271 ( 0.003 1.340 2.373) 2.725 15.386 ( -0.365 0.687 -0.537) 0.945 15.453 ( 0.545 -1.956 -1.898) 2.779 15.659 ( -0.314 -0.111 4.906) 4.917 15.711 ( -0.831 0.139 4.751) 4.825 15.781 ( 0.374 -0.580 -4.694) 4.745 15.821 ( 0.737 -0.103 -5.557) 5.606 16.138 ( -0.938 2.049 0.817) 2.397 16.162 ( -0.868 0.869 -0.087) 1.231 16.381 ( 1.377 -2.248 1.348) 2.961 16.410 ( 2.016 -2.397 -0.394) 3.157 ======================= Grid point 105 (50/72) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -2.111 3.504 2.644) 4.871 1.003 ( -1.393 3.881 2.387) 4.764 1.093 ( -1.246 9.503 8.240) 12.639 1.446 ( -2.745 7.005 -0.464) 7.538 1.513 ( -1.066 8.843 -3.702) 9.646 1.580 ( -11.520 11.120 -4.921) 16.750 1.843 ( -2.849 0.462 4.007) 4.938 1.968 ( -0.318 -8.894 -4.051) 9.779 2.059 ( 5.266 -1.727 0.660) 5.581 2.136 ( 2.921 -6.786 -0.975) 7.452 2.280 ( 4.675 0.226 2.076) 5.120 2.361 ( 1.663 -4.767 -1.856) 5.379 2.461 ( -2.789 -4.570 0.675) 5.396 2.542 ( -3.139 -1.546 -0.029) 3.499 2.582 ( 1.140 -4.614 -1.620) 5.021 2.649 ( -4.860 -6.881 1.413) 8.542 2.694 ( -1.382 4.814 12.182) 13.172 2.736 ( 3.291 1.030 6.109) 7.015 2.884 ( 0.984 -2.828 -1.547) 3.371 2.970 ( 0.464 1.398 -5.695) 5.882 3.111 ( -2.607 4.794 2.680) 6.080 3.249 ( -3.452 8.274 -10.871) 14.091 3.404 ( 0.260 5.631 6.771) 8.811 3.474 ( 2.837 5.651 -0.622) 6.354 3.742 ( -1.477 1.260 7.617) 7.861 3.832 ( 0.133 -1.792 -1.423) 2.292 3.847 ( 0.344 -1.463 1.496) 2.120 3.917 ( 0.869 1.507 0.690) 1.871 3.969 ( 2.666 2.585 -1.296) 3.933 4.027 ( 0.272 2.797 -0.661) 2.887 4.070 ( -0.873 -0.041 -1.726) 1.935 4.094 ( -1.453 1.230 -3.765) 4.219 4.264 ( 0.953 0.473 -3.158) 3.332 4.321 ( 1.707 1.795 -5.065) 5.638 4.368 ( -4.756 -2.782 4.679) 7.229 4.415 ( 4.476 0.139 6.549) 7.934 4.567 ( -1.062 0.449 -8.000) 8.083 4.710 ( -3.080 -2.613 -2.462) 4.731 4.820 ( 0.947 -2.427 -0.082) 2.607 4.844 ( 0.310 1.392 -1.231) 1.884 5.078 ( -2.023 2.346 0.528) 3.143 5.172 ( -1.187 0.634 -4.913) 5.094 5.567 ( 1.438 -3.687 4.205) 5.775 5.603 ( 1.312 -2.922 1.045) 3.369 5.654 ( 3.570 0.402 2.569) 4.416 5.813 ( 0.915 0.879 -5.732) 5.870 5.942 ( 2.018 -0.661 1.825) 2.800 5.983 ( 1.830 -0.468 -0.354) 1.922 6.116 ( 2.133 -5.026 6.767) 8.695 6.173 ( -0.638 -0.974 1.866) 2.200 6.213 ( -0.890 3.495 0.743) 3.682 6.355 ( 0.607 -4.155 -7.169) 8.308 6.888 ( 5.684 1.130 2.901) 6.481 6.910 ( 2.139 -1.415 0.070) 2.565 7.041 ( -2.601 -4.635 -0.901) 5.391 7.211 ( -6.660 -0.829 -0.611) 6.740 7.324 ( 3.004 -0.615 -3.285) 4.494 7.427 ( -1.747 0.866 -0.596) 2.039 7.594 ( 3.865 -0.616 -1.074) 4.058 7.780 ( -6.764 -0.722 0.964) 6.870 7.853 ( 2.319 2.985 1.428) 4.041 8.098 ( -5.485 1.983 -3.142) 6.625 8.331 ( 3.346 -0.758 4.380) 5.564 8.389 ( 2.157 -0.056 1.464) 2.607 8.422 ( -1.022 2.087 3.448) 4.158 8.539 ( -0.226 -2.059 0.699) 2.186 8.543 ( -0.922 0.593 -0.464) 1.191 8.630 ( 0.259 -2.474 -2.917) 3.834 11.743 ( 0.592 1.162 -1.405) 1.917 11.758 ( -0.990 1.205 1.033) 1.871 11.821 ( 0.305 -1.352 1.973) 2.411 11.885 ( -0.070 -1.464 -1.634) 2.195 15.174 ( -0.125 2.821 1.652) 3.271 15.240 ( 0.200 2.701 -2.347) 3.584 15.390 ( -0.151 -1.359 3.445) 3.706 15.483 ( 0.105 -1.225 -2.498) 2.785 15.667 ( -0.195 -0.381 4.593) 4.613 15.713 ( -0.854 -0.491 4.484) 4.591 15.787 ( -0.197 -0.357 -4.844) 4.861 15.824 ( 0.305 -0.354 -5.048) 5.070 16.082 ( -0.689 2.820 0.253) 2.914 16.121 ( -1.655 2.147 -0.124) 2.714 16.463 ( 2.881 -5.100 4.828) 7.591 16.529 ( 4.761 -6.094 -2.153) 8.028 ======================= Grid point 106 (51/72) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -2.499 6.515 17.178) 18.541 0.896 ( -4.522 2.085 10.791) 11.884 1.061 ( 0.313 -1.374 -0.897) 1.671 1.237 ( -8.493 10.514 6.823) 15.140 1.306 ( -7.175 5.348 -14.391) 16.947 1.354 ( 2.559 7.560 -12.717) 15.014 1.835 ( -1.247 0.678 15.835) 15.899 2.021 ( 0.243 -0.705 -3.204) 3.290 2.237 ( 4.644 -7.367 1.947) 8.923 2.259 ( 1.027 2.275 6.240) 6.721 2.299 ( -1.229 -6.433 4.134) 7.745 2.396 ( 0.037 -3.054 -2.639) 4.037 2.526 ( 1.223 1.680 5.650) 6.020 2.562 ( -3.000 -4.450 1.864) 5.682 2.585 ( -0.371 -0.776 4.215) 4.302 2.678 ( 0.306 -3.836 2.673) 4.686 2.775 ( 0.971 -2.675 -0.822) 2.962 2.807 ( 3.496 -3.572 -1.393) 5.189 2.920 ( 3.079 4.813 -0.543) 5.739 2.962 ( 0.113 -2.674 -8.395) 8.811 3.006 ( -4.400 2.095 -0.701) 4.923 3.052 ( -4.750 5.182 -15.362) 16.894 3.267 ( -2.684 7.636 7.112) 10.774 3.358 ( 3.442 8.848 -5.653) 11.049 3.710 ( -2.261 1.137 9.757) 10.080 3.828 ( 0.280 0.413 -3.538) 3.573 3.866 ( 0.156 1.022 3.818) 3.956 3.936 ( 0.259 1.901 0.046) 1.919 3.945 ( 2.702 -1.425 -0.254) 3.066 3.990 ( 1.071 1.295 1.069) 1.991 4.060 ( -2.504 -0.419 -1.917) 3.181 4.088 ( 0.039 -1.488 -5.333) 5.536 4.235 ( -1.511 2.437 -2.034) 3.516 4.251 ( -0.507 3.697 -7.156) 8.071 4.383 ( -1.046 -1.080 7.716) 7.861 4.490 ( 4.633 -1.761 3.437) 6.032 4.550 ( 3.271 1.262 -6.650) 7.517 4.702 ( -4.440 -0.679 -4.287) 6.209 4.827 ( -1.130 -0.115 4.897) 5.027 4.879 ( 1.109 -2.226 -4.509) 5.150 5.052 ( -0.065 -0.735 1.344) 1.533 5.149 ( -1.021 0.350 -4.610) 4.735 5.638 ( 0.430 -1.607 6.579) 6.786 5.644 ( -1.038 -0.003 8.022) 8.088 5.712 ( 3.782 -3.761 -2.498) 5.889 5.800 ( 1.315 0.343 -7.678) 7.798 5.979 ( 0.908 -1.630 1.464) 2.371 6.024 ( 1.129 -1.863 -1.287) 2.530 6.121 ( -1.853 3.528 5.012) 6.403 6.195 ( 2.703 0.167 -3.270) 4.246 6.237 ( 2.356 -3.797 7.677) 8.883 6.431 ( -0.502 -4.128 -7.385) 8.476 6.941 ( 6.862 -0.296 3.164) 7.562 6.973 ( 6.840 -1.216 -0.761) 6.988 7.077 ( -5.092 -2.756 0.445) 5.807 7.150 ( -7.842 0.351 -1.314) 7.959 7.341 ( 2.148 1.377 -0.005) 2.551 7.389 ( -1.081 1.361 -1.606) 2.366 7.647 ( 2.855 -1.610 2.377) 4.049 7.767 ( -4.632 -4.535 -2.629) 6.995 7.832 ( 3.249 2.626 1.936) 4.605 7.992 ( -6.629 3.292 -3.215) 8.070 8.333 ( 0.292 1.852 3.247) 3.749 8.371 ( -0.209 2.433 1.310) 2.771 8.418 ( 0.181 -0.123 5.659) 5.663 8.520 ( 0.146 0.204 -4.490) 4.497 8.612 ( 0.488 -4.424 1.264) 4.627 8.672 ( 0.481 -1.773 -3.274) 3.754 11.730 ( 0.487 0.711 -0.910) 1.253 11.731 ( -0.834 0.700 0.207) 1.108 11.849 ( 0.571 -0.906 2.400) 2.629 11.903 ( -0.382 -0.873 -1.532) 1.804 15.128 ( -0.114 1.986 1.606) 2.557 15.177 ( -0.304 3.439 -2.336) 4.169 15.432 ( 1.015 -2.024 2.898) 3.677 15.493 ( -0.187 -0.269 -1.791) 1.821 15.679 ( -0.273 -0.587 3.795) 3.850 15.722 ( -0.691 -0.635 3.281) 3.413 15.770 ( -0.646 1.229 -4.028) 4.261 15.825 ( -0.367 -0.353 -4.056) 4.088 16.037 ( 0.606 1.820 0.048) 1.919 16.066 ( -1.877 1.749 -0.036) 2.565 16.617 ( 3.303 -6.771 4.205) 8.628 16.687 ( 4.348 -6.277 -1.839) 7.854 ======================= Grid point 108 (52/72) ======================= q-point: ( 0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 5.475 0.000 7.721) 9.465 0.971 ( 2.930 0.000 11.533) 11.899 1.054 ( 0.465 0.000 5.800) 5.818 1.123 ( 12.456 0.000 6.499) 14.050 1.329 ( 8.987 0.000 -15.535) 17.948 1.370 ( 13.352 0.000 -14.118) 19.432 1.864 ( -1.015 -0.000 21.258) 21.283 1.991 ( -1.893 -0.000 -3.590) 4.058 2.150 ( -7.017 -0.000 14.506) 16.114 2.209 ( -7.338 -0.000 1.657) 7.523 2.337 ( -5.219 -0.000 -0.109) 5.220 2.467 ( -4.670 -0.000 0.132) 4.672 2.485 ( -5.192 -0.000 3.524) 6.275 2.562 ( 4.527 0.000 0.076) 4.528 2.666 ( 1.093 0.000 -1.986) 2.267 2.732 ( 0.442 0.000 7.107) 7.121 2.777 ( 0.490 0.000 -2.208) 2.262 2.862 ( -0.063 -0.000 2.803) 2.804 2.891 ( 0.283 0.000 -13.470) 13.473 2.968 ( 1.217 0.000 -7.279) 7.381 3.004 ( 5.478 0.000 -3.620) 6.567 3.029 ( 5.563 0.000 2.086) 5.942 3.180 ( 3.898 0.000 -3.047) 4.947 3.341 ( 1.550 0.000 -7.405) 7.566 3.695 ( -0.626 -0.000 9.629) 9.649 3.858 ( -0.702 -0.000 5.389) 5.435 3.881 ( 3.915 0.000 -5.958) 7.129 3.941 ( 1.208 0.000 -2.873) 3.117 3.956 ( -0.550 -0.000 -0.551) 0.778 4.010 ( 0.583 0.000 -0.536) 0.792 4.029 ( -0.400 -0.000 0.081) 0.408 4.083 ( -1.665 -0.000 -1.751) 2.417 4.132 ( 0.621 0.000 2.357) 2.438 4.226 ( 1.165 0.000 -5.297) 5.423 4.390 ( -1.545 -0.000 6.051) 6.245 4.517 ( -4.345 -0.000 -3.261) 5.432 4.576 ( 0.941 0.000 -11.109) 11.148 4.689 ( 3.537 0.000 1.851) 3.992 4.759 ( -4.680 -0.000 7.978) 9.250 4.922 ( 2.117 0.000 -3.194) 3.832 5.094 ( -0.491 -0.000 -3.502) 3.536 5.104 ( 1.483 0.000 3.118) 3.453 5.615 ( -3.090 -0.000 8.828) 9.353 5.651 ( -1.884 -0.000 5.834) 6.130 5.771 ( -1.969 -0.000 -7.119) 7.386 5.774 ( -2.549 -0.000 -4.914) 5.536 5.963 ( -3.385 -0.000 3.812) 5.098 6.004 ( -2.644 -0.000 -2.142) 3.402 6.058 ( -1.181 -0.000 7.820) 7.909 6.163 ( -3.937 -0.000 -3.266) 5.115 6.349 ( 0.517 0.000 7.069) 7.088 6.428 ( 0.148 0.000 -9.612) 9.613 6.909 ( -7.412 -0.000 -0.636) 7.440 6.915 ( -5.834 -0.000 -1.186) 5.953 7.206 ( 4.579 0.000 -1.194) 4.732 7.217 ( 5.706 0.000 -4.266) 7.124 7.329 ( 0.836 0.000 2.976) 3.091 7.350 ( 3.633 0.000 -0.364) 3.651 7.692 ( -2.451 -0.000 4.536) 5.156 7.756 ( -0.225 -0.000 -7.346) 7.349 7.927 ( 5.372 0.000 -4.006) 6.701 7.947 ( 6.779 0.000 4.311) 8.034 8.296 ( -3.733 -0.000 3.912) 5.408 8.339 ( 0.868 0.000 1.663) 1.876 8.420 ( 0.395 0.000 6.284) 6.297 8.493 ( -3.163 -0.000 -3.342) 4.601 8.626 ( -1.238 -0.000 0.849) 1.501 8.681 ( -0.202 -0.000 -2.484) 2.493 11.698 ( -0.723 -0.000 0.660) 0.979 11.750 ( 1.220 0.000 -1.025) 1.593 11.882 ( 0.331 0.000 2.322) 2.345 11.887 ( -0.774 -0.000 -1.541) 1.724 15.112 ( -0.478 -0.000 -0.166) 0.506 15.136 ( 0.924 0.000 1.220) 1.531 15.478 ( -0.306 -0.000 -1.637) 1.666 15.491 ( -0.201 -0.000 -1.039) 1.059 15.661 ( -1.179 -0.000 4.562) 4.712 15.756 ( 1.564 0.000 -3.162) 3.527 15.785 ( 3.401 0.000 3.046) 4.566 15.815 ( 0.885 0.000 -3.760) 3.863 16.015 ( -0.482 -0.000 -0.149) 0.504 16.068 ( 2.542 0.000 0.383) 2.571 16.630 ( -11.057 -0.000 2.098) 11.254 16.664 ( -6.464 -0.000 2.000) 6.767 ======================= Grid point 109 (53/72) ======================= q-point: ( 0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 1.710 -1.195 0.082) 2.088 1.008 ( -0.177 -0.863 2.027) 2.210 1.129 ( 7.251 -4.271 14.120) 16.437 1.306 ( 9.478 -1.745 -5.830) 11.264 1.349 ( 13.688 -2.276 -0.868) 13.903 1.622 ( 12.189 -9.464 -11.877) 19.473 1.889 ( 0.600 -0.376 8.712) 8.740 1.953 ( 0.401 2.091 -0.555) 2.201 2.115 ( -9.713 2.239 2.965) 10.399 2.173 ( -7.069 -4.163 9.841) 12.812 2.208 ( -2.998 4.424 2.996) 6.127 2.369 ( -1.454 4.968 -2.219) 5.632 2.465 ( -5.893 -1.429 5.427) 8.138 2.543 ( 1.385 4.625 1.230) 4.982 2.652 ( 1.404 2.737 -1.151) 3.284 2.732 ( 2.936 2.718 6.858) 7.940 2.794 ( -1.246 0.752 -1.817) 2.328 2.842 ( -2.669 -0.214 -0.279) 2.692 2.878 ( -0.856 4.892 -7.013) 8.594 2.975 ( 4.255 -4.167 -8.522) 10.397 3.054 ( 2.201 -2.666 0.191) 3.462 3.108 ( 6.437 -2.765 0.710) 7.042 3.270 ( 3.938 -5.300 -1.229) 6.716 3.415 ( -2.009 -7.067 -6.091) 9.544 3.701 ( -1.038 -0.372 9.407) 9.471 3.860 ( -1.462 -0.493 2.346) 2.808 3.909 ( 1.979 0.482 -7.291) 7.570 3.931 ( 0.515 1.101 -3.419) 3.629 3.966 ( -1.089 -1.302 -2.772) 3.250 4.018 ( -0.738 -0.664 -3.753) 3.882 4.027 ( 1.319 1.362 7.755) 7.983 4.069 ( 2.016 -1.840 -1.258) 3.006 4.178 ( 1.321 -1.852 2.320) 3.250 4.234 ( -0.118 -0.261 -1.274) 1.306 4.382 ( -3.055 0.153 4.472) 5.418 4.460 ( -3.124 -0.352 -1.845) 3.645 4.584 ( 3.889 0.533 -7.880) 8.804 4.713 ( 0.617 0.048 1.054) 1.222 4.744 ( -2.377 -1.150 4.983) 5.639 4.931 ( 2.183 0.688 -4.301) 4.872 5.098 ( 1.921 -0.574 -2.412) 3.137 5.125 ( 3.494 0.074 1.875) 3.966 5.573 ( -3.323 1.849 6.908) 7.886 5.651 ( -2.701 -1.652 2.748) 4.192 5.699 ( -3.143 3.504 -2.407) 5.287 5.725 ( -5.515 1.364 -4.813) 7.446 5.931 ( -3.073 -0.155 2.056) 3.701 5.961 ( -2.761 1.336 -0.617) 3.128 6.098 ( 0.091 -3.553 3.917) 5.289 6.161 ( -2.757 -2.638 0.005) 3.815 6.319 ( -1.008 3.619 5.439) 6.611 6.374 ( 0.524 4.243 -9.125) 10.077 6.836 ( -5.620 0.977 0.036) 5.704 6.897 ( -4.082 -2.572 -2.190) 5.299 7.149 ( 0.709 4.313 -0.875) 4.458 7.250 ( 1.813 1.169 -0.220) 2.169 7.387 ( 2.947 -0.411 -0.320) 2.993 7.393 ( 5.553 -0.668 -1.755) 5.862 7.602 ( -0.745 4.997 1.804) 5.365 7.816 ( -1.163 -4.237 -4.845) 6.540 7.918 ( 6.114 3.091 -3.125) 7.530 8.051 ( 6.008 -2.161 4.080) 7.577 8.286 ( -6.168 -2.365 3.438) 7.447 8.353 ( 0.815 0.085 2.756) 2.876 8.430 ( -0.300 0.058 2.592) 2.610 8.477 ( -1.474 -1.791 1.310) 2.664 8.600 ( 0.213 2.171 1.196) 2.488 8.658 ( -0.250 1.569 -3.676) 4.004 11.700 ( -0.387 -0.649 0.834) 1.126 11.767 ( 0.953 -0.862 -1.196) 1.755 11.869 ( -0.430 1.031 -0.430) 1.197 11.879 ( -0.004 0.837 1.106) 1.387 15.117 ( -0.401 -1.194 1.663) 2.086 15.188 ( 0.678 -3.858 -0.966) 4.034 15.461 ( -1.146 2.060 0.989) 2.557 15.468 ( -0.062 0.665 -1.902) 2.016 15.660 ( -0.348 0.001 4.881) 4.893 15.754 ( 1.136 1.003 -0.138) 1.522 15.801 ( 1.450 0.933 -2.550) 3.078 15.834 ( 2.300 -0.172 -2.977) 3.766 16.037 ( 0.793 -2.477 0.210) 2.610 16.107 ( 2.752 -1.383 0.225) 3.088 16.494 ( -8.905 3.860 4.837) 10.844 16.564 ( -7.475 3.346 -0.968) 8.246 ======================= Grid point 110 (54/72) ======================= q-point: ( 0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -0.280 -0.889 -0.017) 0.933 1.037 ( 0.495 -0.988 -0.638) 1.276 1.325 ( 6.726 -7.509 10.846) 14.807 1.406 ( 8.960 -3.394 -11.734) 15.149 1.553 ( 3.928 -7.675 8.116) 11.841 1.784 ( 0.418 0.334 -5.043) 5.071 1.927 ( 8.542 0.143 1.146) 8.620 1.963 ( -6.480 0.621 0.245) 6.514 1.983 ( 3.058 -0.073 0.477) 3.096 2.080 ( 2.002 3.339 -9.044) 9.847 2.256 ( -3.026 2.856 5.724) 7.077 2.287 ( 0.241 0.833 -1.232) 1.506 2.389 ( -4.578 0.766 6.170) 7.721 2.489 ( -3.919 0.636 1.541) 4.259 2.592 ( -0.853 4.680 1.119) 4.887 2.683 ( -0.910 4.989 -0.957) 5.161 2.720 ( -2.465 5.669 2.681) 6.738 2.757 ( -0.747 4.214 -0.858) 4.365 2.837 ( 2.997 -1.324 0.519) 3.317 3.123 ( 0.547 -3.905 0.060) 3.944 3.160 ( 4.979 -9.069 -3.922) 11.064 3.226 ( 3.825 -4.053 4.554) 7.197 3.374 ( 0.204 -3.250 -1.332) 3.519 3.504 ( -2.541 -4.920 -3.257) 6.424 3.720 ( -1.463 -1.718 8.063) 8.373 3.831 ( -2.261 4.166 -0.243) 4.746 3.858 ( -2.571 -0.748 -1.371) 3.008 3.937 ( -2.645 0.886 -1.984) 3.424 3.958 ( 3.110 -1.726 -5.223) 6.319 4.038 ( 0.293 -1.967 2.085) 2.881 4.073 ( 1.658 -1.937 2.059) 3.278 4.119 ( 1.901 -1.354 -3.176) 3.942 4.198 ( -1.628 0.159 0.282) 1.660 4.225 ( 0.515 0.944 1.851) 2.140 4.368 ( -0.693 -1.389 3.622) 3.941 4.482 ( 0.216 -1.836 -0.819) 2.022 4.583 ( 2.478 2.426 -2.883) 4.509 4.721 ( 1.490 -0.394 -1.778) 2.353 4.747 ( -0.827 0.253 2.031) 2.207 4.919 ( 0.613 1.290 -6.194) 6.356 5.142 ( 3.879 -1.018 -0.301) 4.022 5.175 ( 4.711 -1.223 0.509) 4.894 5.548 ( 0.600 -0.135 3.378) 3.434 5.571 ( -6.226 3.326 -2.243) 7.406 5.621 ( -7.338 1.919 -2.593) 8.016 5.699 ( -0.268 -2.567 3.925) 4.697 5.910 ( -3.057 1.080 -0.423) 3.269 5.937 ( -2.376 -2.935 -1.042) 3.917 6.151 ( -0.430 2.264 5.852) 6.289 6.184 ( 0.615 -3.360 -2.173) 4.048 6.234 ( -1.216 4.742 2.921) 5.701 6.308 ( 0.246 0.902 -6.838) 6.902 6.789 ( -3.375 -0.394 2.195) 4.045 6.909 ( -2.603 -2.239 -3.816) 5.133 7.080 ( 2.268 4.925 0.319) 5.431 7.226 ( -0.762 1.459 1.679) 2.352 7.380 ( 2.918 3.261 -2.970) 5.289 7.435 ( 0.713 0.133 -1.179) 1.384 7.552 ( 2.435 0.650 0.979) 2.704 7.830 ( -2.701 -0.252 -2.582) 3.745 7.941 ( 4.983 0.495 -2.331) 5.524 8.143 ( 5.690 -1.978 3.106) 6.778 8.254 ( -6.087 -0.003 1.431) 6.253 8.358 ( 0.429 0.119 3.216) 3.247 8.445 ( -0.597 -1.998 0.507) 2.147 8.507 ( -0.599 -1.312 2.823) 3.170 8.561 ( -0.293 2.209 2.373) 3.255 8.624 ( 0.553 1.556 -4.273) 4.581 11.716 ( -0.043 -1.187 1.070) 1.599 11.792 ( 0.160 -1.328 -1.673) 2.142 11.843 ( 0.132 1.413 -0.199) 1.433 11.857 ( -0.105 1.567 0.920) 1.820 15.150 ( -0.389 -2.382 2.654) 3.588 15.263 ( 0.143 -3.706 -3.003) 4.773 15.413 ( -0.905 2.132 3.185) 3.939 15.450 ( 0.209 1.108 -1.726) 2.062 15.664 ( 0.004 0.158 4.681) 4.684 15.741 ( 0.185 1.206 2.423) 2.713 15.788 ( 0.902 0.992 -4.029) 4.246 15.835 ( 1.063 0.879 -4.625) 4.826 16.108 ( 1.777 -3.352 -0.028) 3.794 16.155 ( 2.307 -1.031 -0.042) 2.528 16.374 ( -5.028 2.596 4.437) 7.191 16.444 ( -5.254 2.621 -1.977) 6.196 ======================= Grid point 111 (55/72) ======================= q-point: (-0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 0.058 -0.641 1.201) 1.363 1.042 ( -0.114 0.361 -1.314) 1.367 1.500 ( 4.736 -2.536 3.185) 6.246 1.522 ( 2.822 -3.694 -1.320) 4.833 1.702 ( -0.560 -0.325 -6.760) 6.791 1.711 ( 0.736 -0.014 11.762) 11.785 1.815 ( -6.827 3.739 -0.714) 7.817 1.989 ( 0.823 2.770 -5.333) 6.066 2.051 ( 7.327 -0.267 -2.320) 7.691 2.099 ( 0.595 5.321 1.499) 5.560 2.139 ( 7.488 -0.051 -5.379) 9.220 2.259 ( 4.234 1.704 -4.157) 6.173 2.409 ( -8.329 -0.120 3.586) 9.069 2.460 ( -5.038 -5.865 2.709) 8.192 2.483 ( -2.955 2.926 0.355) 4.174 2.584 ( -3.330 3.399 0.532) 4.788 2.632 ( -1.254 0.558 2.685) 3.015 2.707 ( -0.419 0.550 -1.399) 1.561 2.920 ( 7.358 -1.211 -0.487) 7.473 3.123 ( -4.496 2.203 4.173) 6.518 3.282 ( -0.015 2.268 5.891) 6.313 3.359 ( 4.041 -5.296 -2.570) 7.141 3.424 ( 2.782 -2.852 0.914) 4.088 3.526 ( -2.399 -1.244 -0.681) 2.787 3.748 ( -2.168 -0.941 5.206) 5.717 3.762 ( -0.486 -0.016 4.411) 4.438 3.854 ( -1.494 -0.363 -2.826) 3.217 3.914 ( 0.269 -0.056 1.270) 1.300 4.015 ( 0.305 -1.711 -0.452) 1.796 4.070 ( 2.396 -0.523 -2.263) 3.337 4.107 ( -1.565 -0.034 -1.239) 1.996 4.119 ( -2.275 -0.591 -3.421) 4.151 4.189 ( -1.835 -2.124 4.369) 5.193 4.240 ( 2.497 -0.768 -1.528) 3.027 4.402 ( 0.855 -1.199 1.913) 2.415 4.486 ( 2.063 2.707 -8.334) 9.002 4.552 ( 0.158 1.616 3.247) 3.630 4.699 ( -1.995 1.944 2.664) 3.854 4.765 ( 2.597 -0.862 -3.167) 4.185 4.889 ( -0.343 0.991 -5.892) 5.984 5.172 ( 2.119 1.470 0.909) 2.734 5.222 ( 2.208 0.959 -1.426) 2.798 5.486 ( -3.175 -0.033 1.009) 3.332 5.527 ( -3.093 -0.192 -0.492) 3.138 5.622 ( 4.017 -2.606 -0.594) 4.825 5.753 ( -1.564 -3.249 2.609) 4.451 5.885 ( -1.928 -1.687 0.094) 2.563 5.991 ( -2.251 -5.488 -2.226) 6.335 6.075 ( 0.699 5.312 4.231) 6.827 6.131 ( -0.131 5.224 1.344) 5.395 6.254 ( 1.464 -2.478 -3.297) 4.377 6.310 ( -1.093 -0.968 -2.306) 2.729 6.799 ( -1.917 -2.766 4.197) 5.379 6.923 ( -1.321 -2.027 -4.692) 5.280 7.014 ( 4.470 5.346 1.156) 7.063 7.195 ( -3.754 0.224 1.447) 4.029 7.337 ( 2.181 2.496 -3.528) 4.841 7.418 ( -2.154 0.241 -0.249) 2.181 7.596 ( 5.347 -0.549 -1.253) 5.519 7.793 ( -4.287 0.556 -1.316) 4.519 7.954 ( 2.908 2.003 1.125) 3.706 8.172 ( -3.741 1.592 -3.064) 5.091 8.257 ( 4.390 -2.609 4.342) 6.704 8.369 ( 1.893 -0.028 2.521) 3.153 8.479 ( -1.212 -1.968 0.367) 2.340 8.516 ( -0.364 -0.281 0.961) 1.065 8.519 ( -2.041 1.499 3.496) 4.317 8.605 ( 0.323 0.691 -3.160) 3.251 11.743 ( 0.259 -1.423 1.155) 1.850 11.799 ( -0.966 0.376 -0.835) 1.331 11.826 ( 0.175 1.763 0.353) 1.807 11.834 ( 0.576 -0.436 -0.707) 1.011 15.196 ( 0.144 -2.237 2.460) 3.329 15.290 ( -1.189 0.285 -0.374) 1.278 15.394 ( 0.345 0.006 -0.121) 0.365 15.434 ( 0.273 0.337 -0.926) 1.023 15.665 ( -0.108 0.238 4.868) 4.875 15.721 ( -0.708 1.036 4.078) 4.267 15.778 ( 0.792 0.325 -4.932) 5.006 15.823 ( 0.696 0.419 -5.377) 5.438 16.153 ( -0.372 -0.033 1.259) 1.313 16.178 ( 1.463 0.580 -0.731) 1.735 16.344 ( -0.374 -2.004 1.513) 2.539 16.385 ( -2.245 -0.349 -0.432) 2.313 ======================= Grid point 112 (56/72) ======================= q-point: (-0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -0.530 1.372 0.534) 1.565 1.022 ( 0.238 1.132 -0.704) 1.355 1.391 ( 4.501 15.309 5.361) 16.833 1.561 ( -1.197 6.052 3.072) 6.891 1.633 ( -4.876 2.483 -0.250) 5.477 1.693 ( -0.017 8.115 -1.957) 8.347 1.786 ( -2.925 -6.054 -3.103) 7.405 1.850 ( -1.023 4.189 -5.325) 6.852 2.079 ( 5.492 -1.762 0.351) 5.778 2.103 ( 3.195 1.054 -0.623) 3.421 2.269 ( 5.099 -6.170 -4.204) 9.040 2.297 ( -2.469 -4.970 4.033) 6.861 2.362 ( -0.729 -0.462 -0.908) 1.253 2.455 ( -4.747 -1.574 -3.200) 5.937 2.518 ( -1.458 -3.905 3.259) 5.291 2.544 ( -1.030 -1.938 0.126) 2.199 2.666 ( -0.277 -3.082 2.669) 4.087 2.735 ( -0.592 -4.620 -1.587) 4.921 2.937 ( -2.032 7.015 9.521) 11.999 3.028 ( 2.776 2.323 -1.720) 4.008 3.197 ( -1.103 6.056 4.774) 7.790 3.348 ( -1.662 5.261 -6.856) 8.800 3.488 ( 2.817 1.084 4.203) 5.174 3.546 ( 0.261 -0.568 1.636) 1.752 3.751 ( -0.374 -0.335 4.422) 4.450 3.811 ( 0.723 -3.028 5.577) 6.387 3.832 ( 1.019 1.303 -2.086) 2.662 3.934 ( 0.407 -0.148 2.817) 2.850 4.007 ( -2.045 0.874 -1.866) 2.903 4.049 ( -0.786 1.472 0.142) 1.675 4.097 ( 0.489 1.543 -3.070) 3.470 4.104 ( -0.659 0.256 -6.467) 6.506 4.244 ( -2.100 -4.256 4.039) 6.232 4.281 ( 1.154 -1.479 -0.213) 1.888 4.399 ( 0.922 3.710 -6.036) 7.145 4.453 ( 3.191 0.045 1.868) 3.698 4.527 ( -1.920 0.335 -1.480) 2.448 4.663 ( -1.401 0.059 -2.035) 2.471 4.797 ( 1.082 -1.156 -0.100) 1.586 4.866 ( 0.008 0.823 -3.653) 3.744 5.126 ( -0.304 3.834 0.845) 3.938 5.182 ( -0.750 2.317 -3.476) 4.245 5.512 ( -0.033 -3.171 3.107) 4.439 5.558 ( 0.704 -3.349 -0.315) 3.437 5.693 ( 4.009 -0.235 0.342) 4.030 5.787 ( -2.169 -2.720 -1.557) 3.811 5.942 ( 0.153 -3.397 3.184) 4.658 6.006 ( 1.069 2.995 1.682) 3.598 6.067 ( -0.650 -0.434 2.463) 2.584 6.090 ( -0.225 -5.946 -1.817) 6.221 6.264 ( -0.560 2.082 0.352) 2.184 6.317 ( 0.830 -0.788 -4.738) 4.875 6.856 ( -0.858 -4.139 4.357) 6.070 6.949 ( -0.939 -2.138 -2.159) 3.181 6.989 ( 6.239 2.272 0.308) 6.647 7.144 ( -6.184 0.270 -0.880) 6.252 7.341 ( 3.510 -0.298 -3.163) 4.734 7.396 ( -3.113 -0.528 -1.224) 3.387 7.647 ( 5.885 0.490 -1.428) 6.076 7.731 ( -5.805 1.002 0.139) 5.892 7.935 ( 3.054 2.851 2.803) 5.031 8.090 ( -4.487 2.550 -4.042) 6.555 8.347 ( 3.333 -1.933 5.408) 6.640 8.404 ( 3.118 -0.886 1.620) 3.624 8.450 ( -2.535 2.124 3.785) 5.027 8.518 ( -0.859 -1.230 2.114) 2.592 8.520 ( -0.888 -0.537 -2.511) 2.717 8.595 ( -0.381 -0.554 -2.505) 2.594 11.764 ( 0.156 0.070 0.226) 0.283 11.773 ( -0.558 1.332 0.216) 1.460 11.809 ( 0.508 -0.087 1.290) 1.389 11.854 ( -0.151 -1.417 -1.807) 2.301 15.219 ( 0.364 1.263 1.926) 2.331 15.265 ( -0.785 0.412 0.278) 0.929 15.388 ( 0.648 0.768 0.670) 1.208 15.449 ( -0.397 -1.699 -2.449) 3.007 15.666 ( -0.611 -0.020 5.578) 5.612 15.709 ( -0.625 0.071 4.857) 4.897 15.777 ( 0.675 -0.163 -5.489) 5.532 15.819 ( 0.716 -0.007 -5.907) 5.950 16.125 ( -0.563 2.088 1.482) 2.622 16.155 ( 0.075 2.394 -1.053) 2.617 16.397 ( -0.403 -3.608 3.463) 5.017 16.442 ( 1.621 -5.688 -1.940) 6.224 ======================= Grid point 113 (57/72) ======================= q-point: (-0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -0.012 4.869 4.127) 6.383 1.007 ( 0.662 1.048 -1.691) 2.096 1.162 ( 6.468 14.525 10.199) 18.890 1.368 ( -5.688 9.940 5.507) 12.707 1.379 ( -7.243 11.502 -8.598) 16.084 1.560 ( 7.959 10.252 -10.203) 16.509 1.831 ( -0.710 -2.599 7.784) 8.237 1.944 ( -1.143 -6.500 -5.074) 8.325 2.148 ( 2.460 -4.539 0.479) 5.185 2.155 ( -0.452 -5.340 -0.421) 5.376 2.345 ( 0.251 2.927 4.378) 5.272 2.360 ( -2.178 -0.656 0.751) 2.396 2.415 ( -1.847 -8.595 2.053) 9.027 2.491 ( 0.456 -4.977 -3.317) 5.998 2.577 ( -3.221 -1.433 3.509) 4.974 2.603 ( 1.085 -4.141 1.480) 4.530 2.724 ( 0.846 -4.158 6.783) 8.001 2.810 ( 0.896 2.756 7.775) 8.297 2.843 ( -0.307 -6.894 -4.026) 7.989 3.013 ( 3.003 3.532 -5.528) 7.215 3.067 ( -1.449 6.996 2.848) 7.691 3.187 ( -0.130 9.342 -11.770) 15.027 3.409 ( -1.746 8.044 7.731) 11.292 3.524 ( 2.565 4.945 -3.406) 6.530 3.731 ( -1.701 1.990 6.894) 7.374 3.834 ( 2.260 -0.182 -2.857) 3.647 3.884 ( 1.191 -2.182 2.803) 3.746 3.917 ( -1.216 0.459 0.342) 1.344 3.981 ( 0.090 1.040 0.958) 1.417 4.029 ( -0.295 1.498 -1.108) 1.886 4.053 ( 0.558 1.626 -2.465) 3.005 4.077 ( 0.032 1.234 -5.178) 5.323 4.265 ( -0.405 1.910 -1.778) 2.641 4.278 ( -3.710 0.415 -1.492) 4.020 4.369 ( 1.711 -0.219 4.309) 4.641 4.495 ( 0.701 -1.022 8.651) 8.739 4.535 ( -0.032 -3.289 -9.914) 10.446 4.659 ( 0.367 -0.283 -5.540) 5.559 4.817 ( -1.990 -0.657 1.843) 2.791 4.861 ( 2.261 -0.246 -2.566) 3.429 5.066 ( 0.326 2.166 2.320) 3.190 5.141 ( -0.946 0.798 -5.150) 5.297 5.578 ( -1.370 -3.528 4.832) 6.138 5.629 ( 1.058 -3.171 1.235) 3.564 5.707 ( 1.466 0.680 1.487) 2.196 5.801 ( -1.038 -0.730 -5.585) 5.728 5.965 ( -0.097 -0.007 2.533) 2.535 5.996 ( -0.121 -1.062 -0.455) 1.162 6.146 ( -0.653 -4.884 6.231) 7.944 6.174 ( 0.176 0.093 0.396) 0.443 6.218 ( 0.951 -0.897 1.816) 2.238 6.340 ( 0.215 -2.657 -8.074) 8.502 6.942 ( -0.109 -4.551 3.531) 5.761 6.975 ( -1.277 -2.166 0.934) 2.682 7.034 ( 7.080 -0.180 -0.003) 7.082 7.084 ( -5.597 -0.014 -3.615) 6.663 7.375 ( -2.883 -0.110 -1.670) 3.334 7.384 ( 3.628 -0.651 -2.533) 4.473 7.647 ( -4.667 0.917 2.991) 5.619 7.707 ( 5.088 -0.799 -3.296) 6.115 7.923 ( 4.633 2.602 3.122) 6.163 7.991 ( -5.078 3.116 -3.877) 7.108 8.379 ( -0.603 1.588 4.533) 4.841 8.403 ( -0.561 -0.077 3.469) 3.515 8.433 ( 0.521 2.128 2.925) 3.654 8.512 ( 0.123 -0.530 -4.521) 4.554 8.543 ( -0.954 -2.586 4.434) 5.221 8.625 ( 0.205 -2.729 -3.555) 4.487 11.738 ( -1.252 1.163 0.784) 1.880 11.757 ( 1.234 1.240 -1.147) 2.092 11.835 ( 0.534 -1.393 2.281) 2.725 11.875 ( -0.551 -1.418 -1.905) 2.438 15.174 ( -0.866 2.885 2.914) 4.190 15.240 ( 1.003 2.981 -4.078) 5.150 15.405 ( 0.557 -1.829 4.000) 4.433 15.469 ( -0.684 -1.352 -2.852) 3.230 15.669 ( -1.272 -0.392 5.563) 5.720 15.716 ( -0.118 -0.366 5.103) 5.117 15.778 ( 0.836 0.107 -5.805) 5.866 15.819 ( 0.717 0.084 -5.763) 5.808 16.084 ( 0.461 2.348 0.770) 2.514 16.099 ( -0.319 3.067 -0.822) 3.191 16.495 ( -1.005 -7.084 5.617) 9.096 16.572 ( 0.398 -7.266 -2.686) 7.757 ======================= Grid point 116 (58/72) ======================= q-point: ( 0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -0.467 -0.000 -0.904) 1.017 0.992 ( -0.018 -0.000 2.083) 2.083 1.210 ( 11.307 0.000 11.689) 16.263 1.364 ( 8.699 0.000 2.497) 9.050 1.537 ( 15.817 0.000 -6.289) 17.021 1.580 ( 11.405 0.000 -13.115) 17.381 1.896 ( 0.718 0.000 6.205) 6.246 1.979 ( 1.957 0.000 -0.548) 2.033 2.065 ( -7.394 -0.000 0.177) 7.396 2.065 ( -7.390 -0.000 18.797) 20.197 2.245 ( -4.369 -0.000 7.357) 8.556 2.386 ( -5.617 -0.000 0.762) 5.669 2.389 ( -3.099 -0.000 -1.845) 3.606 2.596 ( -1.263 -0.000 1.208) 1.748 2.672 ( -0.289 -0.000 0.214) 0.359 2.779 ( 3.002 0.000 5.743) 6.481 2.792 ( 2.173 0.000 -11.038) 11.250 2.859 ( -1.064 -0.000 3.114) 3.291 2.868 ( 0.125 0.000 -7.071) 7.072 2.993 ( 3.446 0.000 -6.057) 6.969 3.052 ( 0.689 0.000 -0.420) 0.807 3.133 ( 3.641 0.000 3.805) 5.266 3.283 ( 6.806 0.000 -4.927) 8.402 3.284 ( -5.048 -0.000 -4.588) 6.821 3.697 ( -2.323 -0.000 10.070) 10.334 3.855 ( -0.730 -0.000 4.204) 4.267 3.902 ( -1.112 -0.000 -8.402) 8.476 3.947 ( 1.118 0.000 -5.624) 5.734 3.953 ( 0.545 0.000 -1.418) 1.519 3.999 ( -0.139 -0.000 -5.989) 5.990 4.043 ( 1.669 0.000 2.174) 2.740 4.093 ( 2.178 0.000 10.571) 10.793 4.195 ( 5.268 0.000 0.311) 5.278 4.228 ( -0.084 -0.000 -3.153) 3.154 4.360 ( -3.380 -0.000 4.509) 5.635 4.411 ( -3.992 -0.000 -7.018) 8.074 4.621 ( 5.266 0.000 -8.031) 9.603 4.697 ( -4.030 -0.000 10.877) 11.600 4.732 ( 0.580 0.000 2.611) 2.675 4.948 ( 1.503 0.000 -6.706) 6.872 5.117 ( 4.484 0.000 -1.965) 4.896 5.170 ( 5.294 0.000 1.803) 5.593 5.558 ( -5.566 -0.000 4.745) 7.314 5.611 ( -4.935 -0.000 3.699) 6.167 5.684 ( -4.669 -0.000 -6.364) 7.893 5.684 ( -5.555 -0.000 0.327) 5.565 5.904 ( -3.894 -0.000 4.021) 5.597 5.962 ( -1.184 -0.000 -3.274) 3.481 6.065 ( -0.136 -0.000 5.591) 5.593 6.096 ( -2.417 -0.000 -0.653) 2.503 6.345 ( -2.430 -0.000 5.352) 5.878 6.414 ( 1.064 0.000 -9.609) 9.668 6.800 ( -4.321 -0.000 -0.601) 4.363 6.832 ( -3.120 -0.000 -1.016) 3.281 7.185 ( -3.387 -0.000 -0.029) 3.387 7.223 ( -0.975 -0.000 -4.556) 4.660 7.435 ( 7.521 0.000 1.114) 7.603 7.474 ( 7.217 0.000 -0.496) 7.234 7.668 ( -1.601 -0.000 3.662) 3.997 7.745 ( 0.557 0.000 -7.476) 7.496 8.002 ( 4.392 0.000 -4.995) 6.651 8.077 ( 5.781 0.000 5.929) 8.281 8.209 ( -6.487 -0.000 4.397) 7.837 8.363 ( -0.862 -0.000 2.940) 3.064 8.432 ( -0.424 -0.000 -1.730) 1.781 8.452 ( 0.786 0.000 6.323) 6.372 8.624 ( 0.197 0.000 -0.069) 0.208 8.663 ( -0.596 -0.000 -4.070) 4.113 11.694 ( 0.023 0.000 0.968) 0.968 11.764 ( 0.389 0.000 -1.358) 1.413 11.875 ( -0.013 -0.000 -1.067) 1.067 11.888 ( -0.268 -0.000 1.916) 1.935 15.111 ( 0.311 0.000 0.428) 0.529 15.151 ( 0.222 0.000 1.256) 1.275 15.465 ( -2.031 -0.000 0.265) 2.049 15.472 ( 0.021 0.000 -1.760) 1.760 15.665 ( -0.043 -0.000 5.230) 5.230 15.773 ( 1.346 0.000 -4.389) 4.590 15.830 ( 1.487 0.000 -2.373) 2.800 15.852 ( 2.971 0.000 0.089) 2.972 16.024 ( 1.797 0.000 1.135) 2.126 16.121 ( 3.178 0.000 0.373) 3.200 16.444 ( -9.849 -0.000 4.718) 10.921 16.517 ( -9.006 -0.000 -1.292) 9.098 ======================= Grid point 117 (59/72) ======================= q-point: ( 0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -0.382 -0.844 0.170) 0.942 1.010 ( -0.227 -1.530 -0.266) 1.569 1.330 ( 9.114 -1.385 8.171) 12.318 1.465 ( 7.552 -3.512 0.090) 8.329 1.542 ( 8.081 4.297 -5.796) 10.833 1.761 ( 5.420 -4.458 -3.869) 8.013 1.909 ( -7.607 1.317 0.936) 7.777 1.964 ( -0.089 -1.386 0.708) 1.559 2.040 ( 3.193 0.613 5.419) 6.319 2.084 ( 1.864 -4.791 2.590) 5.756 2.203 ( 1.054 1.335 6.250) 6.477 2.335 ( -3.335 2.244 0.121) 4.021 2.365 ( -3.787 -0.185 2.383) 4.479 2.536 ( -3.218 4.299 -0.002) 5.370 2.642 ( -2.404 2.359 1.861) 3.848 2.756 ( -2.153 3.011 -3.462) 5.068 2.794 ( 0.377 5.405 0.650) 5.457 2.833 ( 1.046 2.176 -1.993) 3.131 2.850 ( 2.664 0.205 -0.712) 2.765 3.051 ( 5.106 -4.484 -3.533) 7.659 3.065 ( -0.285 -3.121 -1.985) 3.710 3.192 ( 0.120 -4.247 4.188) 5.966 3.294 ( -1.964 -4.270 -2.032) 5.120 3.378 ( 1.897 -4.909 -4.989) 7.251 3.691 ( -2.635 -0.766 9.512) 9.900 3.834 ( -2.154 1.408 0.988) 2.757 3.870 ( -2.666 1.310 -5.812) 6.527 3.927 ( -0.092 1.361 -2.279) 2.656 3.962 ( 2.168 -0.395 -3.769) 4.367 4.017 ( 1.073 -1.445 -2.201) 2.843 4.072 ( 1.049 -0.366 4.669) 4.799 4.122 ( 2.255 -0.200 3.164) 3.890 4.203 ( 0.000 0.841 0.424) 0.942 4.258 ( 3.564 0.282 -0.441) 3.602 4.333 ( -1.803 -1.010 1.466) 2.534 4.420 ( -1.283 -3.942 -3.868) 5.670 4.637 ( 1.534 1.630 1.503) 2.697 4.706 ( 0.650 -1.894 0.403) 2.042 4.745 ( 0.107 -0.380 3.021) 3.047 4.938 ( 0.508 1.127 -8.610) 8.698 5.175 ( 7.044 -0.658 -0.850) 7.126 5.221 ( 6.253 0.315 1.219) 6.379 5.516 ( -6.696 -0.891 -0.240) 6.759 5.541 ( -8.253 0.461 0.684) 8.294 5.597 ( -4.085 2.750 0.195) 4.929 5.677 ( -0.587 -1.161 1.473) 1.965 5.874 ( -3.603 -0.294 1.725) 4.005 5.922 ( -1.116 2.063 -2.131) 3.169 6.112 ( 0.428 -3.734 2.439) 4.481 6.120 ( -1.779 -3.551 1.614) 4.287 6.292 ( -2.771 3.458 4.247) 6.138 6.374 ( 1.726 3.870 -8.095) 9.137 6.765 ( -2.398 0.200 0.795) 2.534 6.835 ( -2.236 -2.546 -2.454) 4.184 7.137 ( -0.797 1.540 0.037) 1.734 7.227 ( -2.138 -0.835 -2.751) 3.583 7.452 ( 3.835 3.898 1.308) 5.622 7.514 ( 5.485 2.866 -2.947) 6.854 7.609 ( 1.134 2.648 2.733) 3.970 7.777 ( -2.316 -2.182 -3.903) 5.036 8.011 ( 5.449 1.857 -3.378) 6.675 8.161 ( 4.817 -2.240 4.565) 7.005 8.173 ( -6.827 -1.717 2.810) 7.579 8.347 ( -2.599 -0.364 1.872) 3.223 8.442 ( 2.270 0.001 1.320) 2.626 8.480 ( -0.310 -1.439 4.654) 4.881 8.603 ( -0.052 2.142 -0.104) 2.145 8.644 ( -0.055 1.016 -4.636) 4.746 11.703 ( 0.369 -0.613 1.174) 1.375 11.769 ( -0.331 -0.752 -1.789) 1.969 11.868 ( 0.453 0.909 -0.143) 1.026 11.879 ( -0.360 0.818 1.106) 1.422 15.121 ( 0.371 -0.950 2.126) 2.357 15.190 ( -0.209 -3.469 -1.034) 3.626 15.436 ( -1.759 1.220 2.238) 3.097 15.467 ( 0.325 0.500 -2.036) 2.121 15.671 ( -0.064 0.027 5.078) 5.079 15.769 ( 0.947 1.031 -3.036) 3.343 15.820 ( 1.274 1.707 -1.679) 2.713 15.861 ( 1.055 1.207 -2.687) 3.129 16.076 ( 3.297 -2.491 1.732) 4.480 16.160 ( 2.900 -0.955 0.044) 3.053 16.358 ( -7.107 1.055 4.528) 8.493 16.422 ( -7.063 1.435 -2.553) 7.646 ======================= Grid point 118 (60/72) ======================= q-point: ( 0.57 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 0.186 -1.275 1.181) 1.748 1.031 ( -0.437 -1.129 -1.112) 1.644 1.434 ( 2.229 -3.169 5.054) 6.368 1.544 ( 0.993 -1.901 -3.724) 4.297 1.624 ( 9.702 -3.784 -0.522) 10.427 1.765 ( -6.605 2.961 -1.529) 7.398 1.813 ( -1.479 0.825 6.058) 6.291 2.003 ( -1.617 -1.601 -5.904) 6.327 2.124 ( 9.198 -1.320 3.020) 9.771 2.193 ( 9.122 1.937 -4.713) 10.449 2.219 ( -2.115 0.812 5.488) 5.937 2.269 ( -5.546 -4.154 4.280) 8.145 2.335 ( 2.977 1.643 -3.578) 4.936 2.397 ( -6.196 5.406 -0.631) 8.247 2.553 ( -1.989 4.956 2.780) 6.021 2.628 ( -6.224 6.224 2.022) 9.031 2.682 ( 0.726 5.979 -1.205) 6.143 2.743 ( -0.049 3.203 -5.007) 5.944 2.955 ( 7.232 -2.683 2.614) 8.145 3.091 ( -3.914 -1.758 1.102) 4.430 3.241 ( 3.924 -8.119 1.003) 9.073 3.300 ( 0.756 -6.211 5.582) 8.385 3.354 ( -1.556 -4.205 -3.698) 5.812 3.455 ( -1.034 -3.285 -3.947) 5.238 3.705 ( -2.182 -1.856 7.683) 8.200 3.771 ( -3.514 2.336 -0.275) 4.228 3.815 ( -0.066 0.015 0.070) 0.097 3.930 ( 0.123 -1.462 -2.952) 3.296 3.987 ( 1.518 -0.024 -1.210) 1.941 4.044 ( -0.435 -1.142 1.065) 1.621 4.086 ( -0.567 -0.700 1.403) 1.667 4.124 ( -0.626 1.429 -2.262) 2.748 4.188 ( 1.591 0.574 1.983) 2.606 4.259 ( 1.975 1.300 -2.851) 3.704 4.381 ( 0.484 -2.494 3.227) 4.107 4.481 ( 0.737 -2.756 -4.359) 5.210 4.613 ( 0.529 2.004 5.070) 5.477 4.720 ( -1.381 1.493 0.707) 2.153 4.768 ( 2.720 -1.233 -1.698) 3.435 4.899 ( -0.506 1.714 -9.018) 9.193 5.235 ( 5.689 1.435 0.462) 5.885 5.272 ( 5.116 0.893 -0.136) 5.196 5.437 ( -6.794 -0.570 -0.580) 6.843 5.474 ( -7.408 -0.763 -1.842) 7.672 5.603 ( 3.787 -2.519 3.911) 5.998 5.704 ( 0.055 -1.606 -0.197) 1.619 5.848 ( -3.197 -0.249 0.992) 3.357 5.899 ( -1.064 -1.550 -2.495) 3.124 6.156 ( -0.925 -0.364 4.641) 4.747 6.183 ( -2.035 0.676 5.939) 6.314 6.210 ( 0.329 -0.477 -3.157) 3.209 6.311 ( 1.658 2.975 -6.960) 7.749 6.759 ( -0.853 -0.945 3.518) 3.742 6.863 ( -1.265 -2.608 -4.686) 5.510 7.119 ( 2.502 1.718 0.507) 3.077 7.191 ( -2.941 2.016 0.077) 3.566 7.397 ( 0.162 3.574 1.304) 3.808 7.449 ( 0.711 4.467 -3.246) 5.567 7.639 ( 5.958 -0.433 -0.014) 5.973 7.757 ( -4.566 0.131 -2.165) 5.055 8.022 ( 4.150 1.971 0.507) 4.622 8.141 ( -5.310 -0.515 -1.698) 5.599 8.251 ( 4.008 -2.686 4.285) 6.454 8.351 ( -1.828 -2.075 1.120) 2.983 8.467 ( 2.261 -0.236 2.117) 3.106 8.499 ( -1.376 -0.697 3.107) 3.468 8.553 ( -0.731 2.804 1.416) 3.226 8.619 ( 0.266 1.167 -4.791) 4.938 11.725 ( 0.566 -1.118 1.399) 1.878 11.778 ( -0.878 -0.991 -2.081) 2.467 11.849 ( -0.401 1.331 1.489) 2.037 11.860 ( 0.785 1.311 -0.689) 1.676 15.159 ( 0.538 -2.277 3.307) 4.051 15.247 ( -0.902 -3.081 -3.280) 4.589 15.404 ( -0.893 1.017 3.760) 3.996 15.455 ( 0.757 1.053 -2.178) 2.534 15.673 ( -0.395 0.197 4.980) 5.000 15.745 ( -0.184 1.677 0.514) 1.763 15.796 ( 0.917 1.435 -3.251) 3.670 15.837 ( 0.493 1.211 -4.309) 4.503 16.144 ( 1.363 -1.330 2.325) 3.006 16.197 ( 2.265 -0.402 -1.650) 2.831 16.309 ( -2.798 -0.760 3.187) 4.308 16.355 ( -3.359 0.178 -1.653) 3.748 ======================= Grid point 119 (61/72) ======================= q-point: (-0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -0.074 -0.271 1.407) 1.435 1.039 ( 0.036 -0.033 -1.130) 1.131 1.509 ( -3.278 -5.646 6.414) 9.152 1.598 ( -0.114 -0.361 0.313) 0.491 1.677 ( -3.098 -1.464 -5.476) 6.459 1.691 ( 2.733 7.046 -2.138) 7.854 1.804 ( 4.125 0.676 6.182) 7.462 1.962 ( -0.873 5.463 -8.287) 9.964 2.109 ( -0.301 0.070 4.999) 5.009 2.192 ( 1.823 5.330 -0.374) 5.646 2.198 ( -5.244 4.949 -1.801) 7.432 2.288 ( 6.213 -0.979 -0.819) 6.343 2.315 ( -2.827 -5.118 -1.171) 5.963 2.384 ( 0.828 -0.987 -3.128) 3.383 2.473 ( -3.758 1.068 4.254) 5.776 2.531 ( 4.446 0.555 -1.242) 4.650 2.627 ( -0.218 -0.064 3.093) 3.101 2.702 ( 0.278 0.899 -4.456) 4.554 3.019 ( -3.208 3.333 5.072) 6.865 3.065 ( 2.856 -0.764 -0.508) 3.000 3.297 ( 0.113 3.186 5.421) 6.289 3.385 ( -0.195 0.676 -2.649) 2.741 3.446 ( -3.637 -7.911 3.172) 9.267 3.501 ( 1.251 -2.842 -0.366) 3.127 3.732 ( -0.217 -2.372 4.674) 5.246 3.759 ( -0.776 -1.797 3.425) 3.945 3.855 ( 2.433 -1.939 2.024) 3.711 3.955 ( -2.070 -1.857 -3.274) 4.296 3.976 ( 1.724 1.893 1.298) 2.871 4.047 ( -3.330 -1.484 -2.695) 4.534 4.066 ( -2.328 1.365 2.335) 3.569 4.124 ( 2.772 -0.726 -3.701) 4.681 4.195 ( 1.012 0.355 1.243) 1.642 4.272 ( 1.898 -1.582 -4.496) 5.131 4.395 ( -2.654 0.159 2.561) 3.692 4.501 ( 1.600 1.147 -6.923) 7.197 4.589 ( 2.344 3.553 5.956) 7.320 4.665 ( -1.857 1.412 0.464) 2.378 4.797 ( 1.114 0.276 -2.271) 2.544 4.864 ( -0.151 -0.020 -6.869) 6.870 5.205 ( 0.287 4.243 0.950) 4.358 5.235 ( -0.193 3.923 -2.191) 4.497 5.457 ( -0.018 -3.260 2.172) 3.917 5.490 ( -0.078 -4.179 -1.142) 4.333 5.698 ( -1.579 -3.776 1.346) 4.309 5.721 ( 2.903 -0.456 -1.756) 3.423 5.867 ( -0.513 -3.610 3.901) 5.340 5.952 ( -0.629 -5.484 -3.446) 6.507 6.090 ( -1.166 4.441 3.595) 5.831 6.120 ( -0.532 3.691 2.697) 4.603 6.275 ( 1.546 -1.091 -2.803) 3.382 6.292 ( 0.020 -1.494 -3.630) 3.925 6.793 ( -0.209 -2.646 5.294) 5.922 6.896 ( -0.174 -2.363 -5.374) 5.873 7.096 ( 0.755 3.578 2.309) 4.325 7.126 ( -0.041 2.202 -0.931) 2.391 7.347 ( -2.136 0.956 1.122) 2.595 7.398 ( 2.118 1.632 -4.054) 4.856 7.691 ( -2.358 0.815 -0.362) 2.521 7.706 ( 2.561 -0.171 -2.098) 3.315 8.012 ( 1.900 2.350 3.713) 4.787 8.091 ( -2.785 1.566 -4.283) 5.344 8.327 ( -0.243 -2.571 5.561) 6.132 8.392 ( 0.855 -2.553 -0.431) 2.727 8.466 ( -3.494 1.373 3.071) 4.850 8.498 ( 2.990 -0.217 1.215) 3.234 8.526 ( 0.521 0.359 1.338) 1.480 8.592 ( -0.561 1.117 -3.688) 3.894 11.753 ( 0.364 -1.129 1.483) 1.899 11.782 ( -0.565 -0.278 -1.149) 1.310 11.823 ( -0.507 0.873 0.800) 1.288 11.845 ( 0.720 0.888 -1.174) 1.638 15.215 ( 1.106 -2.453 3.182) 4.168 15.260 ( -1.664 0.171 -0.987) 1.942 15.402 ( 0.188 -0.770 0.797) 1.124 15.435 ( 0.433 1.395 -2.069) 2.532 15.668 ( -1.009 0.313 5.425) 5.527 15.717 ( -0.642 0.890 3.300) 3.477 15.782 ( 0.860 0.568 -4.481) 4.598 15.821 ( 0.636 0.411 -5.506) 5.557 16.149 ( -0.523 0.799 2.666) 2.832 16.197 ( 0.705 1.570 -2.247) 2.831 16.342 ( -0.626 -1.922 1.650) 2.609 16.361 ( 0.307 -3.733 -0.435) 3.771 ======================= Grid point 120 (62/72) ======================= q-point: (-0.14 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -0.119 0.832 0.522) 0.990 1.030 ( 0.919 1.462 -0.973) 1.982 1.474 ( -2.322 10.788 6.407) 12.760 1.504 ( -4.260 7.296 -5.885) 10.296 1.553 ( 3.503 10.017 8.782) 13.775 1.730 ( 1.272 -4.393 -1.172) 4.721 1.809 ( 6.806 4.973 -2.702) 8.851 1.850 ( 2.173 0.632 -8.697) 8.987 2.086 ( -5.313 -0.606 -0.572) 5.378 2.114 ( -4.491 -0.228 -0.762) 4.561 2.208 ( 0.801 -6.890 0.450) 6.951 2.319 ( -7.076 -1.213 1.499) 7.334 2.383 ( 2.968 -2.212 2.693) 4.577 2.437 ( 6.516 -3.764 -4.520) 8.778 2.519 ( 0.888 -4.029 1.696) 4.461 2.557 ( 1.914 -0.420 -0.883) 2.149 2.676 ( 0.789 -2.294 4.568) 5.172 2.718 ( -0.915 -3.628 -3.067) 4.838 2.892 ( -4.418 4.464 8.399) 10.487 3.096 ( 4.321 2.108 -2.256) 5.310 3.207 ( 0.491 6.948 6.369) 9.438 3.311 ( -0.156 5.722 -6.350) 8.549 3.488 ( -4.537 0.359 3.995) 6.056 3.556 ( 1.228 -1.227 1.214) 2.119 3.764 ( -0.212 1.398 4.778) 4.982 3.794 ( -1.660 -3.732 0.792) 4.160 3.895 ( 3.607 0.994 2.952) 4.766 3.930 ( -1.963 0.710 -5.548) 5.928 3.985 ( 1.064 0.064 5.100) 5.210 4.027 ( -1.967 -1.064 -0.666) 2.333 4.066 ( 0.790 0.104 -2.612) 2.731 4.127 ( 1.964 2.354 -5.621) 6.403 4.217 ( -1.675 -2.411 3.158) 4.311 4.293 ( -0.590 1.428 0.792) 1.736 4.370 ( -1.863 -0.849 -0.923) 2.246 4.492 ( 2.532 -0.775 -8.458) 8.863 4.528 ( -0.257 3.758 4.972) 6.238 4.660 ( 2.100 -0.204 -2.915) 3.599 4.787 ( -1.981 -0.393 -0.180) 2.028 4.875 ( 1.825 -0.489 -3.644) 4.105 5.132 ( 0.460 3.685 1.554) 4.026 5.165 ( 0.005 2.968 -2.996) 4.217 5.522 ( 0.286 -2.630 2.899) 3.925 5.566 ( 0.164 -3.944 -1.844) 4.357 5.706 ( -3.997 -2.506 0.347) 4.731 5.763 ( 1.001 0.427 -0.806) 1.354 5.943 ( -0.897 -2.904 4.100) 5.103 6.027 ( 0.728 2.864 -2.101) 3.626 6.053 ( -0.687 -3.467 3.867) 5.239 6.093 ( 0.606 -5.476 -0.696) 5.554 6.250 ( -0.748 2.511 -0.357) 2.644 6.329 ( 1.375 -0.442 -4.246) 4.485 6.864 ( -0.081 -3.795 5.092) 6.352 6.921 ( -1.139 -1.882 -1.817) 2.853 7.033 ( -4.240 0.529 -2.808) 5.113 7.124 ( 6.979 1.735 1.020) 7.263 7.324 ( -2.757 -1.092 -1.664) 3.401 7.410 ( 3.338 0.122 -2.660) 4.270 7.623 ( -5.397 1.169 0.893) 5.594 7.754 ( 5.601 -0.023 -2.131) 5.992 7.982 ( -1.972 1.628 0.615) 2.631 8.034 ( 2.694 3.445 -0.794) 4.445 8.357 ( -3.649 -2.302 4.584) 6.295 8.388 ( -3.468 0.844 2.739) 4.499 8.480 ( 2.897 -1.661 2.151) 3.972 8.512 ( 1.229 2.217 -3.161) 4.052 8.525 ( 0.089 0.086 3.455) 3.457 8.580 ( -0.108 -1.603 -2.710) 3.150 11.750 ( -0.962 1.080 0.954) 1.733 11.787 ( 1.310 0.409 -0.600) 1.497 11.819 ( 0.163 -0.705 1.508) 1.673 11.843 ( -0.472 -0.867 -1.915) 2.154 15.217 ( -1.332 2.458 2.177) 3.544 15.269 ( 1.471 -1.073 -0.371) 1.858 15.403 ( 0.296 1.224 1.214) 1.749 15.432 ( -0.433 -1.711 -2.637) 3.173 15.660 ( -1.372 0.055 5.807) 5.967 15.714 ( -0.214 -0.317 4.695) 4.711 15.778 ( 0.730 -0.005 -4.965) 5.019 15.819 ( 0.950 -0.092 -6.327) 6.399 16.128 ( 0.460 1.670 1.425) 2.243 16.157 ( 0.512 2.891 -1.728) 3.407 16.384 ( -1.903 -3.942 4.072) 5.978 16.451 ( -0.221 -5.389 -1.980) 5.746 ======================= Grid point 124 (63/72) ======================= q-point: ( 0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -0.028 -0.000 0.517) 0.518 0.995 ( 0.282 0.000 -1.297) 1.327 1.417 ( 7.114 0.000 5.131) 8.771 1.461 ( 1.957 0.000 -0.450) 2.008 1.680 ( 4.111 0.000 -4.749) 6.281 1.731 ( 3.631 0.000 1.918) 4.107 1.890 ( -8.348 -0.000 2.397) 8.685 1.918 ( 0.502 0.000 -7.242) 7.259 1.992 ( -2.167 -0.000 18.773) 18.898 2.136 ( 9.247 0.000 -2.828) 9.670 2.241 ( 0.997 0.000 6.839) 6.911 2.323 ( 0.357 0.000 -3.597) 3.614 2.370 ( 0.867 0.000 1.590) 1.811 2.525 ( -6.065 -0.000 -1.924) 6.363 2.633 ( -5.281 -0.000 4.851) 7.171 2.782 ( -0.098 -0.000 -10.302) 10.302 2.842 ( -1.404 -0.000 1.995) 2.440 2.866 ( 0.434 0.000 -2.207) 2.249 2.873 ( 5.748 0.000 5.963) 8.282 3.033 ( -0.588 -0.000 -5.110) 5.143 3.058 ( 3.557 0.000 -2.699) 4.465 3.083 ( -7.920 -0.000 1.368) 8.037 3.263 ( 2.656 0.000 1.686) 3.146 3.353 ( 2.234 0.000 -6.012) 6.414 3.670 ( -2.683 -0.000 9.515) 9.886 3.826 ( -2.989 -0.000 -5.871) 6.588 3.860 ( -0.082 -0.000 4.947) 4.947 3.960 ( -0.023 -0.000 -0.296) 0.297 3.973 ( 2.040 0.000 -4.550) 4.986 3.996 ( 0.863 0.000 -7.432) 7.482 4.093 ( 2.796 0.000 4.071) 4.939 4.137 ( -1.114 -0.000 7.767) 7.847 4.224 ( 0.981 0.000 -0.966) 1.376 4.261 ( -0.795 -0.000 -0.838) 1.155 4.317 ( 0.492 0.000 0.839) 0.973 4.366 ( 1.201 0.000 -7.214) 7.313 4.653 ( -4.177 -0.000 11.203) 11.957 4.703 ( 5.206 0.000 -5.598) 7.644 4.749 ( 0.856 0.000 2.804) 2.931 4.943 ( 0.567 0.000 -10.335) 10.351 5.242 ( 8.936 0.000 0.404) 8.945 5.286 ( 6.502 0.000 0.928) 6.568 5.444 ( -6.779 -0.000 -2.037) 7.078 5.450 ( -11.216 -0.000 -0.631) 11.234 5.603 ( -4.169 -0.000 6.031) 7.331 5.652 ( 1.962 0.000 -3.509) 4.020 5.856 ( -2.419 -0.000 4.806) 5.380 5.943 ( 0.080 0.000 -4.520) 4.521 6.072 ( -0.402 -0.000 3.668) 3.690 6.074 ( -0.328 -0.000 0.737) 0.806 6.302 ( -3.378 -0.000 5.286) 6.273 6.420 ( 2.075 0.000 -8.979) 9.215 6.752 ( -0.969 -0.000 0.421) 1.057 6.789 ( -1.501 -0.000 -1.270) 1.966 7.138 ( -1.571 -0.000 0.884) 1.803 7.196 ( -0.438 -0.000 -5.064) 5.083 7.556 ( 5.084 0.000 -0.839) 5.153 7.567 ( 2.713 0.000 0.856) 2.845 7.639 ( -2.547 -0.000 4.057) 4.790 7.728 ( -0.663 -0.000 -5.331) 5.372 8.078 ( 5.713 0.000 -5.153) 7.694 8.092 ( -6.315 -0.000 4.767) 7.912 8.187 ( 3.989 0.000 5.036) 6.425 8.316 ( -3.224 -0.000 0.300) 3.237 8.466 ( -1.117 -0.000 5.958) 6.062 8.467 ( 2.202 0.000 1.424) 2.622 8.624 ( 0.001 0.000 -1.346) 1.346 8.649 ( 0.295 0.000 -4.703) 4.712 11.704 ( 0.727 0.000 1.306) 1.495 11.755 ( -0.711 -0.000 -1.897) 2.026 11.882 ( -0.881 -0.000 1.515) 1.753 11.883 ( 0.947 0.000 -0.485) 1.064 15.124 ( 0.906 0.000 0.935) 1.302 15.149 ( -0.682 -0.000 0.768) 1.027 15.434 ( -1.500 -0.000 1.963) 2.471 15.469 ( 0.170 0.000 -1.871) 1.879 15.676 ( -0.198 -0.000 5.233) 5.237 15.782 ( 0.896 0.000 -5.090) 5.168 15.850 ( 1.181 0.000 -1.309) 1.763 15.878 ( 0.272 0.000 -2.114) 2.131 16.093 ( 5.042 0.000 2.976) 5.855 16.172 ( 1.414 0.000 0.451) 1.484 16.307 ( -6.564 -0.000 4.604) 8.018 16.373 ( -4.872 -0.000 -3.609) 6.063 ======================= Grid point 125 (64/72) ======================= q-point: (-0.43 -0.57 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 0.676 -1.057 0.909) 1.549 1.004 ( -0.203 -0.938 -1.742) 1.989 1.447 ( 0.786 1.243 1.965) 2.454 1.469 ( -3.856 -1.775 2.322) 4.838 1.697 ( -11.357 1.222 1.385) 11.506 1.727 ( 11.798 -0.048 -1.693) 11.919 1.838 ( -1.005 -1.122 3.682) 3.978 1.929 ( 0.166 -0.932 -5.773) 5.850 2.061 ( -3.012 -4.760 13.785) 14.892 2.211 ( 0.957 -1.095 -1.460) 2.061 2.262 ( 4.226 0.250 -0.346) 4.248 2.315 ( 6.828 2.817 -5.511) 9.216 2.379 ( 3.006 0.236 3.033) 4.277 2.433 ( -5.536 3.529 -2.618) 7.068 2.577 ( -5.413 0.938 6.750) 8.703 2.722 ( -0.760 5.972 -2.744) 6.616 2.778 ( -1.986 3.673 -0.608) 4.220 2.829 ( 1.158 5.169 -3.416) 6.303 2.961 ( 5.855 -3.001 3.868) 7.632 3.012 ( -4.592 -1.572 -0.978) 4.952 3.102 ( -6.310 -6.891 -0.012) 9.343 3.149 ( 5.040 -6.543 -0.750) 8.293 3.307 ( 1.837 -2.172 1.011) 3.019 3.389 ( 0.211 -2.979 -6.196) 6.878 3.673 ( -1.210 -1.140 9.156) 9.306 3.787 ( -1.080 1.757 -1.897) 2.802 3.858 ( 0.535 2.206 0.674) 2.368 3.903 ( -2.005 1.505 -2.598) 3.611 3.986 ( 0.331 -1.221 -1.223) 1.760 4.021 ( -0.302 -1.611 -3.693) 4.041 4.090 ( -0.558 1.821 6.086) 6.377 4.137 ( 0.661 0.108 0.350) 0.756 4.221 ( 0.647 0.932 3.070) 3.273 4.301 ( 1.068 -1.008 -3.375) 3.681 4.327 ( -0.126 -1.812 -0.178) 1.825 4.412 ( 2.785 -4.058 -6.456) 8.118 4.626 ( -3.575 0.090 9.415) 10.071 4.739 ( 1.926 0.742 -2.415) 3.177 4.767 ( 2.046 -1.022 0.988) 2.491 4.919 ( 0.237 1.663 -10.845) 10.975 5.308 ( -1.080 1.268 1.430) 2.195 5.335 ( 7.035 0.033 0.645) 7.065 5.371 ( -1.039 -0.428 -1.131) 1.595 5.382 ( -6.936 -0.575 -1.816) 7.192 5.598 ( 0.119 -1.571 4.753) 5.007 5.686 ( 3.080 -1.008 -3.945) 5.106 5.834 ( -1.097 0.854 4.013) 4.247 5.908 ( 0.208 2.299 -3.190) 3.938 6.102 ( -1.024 -2.695 2.585) 3.872 6.123 ( 0.228 -4.210 1.491) 4.472 6.254 ( -2.584 2.737 4.973) 6.237 6.392 ( 2.328 3.696 -7.870) 9.001 6.751 ( 0.248 -0.137 2.118) 2.137 6.802 ( -0.549 -2.313 -2.960) 3.796 7.139 ( 0.916 -0.715 1.224) 1.688 7.188 ( -1.023 0.337 -3.870) 4.017 7.497 ( 0.037 5.984 2.274) 6.402 7.534 ( -1.583 4.405 -1.595) 4.945 7.668 ( 2.853 -1.989 1.692) 3.867 7.719 ( -1.994 0.144 -3.086) 3.677 8.058 ( -5.917 -0.993 2.161) 6.377 8.109 ( 5.823 1.290 -2.357) 6.413 8.247 ( 3.115 -1.699 3.972) 5.326 8.299 ( -2.357 -1.392 -0.488) 2.781 8.465 ( -2.123 -0.665 5.017) 5.488 8.491 ( 1.380 -0.529 2.378) 2.800 8.599 ( -0.201 2.304 -1.172) 2.592 8.639 ( 0.841 0.951 -4.714) 4.882 11.718 ( 0.893 -0.539 1.473) 1.805 11.752 ( -0.890 -0.641 -2.074) 2.346 11.866 ( -1.006 0.897 1.476) 1.999 11.886 ( 1.021 0.670 -0.584) 1.354 15.137 ( 0.477 -1.008 2.611) 2.839 15.179 ( -0.422 -2.995 -1.689) 3.464 15.417 ( -0.989 0.827 3.204) 3.453 15.469 ( 0.498 0.136 -2.081) 2.144 15.678 ( -0.514 0.167 5.098) 5.126 15.771 ( 0.203 1.167 -3.703) 3.888 15.835 ( 0.593 2.071 -1.118) 2.427 15.860 ( -0.061 1.282 -3.118) 3.372 16.146 ( 1.928 -0.395 3.036) 3.618 16.187 ( -0.375 -1.541 -1.363) 2.091 16.272 ( -2.696 -0.806 4.609) 5.400 16.344 ( 0.792 0.552 -2.884) 3.041 ======================= Grid point 126 (65/72) ======================= q-point: (-0.29 -0.57 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 0.609 -0.903 1.418) 1.788 1.019 ( -0.720 -1.327 -1.190) 1.923 1.390 ( -9.979 -2.326 6.281) 12.018 1.515 ( -0.788 -3.751 3.078) 4.916 1.615 ( -5.474 -1.626 -4.816) 7.471 1.840 ( 9.424 -0.605 0.245) 9.446 1.847 ( 1.826 2.806 4.865) 5.906 1.940 ( -2.125 -2.489 -6.541) 7.314 2.082 ( -8.157 -2.103 4.416) 9.511 2.162 ( -5.727 0.929 0.028) 5.802 2.261 ( -4.484 4.361 0.771) 6.302 2.325 ( 2.641 1.553 -4.799) 5.694 2.363 ( 8.839 2.935 -1.205) 9.392 2.428 ( 7.710 1.369 -3.776) 8.694 2.552 ( -0.902 8.820 3.147) 9.409 2.567 ( 1.052 -2.358 7.439) 7.875 2.706 ( 1.541 5.739 -3.715) 7.008 2.729 ( 0.529 3.575 -3.049) 4.728 2.992 ( -7.065 -1.316 0.005) 7.187 3.067 ( 3.548 -2.974 3.288) 5.678 3.185 ( -8.612 -8.540 2.164) 12.320 3.323 ( 2.785 -6.081 5.351) 8.566 3.375 ( 1.472 -3.002 -1.294) 3.585 3.432 ( -0.740 -3.085 -4.907) 5.843 3.707 ( 0.984 -1.289 6.902) 7.090 3.752 ( 1.007 0.718 2.245) 2.563 3.831 ( 0.648 -1.096 0.889) 1.553 3.903 ( -0.635 -1.408 -4.929) 5.165 3.999 ( -1.648 1.228 0.558) 2.130 4.034 ( -0.864 -2.131 -1.696) 2.858 4.059 ( -0.872 1.044 4.469) 4.671 4.135 ( 1.380 0.493 -1.587) 2.160 4.227 ( 2.057 0.029 0.916) 2.252 4.274 ( 1.080 2.068 -6.021) 6.457 4.370 ( -2.154 -1.642 2.410) 3.625 4.496 ( 1.162 -2.060 -6.034) 6.481 4.624 ( -1.307 -1.601 7.818) 8.087 4.702 ( -0.003 3.661 0.736) 3.734 4.812 ( 2.319 -0.873 -1.992) 3.179 4.864 ( -0.681 2.154 -9.780) 10.037 5.235 ( -6.108 1.001 0.404) 6.203 5.291 ( -3.520 2.410 -2.333) 4.862 5.419 ( 4.245 -1.726 0.997) 4.690 5.445 ( 5.794 -2.072 1.908) 6.443 5.631 ( -2.354 -1.581 0.267) 2.848 5.737 ( 4.871 -1.328 -3.129) 5.940 5.833 ( 1.018 -0.677 3.659) 3.858 5.891 ( 1.068 -0.881 -2.508) 2.865 6.119 ( -3.329 0.534 4.883) 5.933 6.179 ( -0.470 1.713 6.230) 6.478 6.221 ( 1.025 -3.742 -2.227) 4.474 6.326 ( 2.001 4.053 -7.318) 8.601 6.769 ( 0.664 -0.987 4.217) 4.381 6.846 ( 0.902 -2.670 -4.624) 5.415 7.136 ( -2.759 3.261 -0.902) 4.365 7.181 ( 3.985 -0.534 0.796) 4.098 7.384 ( -2.251 4.914 1.819) 5.703 7.448 ( -0.033 2.847 -2.374) 3.707 7.664 ( -4.840 1.147 -2.229) 5.450 7.737 ( 4.628 -0.933 -0.328) 4.733 8.018 ( -5.550 -0.168 0.672) 5.593 8.128 ( 4.888 1.990 0.048) 5.278 8.273 ( -3.019 -1.666 2.519) 4.270 8.354 ( 2.636 -3.152 0.278) 4.118 8.451 ( -3.560 0.266 3.288) 4.853 8.516 ( 0.951 -0.616 3.607) 3.781 8.554 ( 0.685 1.862 -1.020) 2.231 8.617 ( 0.888 1.778 -4.114) 4.569 11.741 ( 0.804 -0.919 1.641) 2.046 11.758 ( -0.701 -1.079 -1.956) 2.341 11.838 ( -1.044 1.243 1.346) 2.108 11.875 ( 0.901 1.314 -0.966) 1.863 15.178 ( 0.204 -2.554 3.241) 4.131 15.227 ( -0.023 -2.447 -2.969) 3.848 15.399 ( -0.769 0.608 3.496) 3.630 15.464 ( 0.941 0.896 -2.377) 2.709 15.673 ( -1.003 0.425 4.993) 5.110 15.737 ( -0.881 1.661 0.797) 2.042 15.803 ( 0.576 1.475 -3.015) 3.406 15.834 ( 0.402 1.097 -4.394) 4.546 16.148 ( -1.762 -0.375 2.554) 3.125 16.197 ( -1.807 -0.715 -1.932) 2.741 16.313 ( 2.524 -2.305 2.596) 4.292 16.348 ( 3.059 1.077 -1.008) 3.396 ======================= Grid point 127 (66/72) ======================= q-point: (-0.14 -0.57 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -0.032 0.255 1.293) 1.318 1.035 ( -0.214 -1.043 -1.226) 1.624 1.424 ( -6.532 -7.901 4.528) 11.207 1.569 ( -0.759 0.457 5.149) 5.225 1.612 ( -2.687 -3.166 -2.803) 5.010 1.781 ( 3.660 5.977 4.441) 8.297 1.899 ( 2.658 0.965 0.053) 2.829 1.952 ( 2.830 2.800 -11.486) 12.157 2.006 ( -5.157 0.845 0.725) 5.275 2.125 ( -5.157 -2.610 -2.955) 6.491 2.152 ( -4.351 5.344 -1.315) 7.015 2.215 ( -3.307 0.849 -0.453) 3.444 2.427 ( 5.406 3.112 3.621) 7.213 2.470 ( 7.516 0.441 -1.707) 7.720 2.476 ( 2.126 -1.970 1.511) 3.269 2.615 ( 1.146 4.409 -1.797) 4.897 2.648 ( 1.862 -2.001 1.913) 3.336 2.701 ( 1.757 0.536 -1.706) 2.507 2.917 ( -5.725 2.807 0.684) 6.413 3.138 ( 2.669 -1.443 1.656) 3.456 3.243 ( -8.064 -4.969 7.288) 11.951 3.378 ( 0.677 1.665 -2.396) 2.995 3.408 ( -0.217 -1.184 3.393) 3.600 3.512 ( -0.176 -4.753 0.530) 4.786 3.743 ( 0.513 -0.926 4.123) 4.256 3.777 ( -0.229 -0.687 5.183) 5.234 3.881 ( -0.195 -2.351 -5.858) 6.315 3.940 ( 3.375 -1.182 3.798) 5.217 3.955 ( -2.885 -1.081 -2.609) 4.037 4.027 ( -0.975 1.086 1.485) 2.082 4.080 ( 3.031 -0.762 1.864) 3.639 4.146 ( 0.629 -0.466 -3.313) 3.405 4.218 ( 1.395 2.050 -1.246) 2.775 4.299 ( 2.349 -2.663 -2.396) 4.284 4.340 ( -3.241 1.495 1.676) 3.943 4.485 ( -2.102 0.733 -4.891) 5.374 4.620 ( -0.406 4.405 -1.884) 4.808 4.668 ( 1.619 -0.996 6.180) 6.466 4.783 ( -0.855 2.192 -5.991) 6.436 4.865 ( 1.259 -1.421 -3.769) 4.220 5.176 ( -2.601 1.298 0.849) 3.029 5.223 ( -0.709 2.616 -1.842) 3.277 5.485 ( 1.611 -2.375 1.288) 3.145 5.523 ( 3.797 -1.251 -0.158) 4.001 5.619 ( -4.449 -1.369 -0.600) 4.693 5.791 ( 2.749 -0.008 -1.299) 3.040 5.881 ( 1.037 -3.025 2.597) 4.119 5.966 ( 2.696 -5.300 -1.332) 6.094 6.051 ( -3.125 2.460 4.760) 6.203 6.130 ( -0.007 4.449 2.184) 4.956 6.276 ( 0.166 0.854 -4.930) 5.006 6.306 ( 1.430 -2.492 -1.636) 3.306 6.816 ( 1.504 -2.747 5.161) 6.037 6.889 ( 0.311 -1.195 -3.831) 4.026 7.032 ( -3.578 3.733 -0.734) 5.222 7.213 ( 4.927 1.492 0.346) 5.160 7.302 ( -2.103 1.499 -0.822) 2.711 7.437 ( 2.084 0.154 -2.034) 2.916 7.594 ( -4.648 0.921 -0.921) 4.827 7.790 ( 3.929 -0.609 -1.179) 4.147 7.969 ( -4.880 0.256 -0.097) 4.888 8.127 ( 4.874 2.746 1.585) 5.814 8.280 ( -4.230 -2.239 1.795) 5.111 8.379 ( -2.726 1.161 1.930) 3.536 8.456 ( 1.342 -2.708 1.956) 3.600 8.527 ( -0.595 -0.116 2.332) 2.409 8.560 ( 2.144 -0.597 -0.413) 2.264 8.578 ( 0.372 2.735 -2.758) 3.902 11.757 ( -0.203 -0.030 0.553) 0.589 11.780 ( 0.489 -1.557 0.073) 1.634 11.813 ( -0.840 0.349 0.669) 1.130 11.853 ( 0.537 1.557 -1.353) 2.132 15.225 ( -0.986 -1.436 0.194) 1.753 15.253 ( 1.070 -0.922 2.405) 2.790 15.398 ( -0.669 -0.998 -0.209) 1.220 15.443 ( 0.893 2.016 -1.868) 2.890 15.660 ( -1.161 0.391 5.181) 5.324 15.714 ( -0.675 0.242 3.896) 3.962 15.784 ( 0.549 0.704 -4.064) 4.161 15.820 ( 0.781 0.290 -5.624) 5.686 16.146 ( -0.466 -0.198 2.100) 2.161 16.186 ( -1.171 0.234 -1.639) 2.028 16.350 ( 1.325 0.664 0.837) 1.703 16.379 ( 1.382 -2.517 0.215) 2.880 ======================= Grid point 132 (67/72) ======================= q-point: (-0.43 -0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 1.351 0.000 0.449) 1.423 0.993 ( -0.223 -0.000 -2.385) 2.395 1.416 ( -8.246 -0.000 5.146) 9.720 1.447 ( -2.755 -0.000 0.299) 2.771 1.639 ( -11.492 -0.000 2.834) 11.836 1.724 ( -3.109 -0.000 -0.553) 3.157 1.832 ( 5.450 0.000 1.028) 5.547 1.975 ( 7.257 0.000 -4.768) 8.683 2.013 ( -3.145 -0.000 9.910) 10.398 2.200 ( -0.642 -0.000 -4.889) 4.931 2.300 ( 3.264 0.000 0.103) 3.266 2.360 ( -4.263 -0.000 15.386) 15.966 2.366 ( -0.664 -0.000 -2.955) 3.028 2.450 ( 4.163 0.000 -6.047) 7.341 2.566 ( -0.613 -0.000 5.306) 5.341 2.750 ( -0.978 -0.000 -5.345) 5.433 2.812 ( -2.805 -0.000 3.675) 4.623 2.859 ( -0.808 -0.000 -1.945) 2.106 2.959 ( -3.342 -0.000 5.894) 6.775 3.004 ( -0.077 -0.000 -7.539) 7.539 3.006 ( 4.194 0.000 -0.945) 4.299 3.123 ( 3.521 0.000 -0.133) 3.523 3.314 ( 2.111 0.000 0.177) 2.118 3.340 ( -1.550 -0.000 -7.644) 7.799 3.667 ( -0.069 -0.000 10.299) 10.300 3.798 ( 1.121 0.000 -3.017) 3.219 3.867 ( -1.005 -0.000 5.656) 5.745 3.930 ( -2.997 -0.000 0.125) 3.000 3.948 ( -2.764 -0.000 -5.064) 5.770 3.994 ( -0.410 -0.000 -4.362) 4.381 4.121 ( -0.865 -0.000 0.380) 0.945 4.154 ( 2.236 0.000 8.567) 8.854 4.230 ( -0.379 -0.000 -1.564) 1.609 4.239 ( 0.304 0.000 -0.360) 0.471 4.329 ( -0.442 -0.000 -4.099) 4.123 4.408 ( 4.681 0.000 -6.797) 8.253 4.593 ( -5.223 -0.000 7.937) 9.501 4.766 ( 2.851 0.000 -3.987) 4.901 4.774 ( 0.785 0.000 4.611) 4.677 4.927 ( 0.785 0.000 -11.784) 11.810 5.244 ( -9.341 -0.000 -0.413) 9.350 5.312 ( -6.269 -0.000 -1.841) 6.533 5.417 ( 8.081 0.000 3.589) 8.842 5.418 ( 6.641 0.000 0.853) 6.696 5.586 ( 1.857 0.000 2.493) 3.109 5.713 ( 5.066 0.000 -4.909) 7.054 5.848 ( 0.429 0.000 5.349) 5.366 5.944 ( 1.422 0.000 -4.314) 4.542 6.067 ( -0.955 -0.000 2.545) 2.718 6.081 ( 0.799 0.000 1.374) 1.589 6.260 ( -2.739 -0.000 6.655) 7.197 6.442 ( 2.607 0.000 -8.262) 8.664 6.762 ( 1.559 0.000 1.368) 2.075 6.774 ( 0.428 0.000 -1.555) 1.613 7.135 ( 0.723 0.000 1.464) 1.633 7.187 ( 0.745 0.000 -4.525) 4.586 7.547 ( -4.349 -0.000 0.369) 4.364 7.567 ( -4.351 -0.000 -0.338) 4.364 7.630 ( -0.228 -0.000 4.981) 4.986 7.726 ( 2.222 0.000 -3.722) 4.335 8.002 ( -4.401 -0.000 2.369) 4.998 8.179 ( 6.534 0.000 -4.332) 7.840 8.256 ( -3.672 -0.000 -1.641) 4.022 8.265 ( 3.456 0.000 5.074) 6.140 8.439 ( -3.314 -0.000 4.967) 5.971 8.498 ( 0.922 0.000 2.714) 2.867 8.620 ( 0.090 0.000 -2.183) 2.185 8.650 ( 0.932 0.000 -4.114) 4.218 11.724 ( 0.983 0.000 1.457) 1.757 11.736 ( -0.806 -0.000 -2.021) 2.176 11.865 ( -1.235 -0.000 1.320) 1.808 11.900 ( 0.995 0.000 -0.433) 1.085 15.133 ( -1.055 -0.000 0.236) 1.081 15.145 ( 0.915 0.000 1.036) 1.382 15.422 ( -0.530 -0.000 2.971) 3.018 15.470 ( 0.467 0.000 -1.758) 1.819 15.682 ( -0.637 -0.000 5.059) 5.099 15.778 ( 0.112 0.000 -5.193) 5.194 15.861 ( -1.278 -0.000 -2.497) 2.805 15.864 ( 0.496 0.000 -0.676) 0.839 16.132 ( -4.663 -0.000 -1.146) 4.801 16.166 ( -0.936 -0.000 1.185) 1.510 16.274 ( 4.552 0.000 6.915) 8.279 16.377 ( 5.264 0.000 -2.758) 5.943 ======================= Grid point 133 (68/72) ======================= q-point: (-0.29 -0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -1.115 -0.674 -1.344) 1.872 1.001 ( 1.488 -0.771 0.573) 1.771 1.276 ( -15.553 2.609 9.512) 18.416 1.467 ( -2.281 -3.368 4.233) 5.871 1.516 ( -8.056 -0.338 -4.665) 9.315 1.739 ( -8.033 -5.659 -1.196) 9.898 1.909 ( 6.820 -1.247 1.057) 7.014 1.969 ( -6.223 0.790 5.244) 8.176 2.024 ( 7.851 1.505 -4.100) 8.984 2.151 ( -4.729 2.582 -4.989) 7.343 2.307 ( -1.572 3.710 3.928) 5.627 2.348 ( 4.721 -0.065 -3.863) 6.100 2.430 ( -2.246 -7.900 17.908) 19.701 2.503 ( 7.641 -0.465 -4.462) 8.860 2.548 ( 3.132 3.602 0.288) 4.782 2.699 ( -1.461 5.689 -0.418) 5.889 2.736 ( -2.266 3.198 0.686) 3.979 2.842 ( 0.730 1.660 -2.435) 3.036 2.910 ( -5.366 2.258 0.604) 5.853 3.009 ( -1.322 -2.190 -2.139) 3.335 3.063 ( 2.150 -3.073 -2.306) 4.403 3.228 ( 2.815 -6.829 4.348) 8.571 3.312 ( -2.175 -1.562 -4.167) 4.954 3.369 ( -0.341 -3.462 -4.531) 5.712 3.700 ( 0.817 -1.553 10.562) 10.707 3.798 ( 2.208 1.422 1.069) 2.836 3.855 ( -0.322 3.286 -0.272) 3.313 3.876 ( -0.058 -1.034 -1.235) 1.611 3.948 ( -3.797 -3.277 -1.909) 5.366 3.995 ( -1.386 -0.553 -0.836) 1.710 4.090 ( -0.082 1.910 0.372) 1.947 4.166 ( 0.927 1.935 2.407) 3.225 4.227 ( -0.018 -0.595 2.089) 2.172 4.294 ( -0.133 -4.696 -2.586) 5.363 4.320 ( 0.297 0.934 -5.835) 5.917 4.457 ( 2.214 -1.812 -4.487) 5.322 4.571 ( -3.905 -1.941 4.450) 6.231 4.763 ( 0.947 2.025 2.975) 3.721 4.800 ( 1.159 -1.436 -0.535) 1.922 4.897 ( 0.306 2.387 -10.789) 11.054 5.171 ( -7.052 -0.391 -0.510) 7.081 5.254 ( -5.293 0.049 -2.565) 5.882 5.478 ( 6.427 0.518 3.285) 7.236 5.491 ( 6.839 -0.450 4.598) 8.253 5.612 ( 1.847 0.454 -1.168) 2.232 5.759 ( 4.677 -0.688 -5.171) 7.006 5.858 ( 2.737 0.709 4.049) 4.938 5.920 ( 2.078 2.199 -2.320) 3.813 6.096 ( -0.085 -1.336 2.336) 2.693 6.129 ( 0.004 -4.350 2.451) 4.993 6.228 ( -1.700 1.830 5.390) 5.940 6.417 ( 2.531 3.825 -7.361) 8.673 6.774 ( 1.681 -0.009 1.597) 2.318 6.812 ( 2.418 -2.170 -1.670) 3.653 7.158 ( 0.234 0.352 -1.944) 1.990 7.190 ( 2.331 -0.898 0.645) 2.580 7.454 ( -5.027 5.009 1.757) 7.311 7.479 ( -3.974 2.302 -0.548) 4.625 7.644 ( -2.481 0.130 0.304) 2.503 7.750 ( 2.871 -1.010 -1.479) 3.384 7.963 ( -4.968 0.309 0.825) 5.046 8.214 ( 3.908 1.720 -1.612) 4.564 8.224 ( -2.092 -0.776 -0.337) 2.257 8.328 ( 3.080 -2.450 2.815) 4.839 8.419 ( -3.731 -0.595 3.658) 5.259 8.516 ( 0.810 -0.600 2.957) 3.124 8.592 ( -0.118 2.327 -2.166) 3.182 8.648 ( 1.177 0.844 -3.514) 3.801 11.733 ( -0.559 -0.647 -1.964) 2.142 11.738 ( 0.792 -0.509 1.478) 1.753 11.848 ( -1.145 0.794 1.412) 1.984 11.901 ( 0.779 0.760 -0.754) 1.324 15.139 ( -0.698 -1.620 1.171) 2.117 15.179 ( 0.681 -2.536 -0.740) 2.728 15.413 ( -0.482 0.937 3.520) 3.675 15.476 ( 0.887 -0.129 -1.872) 2.075 15.678 ( -0.864 0.371 4.818) 4.909 15.758 ( -0.780 1.403 -2.692) 3.134 15.829 ( -0.794 1.413 -2.328) 2.837 15.853 ( 0.020 1.135 -2.186) 2.463 16.103 ( -3.931 -1.378 -0.677) 4.220 16.156 ( -2.895 -1.042 0.378) 3.100 16.342 ( 7.255 0.352 5.840) 9.320 16.418 ( 6.747 1.357 -1.906) 7.142 ======================= Grid point 134 (69/72) ======================= q-point: (-0.14 -0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -1.547 -1.702 -0.150) 2.305 1.019 ( 0.073 -0.251 1.190) 1.219 1.189 ( -11.778 -7.709 9.874) 17.194 1.504 ( -2.877 -3.867 -1.049) 4.933 1.536 ( -1.385 -5.113 -0.150) 5.299 1.785 ( -8.712 -7.821 -2.294) 11.930 1.902 ( -2.575 3.608 6.571) 7.927 1.962 ( -0.397 -0.816 0.664) 1.125 2.044 ( -1.017 3.178 -8.591) 9.216 2.045 ( 5.134 2.887 -5.106) 7.796 2.222 ( -0.064 4.193 3.904) 5.729 2.341 ( 1.031 6.486 -3.524) 7.453 2.470 ( 2.530 2.814 -0.513) 3.819 2.528 ( 3.377 0.216 -0.945) 3.513 2.576 ( 1.466 4.184 4.139) 6.065 2.646 ( 4.912 -2.279 6.090) 8.150 2.679 ( -2.096 2.070 0.276) 2.958 2.767 ( -0.441 4.802 1.000) 4.925 2.861 ( -4.415 -2.853 0.247) 5.263 3.032 ( -5.314 -3.363 -0.502) 6.309 3.127 ( 0.126 -3.245 1.638) 3.638 3.341 ( -3.456 -4.903 -6.047) 8.517 3.375 ( 1.245 -4.970 3.761) 6.355 3.435 ( 1.581 -3.836 0.915) 4.249 3.743 ( -0.343 -1.296 7.901) 8.014 3.796 ( 2.147 2.384 4.328) 5.388 3.849 ( 2.096 -1.253 -3.473) 4.246 3.907 ( 2.348 -2.033 -1.342) 3.383 3.941 ( -3.522 -1.424 -2.060) 4.322 4.018 ( 0.222 -1.143 1.446) 1.856 4.074 ( 0.411 -0.938 0.466) 1.125 4.136 ( -1.088 0.415 -2.425) 2.690 4.261 ( 0.576 -1.426 -3.279) 3.622 4.287 ( 3.155 2.078 -2.223) 4.384 4.346 ( -0.231 -0.247 2.675) 2.696 4.458 ( -4.005 -0.132 -1.322) 4.219 4.605 ( -1.356 -2.580 -3.052) 4.220 4.726 ( 0.983 3.221 4.498) 5.619 4.825 ( -0.249 3.569 -8.239) 8.983 4.840 ( 0.481 -1.928 -1.163) 2.303 5.136 ( -4.480 -1.507 0.186) 4.730 5.216 ( -2.846 -0.235 -3.326) 4.383 5.511 ( 3.765 1.454 3.884) 5.602 5.563 ( 5.873 -0.335 2.740) 6.489 5.593 ( -0.632 1.510 -1.648) 2.322 5.798 ( 2.482 -1.057 -5.013) 5.693 5.886 ( 3.369 0.437 2.448) 4.188 5.931 ( 3.496 -1.198 -0.790) 3.778 6.087 ( -1.311 2.569 6.397) 7.017 6.181 ( -0.826 0.783 4.260) 4.409 6.226 ( -0.226 -3.743 -0.718) 3.818 6.347 ( 2.064 4.426 -7.042) 8.570 6.805 ( 2.687 -1.156 2.805) 4.053 6.871 ( 2.406 -1.531 -2.111) 3.548 7.088 ( -2.482 4.820 -0.519) 5.446 7.251 ( 2.978 -0.929 -0.834) 3.230 7.333 ( -3.541 3.708 1.075) 5.238 7.438 ( -0.218 -0.722 -1.152) 1.377 7.587 ( -2.445 2.315 -2.210) 4.028 7.801 ( 2.528 -1.338 0.224) 2.869 7.910 ( -6.382 -0.492 0.507) 6.421 8.189 ( -2.871 -0.234 -1.494) 3.245 8.244 ( 3.846 1.144 2.983) 5.000 8.381 ( -0.855 0.282 1.300) 1.581 8.416 ( 0.092 -2.548 2.938) 3.890 8.529 ( -0.038 0.632 3.597) 3.652 8.560 ( 0.107 -0.121 -2.414) 2.419 8.627 ( 0.874 2.133 -2.776) 3.608 11.743 ( -0.160 -1.036 -1.616) 1.926 11.760 ( 0.425 -1.094 1.523) 1.923 11.822 ( -0.885 1.211 1.359) 2.024 11.885 ( 0.476 1.439 -1.274) 1.980 15.177 ( -0.504 -2.710 1.156) 2.989 15.235 ( 0.890 -2.472 -1.122) 2.857 15.392 ( -0.812 0.921 3.112) 3.346 15.477 ( 1.030 0.940 -2.366) 2.746 15.665 ( -0.936 0.578 4.542) 4.674 15.722 ( -1.065 1.027 2.540) 2.939 15.800 ( 0.014 1.058 -3.455) 3.613 15.830 ( 0.332 0.852 -4.516) 4.608 16.109 ( -2.302 -2.283 0.419) 3.269 16.156 ( -2.144 -1.313 -0.198) 2.522 16.385 ( 4.099 1.251 3.760) 5.701 16.432 ( 5.865 3.285 -1.507) 6.889 ======================= Grid point 140 (70/72) ======================= q-point: (-0.29 -0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -3.437 -0.000 0.163) 3.441 1.012 ( 2.277 0.000 -0.343) 2.303 1.215 ( -14.799 -0.000 13.006) 19.702 1.371 ( -8.863 -0.000 6.034) 10.722 1.407 ( -10.605 -0.000 -5.472) 11.934 1.591 ( -10.298 -0.000 -8.304) 13.229 1.907 ( -8.443 -0.000 6.923) 10.919 1.949 ( 5.198 0.000 -1.634) 5.448 2.108 ( 7.639 0.000 -1.206) 7.734 2.181 ( 2.470 0.000 -1.613) 2.950 2.302 ( -2.184 -0.000 26.012) 26.103 2.359 ( 0.798 0.000 0.991) 1.272 2.434 ( 6.681 0.000 -0.297) 6.688 2.528 ( 4.088 0.000 -6.828) 7.958 2.610 ( 2.815 0.000 -0.144) 2.818 2.735 ( 1.402 0.000 -6.780) 6.924 2.763 ( -3.781 -0.000 6.050) 7.134 2.827 ( -1.689 -0.000 -3.508) 3.893 2.908 ( -2.737 -0.000 1.711) 3.227 2.994 ( 0.897 0.000 -8.689) 8.735 3.061 ( 0.802 0.000 0.886) 1.196 3.173 ( 0.633 0.000 4.578) 4.621 3.266 ( -4.037 -0.000 -8.286) 9.217 3.313 ( -2.086 -0.000 -5.009) 5.426 3.701 ( -0.392 -0.000 11.743) 11.750 3.839 ( 2.911 0.000 1.184) 3.142 3.849 ( -0.868 -0.000 4.660) 4.740 3.881 ( -2.393 -0.000 -5.696) 6.178 3.909 ( 0.650 0.000 3.081) 3.149 3.960 ( -1.805 -0.000 -2.757) 3.295 4.113 ( 0.506 0.000 -4.588) 4.616 4.196 ( -2.927 -0.000 -0.202) 2.934 4.228 ( 0.981 0.000 10.203) 10.251 4.234 ( 0.020 0.000 -4.114) 4.114 4.305 ( 1.361 0.000 -7.345) 7.469 4.476 ( 4.230 0.000 -6.737) 7.955 4.509 ( -5.303 -0.000 4.030) 6.661 4.781 ( -0.221 -0.000 -3.591) 3.597 4.803 ( 0.820 0.000 7.577) 7.622 4.913 ( 0.672 0.000 -10.371) 10.392 5.113 ( -4.725 -0.000 -1.734) 5.033 5.208 ( -4.030 -0.000 -2.331) 4.656 5.545 ( 6.302 0.000 3.638) 7.276 5.547 ( 4.787 0.000 8.070) 9.383 5.659 ( 4.406 0.000 -1.038) 4.527 5.777 ( 3.184 0.000 -6.666) 7.388 5.904 ( 4.400 0.000 3.073) 5.367 5.980 ( 3.829 0.000 -3.439) 5.147 6.056 ( -0.921 -0.000 3.526) 3.644 6.109 ( 2.012 0.000 0.379) 2.047 6.240 ( -1.508 -0.000 8.014) 8.154 6.469 ( 2.388 0.000 -7.354) 7.732 6.807 ( 3.820 0.000 -1.179) 3.998 6.808 ( 3.067 0.000 1.418) 3.379 7.163 ( 1.603 0.000 1.546) 2.227 7.198 ( 0.971 0.000 -1.691) 1.950 7.443 ( -8.218 -0.000 1.746) 8.402 7.456 ( -5.079 -0.000 -0.857) 5.151 7.631 ( -0.680 -0.000 4.246) 4.300 7.758 ( 1.930 0.000 -3.944) 4.391 7.940 ( -3.227 -0.000 0.600) 3.282 8.163 ( -6.236 -0.000 -3.060) 6.947 8.279 ( 4.975 0.000 -2.396) 5.522 8.340 ( 3.422 0.000 5.138) 6.173 8.379 ( -4.118 -0.000 3.997) 5.738 8.519 ( 0.808 0.000 -0.036) 0.809 8.624 ( 1.355 0.000 -0.841) 1.595 8.657 ( 0.778 0.000 -3.544) 3.628 11.721 ( -0.240 -0.000 -1.826) 1.841 11.740 ( 0.275 0.000 1.096) 1.130 11.849 ( -0.784 -0.000 1.658) 1.834 11.913 ( 0.535 0.000 -0.732) 0.907 15.116 ( -0.758 -0.000 0.064) 0.760 15.157 ( 0.080 0.000 0.568) 0.573 15.426 ( 0.053 0.000 3.133) 3.134 15.478 ( 0.854 0.000 -1.165) 1.445 15.680 ( -0.742 -0.000 4.838) 4.895 15.761 ( -0.544 -0.000 -4.838) 4.869 15.823 ( -2.359 -0.000 -1.782) 2.956 15.862 ( -0.509 -0.000 -0.991) 1.114 16.052 ( -3.223 -0.000 -1.556) 3.579 16.117 ( -3.142 -0.000 0.765) 3.234 16.450 ( 11.416 0.000 6.544) 13.159 16.497 ( 7.947 0.000 -1.333) 8.058 ======================= Grid point 141 (71/72) ======================= q-point: (-0.14 -0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -5.174 -2.795 3.133) 6.663 0.991 ( -10.154 2.784 11.531) 15.615 1.052 ( -2.428 0.216 3.759) 4.480 1.371 ( -6.748 -5.679 -3.538) 9.503 1.404 ( -5.080 -6.602 0.767) 8.365 1.533 ( -12.824 -6.489 -8.874) 16.891 1.855 ( -4.739 -0.488 6.823) 8.321 2.004 ( 2.188 -1.567 -1.750) 3.210 2.132 ( 4.705 7.430 1.564) 8.932 2.173 ( 7.165 1.189 -0.696) 7.296 2.305 ( -0.991 4.398 7.050) 8.368 2.394 ( 0.511 1.793 -0.261) 1.883 2.457 ( 2.861 -7.088 10.077) 12.648 2.577 ( 1.068 0.402 3.219) 3.416 2.602 ( -0.222 3.255 -0.359) 3.283 2.677 ( -0.555 4.964 -0.257) 5.001 2.738 ( 3.501 1.699 -1.738) 4.262 2.808 ( -3.302 2.261 -1.203) 4.179 2.876 ( 1.401 1.006 -1.168) 2.083 2.984 ( -0.206 0.055 -7.171) 7.174 3.066 ( -1.583 -2.009 -1.336) 2.886 3.199 ( -6.699 -2.973 -7.552) 10.523 3.278 ( -0.266 -6.214 6.460) 8.967 3.347 ( -0.465 -5.977 -5.116) 7.881 3.719 ( -1.458 -1.320 10.739) 10.918 3.851 ( 0.096 -0.973 3.753) 3.878 3.866 ( -1.593 -0.266 -6.221) 6.427 3.881 ( 3.311 2.181 1.727) 4.324 3.906 ( 2.615 -2.090 0.995) 3.492 3.975 ( -0.606 -1.927 0.490) 2.078 4.090 ( 0.356 1.387 -3.459) 3.744 4.135 ( -3.535 1.896 -3.590) 5.383 4.242 ( 0.196 -0.865 1.124) 1.432 4.284 ( -0.529 -3.760 -4.430) 5.834 4.347 ( 4.101 -1.418 1.080) 4.471 4.442 ( -2.436 2.151 3.075) 4.474 4.538 ( 0.523 -2.926 -5.617) 6.355 4.770 ( -1.538 0.598 -2.128) 2.693 4.816 ( 0.445 -0.279 5.821) 5.845 4.879 ( 0.473 2.888 -8.065) 8.579 5.078 ( -3.095 -0.348 -0.796) 3.215 5.182 ( -1.991 -0.448 -3.749) 4.268 5.582 ( 3.890 1.323 6.613) 7.785 5.605 ( 3.931 -0.434 5.525) 6.795 5.653 ( 2.831 3.501 -1.503) 4.746 5.795 ( 1.401 -0.271 -6.634) 6.786 5.937 ( 3.573 1.087 1.428) 3.999 5.972 ( 4.231 1.633 -1.464) 4.766 6.122 ( 2.235 -2.138 1.374) 3.384 6.136 ( 0.315 -2.175 3.967) 4.536 6.217 ( -0.954 2.028 5.395) 5.842 6.439 ( 1.546 4.022 -6.954) 8.181 6.831 ( 4.470 0.191 1.416) 4.693 6.873 ( 4.514 -1.494 -0.595) 4.792 7.143 ( -1.907 3.186 -0.551) 3.754 7.236 ( 0.730 -2.664 0.955) 2.923 7.349 ( -5.477 2.251 1.732) 6.169 7.416 ( -1.991 -0.316 -2.278) 3.042 7.616 ( -0.463 1.860 1.117) 2.219 7.787 ( 1.901 -1.886 -1.228) 2.946 7.873 ( -5.507 2.722 0.259) 6.149 8.120 ( -6.282 -1.795 -2.835) 7.122 8.310 ( 3.370 0.473 1.639) 3.777 8.367 ( -1.287 -1.304 1.541) 2.395 8.385 ( 1.481 -1.202 4.833) 5.196 8.530 ( 0.135 -0.843 -1.598) 1.812 8.593 ( 0.872 3.624 0.077) 3.729 8.661 ( 1.185 0.909 -2.898) 3.260 11.724 ( 0.158 -0.680 -1.658) 1.798 11.746 ( -0.396 -0.620 0.947) 1.199 11.839 ( -0.213 0.846 1.946) 2.132 11.908 ( 0.218 0.839 -1.138) 1.430 15.129 ( -0.417 -1.936 0.648) 2.084 15.185 ( 0.050 -2.865 -0.982) 3.029 15.416 ( -0.089 1.446 3.426) 3.720 15.490 ( 0.917 -0.175 -1.541) 1.802 15.675 ( -0.588 0.563 4.300) 4.376 15.735 ( -1.113 1.214 -0.346) 1.683 15.802 ( -1.413 -0.057 -3.055) 3.367 15.843 ( -0.558 0.979 -2.697) 2.923 16.047 ( -1.771 -1.955 -0.738) 2.739 16.106 ( -2.593 -1.476 0.338) 3.003 16.502 ( 7.829 4.561 4.868) 10.286 16.556 ( 8.671 2.772 -0.762) 9.135 ======================= Grid point 148 (72/72) ======================= q-point: (-0.14 -0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -10.110 -0.000 10.875) 14.849 0.983 ( -12.486 -0.000 18.886) 22.640 1.066 ( 1.985 0.000 -0.280) 2.005 1.166 ( -9.131 -0.000 5.168) 10.492 1.302 ( -2.565 -0.000 -11.802) 12.078 1.354 ( -10.577 -0.000 -15.120) 18.452 1.825 ( -3.994 -0.000 19.102) 19.515 2.011 ( 2.597 0.000 -2.489) 3.597 2.214 ( 2.691 0.000 6.349) 6.896 2.264 ( 4.452 0.000 1.471) 4.688 2.361 ( 2.600 0.000 12.825) 13.086 2.383 ( 2.168 0.000 0.279) 2.186 2.551 ( 6.248 0.000 -3.006) 6.934 2.560 ( 0.341 0.000 0.181) 0.386 2.622 ( -1.990 -0.000 -0.238) 2.004 2.717 ( -2.901 -0.000 8.002) 8.512 2.776 ( 4.756 0.000 -7.350) 8.755 2.795 ( 0.476 0.000 -8.173) 8.187 2.866 ( -2.086 -0.000 1.514) 2.578 2.982 ( 0.073 0.000 -9.638) 9.639 3.044 ( -2.785 -0.000 -0.801) 2.898 3.106 ( -6.988 -0.000 -4.268) 8.188 3.211 ( -1.866 -0.000 1.469) 2.375 3.248 ( -1.117 -0.000 -6.719) 6.811 3.705 ( -1.908 -0.000 11.297) 11.457 3.828 ( -1.169 -0.000 -1.326) 1.768 3.852 ( -0.600 -0.000 3.857) 3.903 3.906 ( 2.100 0.000 -1.348) 2.495 3.944 ( 1.983 0.000 -2.588) 3.261 3.956 ( 2.332 0.000 3.671) 4.349 4.104 ( -5.018 -0.000 -0.658) 5.061 4.113 ( 0.815 0.000 -7.048) 7.095 4.222 ( -2.917 -0.000 -0.647) 2.988 4.225 ( 0.555 0.000 -6.945) 6.967 4.375 ( 2.965 0.000 7.594) 8.152 4.465 ( 2.020 0.000 2.082) 2.901 4.518 ( 2.300 0.000 -6.671) 7.057 4.741 ( -3.039 -0.000 -3.724) 4.807 4.831 ( -0.233 -0.000 7.047) 7.051 4.902 ( 0.692 0.000 -7.278) 7.311 5.065 ( -0.241 -0.000 -1.435) 1.455 5.158 ( -1.365 -0.000 -2.512) 2.859 5.624 ( 1.234 0.000 8.078) 8.172 5.637 ( 2.085 0.000 6.537) 6.861 5.725 ( 3.697 0.000 -1.280) 3.913 5.798 ( 1.449 0.000 -7.624) 7.761 5.984 ( 2.824 0.000 -0.051) 2.825 6.049 ( 3.403 0.000 -4.436) 5.591 6.060 ( -0.095 -0.000 6.885) 6.886 6.160 ( 4.330 0.000 -2.682) 5.093 6.250 ( 0.469 0.000 8.987) 8.999 6.481 ( 0.535 0.000 -7.003) 7.024 6.885 ( 5.563 0.000 1.828) 5.856 6.908 ( 7.493 0.000 -0.407) 7.504 7.161 ( -4.009 -0.000 1.360) 4.233 7.180 ( -4.032 -0.000 1.584) 4.332 7.335 ( -2.369 -0.000 1.195) 2.654 7.384 ( -2.013 -0.000 -2.414) 3.143 7.644 ( 1.685 0.000 3.723) 4.087 7.781 ( 1.866 0.000 -2.309) 2.969 7.878 ( -3.846 -0.000 -1.188) 4.025 8.018 ( -8.582 -0.000 -2.892) 9.056 8.325 ( -2.324 -0.000 3.261) 4.004 8.336 ( 1.530 0.000 0.161) 1.538 8.405 ( 1.658 0.000 5.842) 6.073 8.519 ( 0.235 0.000 -4.403) 4.409 8.663 ( 0.971 0.000 -3.108) 3.256 8.667 ( 2.635 0.000 -1.092) 2.852 11.719 ( 0.518 0.000 -1.475) 1.563 11.734 ( -1.007 -0.000 0.551) 1.148 11.850 ( 0.340 0.000 2.317) 2.342 11.915 ( -0.097 -0.000 -1.155) 1.159 15.109 ( -0.093 -0.000 0.325) 0.338 15.149 ( -0.929 -0.000 -0.107) 0.935 15.441 ( 0.928 0.000 2.458) 2.628 15.490 ( 0.519 0.000 -0.731) 0.896 15.683 ( -0.226 -0.000 4.468) 4.473 15.741 ( -0.306 -0.000 -4.033) 4.045 15.771 ( -3.031 -0.000 0.340) 3.050 15.842 ( -1.079 -0.000 -2.687) 2.895 16.018 ( -0.327 -0.000 -0.534) 0.626 16.069 ( -2.374 -0.000 0.270) 2.389 16.634 ( 6.639 0.000 1.015) 6.716 16.677 ( 11.045 0.000 1.461) 11.141 =================== 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 3/20580 10.0 274.603 297.956 240.936 -0.000 -13.808 0.000 3/20580 20.0 44.338 48.308 39.725 -0.000 -3.455 0.000 3/20580 30.0 18.853 20.107 17.143 -0.000 -1.840 0.000 3/20580 40.0 11.078 11.668 10.189 -0.000 -1.190 0.000 3/20580 50.0 7.624 7.976 7.106 -0.000 -0.859 0.000 3/20580 60.0 5.755 5.994 5.432 -0.000 -0.666 0.000 3/20580 70.0 4.610 4.783 4.398 -0.000 -0.542 0.000 3/20580 80.0 3.846 3.978 3.700 -0.000 -0.457 0.000 3/20580 90.0 3.303 3.406 3.199 -0.000 -0.395 0.000 3/20580 100.0 2.899 2.981 2.822 -0.000 -0.348 0.000 3/20580 110.0 2.585 2.652 2.528 -0.000 -0.311 0.000 3/20580 120.0 2.336 2.391 2.292 -0.000 -0.281 0.000 3/20580 130.0 2.132 2.179 2.098 -0.000 -0.257 0.000 3/20580 140.0 1.962 2.002 1.936 -0.000 -0.237 0.000 3/20580 150.0 1.819 1.853 1.798 -0.000 -0.219 0.000 3/20580 160.0 1.696 1.726 1.680 -0.000 -0.205 0.000 3/20580 170.0 1.589 1.615 1.577 -0.000 -0.192 0.000 3/20580 180.0 1.495 1.519 1.486 -0.000 -0.181 0.000 3/20580 190.0 1.413 1.434 1.406 -0.000 -0.171 0.000 3/20580 200.0 1.339 1.358 1.334 -0.000 -0.162 0.000 3/20580 210.0 1.273 1.290 1.270 -0.000 -0.154 0.000 3/20580 220.0 1.213 1.229 1.212 -0.000 -0.147 0.000 3/20580 230.0 1.159 1.174 1.159 -0.000 -0.140 0.000 3/20580 240.0 1.110 1.123 1.110 -0.000 -0.134 0.000 3/20580 250.0 1.064 1.077 1.066 -0.000 -0.129 0.000 3/20580 260.0 1.023 1.034 1.025 -0.000 -0.124 0.000 3/20580 270.0 0.984 0.995 0.988 -0.000 -0.119 0.000 3/20580 280.0 0.949 0.959 0.953 -0.000 -0.115 0.000 3/20580 290.0 0.916 0.926 0.920 -0.000 -0.111 0.000 3/20580 300.0 0.885 0.894 0.890 -0.000 -0.107 0.000 3/20580 310.0 0.857 0.865 0.862 -0.000 -0.104 0.000 3/20580 320.0 0.830 0.838 0.835 -0.000 -0.101 0.000 3/20580 330.0 0.805 0.812 0.810 -0.000 -0.097 0.000 3/20580 340.0 0.781 0.788 0.787 -0.000 -0.095 0.000 3/20580 350.0 0.759 0.766 0.765 -0.000 -0.092 0.000 3/20580 360.0 0.738 0.744 0.744 -0.000 -0.089 0.000 3/20580 370.0 0.718 0.724 0.724 -0.000 -0.087 0.000 3/20580 380.0 0.699 0.705 0.706 -0.000 -0.085 0.000 3/20580 390.0 0.681 0.687 0.688 -0.000 -0.083 0.000 3/20580 400.0 0.664 0.670 0.671 -0.000 -0.081 0.000 3/20580 410.0 0.648 0.654 0.655 -0.000 -0.079 0.000 3/20580 420.0 0.633 0.638 0.640 -0.000 -0.077 0.000 3/20580 430.0 0.618 0.623 0.625 -0.000 -0.075 0.000 3/20580 440.0 0.604 0.609 0.611 -0.000 -0.073 0.000 3/20580 450.0 0.591 0.596 0.598 -0.000 -0.072 0.000 3/20580 460.0 0.578 0.583 0.585 -0.000 -0.070 0.000 3/20580 470.0 0.566 0.570 0.573 -0.000 -0.069 0.000 3/20580 480.0 0.554 0.559 0.562 -0.000 -0.067 0.000 3/20580 490.0 0.543 0.547 0.550 -0.000 -0.066 0.000 3/20580 500.0 0.532 0.536 0.540 -0.000 -0.065 0.000 3/20580 510.0 0.522 0.526 0.529 -0.000 -0.063 0.000 3/20580 520.0 0.512 0.516 0.519 -0.000 -0.062 0.000 3/20580 530.0 0.502 0.506 0.510 -0.000 -0.061 0.000 3/20580 540.0 0.493 0.497 0.501 -0.000 -0.060 0.000 3/20580 550.0 0.484 0.488 0.492 -0.000 -0.059 0.000 3/20580 560.0 0.475 0.479 0.483 -0.000 -0.058 0.000 3/20580 570.0 0.467 0.471 0.475 -0.000 -0.057 0.000 3/20580 580.0 0.459 0.463 0.467 -0.000 -0.056 0.000 3/20580 590.0 0.451 0.455 0.459 -0.000 -0.055 0.000 3/20580 600.0 0.444 0.447 0.452 -0.000 -0.054 0.000 3/20580 610.0 0.437 0.440 0.444 -0.000 -0.053 0.000 3/20580 620.0 0.430 0.433 0.437 -0.000 -0.052 0.000 3/20580 630.0 0.423 0.426 0.430 -0.000 -0.052 0.000 3/20580 640.0 0.417 0.420 0.424 -0.000 -0.051 0.000 3/20580 650.0 0.410 0.413 0.417 -0.000 -0.050 0.000 3/20580 660.0 0.404 0.407 0.411 -0.000 -0.049 0.000 3/20580 670.0 0.398 0.401 0.405 -0.000 -0.049 0.000 3/20580 680.0 0.392 0.395 0.399 -0.000 -0.048 0.000 3/20580 690.0 0.387 0.389 0.394 -0.000 -0.047 0.000 3/20580 700.0 0.381 0.384 0.388 -0.000 -0.046 0.000 3/20580 710.0 0.376 0.379 0.383 -0.000 -0.046 0.000 3/20580 720.0 0.371 0.373 0.378 -0.000 -0.045 0.000 3/20580 730.0 0.366 0.368 0.373 -0.000 -0.045 0.000 3/20580 740.0 0.361 0.363 0.368 -0.000 -0.044 0.000 3/20580 750.0 0.356 0.359 0.363 -0.000 -0.043 0.000 3/20580 760.0 0.351 0.354 0.358 -0.000 -0.043 0.000 3/20580 770.0 0.347 0.349 0.354 -0.000 -0.042 0.000 3/20580 780.0 0.342 0.345 0.349 -0.000 -0.042 0.000 3/20580 790.0 0.338 0.341 0.345 -0.000 -0.041 0.000 3/20580 800.0 0.334 0.336 0.341 -0.000 -0.041 0.000 3/20580 810.0 0.330 0.332 0.336 -0.000 -0.040 0.000 3/20580 820.0 0.326 0.328 0.332 -0.000 -0.040 0.000 3/20580 830.0 0.322 0.324 0.329 -0.000 -0.039 0.000 3/20580 840.0 0.318 0.320 0.325 -0.000 -0.039 0.000 3/20580 850.0 0.314 0.317 0.321 -0.000 -0.038 0.000 3/20580 860.0 0.311 0.313 0.317 -0.000 -0.038 0.000 3/20580 870.0 0.307 0.309 0.314 -0.000 -0.038 0.000 3/20580 880.0 0.304 0.306 0.310 -0.000 -0.037 0.000 3/20580 890.0 0.300 0.303 0.307 -0.000 -0.037 0.000 3/20580 900.0 0.297 0.299 0.303 -0.000 -0.036 0.000 3/20580 910.0 0.294 0.296 0.300 -0.000 -0.036 0.000 3/20580 920.0 0.291 0.293 0.297 -0.000 -0.036 0.000 3/20580 930.0 0.287 0.290 0.294 -0.000 -0.035 0.000 3/20580 940.0 0.284 0.287 0.291 -0.000 -0.035 0.000 3/20580 950.0 0.281 0.284 0.288 -0.000 -0.034 0.000 3/20580 960.0 0.279 0.281 0.285 -0.000 -0.034 0.000 3/20580 970.0 0.276 0.278 0.282 -0.000 -0.034 0.000 3/20580 980.0 0.273 0.275 0.279 -0.000 -0.033 0.000 3/20580 990.0 0.270 0.272 0.276 -0.000 -0.033 0.000 3/20580 1000.0 0.268 0.270 0.274 -0.000 -0.033 0.000 3/20580 Thermal conductivity related properties were written into "kappa-m775.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:24:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|