----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:10:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [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 8.133852915434879 -3.507414199999999 0.000000000000000 b 8.133852915434879 3.507414199999999 0.000000000000000 c -5.656180873581309 0.000000000000000 7.747350221358877 Atomic positions (fractional): *1 Li 0.70700279656581 0.29299720343419 0.25000000000000 6.941 2 Li 0.29299720343419 0.70700279656581 0.75000000000000 6.941 *3 O 0.60481661513689 0.17036411484906 0.45764216163125 15.999 *4 O 0.43439700629960 0.43726611580751 0.79767492563182 15.999 5 O 0.56273388419249 0.56560299370040 0.70232507436818 15.999 6 O 0.56560299370040 0.56273388419249 0.20232507436818 15.999 7 O 0.43726611580751 0.43439700629960 0.29767492563182 15.999 *8 O 0.66854914426973 0.82115735386274 0.84191506421262 15.999 9 O 0.17884264613726 0.33145085573027 0.65808493578738 15.999 10 O 0.33145085573027 0.17884264613726 0.15808493578738 15.999 11 O 0.82115735386274 0.66854914426973 0.34191506421262 15.999 *12 O 0.47061568110918 0.21781705711450 0.92288746750949 15.999 *13 O 0.98837566366876 0.15129903524891 0.41473288584043 15.999 14 O 0.82963588515094 0.39518338486311 0.04235783836875 15.999 15 O 0.39518338486311 0.82963588515094 0.54235783836875 15.999 16 O 0.17036411484906 0.60481661513689 0.95764216163125 15.999 17 O 0.01162433633124 0.84870096475109 0.58526711415957 15.999 18 O 0.15129903524891 0.98837566366876 0.91473288584043 15.999 19 O 0.84870096475109 0.01162433633124 0.08526711415957 15.999 20 O 0.52938431889082 0.78218294288550 0.07711253249051 15.999 *21 O 0.98747782889765 0.75778837376074 0.27009582325432 15.999 22 O 0.24221162623926 0.01252217110235 0.22990417674568 15.999 23 O 0.01252217110235 0.24221162623926 0.72990417674568 15.999 24 O 0.75778837376074 0.98747782889765 0.77009582325432 15.999 25 O 0.21781705711450 0.47061568110918 0.42288746750949 15.999 26 O 0.78218294288550 0.52938431889082 0.57711253249051 15.999 *27 P 0.31201644207397 0.41460098259818 0.84137921762150 30.974 *28 P 0.70635848485354 0.00237799425930 0.90347688061124 30.974 29 P 0.99762200574070 0.29364151514646 0.59652311938876 30.974 30 P 0.29364151514646 0.99762200574070 0.09652311938876 30.974 31 P 0.00237799425930 0.70635848485354 0.40347688061124 30.974 32 P 0.68798355792603 0.58539901740182 0.15862078237850 30.974 33 P 0.58539901740182 0.68798355792603 0.65862078237850 30.974 34 P 0.41460098259818 0.31201644207397 0.34137921762150 30.974 *35 Tb 0.20480014348669 0.79519985651331 0.25000000000000 158.925 36 Tb 0.79519985651331 0.20480014348669 0.75000000000000 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 16.267705830869758 0.000000000000000 0.000000000000000 b 0.000000000000000 7.014828399999999 0.000000000000000 c -5.656180873581309 0.000000000000000 7.747350221358877 Atomic positions (fractional): *1 Li 0.00000000000000 0.29299720343419 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.70700279656581 0.75000000000000 6.941 > 2 3 Li 0.50000000000000 0.79299720343419 0.25000000000000 6.941 > 1 4 Li 0.50000000000000 0.20700279656581 0.75000000000000 6.941 > 2 *5 O 0.88759036499297 0.28277374985609 0.45764216163125 15.999 > 3 *6 O 0.93583156105355 0.50143455475395 0.79767492563182 15.999 > 4 7 O 0.06416843894645 0.50143455475395 0.70232507436818 15.999 > 5 8 O 0.06416843894645 0.49856544524605 0.20232507436818 15.999 > 6 9 O 0.93583156105355 0.49856544524605 0.29767492563182 15.999 > 7 *10 O 0.24485324906624 0.57630410479650 0.84191506421262 15.999 > 8 11 O 0.25514675093376 0.07630410479650 0.65808493578738 15.999 > 9 12 O 0.75514675093377 0.42369589520349 0.15808493578738 15.999 > 10 13 O 0.74485324906623 0.92369589520350 0.34191506421262 15.999 > 11 *14 O 0.34421636911184 0.87360068800266 0.92288746750949 15.999 > 12 *15 O 0.06983734945884 0.08146168579007 0.41473288584043 15.999 > 13 16 O 0.61240963500703 0.78277374985609 0.04235783836875 15.999 > 14 17 O 0.11240963500703 0.71722625014391 0.54235783836875 15.999 > 15 18 O 0.38759036499297 0.21722625014391 0.95764216163125 15.999 > 16 19 O 0.93016265054116 0.91853831420993 0.58526711415957 15.999 > 17 20 O 0.06983734945884 0.91853831420993 0.91473288584043 15.999 > 18 21 O 0.93016265054116 0.08146168579007 0.08526711415957 15.999 > 19 22 O 0.65578363088816 0.12639931199734 0.07711253249051 15.999 > 20 *23 O 0.87263310132919 0.88515527243155 0.27009582325432 15.999 > 21 24 O 0.62736689867081 0.38515527243155 0.22990417674568 15.999 > 22 25 O 0.12736689867081 0.11484472756845 0.72990417674568 15.999 > 23 26 O 0.37263310132919 0.61484472756845 0.77009582325432 15.999 > 24 27 O 0.84421636911184 0.62639931199734 0.42288746750949 15.999 > 25 28 O 0.15578363088816 0.37360068800266 0.57711253249051 15.999 > 26 29 O 0.38759036499297 0.78277374985609 0.45764216163125 15.999 > 3 30 O 0.43583156105355 0.00143455475395 0.79767492563182 15.999 > 4 31 O 0.56416843894645 0.00143455475395 0.70232507436818 15.999 > 5 32 O 0.56416843894645 0.99856544524605 0.20232507436818 15.999 > 6 33 O 0.43583156105355 0.99856544524605 0.29767492563182 15.999 > 7 34 O 0.74485324906623 0.07630410479650 0.84191506421262 15.999 > 8 35 O 0.75514675093377 0.57630410479650 0.65808493578738 15.999 > 9 36 O 0.25514675093376 0.92369589520350 0.15808493578738 15.999 > 10 37 O 0.24485324906624 0.42369589520349 0.34191506421262 15.999 > 11 38 O 0.84421636911184 0.37360068800266 0.92288746750949 15.999 > 12 39 O 0.56983734945884 0.58146168579007 0.41473288584043 15.999 > 13 40 O 0.11240963500703 0.28277374985609 0.04235783836875 15.999 > 14 41 O 0.61240963500703 0.21722625014391 0.54235783836875 15.999 > 15 42 O 0.88759036499297 0.71722625014391 0.95764216163125 15.999 > 16 43 O 0.43016265054116 0.41853831420992 0.58526711415957 15.999 > 17 44 O 0.56983734945884 0.41853831420992 0.91473288584043 15.999 > 18 45 O 0.43016265054116 0.58146168579007 0.08526711415957 15.999 > 19 46 O 0.15578363088816 0.62639931199734 0.07711253249051 15.999 > 20 47 O 0.37263310132919 0.38515527243155 0.27009582325432 15.999 > 21 48 O 0.12736689867081 0.88515527243155 0.22990417674568 15.999 > 22 49 O 0.62736689867081 0.61484472756845 0.72990417674568 15.999 > 23 50 O 0.87263310132919 0.11484472756845 0.77009582325432 15.999 > 24 51 O 0.34421636911184 0.12639931199734 0.42288746750949 15.999 > 25 52 O 0.65578363088816 0.87360068800266 0.57711253249051 15.999 > 26 *53 P 0.36330871233607 0.05129227026211 0.84137921762150 30.974 > 27 *54 P 0.35436823955642 0.64800975470288 0.90347688061124 30.974 > 28 55 P 0.14563176044358 0.14800975470288 0.59652311938876 30.974 > 29 56 P 0.64563176044358 0.35199024529712 0.09652311938876 30.974 > 30 57 P 0.85436823955642 0.85199024529712 0.40347688061124 30.974 > 31 58 P 0.63669128766393 0.94870772973789 0.15862078237850 30.974 > 32 59 P 0.13669128766392 0.55129227026211 0.65862078237850 30.974 > 33 60 P 0.86330871233607 0.44870772973789 0.34137921762150 30.974 > 34 61 P 0.86330871233607 0.55129227026211 0.84137921762150 30.974 > 27 62 P 0.85436823955642 0.14800975470288 0.90347688061124 30.974 > 28 63 P 0.64563176044358 0.64800975470288 0.59652311938876 30.974 > 29 64 P 0.14563176044358 0.85199024529712 0.09652311938876 30.974 > 30 65 P 0.35436823955642 0.35199024529712 0.40347688061124 30.974 > 31 66 P 0.13669128766392 0.44870772973789 0.15862078237850 30.974 > 32 67 P 0.63669128766393 0.05129227026211 0.65862078237850 30.974 > 33 68 P 0.36330871233607 0.94870772973789 0.34137921762150 30.974 > 34 *69 Tb 0.00000000000000 0.79519985651331 0.25000000000000 158.925 > 35 70 Tb 0.00000000000000 0.20480014348669 0.75000000000000 158.925 > 36 71 Tb 0.50000000000000 0.29519985651331 0.25000000000000 158.925 > 35 72 Tb 0.50000000000000 0.70480014348669 0.75000000000000 158.925 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.267705830869758 0.000000000000000 0.000000000000000 b 0.000000000000000 14.029656799999998 0.000000000000000 c -5.656180873581309 0.000000000000000 7.747350221358877 Atomic positions (fractional): *1 Li 0.00000000000000 0.14649860171710 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.64649860171710 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.35350139828290 0.75000000000000 6.941 > 2 4 Li 0.00000000000000 0.85350139828290 0.75000000000000 6.941 > 2 5 Li 0.50000000000000 0.39649860171710 0.25000000000000 6.941 > 1 6 Li 0.50000000000000 0.89649860171710 0.25000000000000 6.941 > 1 7 Li 0.50000000000000 0.10350139828290 0.75000000000000 6.941 > 2 8 Li 0.50000000000000 0.60350139828290 0.75000000000000 6.941 > 2 *9 O 0.88759036499297 0.14138687492804 0.45764216163125 15.999 > 3 10 O 0.88759036499297 0.64138687492804 0.45764216163125 15.999 > 3 *11 O 0.93583156105355 0.25071727737698 0.79767492563182 15.999 > 4 12 O 0.93583156105355 0.75071727737698 0.79767492563182 15.999 > 4 13 O 0.06416843894645 0.25071727737698 0.70232507436818 15.999 > 5 14 O 0.06416843894645 0.75071727737698 0.70232507436818 15.999 > 5 15 O 0.06416843894645 0.24928272262302 0.20232507436818 15.999 > 6 16 O 0.06416843894645 0.74928272262302 0.20232507436818 15.999 > 6 17 O 0.93583156105355 0.24928272262302 0.29767492563182 15.999 > 7 18 O 0.93583156105355 0.74928272262302 0.29767492563182 15.999 > 7 *19 O 0.24485324906624 0.28815205239825 0.84191506421262 15.999 > 8 20 O 0.24485324906624 0.78815205239825 0.84191506421262 15.999 > 8 21 O 0.25514675093376 0.03815205239825 0.65808493578738 15.999 > 9 22 O 0.25514675093376 0.53815205239825 0.65808493578738 15.999 > 9 23 O 0.75514675093377 0.21184794760175 0.15808493578738 15.999 > 10 24 O 0.75514675093377 0.71184794760175 0.15808493578738 15.999 > 10 25 O 0.74485324906623 0.46184794760175 0.34191506421262 15.999 > 11 26 O 0.74485324906623 0.96184794760175 0.34191506421262 15.999 > 11 *27 O 0.34421636911184 0.43680034400133 0.92288746750949 15.999 > 12 28 O 0.34421636911184 0.93680034400133 0.92288746750949 15.999 > 12 *29 O 0.06983734945884 0.04073084289504 0.41473288584043 15.999 > 13 30 O 0.06983734945884 0.54073084289504 0.41473288584043 15.999 > 13 31 O 0.61240963500703 0.39138687492804 0.04235783836875 15.999 > 14 32 O 0.61240963500703 0.89138687492804 0.04235783836875 15.999 > 14 33 O 0.11240963500703 0.35861312507196 0.54235783836875 15.999 > 15 34 O 0.11240963500703 0.85861312507196 0.54235783836875 15.999 > 15 35 O 0.38759036499297 0.10861312507196 0.95764216163125 15.999 > 16 36 O 0.38759036499297 0.60861312507196 0.95764216163125 15.999 > 16 37 O 0.93016265054116 0.45926915710496 0.58526711415957 15.999 > 17 38 O 0.93016265054116 0.95926915710496 0.58526711415957 15.999 > 17 39 O 0.06983734945884 0.45926915710496 0.91473288584043 15.999 > 18 40 O 0.06983734945884 0.95926915710496 0.91473288584043 15.999 > 18 41 O 0.93016265054116 0.04073084289504 0.08526711415957 15.999 > 19 42 O 0.93016265054116 0.54073084289504 0.08526711415957 15.999 > 19 43 O 0.65578363088816 0.06319965599867 0.07711253249051 15.999 > 20 44 O 0.65578363088816 0.56319965599867 0.07711253249051 15.999 > 20 *45 O 0.87263310132919 0.44257763621577 0.27009582325432 15.999 > 21 46 O 0.87263310132919 0.94257763621577 0.27009582325432 15.999 > 21 47 O 0.62736689867081 0.19257763621577 0.22990417674568 15.999 > 22 48 O 0.62736689867081 0.69257763621577 0.22990417674568 15.999 > 22 49 O 0.12736689867081 0.05742236378423 0.72990417674568 15.999 > 23 50 O 0.12736689867081 0.55742236378423 0.72990417674568 15.999 > 23 51 O 0.37263310132919 0.30742236378423 0.77009582325432 15.999 > 24 52 O 0.37263310132919 0.80742236378423 0.77009582325432 15.999 > 24 53 O 0.84421636911184 0.31319965599867 0.42288746750949 15.999 > 25 54 O 0.84421636911184 0.81319965599867 0.42288746750949 15.999 > 25 55 O 0.15578363088816 0.18680034400133 0.57711253249051 15.999 > 26 56 O 0.15578363088816 0.68680034400133 0.57711253249051 15.999 > 26 57 O 0.38759036499297 0.39138687492804 0.45764216163125 15.999 > 3 58 O 0.38759036499297 0.89138687492804 0.45764216163125 15.999 > 3 59 O 0.43583156105355 0.00071727737698 0.79767492563182 15.999 > 4 60 O 0.43583156105355 0.50071727737698 0.79767492563182 15.999 > 4 61 O 0.56416843894645 0.00071727737698 0.70232507436818 15.999 > 5 62 O 0.56416843894645 0.50071727737698 0.70232507436818 15.999 > 5 63 O 0.56416843894645 0.49928272262302 0.20232507436818 15.999 > 6 64 O 0.56416843894645 0.99928272262302 0.20232507436818 15.999 > 6 65 O 0.43583156105355 0.49928272262302 0.29767492563182 15.999 > 7 66 O 0.43583156105355 0.99928272262302 0.29767492563182 15.999 > 7 67 O 0.74485324906623 0.03815205239825 0.84191506421262 15.999 > 8 68 O 0.74485324906623 0.53815205239825 0.84191506421262 15.999 > 8 69 O 0.75514675093377 0.28815205239825 0.65808493578738 15.999 > 9 70 O 0.75514675093377 0.78815205239825 0.65808493578738 15.999 > 9 71 O 0.25514675093376 0.46184794760175 0.15808493578738 15.999 > 10 72 O 0.25514675093376 0.96184794760175 0.15808493578738 15.999 > 10 73 O 0.24485324906624 0.21184794760175 0.34191506421262 15.999 > 11 74 O 0.24485324906624 0.71184794760175 0.34191506421262 15.999 > 11 75 O 0.84421636911184 0.18680034400133 0.92288746750949 15.999 > 12 76 O 0.84421636911184 0.68680034400133 0.92288746750949 15.999 > 12 77 O 0.56983734945884 0.29073084289504 0.41473288584043 15.999 > 13 78 O 0.56983734945884 0.79073084289504 0.41473288584043 15.999 > 13 79 O 0.11240963500703 0.14138687492804 0.04235783836875 15.999 > 14 80 O 0.11240963500703 0.64138687492804 0.04235783836875 15.999 > 14 81 O 0.61240963500703 0.10861312507196 0.54235783836875 15.999 > 15 82 O 0.61240963500703 0.60861312507196 0.54235783836875 15.999 > 15 83 O 0.88759036499297 0.35861312507196 0.95764216163125 15.999 > 16 84 O 0.88759036499297 0.85861312507196 0.95764216163125 15.999 > 16 85 O 0.43016265054116 0.20926915710496 0.58526711415957 15.999 > 17 86 O 0.43016265054116 0.70926915710496 0.58526711415957 15.999 > 17 87 O 0.56983734945884 0.20926915710496 0.91473288584043 15.999 > 18 88 O 0.56983734945884 0.70926915710496 0.91473288584043 15.999 > 18 89 O 0.43016265054116 0.29073084289504 0.08526711415957 15.999 > 19 90 O 0.43016265054116 0.79073084289504 0.08526711415957 15.999 > 19 91 O 0.15578363088816 0.31319965599867 0.07711253249051 15.999 > 20 92 O 0.15578363088816 0.81319965599867 0.07711253249051 15.999 > 20 93 O 0.37263310132919 0.19257763621577 0.27009582325432 15.999 > 21 94 O 0.37263310132919 0.69257763621577 0.27009582325432 15.999 > 21 95 O 0.12736689867081 0.44257763621577 0.22990417674568 15.999 > 22 96 O 0.12736689867081 0.94257763621577 0.22990417674568 15.999 > 22 97 O 0.62736689867081 0.30742236378423 0.72990417674568 15.999 > 23 98 O 0.62736689867081 0.80742236378423 0.72990417674568 15.999 > 23 99 O 0.87263310132919 0.05742236378423 0.77009582325432 15.999 > 24 100 O 0.87263310132919 0.55742236378423 0.77009582325432 15.999 > 24 101 O 0.34421636911184 0.06319965599867 0.42288746750949 15.999 > 25 102 O 0.34421636911184 0.56319965599867 0.42288746750949 15.999 > 25 103 O 0.65578363088816 0.43680034400133 0.57711253249051 15.999 > 26 104 O 0.65578363088816 0.93680034400133 0.57711253249051 15.999 > 26 *105 P 0.36330871233607 0.02564613513105 0.84137921762150 30.974 > 27 106 P 0.36330871233607 0.52564613513105 0.84137921762150 30.974 > 27 *107 P 0.35436823955642 0.32400487735144 0.90347688061124 30.974 > 28 108 P 0.35436823955642 0.82400487735144 0.90347688061124 30.974 > 28 109 P 0.14563176044358 0.07400487735144 0.59652311938876 30.974 > 29 110 P 0.14563176044358 0.57400487735144 0.59652311938876 30.974 > 29 111 P 0.64563176044358 0.17599512264856 0.09652311938876 30.974 > 30 112 P 0.64563176044358 0.67599512264856 0.09652311938876 30.974 > 30 113 P 0.85436823955642 0.42599512264856 0.40347688061124 30.974 > 31 114 P 0.85436823955642 0.92599512264856 0.40347688061124 30.974 > 31 115 P 0.63669128766393 0.47435386486895 0.15862078237850 30.974 > 32 116 P 0.63669128766393 0.97435386486895 0.15862078237850 30.974 > 32 117 P 0.13669128766392 0.27564613513105 0.65862078237850 30.974 > 33 118 P 0.13669128766392 0.77564613513105 0.65862078237850 30.974 > 33 119 P 0.86330871233607 0.22435386486895 0.34137921762150 30.974 > 34 120 P 0.86330871233607 0.72435386486895 0.34137921762150 30.974 > 34 121 P 0.86330871233607 0.27564613513105 0.84137921762150 30.974 > 27 122 P 0.86330871233607 0.77564613513105 0.84137921762150 30.974 > 27 123 P 0.85436823955642 0.07400487735144 0.90347688061124 30.974 > 28 124 P 0.85436823955642 0.57400487735144 0.90347688061124 30.974 > 28 125 P 0.64563176044358 0.32400487735144 0.59652311938876 30.974 > 29 126 P 0.64563176044358 0.82400487735144 0.59652311938876 30.974 > 29 127 P 0.14563176044358 0.42599512264856 0.09652311938876 30.974 > 30 128 P 0.14563176044358 0.92599512264856 0.09652311938876 30.974 > 30 129 P 0.35436823955642 0.17599512264856 0.40347688061124 30.974 > 31 130 P 0.35436823955642 0.67599512264856 0.40347688061124 30.974 > 31 131 P 0.13669128766392 0.22435386486895 0.15862078237850 30.974 > 32 132 P 0.13669128766392 0.72435386486895 0.15862078237850 30.974 > 32 133 P 0.63669128766393 0.02564613513105 0.65862078237850 30.974 > 33 134 P 0.63669128766393 0.52564613513105 0.65862078237850 30.974 > 33 135 P 0.36330871233607 0.47435386486895 0.34137921762150 30.974 > 34 136 P 0.36330871233607 0.97435386486895 0.34137921762150 30.974 > 34 *137 Tb 0.00000000000000 0.39759992825666 0.25000000000000 158.925 > 35 138 Tb 0.00000000000000 0.89759992825666 0.25000000000000 158.925 > 35 139 Tb 0.00000000000000 0.10240007174335 0.75000000000000 158.925 > 36 140 Tb 0.00000000000000 0.60240007174334 0.75000000000000 158.925 > 36 141 Tb 0.50000000000000 0.14759992825665 0.25000000000000 158.925 > 35 142 Tb 0.50000000000000 0.64759992825666 0.25000000000000 158.925 > 35 143 Tb 0.50000000000000 0.35240007174334 0.75000000000000 158.925 > 36 144 Tb 0.50000000000000 0.85240007174334 0.75000000000000 158.925 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7682924 0.0000000 0.0373275 0.0000000 2.7695285 0.0000000 0.0373277 0.0000000 2.7624120 -------------------------- Born effective charges -------------------------- 1 Li 1.0106344 -0.0000000 -0.0803048 -0.0000000 1.0965611 -0.0000000 -0.0551722 -0.0000000 1.2127625 2 Li 1.0106344 -0.0000000 -0.0803048 -0.0000000 1.0965611 -0.0000000 -0.0551722 -0.0000000 1.2127625 3 O -1.0402197 -0.0818377 -0.1485480 -0.1532344 -1.6594277 0.6341955 0.0088952 0.6906486 -2.0549953 4 O -2.1186310 0.4149229 0.2015547 0.2882488 -1.4180707 -0.0524837 0.2121583 -0.1343188 -1.1169717 5 O -2.1186310 -0.4149229 0.2015547 -0.2882488 -1.4180707 0.0524837 0.2121583 0.1343188 -1.1169717 6 O -2.1186310 0.4149229 0.2015547 0.2882488 -1.4180707 -0.0524837 0.2121583 -0.1343188 -1.1169717 7 O -2.1186310 -0.4149229 0.2015547 -0.2882488 -1.4180707 0.0524837 0.2121583 0.1343188 -1.1169717 8 O -2.2987278 -0.4352944 -1.1362123 -0.6103579 -1.0911822 -0.4639185 -1.1387323 -0.2442593 -1.9295987 9 O -2.2987278 0.4352944 -1.1362123 0.6103579 -1.0911822 0.4639185 -1.1387323 0.2442593 -1.9295987 10 O -2.2987278 -0.4352944 -1.1362123 -0.6103579 -1.0911822 -0.4639185 -1.1387323 -0.2442593 -1.9295987 11 O -2.2987278 0.4352944 -1.1362123 0.6103579 -1.0911822 0.4639185 -1.1387323 0.2442593 -1.9295987 12 O -1.0727084 -0.2234660 0.0715206 -0.3193239 -2.9845493 0.3596995 0.0800137 0.2002256 -1.0468005 13 O -0.9924404 -0.0325343 -0.0995748 -0.0481959 -1.7011443 -0.6224922 -0.1796845 -0.5027995 -2.1527075 14 O -1.0402197 0.0818377 -0.1485480 0.1532344 -1.6594277 -0.6341955 0.0088952 -0.6906486 -2.0549953 15 O -1.0402197 -0.0818377 -0.1485480 -0.1532344 -1.6594277 0.6341955 0.0088952 0.6906486 -2.0549953 16 O -1.0402197 0.0818377 -0.1485480 0.1532344 -1.6594277 -0.6341955 0.0088952 -0.6906486 -2.0549953 17 O -0.9924404 -0.0325343 -0.0995748 -0.0481959 -1.7011443 -0.6224922 -0.1796845 -0.5027995 -2.1527075 18 O -0.9924404 0.0325343 -0.0995748 0.0481959 -1.7011443 0.6224922 -0.1796845 0.5027995 -2.1527075 19 O -0.9924404 0.0325343 -0.0995748 0.0481959 -1.7011443 0.6224922 -0.1796845 0.5027995 -2.1527075 20 O -1.0727084 -0.2234660 0.0715206 -0.3193239 -2.9845493 0.3596995 0.0800137 0.2002256 -1.0468005 21 O -2.2845106 0.1496026 0.5493495 0.1397399 -1.1099745 -0.0087956 0.3891922 0.0039937 -1.2538974 22 O -2.2845106 -0.1496026 0.5493495 -0.1397399 -1.1099745 0.0087956 0.3891922 -0.0039937 -1.2538974 23 O -2.2845106 0.1496026 0.5493495 0.1397399 -1.1099745 -0.0087956 0.3891922 0.0039937 -1.2538974 24 O -2.2845106 -0.1496026 0.5493495 -0.1397399 -1.1099745 0.0087956 0.3891922 -0.0039937 -1.2538974 25 O -1.0727084 0.2234660 0.0715206 0.3193239 -2.9845493 -0.3596995 0.0800137 -0.2002256 -1.0468005 26 O -1.0727084 0.2234660 0.0715206 0.3193239 -2.9845493 -0.3596995 0.0800137 -0.2002256 -1.0468005 27 P 3.5758007 -0.1938736 0.8427275 0.0178177 3.6645144 -0.4272159 0.1821463 0.3675093 3.4306484 28 P 3.6311913 0.2801654 -0.0810392 0.2067433 3.8069616 -0.2780874 0.7332942 0.0045202 3.3989123 29 P 3.6311913 -0.2801654 -0.0810392 -0.2067433 3.8069616 0.2780874 0.7332942 -0.0045202 3.3989123 30 P 3.6311913 0.2801654 -0.0810392 0.2067433 3.8069616 -0.2780874 0.7332942 0.0045202 3.3989123 31 P 3.6311913 -0.2801654 -0.0810392 -0.2067433 3.8069616 0.2780874 0.7332942 -0.0045202 3.3989123 32 P 3.5758007 -0.1938736 0.8427275 0.0178177 3.6645144 -0.4272159 0.1821463 0.3675093 3.4306484 33 P 3.5758007 0.1938736 0.8427275 -0.0178177 3.6645144 0.4272159 0.1821463 -0.3675093 3.4306484 34 P 3.5758007 0.1938736 0.8427275 -0.0178177 3.6645144 0.4272159 0.1821463 -0.3675093 3.4306484 35 Tb 4.1898576 -0.0000000 -0.3192511 -0.0000000 3.8891843 -0.0000000 -0.5193940 -0.0000000 4.2380582 36 Tb 4.1898576 -0.0000000 -0.3192511 -0.0000000 3.8891843 -0.0000000 -0.5193940 -0.0000000 4.2380582 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6002 Number of blocks in projector: 6002 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: 1312 Use submatrix version of eigh solver. (1) Block: 500 / 1312 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1312 (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: 1312 / 1312 (1) 303 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 270 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 270 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 201 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 204 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 201 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (6002, 5921), data: False |-- (710, 700), data: False |-- (710, 9), data: (710, 19) @ (19, 9) |-- (210, 201), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 6), data: (710, 16) @ (16, 6) |-- (210, 204), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 9), data: (710, 19) @ (19, 9) |-- (210, 201), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1280, 1264), data: False |-- (1280, 26), data: (1280, 42) @ (42, 26) |-- (280, 270), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 234), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1280, 1264), data: False |-- (1280, 26), data: (1280, 42) @ (42, 26) |-- (280, 270), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 234), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1312, 1293), data: False |-- (1312, 24), data: (1312, 43) @ (43, 24) |-- (312, 303), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1120 - Time: 1.960 Solver_block: 200 / 1120 - Time: 1.809 Solver_block: 300 / 1120 - Time: 1.822 Solver_block: 400 / 1120 - Time: 1.801 Solver_block: 500 / 1120 - Time: 1.812 Solver_block: 600 / 1120 - Time: 1.808 Solver_block: 700 / 1120 - Time: 1.818 Solver_block: 800 / 1120 - Time: 1.821 Solver_block: 900 / 1120 - Time: 1.820 Solver_block: 1000 / 1120 - Time: 1.822 Solver_block: 1100 / 1120 - Time: 1.821 Solver_block: 1120 / 1120 - Time: 0.510 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 21.190 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6002 Number of blocks in projector: 6002 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: 1312 Use submatrix version of eigh solver. (1) Block: 500 / 1312 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1312 (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: 1312 / 1312 (1) 303 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 270 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 270 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 201 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 204 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 201 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (6002, 5921), data: False |-- (710, 700), data: False |-- (710, 9), data: (710, 19) @ (19, 9) |-- (210, 201), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 6), data: (710, 16) @ (16, 6) |-- (210, 204), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 9), data: (710, 19) @ (19, 9) |-- (210, 201), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1280, 1264), data: False |-- (1280, 26), data: (1280, 42) @ (42, 26) |-- (280, 270), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 234), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1280, 1264), data: False |-- (1280, 26), data: (1280, 42) @ (42, 26) |-- (280, 270), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 234), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1312, 1293), data: False |-- (1312, 24), data: (1312, 43) @ (43, 24) |-- (312, 303), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:11:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:11:46]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.133852915434879 -3.507414199999999 0.000000000000000 b 8.133852915434879 3.507414199999999 0.000000000000000 c -5.656180873581309 0.000000000000000 7.747350221358877 Atomic positions (fractional): 1 Li 0.70700279656581 0.29299720343419 0.25000000000000 6.941 2 Li 0.29299720343419 0.70700279656581 0.75000000000000 6.941 3 O 0.60481661513689 0.17036411484906 0.45764216163125 15.999 4 O 0.43439700629960 0.43726611580751 0.79767492563182 15.999 5 O 0.56273388419249 0.56560299370040 0.70232507436818 15.999 6 O 0.56560299370040 0.56273388419249 0.20232507436818 15.999 7 O 0.43726611580751 0.43439700629960 0.29767492563182 15.999 8 O 0.66854914426973 0.82115735386274 0.84191506421262 15.999 9 O 0.17884264613726 0.33145085573027 0.65808493578738 15.999 10 O 0.33145085573027 0.17884264613726 0.15808493578738 15.999 11 O 0.82115735386274 0.66854914426973 0.34191506421262 15.999 12 O 0.47061568110918 0.21781705711450 0.92288746750949 15.999 13 O 0.98837566366876 0.15129903524891 0.41473288584043 15.999 14 O 0.82963588515094 0.39518338486311 0.04235783836875 15.999 15 O 0.39518338486311 0.82963588515094 0.54235783836875 15.999 16 O 0.17036411484906 0.60481661513689 0.95764216163125 15.999 17 O 0.01162433633124 0.84870096475109 0.58526711415957 15.999 18 O 0.15129903524891 0.98837566366876 0.91473288584043 15.999 19 O 0.84870096475109 0.01162433633124 0.08526711415957 15.999 20 O 0.52938431889082 0.78218294288550 0.07711253249051 15.999 21 O 0.98747782889765 0.75778837376074 0.27009582325432 15.999 22 O 0.24221162623926 0.01252217110235 0.22990417674568 15.999 23 O 0.01252217110235 0.24221162623926 0.72990417674568 15.999 24 O 0.75778837376074 0.98747782889765 0.77009582325432 15.999 25 O 0.21781705711450 0.47061568110918 0.42288746750949 15.999 26 O 0.78218294288550 0.52938431889082 0.57711253249051 15.999 27 P 0.31201644207397 0.41460098259818 0.84137921762150 30.974 28 P 0.70635848485354 0.00237799425930 0.90347688061124 30.974 29 P 0.99762200574070 0.29364151514646 0.59652311938876 30.974 30 P 0.29364151514646 0.99762200574070 0.09652311938876 30.974 31 P 0.00237799425930 0.70635848485354 0.40347688061124 30.974 32 P 0.68798355792603 0.58539901740182 0.15862078237850 30.974 33 P 0.58539901740182 0.68798355792603 0.65862078237850 30.974 34 P 0.41460098259818 0.31201644207397 0.34137921762150 30.974 35 Tb 0.20480014348669 0.79519985651331 0.25000000000000 158.925 36 Tb 0.79519985651331 0.20480014348669 0.75000000000000 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.267705830869758 0.000000000000000 0.000000000000000 b 0.000000000000000 14.029656799999998 0.000000000000000 c -5.656180873581309 0.000000000000000 7.747350221358877 Atomic positions (fractional): 1 Li 0.00000000000000 0.14649860171710 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.64649860171710 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.35350139828290 0.75000000000000 6.941 > 3 4 Li 0.00000000000000 0.85350139828290 0.75000000000000 6.941 > 3 5 Li 0.50000000000000 0.39649860171710 0.25000000000000 6.941 > 1 6 Li 0.50000000000000 0.89649860171710 0.25000000000000 6.941 > 1 7 Li 0.50000000000000 0.10350139828290 0.75000000000000 6.941 > 3 8 Li 0.50000000000000 0.60350139828290 0.75000000000000 6.941 > 3 9 O 0.88759036499297 0.14138687492804 0.45764216163125 15.999 > 9 10 O 0.88759036499297 0.64138687492804 0.45764216163125 15.999 > 9 11 O 0.93583156105355 0.25071727737698 0.79767492563182 15.999 > 11 12 O 0.93583156105355 0.75071727737698 0.79767492563182 15.999 > 11 13 O 0.06416843894645 0.25071727737698 0.70232507436818 15.999 > 13 14 O 0.06416843894645 0.75071727737698 0.70232507436818 15.999 > 13 15 O 0.06416843894645 0.24928272262302 0.20232507436818 15.999 > 15 16 O 0.06416843894645 0.74928272262302 0.20232507436818 15.999 > 15 17 O 0.93583156105355 0.24928272262302 0.29767492563182 15.999 > 17 18 O 0.93583156105355 0.74928272262302 0.29767492563182 15.999 > 17 19 O 0.24485324906624 0.28815205239825 0.84191506421262 15.999 > 19 20 O 0.24485324906624 0.78815205239825 0.84191506421262 15.999 > 19 21 O 0.25514675093376 0.03815205239825 0.65808493578738 15.999 > 21 22 O 0.25514675093376 0.53815205239825 0.65808493578738 15.999 > 21 23 O 0.75514675093377 0.21184794760175 0.15808493578738 15.999 > 23 24 O 0.75514675093377 0.71184794760175 0.15808493578738 15.999 > 23 25 O 0.74485324906623 0.46184794760175 0.34191506421262 15.999 > 25 26 O 0.74485324906623 0.96184794760175 0.34191506421262 15.999 > 25 27 O 0.34421636911184 0.43680034400133 0.92288746750949 15.999 > 27 28 O 0.34421636911184 0.93680034400133 0.92288746750949 15.999 > 27 29 O 0.06983734945884 0.04073084289504 0.41473288584043 15.999 > 29 30 O 0.06983734945884 0.54073084289504 0.41473288584043 15.999 > 29 31 O 0.61240963500703 0.39138687492804 0.04235783836875 15.999 > 31 32 O 0.61240963500703 0.89138687492804 0.04235783836875 15.999 > 31 33 O 0.11240963500703 0.35861312507196 0.54235783836875 15.999 > 33 34 O 0.11240963500703 0.85861312507196 0.54235783836875 15.999 > 33 35 O 0.38759036499297 0.10861312507196 0.95764216163125 15.999 > 35 36 O 0.38759036499297 0.60861312507196 0.95764216163125 15.999 > 35 37 O 0.93016265054116 0.45926915710496 0.58526711415957 15.999 > 37 38 O 0.93016265054116 0.95926915710496 0.58526711415957 15.999 > 37 39 O 0.06983734945884 0.45926915710496 0.91473288584043 15.999 > 39 40 O 0.06983734945884 0.95926915710496 0.91473288584043 15.999 > 39 41 O 0.93016265054116 0.04073084289504 0.08526711415957 15.999 > 41 42 O 0.93016265054116 0.54073084289504 0.08526711415957 15.999 > 41 43 O 0.65578363088816 0.06319965599867 0.07711253249051 15.999 > 43 44 O 0.65578363088816 0.56319965599867 0.07711253249051 15.999 > 43 45 O 0.87263310132919 0.44257763621577 0.27009582325432 15.999 > 45 46 O 0.87263310132919 0.94257763621577 0.27009582325432 15.999 > 45 47 O 0.62736689867081 0.19257763621577 0.22990417674568 15.999 > 47 48 O 0.62736689867081 0.69257763621577 0.22990417674568 15.999 > 47 49 O 0.12736689867081 0.05742236378423 0.72990417674568 15.999 > 49 50 O 0.12736689867081 0.55742236378423 0.72990417674568 15.999 > 49 51 O 0.37263310132919 0.30742236378423 0.77009582325432 15.999 > 51 52 O 0.37263310132919 0.80742236378423 0.77009582325432 15.999 > 51 53 O 0.84421636911184 0.31319965599867 0.42288746750949 15.999 > 53 54 O 0.84421636911184 0.81319965599867 0.42288746750949 15.999 > 53 55 O 0.15578363088816 0.18680034400133 0.57711253249051 15.999 > 55 56 O 0.15578363088816 0.68680034400133 0.57711253249051 15.999 > 55 57 O 0.38759036499297 0.39138687492804 0.45764216163125 15.999 > 9 58 O 0.38759036499297 0.89138687492804 0.45764216163125 15.999 > 9 59 O 0.43583156105355 0.00071727737698 0.79767492563182 15.999 > 11 60 O 0.43583156105355 0.50071727737698 0.79767492563182 15.999 > 11 61 O 0.56416843894645 0.00071727737698 0.70232507436818 15.999 > 13 62 O 0.56416843894645 0.50071727737698 0.70232507436818 15.999 > 13 63 O 0.56416843894645 0.49928272262302 0.20232507436818 15.999 > 15 64 O 0.56416843894645 0.99928272262302 0.20232507436818 15.999 > 15 65 O 0.43583156105355 0.49928272262302 0.29767492563182 15.999 > 17 66 O 0.43583156105355 0.99928272262302 0.29767492563182 15.999 > 17 67 O 0.74485324906623 0.03815205239825 0.84191506421262 15.999 > 19 68 O 0.74485324906623 0.53815205239825 0.84191506421262 15.999 > 19 69 O 0.75514675093377 0.28815205239825 0.65808493578738 15.999 > 21 70 O 0.75514675093377 0.78815205239825 0.65808493578738 15.999 > 21 71 O 0.25514675093376 0.46184794760175 0.15808493578738 15.999 > 23 72 O 0.25514675093376 0.96184794760175 0.15808493578738 15.999 > 23 73 O 0.24485324906624 0.21184794760175 0.34191506421262 15.999 > 25 74 O 0.24485324906624 0.71184794760175 0.34191506421262 15.999 > 25 75 O 0.84421636911184 0.18680034400133 0.92288746750949 15.999 > 27 76 O 0.84421636911184 0.68680034400133 0.92288746750949 15.999 > 27 77 O 0.56983734945884 0.29073084289504 0.41473288584043 15.999 > 29 78 O 0.56983734945884 0.79073084289504 0.41473288584043 15.999 > 29 79 O 0.11240963500703 0.14138687492804 0.04235783836875 15.999 > 31 80 O 0.11240963500703 0.64138687492804 0.04235783836875 15.999 > 31 81 O 0.61240963500703 0.10861312507196 0.54235783836875 15.999 > 33 82 O 0.61240963500703 0.60861312507196 0.54235783836875 15.999 > 33 83 O 0.88759036499297 0.35861312507196 0.95764216163125 15.999 > 35 84 O 0.88759036499297 0.85861312507196 0.95764216163125 15.999 > 35 85 O 0.43016265054116 0.20926915710496 0.58526711415957 15.999 > 37 86 O 0.43016265054116 0.70926915710496 0.58526711415957 15.999 > 37 87 O 0.56983734945884 0.20926915710496 0.91473288584043 15.999 > 39 88 O 0.56983734945884 0.70926915710496 0.91473288584043 15.999 > 39 89 O 0.43016265054116 0.29073084289504 0.08526711415957 15.999 > 41 90 O 0.43016265054116 0.79073084289504 0.08526711415957 15.999 > 41 91 O 0.15578363088816 0.31319965599867 0.07711253249051 15.999 > 43 92 O 0.15578363088816 0.81319965599867 0.07711253249051 15.999 > 43 93 O 0.37263310132919 0.19257763621577 0.27009582325432 15.999 > 45 94 O 0.37263310132919 0.69257763621577 0.27009582325432 15.999 > 45 95 O 0.12736689867081 0.44257763621577 0.22990417674568 15.999 > 47 96 O 0.12736689867081 0.94257763621577 0.22990417674568 15.999 > 47 97 O 0.62736689867081 0.30742236378423 0.72990417674568 15.999 > 49 98 O 0.62736689867081 0.80742236378423 0.72990417674568 15.999 > 49 99 O 0.87263310132919 0.05742236378423 0.77009582325432 15.999 > 51 100 O 0.87263310132919 0.55742236378423 0.77009582325432 15.999 > 51 101 O 0.34421636911184 0.06319965599867 0.42288746750949 15.999 > 53 102 O 0.34421636911184 0.56319965599867 0.42288746750949 15.999 > 53 103 O 0.65578363088816 0.43680034400133 0.57711253249051 15.999 > 55 104 O 0.65578363088816 0.93680034400133 0.57711253249051 15.999 > 55 105 P 0.36330871233607 0.02564613513105 0.84137921762150 30.974 > 105 106 P 0.36330871233607 0.52564613513105 0.84137921762150 30.974 > 105 107 P 0.35436823955642 0.32400487735144 0.90347688061124 30.974 > 107 108 P 0.35436823955642 0.82400487735144 0.90347688061124 30.974 > 107 109 P 0.14563176044358 0.07400487735144 0.59652311938876 30.974 > 109 110 P 0.14563176044358 0.57400487735144 0.59652311938876 30.974 > 109 111 P 0.64563176044358 0.17599512264856 0.09652311938876 30.974 > 111 112 P 0.64563176044358 0.67599512264856 0.09652311938876 30.974 > 111 113 P 0.85436823955642 0.42599512264856 0.40347688061124 30.974 > 113 114 P 0.85436823955642 0.92599512264856 0.40347688061124 30.974 > 113 115 P 0.63669128766393 0.47435386486895 0.15862078237850 30.974 > 115 116 P 0.63669128766393 0.97435386486895 0.15862078237850 30.974 > 115 117 P 0.13669128766392 0.27564613513105 0.65862078237850 30.974 > 117 118 P 0.13669128766392 0.77564613513105 0.65862078237850 30.974 > 117 119 P 0.86330871233607 0.22435386486895 0.34137921762150 30.974 > 119 120 P 0.86330871233607 0.72435386486895 0.34137921762150 30.974 > 119 121 P 0.86330871233607 0.27564613513105 0.84137921762150 30.974 > 105 122 P 0.86330871233607 0.77564613513105 0.84137921762150 30.974 > 105 123 P 0.85436823955642 0.07400487735144 0.90347688061124 30.974 > 107 124 P 0.85436823955642 0.57400487735144 0.90347688061124 30.974 > 107 125 P 0.64563176044358 0.32400487735144 0.59652311938876 30.974 > 109 126 P 0.64563176044358 0.82400487735144 0.59652311938876 30.974 > 109 127 P 0.14563176044358 0.42599512264856 0.09652311938876 30.974 > 111 128 P 0.14563176044358 0.92599512264856 0.09652311938876 30.974 > 111 129 P 0.35436823955642 0.17599512264856 0.40347688061124 30.974 > 113 130 P 0.35436823955642 0.67599512264856 0.40347688061124 30.974 > 113 131 P 0.13669128766392 0.22435386486895 0.15862078237850 30.974 > 115 132 P 0.13669128766392 0.72435386486895 0.15862078237850 30.974 > 115 133 P 0.63669128766393 0.02564613513105 0.65862078237850 30.974 > 117 134 P 0.63669128766393 0.52564613513105 0.65862078237850 30.974 > 117 135 P 0.36330871233607 0.47435386486895 0.34137921762150 30.974 > 119 136 P 0.36330871233607 0.97435386486895 0.34137921762150 30.974 > 119 137 Tb 0.00000000000000 0.39759992825666 0.25000000000000 158.925 > 137 138 Tb 0.00000000000000 0.89759992825666 0.25000000000000 158.925 > 137 139 Tb 0.00000000000000 0.10240007174335 0.75000000000000 158.925 > 139 140 Tb 0.00000000000000 0.60240007174334 0.75000000000000 158.925 > 139 141 Tb 0.50000000000000 0.14759992825665 0.25000000000000 158.925 > 137 142 Tb 0.50000000000000 0.64759992825666 0.25000000000000 158.925 > 137 143 Tb 0.50000000000000 0.35240007174334 0.75000000000000 158.925 > 139 144 Tb 0.50000000000000 0.85240007174334 0.75000000000000 158.925 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7682924 0.0000000 0.0373275 0.0000000 2.7695285 0.0000000 0.0373277 0.0000000 2.7624120 -------------------------- Born effective charges -------------------------- 1 Li 1.0106344 -0.0000000 -0.0803048 -0.0000000 1.0965611 -0.0000000 -0.0551722 -0.0000000 1.2127625 2 Li 1.0106344 -0.0000000 -0.0803048 -0.0000000 1.0965611 -0.0000000 -0.0551722 -0.0000000 1.2127625 3 O -1.0402197 -0.0818377 -0.1485480 -0.1532344 -1.6594277 0.6341955 0.0088952 0.6906486 -2.0549953 4 O -2.1186310 0.4149229 0.2015547 0.2882488 -1.4180707 -0.0524837 0.2121583 -0.1343188 -1.1169717 5 O -2.1186310 -0.4149229 0.2015547 -0.2882488 -1.4180707 0.0524837 0.2121583 0.1343188 -1.1169717 6 O -2.1186310 0.4149229 0.2015547 0.2882488 -1.4180707 -0.0524837 0.2121583 -0.1343188 -1.1169717 7 O -2.1186310 -0.4149229 0.2015547 -0.2882488 -1.4180707 0.0524837 0.2121583 0.1343188 -1.1169717 8 O -2.2987278 -0.4352944 -1.1362123 -0.6103579 -1.0911822 -0.4639185 -1.1387323 -0.2442593 -1.9295987 9 O -2.2987278 0.4352944 -1.1362123 0.6103579 -1.0911822 0.4639185 -1.1387323 0.2442593 -1.9295987 10 O -2.2987278 -0.4352944 -1.1362123 -0.6103579 -1.0911822 -0.4639185 -1.1387323 -0.2442593 -1.9295987 11 O -2.2987278 0.4352944 -1.1362123 0.6103579 -1.0911822 0.4639185 -1.1387323 0.2442593 -1.9295987 12 O -1.0727084 -0.2234660 0.0715206 -0.3193239 -2.9845493 0.3596995 0.0800137 0.2002256 -1.0468005 13 O -0.9924404 -0.0325343 -0.0995748 -0.0481959 -1.7011443 -0.6224922 -0.1796845 -0.5027995 -2.1527075 14 O -1.0402197 0.0818377 -0.1485480 0.1532344 -1.6594277 -0.6341955 0.0088952 -0.6906486 -2.0549953 15 O -1.0402197 -0.0818377 -0.1485480 -0.1532344 -1.6594277 0.6341955 0.0088952 0.6906486 -2.0549953 16 O -1.0402197 0.0818377 -0.1485480 0.1532344 -1.6594277 -0.6341955 0.0088952 -0.6906486 -2.0549953 17 O -0.9924404 -0.0325343 -0.0995748 -0.0481959 -1.7011443 -0.6224922 -0.1796845 -0.5027995 -2.1527075 18 O -0.9924404 0.0325343 -0.0995748 0.0481959 -1.7011443 0.6224922 -0.1796845 0.5027995 -2.1527075 19 O -0.9924404 0.0325343 -0.0995748 0.0481959 -1.7011443 0.6224922 -0.1796845 0.5027995 -2.1527075 20 O -1.0727084 -0.2234660 0.0715206 -0.3193239 -2.9845493 0.3596995 0.0800137 0.2002256 -1.0468005 21 O -2.2845106 0.1496026 0.5493495 0.1397399 -1.1099745 -0.0087956 0.3891922 0.0039937 -1.2538974 22 O -2.2845106 -0.1496026 0.5493495 -0.1397399 -1.1099745 0.0087956 0.3891922 -0.0039937 -1.2538974 23 O -2.2845106 0.1496026 0.5493495 0.1397399 -1.1099745 -0.0087956 0.3891922 0.0039937 -1.2538974 24 O -2.2845106 -0.1496026 0.5493495 -0.1397399 -1.1099745 0.0087956 0.3891922 -0.0039937 -1.2538974 25 O -1.0727084 0.2234660 0.0715206 0.3193239 -2.9845493 -0.3596995 0.0800137 -0.2002256 -1.0468005 26 O -1.0727084 0.2234660 0.0715206 0.3193239 -2.9845493 -0.3596995 0.0800137 -0.2002256 -1.0468005 27 P 3.5758007 -0.1938736 0.8427275 0.0178177 3.6645144 -0.4272159 0.1821463 0.3675093 3.4306484 28 P 3.6311913 0.2801654 -0.0810392 0.2067433 3.8069616 -0.2780874 0.7332942 0.0045202 3.3989123 29 P 3.6311913 -0.2801654 -0.0810392 -0.2067433 3.8069616 0.2780874 0.7332942 -0.0045202 3.3989123 30 P 3.6311913 0.2801654 -0.0810392 0.2067433 3.8069616 -0.2780874 0.7332942 0.0045202 3.3989123 31 P 3.6311913 -0.2801654 -0.0810392 -0.2067433 3.8069616 0.2780874 0.7332942 -0.0045202 3.3989123 32 P 3.5758007 -0.1938736 0.8427275 0.0178177 3.6645144 -0.4272159 0.1821463 0.3675093 3.4306484 33 P 3.5758007 0.1938736 0.8427275 -0.0178177 3.6645144 0.4272159 0.1821463 -0.3675093 3.4306484 34 P 3.5758007 0.1938736 0.8427275 -0.0178177 3.6645144 0.4272159 0.1821463 -0.3675093 3.4306484 35 Tb 4.1898576 -0.0000000 -0.3192511 -0.0000000 3.8891843 -0.0000000 -0.5193940 -0.0000000 4.2380582 36 Tb 4.1898576 -0.0000000 -0.3192511 -0.0000000 3.8891843 -0.0000000 -0.5193940 -0.0000000 4.2380582 ---------------------------------------------------------------------------- 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 19, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 27, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 29, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 45, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 107, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 137, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000010 (yyy) 0.00000010 (yyy) 0.00000010 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:12:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:12:40]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.133852915434879 -3.507414199999999 0.000000000000000 b 8.133852915434879 3.507414199999999 0.000000000000000 c -5.656180873581309 0.000000000000000 7.747350221358877 Atomic positions (fractional): 1 Li 0.70700279656581 0.29299720343419 0.25000000000000 6.941 2 Li 0.29299720343419 0.70700279656581 0.75000000000000 6.941 3 O 0.60481661513689 0.17036411484906 0.45764216163125 15.999 4 O 0.43439700629960 0.43726611580751 0.79767492563182 15.999 5 O 0.56273388419249 0.56560299370040 0.70232507436818 15.999 6 O 0.56560299370040 0.56273388419249 0.20232507436818 15.999 7 O 0.43726611580751 0.43439700629960 0.29767492563182 15.999 8 O 0.66854914426973 0.82115735386274 0.84191506421262 15.999 9 O 0.17884264613726 0.33145085573027 0.65808493578738 15.999 10 O 0.33145085573027 0.17884264613726 0.15808493578738 15.999 11 O 0.82115735386274 0.66854914426973 0.34191506421262 15.999 12 O 0.47061568110918 0.21781705711450 0.92288746750949 15.999 13 O 0.98837566366876 0.15129903524891 0.41473288584043 15.999 14 O 0.82963588515094 0.39518338486311 0.04235783836875 15.999 15 O 0.39518338486311 0.82963588515094 0.54235783836875 15.999 16 O 0.17036411484906 0.60481661513689 0.95764216163125 15.999 17 O 0.01162433633124 0.84870096475109 0.58526711415957 15.999 18 O 0.15129903524891 0.98837566366876 0.91473288584043 15.999 19 O 0.84870096475109 0.01162433633124 0.08526711415957 15.999 20 O 0.52938431889082 0.78218294288550 0.07711253249051 15.999 21 O 0.98747782889765 0.75778837376074 0.27009582325432 15.999 22 O 0.24221162623926 0.01252217110235 0.22990417674568 15.999 23 O 0.01252217110235 0.24221162623926 0.72990417674568 15.999 24 O 0.75778837376074 0.98747782889765 0.77009582325432 15.999 25 O 0.21781705711450 0.47061568110918 0.42288746750949 15.999 26 O 0.78218294288550 0.52938431889082 0.57711253249051 15.999 27 P 0.31201644207397 0.41460098259818 0.84137921762150 30.974 28 P 0.70635848485354 0.00237799425930 0.90347688061124 30.974 29 P 0.99762200574070 0.29364151514646 0.59652311938876 30.974 30 P 0.29364151514646 0.99762200574070 0.09652311938876 30.974 31 P 0.00237799425930 0.70635848485354 0.40347688061124 30.974 32 P 0.68798355792603 0.58539901740182 0.15862078237850 30.974 33 P 0.58539901740182 0.68798355792603 0.65862078237850 30.974 34 P 0.41460098259818 0.31201644207397 0.34137921762150 30.974 35 Tb 0.20480014348669 0.79519985651331 0.25000000000000 158.925 36 Tb 0.79519985651331 0.20480014348669 0.75000000000000 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.267705830869758 0.000000000000000 0.000000000000000 b 0.000000000000000 14.029656799999998 0.000000000000000 c -5.656180873581309 0.000000000000000 7.747350221358877 Atomic positions (fractional): 1 Li 0.00000000000000 0.14649860171710 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.64649860171710 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.35350139828290 0.75000000000000 6.941 > 3 4 Li 0.00000000000000 0.85350139828290 0.75000000000000 6.941 > 3 5 Li 0.50000000000000 0.39649860171710 0.25000000000000 6.941 > 1 6 Li 0.50000000000000 0.89649860171710 0.25000000000000 6.941 > 1 7 Li 0.50000000000000 0.10350139828290 0.75000000000000 6.941 > 3 8 Li 0.50000000000000 0.60350139828290 0.75000000000000 6.941 > 3 9 O 0.88759036499297 0.14138687492804 0.45764216163125 15.999 > 9 10 O 0.88759036499297 0.64138687492804 0.45764216163125 15.999 > 9 11 O 0.93583156105355 0.25071727737698 0.79767492563182 15.999 > 11 12 O 0.93583156105355 0.75071727737698 0.79767492563182 15.999 > 11 13 O 0.06416843894645 0.25071727737698 0.70232507436818 15.999 > 13 14 O 0.06416843894645 0.75071727737698 0.70232507436818 15.999 > 13 15 O 0.06416843894645 0.24928272262302 0.20232507436818 15.999 > 15 16 O 0.06416843894645 0.74928272262302 0.20232507436818 15.999 > 15 17 O 0.93583156105355 0.24928272262302 0.29767492563182 15.999 > 17 18 O 0.93583156105355 0.74928272262302 0.29767492563182 15.999 > 17 19 O 0.24485324906624 0.28815205239825 0.84191506421262 15.999 > 19 20 O 0.24485324906624 0.78815205239825 0.84191506421262 15.999 > 19 21 O 0.25514675093376 0.03815205239825 0.65808493578738 15.999 > 21 22 O 0.25514675093376 0.53815205239825 0.65808493578738 15.999 > 21 23 O 0.75514675093377 0.21184794760175 0.15808493578738 15.999 > 23 24 O 0.75514675093377 0.71184794760175 0.15808493578738 15.999 > 23 25 O 0.74485324906623 0.46184794760175 0.34191506421262 15.999 > 25 26 O 0.74485324906623 0.96184794760175 0.34191506421262 15.999 > 25 27 O 0.34421636911184 0.43680034400133 0.92288746750949 15.999 > 27 28 O 0.34421636911184 0.93680034400133 0.92288746750949 15.999 > 27 29 O 0.06983734945884 0.04073084289504 0.41473288584043 15.999 > 29 30 O 0.06983734945884 0.54073084289504 0.41473288584043 15.999 > 29 31 O 0.61240963500703 0.39138687492804 0.04235783836875 15.999 > 31 32 O 0.61240963500703 0.89138687492804 0.04235783836875 15.999 > 31 33 O 0.11240963500703 0.35861312507196 0.54235783836875 15.999 > 33 34 O 0.11240963500703 0.85861312507196 0.54235783836875 15.999 > 33 35 O 0.38759036499297 0.10861312507196 0.95764216163125 15.999 > 35 36 O 0.38759036499297 0.60861312507196 0.95764216163125 15.999 > 35 37 O 0.93016265054116 0.45926915710496 0.58526711415957 15.999 > 37 38 O 0.93016265054116 0.95926915710496 0.58526711415957 15.999 > 37 39 O 0.06983734945884 0.45926915710496 0.91473288584043 15.999 > 39 40 O 0.06983734945884 0.95926915710496 0.91473288584043 15.999 > 39 41 O 0.93016265054116 0.04073084289504 0.08526711415957 15.999 > 41 42 O 0.93016265054116 0.54073084289504 0.08526711415957 15.999 > 41 43 O 0.65578363088816 0.06319965599867 0.07711253249051 15.999 > 43 44 O 0.65578363088816 0.56319965599867 0.07711253249051 15.999 > 43 45 O 0.87263310132919 0.44257763621577 0.27009582325432 15.999 > 45 46 O 0.87263310132919 0.94257763621577 0.27009582325432 15.999 > 45 47 O 0.62736689867081 0.19257763621577 0.22990417674568 15.999 > 47 48 O 0.62736689867081 0.69257763621577 0.22990417674568 15.999 > 47 49 O 0.12736689867081 0.05742236378423 0.72990417674568 15.999 > 49 50 O 0.12736689867081 0.55742236378423 0.72990417674568 15.999 > 49 51 O 0.37263310132919 0.30742236378423 0.77009582325432 15.999 > 51 52 O 0.37263310132919 0.80742236378423 0.77009582325432 15.999 > 51 53 O 0.84421636911184 0.31319965599867 0.42288746750949 15.999 > 53 54 O 0.84421636911184 0.81319965599867 0.42288746750949 15.999 > 53 55 O 0.15578363088816 0.18680034400133 0.57711253249051 15.999 > 55 56 O 0.15578363088816 0.68680034400133 0.57711253249051 15.999 > 55 57 O 0.38759036499297 0.39138687492804 0.45764216163125 15.999 > 9 58 O 0.38759036499297 0.89138687492804 0.45764216163125 15.999 > 9 59 O 0.43583156105355 0.00071727737698 0.79767492563182 15.999 > 11 60 O 0.43583156105355 0.50071727737698 0.79767492563182 15.999 > 11 61 O 0.56416843894645 0.00071727737698 0.70232507436818 15.999 > 13 62 O 0.56416843894645 0.50071727737698 0.70232507436818 15.999 > 13 63 O 0.56416843894645 0.49928272262302 0.20232507436818 15.999 > 15 64 O 0.56416843894645 0.99928272262302 0.20232507436818 15.999 > 15 65 O 0.43583156105355 0.49928272262302 0.29767492563182 15.999 > 17 66 O 0.43583156105355 0.99928272262302 0.29767492563182 15.999 > 17 67 O 0.74485324906623 0.03815205239825 0.84191506421262 15.999 > 19 68 O 0.74485324906623 0.53815205239825 0.84191506421262 15.999 > 19 69 O 0.75514675093377 0.28815205239825 0.65808493578738 15.999 > 21 70 O 0.75514675093377 0.78815205239825 0.65808493578738 15.999 > 21 71 O 0.25514675093376 0.46184794760175 0.15808493578738 15.999 > 23 72 O 0.25514675093376 0.96184794760175 0.15808493578738 15.999 > 23 73 O 0.24485324906624 0.21184794760175 0.34191506421262 15.999 > 25 74 O 0.24485324906624 0.71184794760175 0.34191506421262 15.999 > 25 75 O 0.84421636911184 0.18680034400133 0.92288746750949 15.999 > 27 76 O 0.84421636911184 0.68680034400133 0.92288746750949 15.999 > 27 77 O 0.56983734945884 0.29073084289504 0.41473288584043 15.999 > 29 78 O 0.56983734945884 0.79073084289504 0.41473288584043 15.999 > 29 79 O 0.11240963500703 0.14138687492804 0.04235783836875 15.999 > 31 80 O 0.11240963500703 0.64138687492804 0.04235783836875 15.999 > 31 81 O 0.61240963500703 0.10861312507196 0.54235783836875 15.999 > 33 82 O 0.61240963500703 0.60861312507196 0.54235783836875 15.999 > 33 83 O 0.88759036499297 0.35861312507196 0.95764216163125 15.999 > 35 84 O 0.88759036499297 0.85861312507196 0.95764216163125 15.999 > 35 85 O 0.43016265054116 0.20926915710496 0.58526711415957 15.999 > 37 86 O 0.43016265054116 0.70926915710496 0.58526711415957 15.999 > 37 87 O 0.56983734945884 0.20926915710496 0.91473288584043 15.999 > 39 88 O 0.56983734945884 0.70926915710496 0.91473288584043 15.999 > 39 89 O 0.43016265054116 0.29073084289504 0.08526711415957 15.999 > 41 90 O 0.43016265054116 0.79073084289504 0.08526711415957 15.999 > 41 91 O 0.15578363088816 0.31319965599867 0.07711253249051 15.999 > 43 92 O 0.15578363088816 0.81319965599867 0.07711253249051 15.999 > 43 93 O 0.37263310132919 0.19257763621577 0.27009582325432 15.999 > 45 94 O 0.37263310132919 0.69257763621577 0.27009582325432 15.999 > 45 95 O 0.12736689867081 0.44257763621577 0.22990417674568 15.999 > 47 96 O 0.12736689867081 0.94257763621577 0.22990417674568 15.999 > 47 97 O 0.62736689867081 0.30742236378423 0.72990417674568 15.999 > 49 98 O 0.62736689867081 0.80742236378423 0.72990417674568 15.999 > 49 99 O 0.87263310132919 0.05742236378423 0.77009582325432 15.999 > 51 100 O 0.87263310132919 0.55742236378423 0.77009582325432 15.999 > 51 101 O 0.34421636911184 0.06319965599867 0.42288746750949 15.999 > 53 102 O 0.34421636911184 0.56319965599867 0.42288746750949 15.999 > 53 103 O 0.65578363088816 0.43680034400133 0.57711253249051 15.999 > 55 104 O 0.65578363088816 0.93680034400133 0.57711253249051 15.999 > 55 105 P 0.36330871233607 0.02564613513105 0.84137921762150 30.974 > 105 106 P 0.36330871233607 0.52564613513105 0.84137921762150 30.974 > 105 107 P 0.35436823955642 0.32400487735144 0.90347688061124 30.974 > 107 108 P 0.35436823955642 0.82400487735144 0.90347688061124 30.974 > 107 109 P 0.14563176044358 0.07400487735144 0.59652311938876 30.974 > 109 110 P 0.14563176044358 0.57400487735144 0.59652311938876 30.974 > 109 111 P 0.64563176044358 0.17599512264856 0.09652311938876 30.974 > 111 112 P 0.64563176044358 0.67599512264856 0.09652311938876 30.974 > 111 113 P 0.85436823955642 0.42599512264856 0.40347688061124 30.974 > 113 114 P 0.85436823955642 0.92599512264856 0.40347688061124 30.974 > 113 115 P 0.63669128766393 0.47435386486895 0.15862078237850 30.974 > 115 116 P 0.63669128766393 0.97435386486895 0.15862078237850 30.974 > 115 117 P 0.13669128766392 0.27564613513105 0.65862078237850 30.974 > 117 118 P 0.13669128766392 0.77564613513105 0.65862078237850 30.974 > 117 119 P 0.86330871233607 0.22435386486895 0.34137921762150 30.974 > 119 120 P 0.86330871233607 0.72435386486895 0.34137921762150 30.974 > 119 121 P 0.86330871233607 0.27564613513105 0.84137921762150 30.974 > 105 122 P 0.86330871233607 0.77564613513105 0.84137921762150 30.974 > 105 123 P 0.85436823955642 0.07400487735144 0.90347688061124 30.974 > 107 124 P 0.85436823955642 0.57400487735144 0.90347688061124 30.974 > 107 125 P 0.64563176044358 0.32400487735144 0.59652311938876 30.974 > 109 126 P 0.64563176044358 0.82400487735144 0.59652311938876 30.974 > 109 127 P 0.14563176044358 0.42599512264856 0.09652311938876 30.974 > 111 128 P 0.14563176044358 0.92599512264856 0.09652311938876 30.974 > 111 129 P 0.35436823955642 0.17599512264856 0.40347688061124 30.974 > 113 130 P 0.35436823955642 0.67599512264856 0.40347688061124 30.974 > 113 131 P 0.13669128766392 0.22435386486895 0.15862078237850 30.974 > 115 132 P 0.13669128766392 0.72435386486895 0.15862078237850 30.974 > 115 133 P 0.63669128766393 0.02564613513105 0.65862078237850 30.974 > 117 134 P 0.63669128766393 0.52564613513105 0.65862078237850 30.974 > 117 135 P 0.36330871233607 0.47435386486895 0.34137921762150 30.974 > 119 136 P 0.36330871233607 0.97435386486895 0.34137921762150 30.974 > 119 137 Tb 0.00000000000000 0.39759992825666 0.25000000000000 158.925 > 137 138 Tb 0.00000000000000 0.89759992825666 0.25000000000000 158.925 > 137 139 Tb 0.00000000000000 0.10240007174335 0.75000000000000 158.925 > 139 140 Tb 0.00000000000000 0.60240007174334 0.75000000000000 158.925 > 139 141 Tb 0.50000000000000 0.14759992825665 0.25000000000000 158.925 > 137 142 Tb 0.50000000000000 0.64759992825666 0.25000000000000 158.925 > 137 143 Tb 0.50000000000000 0.35240007174334 0.75000000000000 158.925 > 139 144 Tb 0.50000000000000 0.85240007174334 0.75000000000000 158.925 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7682924 0.0000000 0.0373275 0.0000000 2.7695285 0.0000000 0.0373277 0.0000000 2.7624120 -------------------------- Born effective charges -------------------------- 1 Li 1.0106344 -0.0000000 -0.0803048 -0.0000000 1.0965611 -0.0000000 -0.0551722 -0.0000000 1.2127625 2 Li 1.0106344 -0.0000000 -0.0803048 -0.0000000 1.0965611 -0.0000000 -0.0551722 -0.0000000 1.2127625 3 O -1.0402197 -0.0818377 -0.1485480 -0.1532344 -1.6594277 0.6341955 0.0088952 0.6906486 -2.0549953 4 O -2.1186310 0.4149229 0.2015547 0.2882488 -1.4180707 -0.0524837 0.2121583 -0.1343188 -1.1169717 5 O -2.1186310 -0.4149229 0.2015547 -0.2882488 -1.4180707 0.0524837 0.2121583 0.1343188 -1.1169717 6 O -2.1186310 0.4149229 0.2015547 0.2882488 -1.4180707 -0.0524837 0.2121583 -0.1343188 -1.1169717 7 O -2.1186310 -0.4149229 0.2015547 -0.2882488 -1.4180707 0.0524837 0.2121583 0.1343188 -1.1169717 8 O -2.2987278 -0.4352944 -1.1362123 -0.6103579 -1.0911822 -0.4639185 -1.1387323 -0.2442593 -1.9295987 9 O -2.2987278 0.4352944 -1.1362123 0.6103579 -1.0911822 0.4639185 -1.1387323 0.2442593 -1.9295987 10 O -2.2987278 -0.4352944 -1.1362123 -0.6103579 -1.0911822 -0.4639185 -1.1387323 -0.2442593 -1.9295987 11 O -2.2987278 0.4352944 -1.1362123 0.6103579 -1.0911822 0.4639185 -1.1387323 0.2442593 -1.9295987 12 O -1.0727084 -0.2234660 0.0715206 -0.3193239 -2.9845493 0.3596995 0.0800137 0.2002256 -1.0468005 13 O -0.9924404 -0.0325343 -0.0995748 -0.0481959 -1.7011443 -0.6224922 -0.1796845 -0.5027995 -2.1527075 14 O -1.0402197 0.0818377 -0.1485480 0.1532344 -1.6594277 -0.6341955 0.0088952 -0.6906486 -2.0549953 15 O -1.0402197 -0.0818377 -0.1485480 -0.1532344 -1.6594277 0.6341955 0.0088952 0.6906486 -2.0549953 16 O -1.0402197 0.0818377 -0.1485480 0.1532344 -1.6594277 -0.6341955 0.0088952 -0.6906486 -2.0549953 17 O -0.9924404 -0.0325343 -0.0995748 -0.0481959 -1.7011443 -0.6224922 -0.1796845 -0.5027995 -2.1527075 18 O -0.9924404 0.0325343 -0.0995748 0.0481959 -1.7011443 0.6224922 -0.1796845 0.5027995 -2.1527075 19 O -0.9924404 0.0325343 -0.0995748 0.0481959 -1.7011443 0.6224922 -0.1796845 0.5027995 -2.1527075 20 O -1.0727084 -0.2234660 0.0715206 -0.3193239 -2.9845493 0.3596995 0.0800137 0.2002256 -1.0468005 21 O -2.2845106 0.1496026 0.5493495 0.1397399 -1.1099745 -0.0087956 0.3891922 0.0039937 -1.2538974 22 O -2.2845106 -0.1496026 0.5493495 -0.1397399 -1.1099745 0.0087956 0.3891922 -0.0039937 -1.2538974 23 O -2.2845106 0.1496026 0.5493495 0.1397399 -1.1099745 -0.0087956 0.3891922 0.0039937 -1.2538974 24 O -2.2845106 -0.1496026 0.5493495 -0.1397399 -1.1099745 0.0087956 0.3891922 -0.0039937 -1.2538974 25 O -1.0727084 0.2234660 0.0715206 0.3193239 -2.9845493 -0.3596995 0.0800137 -0.2002256 -1.0468005 26 O -1.0727084 0.2234660 0.0715206 0.3193239 -2.9845493 -0.3596995 0.0800137 -0.2002256 -1.0468005 27 P 3.5758007 -0.1938736 0.8427275 0.0178177 3.6645144 -0.4272159 0.1821463 0.3675093 3.4306484 28 P 3.6311913 0.2801654 -0.0810392 0.2067433 3.8069616 -0.2780874 0.7332942 0.0045202 3.3989123 29 P 3.6311913 -0.2801654 -0.0810392 -0.2067433 3.8069616 0.2780874 0.7332942 -0.0045202 3.3989123 30 P 3.6311913 0.2801654 -0.0810392 0.2067433 3.8069616 -0.2780874 0.7332942 0.0045202 3.3989123 31 P 3.6311913 -0.2801654 -0.0810392 -0.2067433 3.8069616 0.2780874 0.7332942 -0.0045202 3.3989123 32 P 3.5758007 -0.1938736 0.8427275 0.0178177 3.6645144 -0.4272159 0.1821463 0.3675093 3.4306484 33 P 3.5758007 0.1938736 0.8427275 -0.0178177 3.6645144 0.4272159 0.1821463 -0.3675093 3.4306484 34 P 3.5758007 0.1938736 0.8427275 -0.0178177 3.6645144 0.4272159 0.1821463 -0.3675093 3.4306484 35 Tb 4.1898576 -0.0000000 -0.3192511 -0.0000000 3.8891843 -0.0000000 -0.5193940 -0.0000000 4.2380582 36 Tb 4.1898576 -0.0000000 -0.3192511 -0.0000000 3.8891843 -0.0000000 -0.5193940 -0.0000000 4.2380582 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000010 (yyy) 0.00000010 (yyy) 0.00000010 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/114) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.053 ( 0.000 0.000 0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 3.442 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 3.897 ( 0.000 0.000 0.000) 0.000 3.989 ( 0.000 0.000 0.000) 0.000 4.344 ( 0.000 0.000 0.000) 0.000 4.435 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.779 ( 0.000 0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 4.896 ( 0.000 0.000 0.000) 0.000 5.164 ( 0.000 0.000 0.000) 0.000 5.262 ( 0.000 0.000 0.000) 0.000 5.416 ( 0.000 0.000 0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 5.808 ( 0.000 0.000 0.000) 0.000 5.845 ( 0.000 0.000 0.000) 0.000 5.877 ( 0.000 0.000 0.000) 0.000 6.260 ( 0.000 0.000 0.000) 0.000 6.527 ( 0.000 0.000 0.000) 0.000 6.608 ( 0.000 0.000 0.000) 0.000 7.628 ( 0.000 0.000 0.000) 0.000 8.071 ( 0.000 0.000 0.000) 0.000 8.272 ( 0.000 0.000 0.000) 0.000 8.311 ( 0.000 0.000 0.000) 0.000 8.827 ( 0.000 0.000 0.000) 0.000 8.968 ( 0.000 0.000 0.000) 0.000 9.109 ( 0.000 0.000 0.000) 0.000 9.200 ( 0.000 0.000 0.000) 0.000 9.341 ( 0.000 0.000 0.000) 0.000 9.710 ( 0.000 0.000 0.000) 0.000 9.736 ( 0.000 0.000 0.000) 0.000 9.744 ( 0.000 0.000 0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 10.363 ( 0.000 0.000 0.000) 0.000 10.393 ( 0.000 0.000 0.000) 0.000 11.147 ( 0.000 0.000 0.000) 0.000 11.237 ( 0.000 0.000 0.000) 0.000 11.249 ( 0.000 0.000 0.000) 0.000 11.251 ( 0.000 0.000 0.000) 0.000 11.466 ( 0.000 0.000 0.000) 0.000 11.614 ( 0.000 0.000 0.000) 0.000 11.650 ( 0.000 0.000 0.000) 0.000 12.093 ( 0.000 0.000 0.000) 0.000 12.335 ( 0.000 0.000 0.000) 0.000 12.454 ( 0.000 0.000 0.000) 0.000 12.519 ( 0.000 0.000 0.000) 0.000 12.965 ( 0.000 0.000 0.000) 0.000 13.114 ( 0.000 0.000 0.000) 0.000 13.137 ( 0.000 0.000 0.000) 0.000 13.499 ( 0.000 0.000 0.000) 0.000 13.708 ( 0.000 0.000 0.000) 0.000 13.713 ( 0.000 0.000 0.000) 0.000 14.271 ( 0.000 0.000 0.000) 0.000 14.618 ( 0.000 0.000 0.000) 0.000 14.643 ( 0.000 0.000 0.000) 0.000 14.795 ( 0.000 0.000 0.000) 0.000 15.077 ( 0.000 0.000 0.000) 0.000 15.217 ( 0.000 0.000 0.000) 0.000 15.530 ( 0.000 0.000 0.000) 0.000 16.222 ( 0.000 0.000 0.000) 0.000 16.588 ( 0.000 0.000 0.000) 0.000 16.706 ( 0.000 0.000 0.000) 0.000 16.976 ( 0.000 0.000 0.000) 0.000 17.134 ( 0.000 0.000 0.000) 0.000 17.161 ( 0.000 0.000 0.000) 0.000 17.227 ( 0.000 0.000 0.000) 0.000 19.697 ( 0.000 0.000 0.000) 0.000 20.138 ( 0.000 0.000 0.000) 0.000 20.887 ( 0.000 0.000 0.000) 0.000 21.006 ( 0.000 0.000 0.000) 0.000 21.857 ( 0.000 0.000 0.000) 0.000 22.287 ( 0.000 0.000 0.000) 0.000 23.184 ( 0.000 0.000 0.000) 0.000 23.522 ( 0.000 0.000 0.000) 0.000 26.955 ( 0.000 0.000 0.000) 0.000 26.967 ( 0.000 0.000 0.000) 0.000 29.308 ( 0.000 0.000 0.000) 0.000 29.431 ( 0.000 0.000 0.000) 0.000 30.291 ( 0.000 0.000 0.000) 0.000 30.691 ( 0.000 0.000 0.000) 0.000 30.881 ( 0.000 0.000 0.000) 0.000 30.915 ( 0.000 0.000 0.000) 0.000 31.471 ( 0.000 0.000 0.000) 0.000 31.679 ( 0.000 0.000 0.000) 0.000 31.865 ( 0.000 0.000 0.000) 0.000 32.009 ( 0.000 0.000 0.000) 0.000 32.442 ( 0.000 0.000 0.000) 0.000 32.645 ( 0.000 0.000 0.000) 0.000 33.580 ( 0.000 0.000 0.000) 0.000 34.089 ( 0.000 0.000 0.000) 0.000 35.305 ( 0.000 0.000 0.000) 0.000 35.409 ( 0.000 0.000 0.000) 0.000 35.532 ( 0.000 0.000 0.000) 0.000 36.097 ( 0.000 0.000 0.000) 0.000 36.103 ( 0.000 0.000 0.000) 0.000 36.175 ( 0.000 0.000 0.000) 0.000 36.466 ( 0.000 0.000 0.000) 0.000 38.388 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/114) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 17.941 -22.649 7.338) 29.811 0.721 ( 26.319 -24.177 14.251) 38.475 1.122 ( 11.278 -49.993 16.285) 53.774 2.164 ( 10.459 -4.790 2.399) 11.751 2.463 ( -1.484 -13.761 3.562) 14.292 2.661 ( 0.885 3.839 1.123) 4.097 2.755 ( 0.915 8.709 0.220) 8.760 3.139 ( -0.300 12.329 -1.779) 12.460 3.468 ( 1.929 -0.611 3.818) 4.321 3.589 ( -0.656 2.063 -4.538) 5.028 3.642 ( 0.403 2.154 3.174) 3.857 3.832 ( -10.764 -0.741 -3.698) 11.406 3.900 ( -0.562 -1.010 -4.466) 4.613 4.032 ( 4.361 -0.635 -2.863) 5.256 4.316 ( -6.916 6.126 0.463) 9.250 4.437 ( 1.931 -4.001 -5.640) 7.179 4.611 ( -6.756 -2.799 -8.038) 10.867 4.856 ( -0.382 0.725 -0.711) 1.084 4.964 ( 2.807 -8.109 4.628) 9.749 5.056 ( -8.158 -8.587 4.388) 12.631 5.270 ( 3.956 0.615 -1.229) 4.188 5.313 ( 2.408 -4.815 4.522) 7.030 5.345 ( -6.912 1.874 -6.837) 9.901 5.532 ( -6.369 5.258 -5.106) 9.710 5.799 ( 3.073 5.040 1.146) 6.013 5.852 ( 4.266 2.969 5.488) 7.559 5.909 ( -1.807 1.646 4.342) 4.983 6.291 ( 1.492 -2.067 1.159) 2.801 6.474 ( -1.431 4.432 0.091) 4.659 6.623 ( -5.343 -2.688 -1.289) 6.118 7.675 ( 8.805 -0.522 2.512) 9.171 8.004 ( -6.575 2.948 -6.269) 9.551 8.193 ( 5.820 6.663 0.241) 8.850 8.398 ( 2.194 -3.278 -1.902) 4.379 8.865 ( 3.994 3.143 10.282) 11.470 9.019 ( 0.932 -2.513 2.017) 3.355 9.133 ( 1.098 -1.495 -0.162) 1.861 9.233 ( 0.890 -2.326 0.547) 2.550 9.355 ( 1.619 0.579 2.721) 3.219 9.654 ( -6.407 -0.785 0.765) 6.501 9.770 ( -5.175 -0.188 0.858) 5.249 9.869 ( 13.752 2.256 6.702) 15.464 10.007 ( 6.907 2.012 -2.336) 7.564 10.318 ( -0.588 4.485 -6.048) 7.552 10.397 ( 3.079 1.876 3.018) 4.702 10.958 ( -4.278 10.651 -1.128) 11.533 11.190 ( -5.516 2.704 -1.133) 6.247 11.233 ( 2.316 3.048 -0.862) 3.924 11.377 ( -2.100 -4.408 -2.300) 5.397 11.501 ( 4.512 2.113 9.093) 10.368 11.618 ( 2.776 1.834 2.037) 3.901 11.678 ( -0.038 -1.293 4.414) 4.600 12.075 ( -1.311 -1.587 -2.337) 3.114 12.354 ( 4.675 2.884 2.847) 6.187 12.501 ( 0.831 2.393 0.091) 2.534 12.655 ( 1.960 -3.853 0.105) 4.324 12.918 ( 0.182 4.642 -0.645) 4.690 13.113 ( 0.194 4.866 1.016) 4.975 13.176 ( 1.121 -3.293 -0.539) 3.520 13.587 ( -1.739 0.943 -1.643) 2.572 13.597 ( -0.434 1.576 0.253) 1.654 13.792 ( -4.310 -6.432 -1.872) 7.965 14.274 ( 11.899 11.473 12.076) 20.470 14.587 ( -0.135 1.264 0.095) 1.275 14.745 ( 0.536 -8.830 -0.036) 8.846 15.177 ( -3.303 -8.899 -2.597) 9.841 15.317 ( 3.084 -9.506 4.029) 10.776 15.548 ( -4.423 -8.820 -4.724) 10.939 16.012 ( -3.027 7.453 -7.535) 11.022 16.179 ( 0.334 9.058 6.584) 11.203 16.650 ( -1.339 5.417 -0.682) 5.621 16.980 ( -2.387 -2.589 -1.170) 3.711 17.168 ( -2.944 -2.435 -3.342) 5.077 17.202 ( -1.150 -4.411 -1.194) 4.712 17.218 ( -1.934 -2.830 1.889) 3.914 17.492 ( -19.570 -12.593 -16.459) 28.504 19.755 ( 2.542 -3.357 -0.478) 4.238 20.175 ( -0.897 -5.150 -2.295) 5.709 20.777 ( 1.072 9.964 -0.289) 10.025 21.002 ( -0.035 2.916 0.196) 2.923 21.932 ( -1.836 -5.899 6.964) 9.309 22.376 ( 0.509 -8.657 0.727) 8.703 23.127 ( -2.852 4.178 -2.053) 5.459 23.534 ( -2.756 3.954 -1.640) 5.091 27.041 ( 0.041 -9.498 -0.016) 9.498 28.115 ( -66.448 -44.861 -43.584) 91.255 29.218 ( 6.314 14.624 -0.907) 15.955 29.335 ( 1.278 12.032 0.864) 12.131 30.734 ( 12.877 1.112 0.547) 12.936 30.810 ( 3.346 -0.054 9.299) 9.883 30.934 ( -0.316 -2.757 -0.805) 2.889 31.089 ( 20.897 7.296 17.555) 28.250 31.716 ( -1.243 -3.345 -0.500) 3.604 31.762 ( -1.704 7.659 2.168) 8.140 31.915 ( 1.516 9.316 -0.190) 9.441 32.325 ( -6.567 -8.883 7.160) 13.164 32.745 ( 0.883 -8.495 2.798) 8.988 32.947 ( 67.395 33.005 20.610) 77.822 33.552 ( -1.063 2.748 -0.961) 3.099 34.050 ( -1.034 4.122 0.652) 4.300 35.312 ( 0.477 -0.637 -0.103) 0.803 35.420 ( -0.195 -1.274 -0.057) 1.290 35.540 ( 0.561 -0.942 -0.895) 1.415 36.090 ( 2.769 0.182 -5.457) 6.122 36.175 ( -3.439 0.413 6.040) 6.963 36.434 ( -2.272 1.980 -1.723) 3.471 37.069 ( -23.256 -18.241 -8.799) 30.839 38.367 ( 2.570 6.526 2.957) 7.612 ======================= Grid point 2 (3/114) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 17.723 -23.103 6.348) 29.802 1.413 ( 24.307 -22.995 11.150) 35.269 2.014 ( 1.371 -29.146 7.019) 30.011 2.324 ( 8.257 -5.929 2.173) 10.395 2.578 ( -0.183 -1.454 -6.856) 7.011 2.726 ( 8.176 -7.619 4.855) 12.185 2.873 ( 3.602 -11.752 4.462) 13.077 2.982 ( 4.566 -1.238 6.055) 7.684 3.476 ( -0.936 6.611 0.974) 6.748 3.541 ( 3.145 0.654 7.178) 7.864 3.643 ( -2.000 0.672 1.479) 2.576 3.703 ( -9.136 3.250 0.238) 9.699 3.848 ( -1.108 3.441 -5.184) 6.320 4.010 ( -1.404 3.742 -3.252) 5.153 4.180 ( -4.677 2.985 0.718) 5.595 4.423 ( -5.363 0.697 -5.657) 7.826 4.531 ( -4.357 1.215 -9.585) 10.599 4.794 ( -2.101 2.291 -1.539) 3.469 4.955 ( -4.809 5.513 1.100) 7.398 5.118 ( -4.610 2.015 -4.618) 6.829 5.270 ( -1.731 -2.197 -4.118) 4.978 5.340 ( -3.611 -3.752 -0.311) 5.217 5.446 ( 0.902 -7.932 -0.644) 8.009 5.557 ( 4.757 -7.227 8.733) 12.294 5.718 ( 2.340 6.273 0.825) 6.746 5.829 ( -2.951 1.989 -0.649) 3.617 5.852 ( 7.602 7.903 4.530) 11.865 6.348 ( -0.950 0.044 1.146) 1.489 6.367 ( -1.320 2.890 -0.844) 3.287 6.589 ( -9.342 -0.831 -2.384) 9.677 7.781 ( 8.609 -0.393 1.972) 8.841 7.894 ( -0.582 1.487 -1.567) 2.237 8.134 ( 1.177 2.690 -0.692) 3.017 8.440 ( 1.250 -1.845 -2.218) 3.144 8.895 ( -0.495 0.284 1.786) 1.875 9.076 ( 2.388 0.377 5.088) 5.633 9.146 ( 0.223 0.908 -1.808) 2.036 9.303 ( 4.750 -4.447 1.885) 6.774 9.372 ( 0.583 0.616 3.057) 3.173 9.601 ( -5.326 3.496 1.397) 6.522 9.773 ( 0.204 -0.325 -0.465) 0.603 9.903 ( 2.475 -2.479 -1.647) 3.871 10.076 ( -0.265 1.344 -1.182) 1.810 10.173 ( 1.566 3.302 0.662) 3.714 10.412 ( 3.372 1.229 2.044) 4.131 10.746 ( -2.164 9.048 -0.820) 9.339 11.073 ( -2.923 4.705 -1.344) 5.700 11.207 ( 2.786 0.347 -1.905) 3.392 11.373 ( -2.327 -0.375 -3.150) 3.934 11.569 ( 6.323 3.558 10.343) 12.634 11.612 ( 1.359 0.122 0.218) 1.382 11.746 ( -2.782 -5.111 3.958) 7.038 12.160 ( -0.630 -9.644 -1.539) 9.786 12.347 ( 3.354 2.853 1.890) 4.792 12.446 ( 1.941 4.803 -0.093) 5.181 12.681 ( -3.588 1.234 -2.426) 4.503 12.821 ( 2.165 6.913 0.611) 7.270 12.964 ( -8.170 7.176 -1.768) 11.017 13.238 ( 3.258 -1.951 -1.370) 4.037 13.558 ( 1.068 -2.251 4.091) 4.790 13.623 ( -1.229 -1.756 -2.662) 3.418 13.859 ( -5.811 -6.306 -1.408) 8.690 14.259 ( 12.868 8.460 10.626) 18.710 14.600 ( 0.798 -2.578 -0.237) 2.709 14.923 ( 1.574 -8.784 1.675) 9.079 15.279 ( -6.294 -8.933 -4.333) 11.755 15.486 ( -4.759 -3.377 -2.131) 6.213 15.689 ( 0.315 -9.936 -1.987) 10.138 15.874 ( 1.679 2.934 -0.870) 3.490 16.033 ( 1.851 6.303 4.041) 7.712 16.506 ( -1.758 8.172 -0.200) 8.362 17.022 ( -3.811 -5.202 -1.207) 6.560 17.090 ( -9.786 0.289 -7.557) 12.368 17.263 ( -3.192 -3.662 1.139) 4.989 17.321 ( 4.056 -3.365 3.274) 6.205 17.461 ( -2.010 -1.080 -7.487) 7.827 19.861 ( 4.108 -5.720 -0.603) 7.068 20.272 ( -1.547 -8.265 -3.570) 9.135 20.589 ( 1.045 11.633 0.199) 11.682 20.893 ( 0.243 8.718 0.206) 8.724 22.116 ( -1.181 -11.472 5.247) 12.670 22.577 ( 0.535 -12.193 0.772) 12.229 22.984 ( -3.726 7.084 -2.616) 8.421 23.400 ( -1.139 8.236 -0.676) 8.342 27.285 ( 0.866 -17.157 0.203) 17.180 28.176 ( -30.511 -23.576 -19.475) 43.197 28.957 ( 3.529 18.937 1.523) 19.323 29.060 ( 3.357 19.329 0.042) 19.618 30.818 ( 4.286 -2.276 0.167) 4.856 30.909 ( -3.770 -8.271 -1.894) 9.285 31.002 ( -1.315 -6.325 -1.325) 6.595 31.240 ( 8.748 -2.561 7.328) 11.695 31.586 ( -2.229 7.158 -2.256) 7.829 31.728 ( 0.612 10.529 0.872) 10.583 31.823 ( 2.565 -2.352 4.652) 5.809 32.476 ( 1.816 -4.997 7.216) 8.963 32.938 ( 9.491 -3.763 6.331) 12.014 33.021 ( 20.317 2.759 2.789) 20.692 33.466 ( -1.711 4.476 -1.790) 5.115 33.936 ( -2.118 7.713 1.060) 8.069 35.332 ( 0.774 -0.987 -0.130) 1.261 35.448 ( -0.756 -1.917 0.538) 2.130 35.561 ( 0.805 -1.411 -1.195) 2.017 36.078 ( 3.443 -0.087 -6.226) 7.115 36.175 ( -3.934 0.550 6.929) 7.987 36.352 ( -3.492 3.033 -2.510) 5.263 37.203 ( -11.720 -16.256 -6.570) 21.090 38.249 ( 5.005 12.362 5.272) 14.341 ======================= Grid point 3 (4/114) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 15.024 -21.257 4.603) 26.434 2.000 ( 19.552 -16.456 7.020) 26.502 2.227 ( -3.888 -5.779 -0.293) 6.971 2.529 ( 5.206 -3.931 -2.535) 6.999 2.643 ( -4.492 -8.537 -3.054) 10.119 2.792 ( 4.787 1.163 -2.988) 5.762 3.195 ( 5.216 -14.479 13.618) 20.550 3.281 ( -2.588 3.701 3.255) 5.567 3.358 ( 3.845 -1.433 -1.922) 4.531 3.491 ( 1.584 -1.263 -1.163) 2.336 3.614 ( 2.961 6.042 4.264) 7.966 3.710 ( -2.278 0.961 3.686) 4.439 3.752 ( -1.935 -2.818 3.671) 5.016 3.899 ( -8.276 1.825 4.751) 9.716 4.081 ( -4.665 3.624 -5.781) 8.266 4.350 ( -3.093 0.562 -8.490) 9.053 4.397 ( -0.959 2.243 -3.442) 4.219 4.758 ( -1.044 0.700 -0.803) 1.492 4.849 ( -4.064 0.605 -1.069) 4.245 5.038 ( -0.788 2.687 5.067) 5.790 5.221 ( -1.367 1.659 -1.304) 2.514 5.369 ( -5.690 -0.488 -3.705) 6.807 5.509 ( -3.669 3.485 -7.032) 8.663 5.593 ( 1.284 5.448 0.681) 5.639 5.669 ( 4.818 0.058 5.560) 7.357 5.827 ( 4.398 -1.980 -3.817) 6.150 5.909 ( 7.105 -3.138 7.492) 10.792 6.225 ( -4.271 5.166 -0.237) 6.707 6.394 ( -2.207 -1.796 -4.888) 5.656 6.502 ( -7.526 0.640 0.172) 7.555 7.807 ( 1.999 -0.359 -0.380) 2.066 7.951 ( 10.166 0.329 3.366) 10.714 8.109 ( -1.573 -0.204 -0.564) 1.684 8.429 ( -5.719 0.408 -3.538) 6.737 8.902 ( 0.462 -3.174 -1.652) 3.608 9.088 ( 1.643 3.122 1.623) 3.883 9.117 ( 1.010 0.960 -0.025) 1.394 9.364 ( -0.191 1.335 0.390) 1.404 9.450 ( 4.488 -3.568 5.559) 7.986 9.518 ( -3.380 1.269 1.175) 3.797 9.731 ( 0.848 1.856 -4.826) 5.239 9.869 ( -1.430 10.622 -3.831) 11.382 10.054 ( 0.678 -9.279 4.746) 10.445 10.264 ( 0.872 -3.331 3.349) 4.804 10.390 ( -1.354 3.335 -1.451) 3.881 10.620 ( 1.414 4.493 1.394) 4.912 10.986 ( -0.927 2.679 -0.527) 2.884 11.246 ( 4.491 -2.082 -1.832) 5.279 11.341 ( -0.887 0.636 -1.275) 1.678 11.570 ( 1.137 2.358 3.680) 4.516 11.649 ( 3.279 0.292 2.843) 4.350 11.866 ( -1.951 -6.807 4.612) 8.450 12.300 ( -0.331 -2.571 -0.835) 2.723 12.337 ( 1.327 2.538 1.533) 3.249 12.409 ( 0.866 -5.919 -4.005) 7.199 12.554 ( -5.972 4.091 -3.800) 8.176 12.698 ( 1.381 9.136 0.893) 9.282 12.773 ( -4.717 6.805 -0.574) 8.300 13.278 ( 1.903 -0.963 -0.568) 2.207 13.600 ( -2.228 -0.288 -1.976) 2.992 13.708 ( 3.085 -5.950 5.103) 8.424 13.914 ( -4.278 -5.417 0.449) 6.917 14.256 ( 9.940 7.409 5.376) 13.513 14.661 ( 0.540 -2.849 -2.197) 3.638 15.068 ( -0.485 -5.577 0.042) 5.598 15.314 ( -6.008 -3.839 -3.073) 7.764 15.466 ( -1.300 -2.243 -1.350) 2.923 15.633 ( -2.996 10.884 0.816) 11.318 15.953 ( -0.869 -9.539 -0.864) 9.617 16.151 ( 8.801 -3.955 2.545) 9.978 16.381 ( 0.823 2.847 2.717) 4.021 16.924 ( -11.400 3.729 -6.957) 13.867 17.094 ( -1.260 -5.043 -1.221) 5.340 17.280 ( -2.120 0.443 1.463) 2.614 17.407 ( 2.900 -0.998 3.242) 4.462 17.432 ( 0.847 -0.493 -5.197) 5.288 20.008 ( 3.330 -8.147 -1.282) 8.894 20.380 ( -3.803 6.248 4.249) 8.459 20.406 ( 2.303 -4.070 -7.048) 8.459 20.725 ( 0.443 10.268 1.338) 10.365 22.353 ( -0.462 -12.281 3.838) 12.875 22.775 ( -1.012 0.197 -4.340) 4.460 22.833 ( -1.563 -3.787 2.400) 4.748 23.227 ( 0.047 10.242 -0.197) 10.244 27.653 ( 2.142 -22.031 0.699) 22.146 28.259 ( -16.448 -14.599 -9.710) 24.041 28.590 ( -1.563 22.374 -1.436) 22.475 28.785 ( 6.703 15.636 2.841) 17.248 30.889 ( -0.755 -4.572 -0.961) 4.733 30.982 ( -1.172 -2.569 -1.756) 3.325 31.120 ( -1.551 -8.204 -0.476) 8.363 31.359 ( 3.290 -1.011 2.040) 4.001 31.460 ( -0.531 3.558 -1.363) 3.847 31.561 ( 1.245 8.548 0.999) 8.695 31.905 ( 1.051 -1.878 3.776) 4.346 32.600 ( 3.636 -2.316 5.159) 6.723 33.043 ( 10.649 1.952 2.858) 11.198 33.207 ( 1.288 -9.977 0.276) 10.064 33.369 ( 0.094 2.867 -2.171) 3.597 33.763 ( -2.867 9.740 1.116) 10.214 35.353 ( 0.614 -0.747 -0.073) 0.970 35.477 ( -0.593 -1.417 0.461) 1.604 35.584 ( 0.619 -1.071 -0.809) 1.478 36.081 ( 3.095 -0.728 -4.131) 5.213 36.173 ( -2.901 0.477 4.907) 5.720 36.259 ( -2.964 2.660 -2.137) 4.519 37.376 ( -7.163 -14.182 -5.227) 16.726 38.080 ( 4.949 13.258 5.082) 15.036 ======================= Grid point 4 (5/114) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 0.000 -0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.276 ( 0.000 -0.000 -0.000) 0.000 2.559 ( -0.000 0.000 0.000) 0.000 2.636 ( 0.000 -0.000 0.000) 0.000 2.947 ( -0.000 -0.000 0.000) 0.000 3.034 ( 0.000 -0.000 -0.000) 0.000 3.365 ( 0.000 -0.000 -0.000) 0.000 3.439 ( -0.000 0.000 -0.000) 0.000 3.455 ( 0.000 -0.000 -0.000) 0.000 3.640 ( 0.000 -0.000 -0.000) 0.000 3.737 ( -0.000 0.000 -0.000) 0.000 3.750 ( 0.000 -0.000 0.000) 0.000 3.917 ( 0.000 -0.000 0.000) 0.000 3.996 ( 0.000 -0.000 0.000) 0.000 4.264 ( 0.000 -0.000 0.000) 0.000 4.420 ( -0.000 -0.000 0.000) 0.000 4.779 ( -0.000 -0.000 0.000) 0.000 4.808 ( 0.000 -0.000 0.000) 0.000 5.114 ( 0.000 -0.000 0.000) 0.000 5.138 ( -0.000 0.000 -0.000) 0.000 5.234 ( 0.000 -0.000 -0.000) 0.000 5.452 ( 0.000 -0.000 0.000) 0.000 5.553 ( 0.000 -0.000 0.000) 0.000 5.699 ( -0.000 -0.000 -0.000) 0.000 5.882 ( 0.000 -0.000 0.000) 0.000 6.003 ( 0.000 -0.000 0.000) 0.000 6.148 ( 0.000 -0.000 -0.000) 0.000 6.351 ( -0.000 -0.000 0.000) 0.000 6.484 ( 0.000 -0.000 -0.000) 0.000 7.828 ( 0.000 -0.000 0.000) 0.000 8.011 ( 0.000 -0.000 0.000) 0.000 8.101 ( -0.000 -0.000 0.000) 0.000 8.363 ( 0.000 -0.000 0.000) 0.000 8.975 ( -0.000 -0.000 0.000) 0.000 9.028 ( 0.000 -0.000 0.000) 0.000 9.119 ( 0.000 -0.000 0.000) 0.000 9.346 ( 0.000 -0.000 0.000) 0.000 9.514 ( -0.000 -0.000 -0.000) 0.000 9.522 ( 0.000 -0.000 0.000) 0.000 9.706 ( 0.000 -0.000 -0.000) 0.000 9.728 ( 0.000 -0.000 0.000) 0.000 10.229 ( 0.000 -0.000 0.000) 0.000 10.273 ( 0.000 0.000 -0.000) 0.000 10.307 ( -0.000 -0.000 -0.000) 0.000 10.598 ( 0.000 -0.000 0.000) 0.000 10.958 ( 0.000 -0.000 0.000) 0.000 11.287 ( 0.000 -0.000 -0.000) 0.000 11.329 ( -0.000 -0.000 0.000) 0.000 11.562 ( 0.000 -0.000 -0.000) 0.000 11.668 ( 0.000 -0.000 0.000) 0.000 11.945 ( 0.000 -0.000 0.000) 0.000 12.301 ( -0.000 -0.000 -0.000) 0.000 12.337 ( 0.000 -0.000 0.000) 0.000 12.403 ( 0.000 -0.000 -0.000) 0.000 12.600 ( 0.000 -0.000 0.000) 0.000 12.613 ( 0.000 -0.000 -0.000) 0.000 12.615 ( -0.000 0.000 0.000) 0.000 13.294 ( 0.000 -0.000 0.000) 0.000 13.584 ( 0.000 -0.000 0.000) 0.000 13.790 ( 0.000 -0.000 0.000) 0.000 13.984 ( 0.000 -0.000 0.000) 0.000 14.223 ( 0.000 -0.000 0.000) 0.000 14.671 ( 0.000 -0.000 0.000) 0.000 15.112 ( 0.000 -0.000 0.000) 0.000 15.376 ( 0.000 -0.000 -0.000) 0.000 15.431 ( 0.000 -0.000 0.000) 0.000 15.512 ( 0.000 -0.000 0.000) 0.000 16.066 ( 0.000 -0.000 0.000) 0.000 16.158 ( 0.000 -0.000 -0.000) 0.000 16.463 ( 0.000 -0.000 0.000) 0.000 16.777 ( -0.000 -0.000 -0.000) 0.000 17.144 ( 0.000 -0.000 0.000) 0.000 17.258 ( 0.000 -0.000 0.000) 0.000 17.425 ( 0.000 -0.000 0.000) 0.000 17.439 ( -0.000 -0.000 -0.000) 0.000 20.169 ( -0.000 0.000 0.000) 0.000 20.205 ( 0.000 -0.000 -0.000) 0.000 20.519 ( 0.000 -0.000 -0.000) 0.000 20.586 ( 0.000 0.000 0.000) 0.000 22.550 ( 0.000 -0.000 0.000) 0.000 22.619 ( 0.000 -0.000 0.000) 0.000 23.012 ( -0.000 -0.000 0.000) 0.000 23.052 ( 0.000 0.000 0.000) 0.000 28.030 ( 0.000 0.000 0.000) 0.000 28.173 ( 0.000 -0.000 0.000) 0.000 28.348 ( -0.000 -0.000 -0.000) 0.000 28.666 ( 0.000 -0.000 0.000) 0.000 30.944 ( 0.000 -0.000 0.000) 0.000 30.975 ( 0.000 0.000 0.000) 0.000 31.221 ( 0.000 -0.000 0.000) 0.000 31.329 ( 0.000 -0.000 0.000) 0.000 31.463 ( 0.000 -0.000 0.000) 0.000 31.478 ( -0.000 0.000 0.000) 0.000 31.938 ( 0.000 -0.000 0.000) 0.000 32.653 ( 0.000 -0.000 0.000) 0.000 33.079 ( -0.000 -0.000 -0.000) 0.000 33.266 ( 0.000 -0.000 -0.000) 0.000 33.414 ( 0.000 -0.000 0.000) 0.000 33.620 ( 0.000 -0.000 -0.000) 0.000 35.363 ( 0.000 -0.000 0.000) 0.000 35.489 ( 0.000 -0.000 0.000) 0.000 35.595 ( 0.000 -0.000 0.000) 0.000 36.094 ( 0.000 -0.000 0.000) 0.000 36.169 ( 0.000 -0.000 -0.000) 0.000 36.211 ( -0.000 -0.000 0.000) 0.000 37.480 ( 0.000 -0.000 0.000) 0.000 37.974 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/114) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 22.542 0.000 22.773) 32.043 0.627 ( 26.161 0.000 18.887) 32.267 1.169 ( 47.209 0.000 34.745) 58.617 2.290 ( 21.648 0.000 7.442) 22.891 2.324 ( -5.894 -0.000 6.774) 8.979 2.718 ( 0.812 0.000 2.476) 2.606 2.868 ( -0.621 -0.000 0.367) 0.722 3.253 ( -4.048 -0.000 0.175) 4.052 3.523 ( 2.615 0.000 5.608) 6.187 3.547 ( -0.274 -0.000 -15.835) 15.838 3.631 ( 1.520 0.000 -0.876) 1.754 3.710 ( -6.029 -0.000 -5.950) 8.470 3.832 ( -2.748 -0.000 -4.907) 5.624 4.018 ( 1.812 0.000 -7.082) 7.310 4.337 ( -11.958 -0.000 3.948) 12.593 4.425 ( 4.329 0.000 -8.978) 9.967 4.440 ( -1.050 -0.000 -2.467) 2.681 4.833 ( -1.200 -0.000 0.260) 1.228 4.890 ( -1.967 -0.000 9.671) 9.869 4.976 ( 7.246 0.000 8.462) 11.140 5.230 ( -12.428 -0.000 -8.657) 15.146 5.287 ( -3.259 -0.000 -13.983) 14.358 5.304 ( 1.126 0.000 4.727) 4.859 5.504 ( -12.569 -0.000 4.797) 13.454 5.900 ( 0.827 0.000 5.747) 5.806 5.923 ( -0.976 -0.000 6.057) 6.136 5.965 ( 5.777 0.000 5.051) 7.674 6.294 ( 2.402 0.000 1.668) 2.925 6.518 ( -7.765 -0.000 -2.459) 8.145 6.528 ( -0.268 -0.000 1.044) 1.078 7.774 ( 13.062 0.000 2.668) 13.332 7.950 ( -6.359 -0.000 -10.862) 12.587 8.255 ( -2.248 -0.000 -3.054) 3.792 8.407 ( 7.562 0.000 -0.260) 7.566 8.968 ( -1.384 -0.000 1.711) 2.201 9.047 ( 1.694 0.000 10.518) 10.654 9.156 ( 4.714 0.000 1.257) 4.879 9.218 ( 1.818 0.000 1.818) 2.571 9.403 ( 3.718 0.000 4.578) 5.897 9.595 ( -11.447 -0.000 -0.209) 11.449 9.706 ( -5.059 -0.000 2.347) 5.577 9.976 ( 3.937 0.000 2.575) 4.704 10.165 ( 0.964 0.000 -15.276) 15.306 10.319 ( -0.672 -0.000 -5.184) 5.228 10.463 ( 6.067 0.000 1.123) 6.170 11.050 ( -4.453 -0.000 -1.017) 4.568 11.104 ( -10.171 -0.000 -2.247) 10.416 11.305 ( 0.852 0.000 2.715) 2.846 11.316 ( 1.472 0.000 -2.312) 2.741 11.596 ( -1.423 -0.000 1.052) 1.769 11.633 ( 3.505 0.000 -0.352) 3.523 11.912 ( -1.765 -0.000 25.317) 25.378 12.071 ( 4.764 0.000 -6.787) 8.292 12.526 ( 0.837 0.000 -0.524) 0.987 12.545 ( 2.901 0.000 -4.102) 5.024 12.558 ( 6.892 0.000 5.258) 8.669 12.944 ( -1.243 -0.000 -1.833) 2.215 13.157 ( -0.505 -0.000 3.511) 3.548 13.280 ( -0.554 -0.000 -7.642) 7.662 13.492 ( -2.090 -0.000 0.899) 2.275 13.663 ( -3.753 -0.000 -1.271) 3.963 13.665 ( -4.196 -0.000 -1.445) 4.437 14.608 ( -0.084 -0.000 -1.681) 1.683 14.611 ( -0.629 -0.000 -1.023) 1.201 14.783 ( -1.793 -0.000 0.582) 1.885 15.072 ( -4.767 -0.000 1.627) 5.037 15.127 ( 2.465 0.000 2.222) 3.318 15.244 ( 0.007 0.000 3.205) 3.205 16.027 ( -10.904 -0.000 -12.582) 16.649 16.307 ( 3.037 0.000 0.558) 3.088 16.639 ( 0.768 0.000 3.646) 3.726 16.681 ( -4.006 -0.000 2.015) 4.484 16.949 ( -1.224 -0.000 -1.148) 1.679 17.130 ( -3.122 -0.000 -0.784) 3.219 17.220 ( -0.853 -0.000 -0.120) 0.861 17.230 ( 5.581 0.000 4.849) 7.393 19.752 ( 6.507 0.000 0.522) 6.528 20.107 ( -0.899 -0.000 -3.983) 4.083 20.897 ( 1.084 0.000 0.179) 1.099 21.005 ( -0.039 -0.000 -0.003) 0.040 21.899 ( -6.604 -0.000 8.012) 10.383 22.301 ( 0.741 0.000 1.208) 1.417 23.192 ( 0.115 0.000 1.127) 1.133 23.515 ( -0.623 -0.000 -0.080) 0.628 26.955 ( 0.070 0.000 -0.138) 0.155 26.966 ( 0.005 0.000 -0.134) 0.134 29.397 ( 4.672 0.000 1.129) 4.807 29.442 ( 0.333 0.000 1.248) 1.292 30.624 ( -4.377 -0.000 -5.487) 7.018 30.844 ( -2.987 -0.000 -2.355) 3.804 30.886 ( -2.347 -0.000 -1.822) 2.971 31.431 ( -2.623 -0.000 -1.689) 3.120 31.585 ( -5.823 -0.000 -6.042) 8.391 31.934 ( 4.917 0.000 3.694) 6.150 31.985 ( -2.907 -0.000 4.793) 5.606 32.233 ( 1.429 0.000 7.818) 7.947 32.662 ( 0.495 0.000 2.143) 2.199 33.552 ( -2.095 -0.000 -1.950) 2.862 34.077 ( -1.626 -0.000 0.141) 1.632 34.815 ( 34.662 0.000 -47.400) 58.721 35.307 ( -0.179 -0.000 0.458) 0.492 35.414 ( 9.767 0.000 -14.263) 17.287 35.533 ( 0.887 0.000 -0.847) 1.226 36.072 ( -3.021 -0.000 -0.900) 3.152 36.124 ( -26.865 -0.000 34.411) 43.656 36.190 ( -10.472 -0.000 16.265) 19.344 36.429 ( -1.503 -0.000 -4.108) 4.374 38.479 ( 6.420 0.000 6.343) 9.025 ======================= Grid point 11 (7/114) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 21.318 -13.785 12.510) 28.301 1.191 ( 18.916 -22.997 11.742) 32.009 1.847 ( 35.232 -15.560 29.071) 48.255 2.327 ( -3.024 -1.138 6.804) 7.532 2.604 ( 17.827 -4.725 -1.252) 18.485 2.692 ( 0.484 -1.036 4.343) 4.491 2.793 ( 2.550 3.824 2.508) 5.236 3.126 ( 0.694 7.455 0.690) 7.519 3.479 ( -4.285 -3.541 -6.630) 8.652 3.559 ( -1.728 0.194 3.272) 3.705 3.645 ( -2.585 1.543 -1.418) 3.328 3.709 ( 1.265 -3.424 -0.586) 3.697 3.808 ( -0.839 -2.129 -5.936) 6.362 4.001 ( -1.956 -0.680 -3.590) 4.144 4.186 ( -13.133 5.298 1.493) 14.240 4.372 ( 0.936 -0.236 -5.635) 5.718 4.439 ( -5.700 -0.572 -8.903) 10.587 4.796 ( -4.372 2.959 -2.127) 5.691 4.946 ( -6.258 -0.079 -2.582) 6.770 5.065 ( -2.352 -0.706 -2.433) 3.457 5.171 ( -2.604 -4.788 -2.999) 6.221 5.236 ( 0.225 -7.976 -1.991) 8.224 5.351 ( -0.383 2.103 4.445) 4.932 5.507 ( 0.893 -6.830 9.593) 11.810 5.870 ( -0.503 5.683 3.815) 6.863 5.883 ( -3.075 4.822 2.208) 6.130 6.024 ( 5.741 2.103 3.463) 7.026 6.338 ( 2.055 -1.170 1.826) 2.987 6.420 ( -6.117 3.303 -0.613) 6.979 6.515 ( -3.733 1.340 -0.275) 3.976 7.817 ( -1.706 1.621 -2.452) 3.399 7.912 ( 7.170 -1.748 -0.480) 7.395 8.207 ( 3.138 3.558 -0.669) 4.791 8.439 ( 2.290 0.360 -2.434) 3.361 8.926 ( -2.470 3.406 0.940) 4.311 9.121 ( 1.691 -0.202 6.240) 6.468 9.180 ( 3.853 1.752 1.147) 4.385 9.291 ( 5.782 -2.337 2.665) 6.782 9.432 ( 0.821 2.164 5.032) 5.539 9.538 ( -8.956 -4.010 -0.295) 9.817 9.724 ( -2.662 -3.318 4.929) 6.511 9.934 ( -1.550 2.145 -12.955) 13.223 10.127 ( 7.886 1.721 7.165) 10.793 10.249 ( -0.408 4.035 -5.112) 6.525 10.487 ( 5.194 2.990 0.520) 6.015 10.912 ( -0.198 9.628 0.437) 9.640 11.026 ( -9.221 -0.458 -2.415) 9.543 11.292 ( 0.802 2.586 1.732) 3.214 11.316 ( 1.814 -0.864 -4.041) 4.513 11.622 ( 0.732 -2.904 5.053) 5.874 11.665 ( 2.769 0.417 -1.028) 2.983 11.912 ( 10.274 15.944 15.961) 24.789 12.018 ( -1.470 -4.569 -2.262) 5.306 12.453 ( 1.400 4.713 1.251) 5.073 12.533 ( 2.588 2.187 0.869) 3.498 12.668 ( -1.021 -0.727 -0.299) 1.288 12.888 ( -1.741 3.171 -2.516) 4.406 13.057 ( -5.686 10.110 0.092) 11.600 13.217 ( 4.731 -2.416 -1.969) 5.665 13.545 ( -3.413 -2.728 -0.499) 4.398 13.586 ( -1.507 -0.764 1.275) 2.116 13.693 ( -3.921 -4.238 -1.902) 6.079 14.569 ( 0.330 3.712 2.688) 4.595 14.593 ( 7.342 7.915 5.824) 12.266 14.746 ( -0.350 -11.844 -0.835) 11.878 15.087 ( -5.397 -5.752 -3.432) 8.602 15.329 ( -4.214 -6.523 -1.703) 7.950 15.427 ( -5.253 -16.746 -2.321) 17.704 15.871 ( -1.119 -0.188 -8.097) 8.176 16.241 ( 0.548 9.889 5.099) 11.140 16.604 ( -3.033 4.794 -0.813) 5.731 16.812 ( -12.606 -9.528 -7.210) 17.369 16.967 ( -0.320 -3.454 -1.395) 3.739 17.146 ( -3.453 -4.425 -2.023) 5.966 17.303 ( -1.820 -8.636 -0.810) 8.863 17.327 ( 5.681 -2.357 3.556) 7.104 19.835 ( 7.613 -2.189 0.215) 7.924 20.115 ( -1.276 -4.788 -5.061) 7.083 20.794 ( 1.342 9.802 -0.036) 9.893 21.004 ( 0.291 2.819 -0.062) 2.835 21.958 ( -3.879 -7.230 5.542) 9.901 22.397 ( 0.701 -8.442 1.247) 8.562 23.095 ( -0.017 8.576 0.712) 8.606 23.491 ( -1.246 3.253 -0.424) 3.509 27.043 ( 0.321 -10.077 0.020) 10.083 27.331 ( -13.846 -32.282 -9.918) 36.500 29.294 ( 1.848 14.690 1.108) 14.847 29.368 ( 3.794 10.229 2.512) 11.195 30.662 ( -4.732 -10.845 -5.796) 13.176 30.802 ( -3.775 -0.349 -2.169) 4.368 30.885 ( -3.233 -3.583 -2.471) 5.422 31.339 ( 2.728 3.586 0.686) 4.557 31.563 ( -6.817 -3.534 -6.819) 10.269 31.851 ( 0.459 7.823 5.795) 9.746 31.962 ( 3.925 7.598 1.192) 8.635 32.387 ( 1.116 -8.879 7.156) 11.459 32.779 ( 1.062 -9.682 2.426) 10.037 33.498 ( -2.827 2.419 -2.660) 4.574 33.953 ( 23.770 35.126 -1.633) 42.444 34.078 ( 12.030 24.206 7.174) 27.966 35.320 ( 0.708 -0.836 -0.512) 1.209 35.413 ( -0.397 -1.244 -0.343) 1.350 35.538 ( 1.161 -0.855 -1.769) 2.283 36.066 ( 4.383 -0.227 -8.015) 9.138 36.195 ( -5.066 0.509 8.776) 10.146 36.334 ( -7.408 -0.412 -1.546) 7.579 36.638 ( -17.855 -29.212 -3.947) 34.464 38.513 ( 7.514 7.199 7.600) 12.885 ======================= Grid point 12 (8/114) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 16.056 -18.751 5.135) 25.214 1.713 ( 9.067 -18.575 0.680) 20.681 2.326 ( 12.561 0.499 11.826) 17.259 2.434 ( 4.101 -8.627 10.645) 14.302 2.573 ( 8.258 1.960 -9.427) 12.685 2.880 ( 7.020 -1.774 -0.742) 7.279 3.013 ( 3.931 -14.628 9.630) 17.949 3.141 ( 3.838 -7.062 6.147) 10.119 3.468 ( -1.051 -0.101 1.746) 2.041 3.481 ( -6.753 4.376 -3.534) 8.788 3.652 ( -2.998 -4.488 4.870) 7.270 3.736 ( 0.569 3.013 5.028) 5.890 3.801 ( 2.256 1.513 -0.593) 2.780 3.959 ( -3.670 2.724 3.082) 5.512 4.023 ( -7.846 1.538 -4.747) 9.299 4.281 ( -7.308 2.878 -14.066) 16.110 4.388 ( 0.121 -1.801 -0.516) 1.877 4.705 ( -4.428 -0.321 -2.115) 4.917 4.848 ( -3.370 1.910 -4.408) 5.868 5.056 ( -2.676 -1.556 -0.768) 3.190 5.168 ( -3.603 -2.241 -2.755) 5.059 5.320 ( 0.737 0.960 -1.427) 1.871 5.427 ( 0.941 -4.120 0.946) 4.331 5.713 ( -1.000 -1.373 4.428) 4.742 5.752 ( -0.676 4.753 2.892) 5.604 5.802 ( 3.170 1.293 0.583) 3.473 6.039 ( 8.331 2.001 4.158) 9.524 6.276 ( -7.034 5.283 -0.990) 8.853 6.346 ( -2.123 3.163 -3.001) 4.850 6.464 ( -3.514 -0.523 3.065) 4.692 7.803 ( 0.610 -1.186 -0.272) 1.361 7.967 ( 0.482 -0.477 -0.773) 1.028 8.200 ( 10.566 3.321 1.538) 11.182 8.387 ( -5.071 1.976 -4.736) 7.215 8.867 ( -0.819 0.089 -0.151) 0.838 9.120 ( -1.330 1.184 -2.799) 3.317 9.166 ( 1.863 2.152 2.184) 3.588 9.363 ( -0.588 -1.045 -1.163) 1.671 9.444 ( -0.371 1.896 3.499) 3.996 9.549 ( -0.837 -2.602 4.710) 5.445 9.770 ( 3.323 2.401 -4.084) 5.786 9.933 ( 0.241 -7.435 5.993) 9.553 10.090 ( 3.962 11.701 0.160) 12.355 10.206 ( -1.149 -1.884 2.239) 3.144 10.444 ( 0.568 3.956 -1.227) 4.181 10.770 ( 3.789 7.982 2.740) 9.251 10.975 ( -4.011 -0.611 -1.861) 4.463 11.298 ( 1.151 -1.589 0.782) 2.112 11.317 ( 6.397 1.721 -3.462) 7.474 11.638 ( 2.481 3.658 -0.813) 4.495 11.729 ( -5.640 -4.764 5.066) 8.954 11.839 ( 9.947 6.762 11.709) 16.786 12.133 ( -0.681 -8.827 -0.712) 8.882 12.382 ( 0.062 3.401 -1.590) 3.755 12.477 ( 0.318 6.390 -0.327) 6.406 12.569 ( -5.943 5.007 -3.566) 8.550 12.795 ( -6.460 3.901 -1.476) 7.690 12.870 ( 1.143 6.615 -0.487) 6.731 13.281 ( 3.708 -1.304 -1.218) 4.115 13.549 ( -3.693 -1.259 -1.462) 4.167 13.679 ( 3.674 -5.801 6.905) 9.738 13.731 ( -6.672 -5.898 -2.976) 9.389 14.536 ( 9.235 9.583 6.386) 14.761 14.574 ( -2.468 -2.961 -4.236) 5.727 14.930 ( -2.336 -9.272 0.110) 9.563 15.172 ( -3.209 -6.749 -1.909) 7.713 15.364 ( -4.764 -5.979 -1.812) 7.857 15.588 ( -8.987 -10.116 -4.059) 14.127 15.922 ( 6.167 1.354 -0.351) 6.324 16.159 ( 6.815 -0.874 5.069) 8.538 16.464 ( -3.668 6.399 0.425) 7.388 16.777 ( -13.353 -3.378 -7.928) 15.892 17.023 ( 1.984 -3.119 -0.818) 3.786 17.195 ( -4.735 -5.240 -1.229) 7.169 17.392 ( 1.611 -2.503 -3.707) 4.754 17.424 ( 2.173 -2.489 3.651) 4.924 19.937 ( 6.234 -3.352 -0.550) 7.100 20.197 ( -1.526 -8.539 -4.903) 9.964 20.608 ( 0.904 11.836 0.454) 11.879 20.901 ( 0.295 8.266 0.395) 8.281 22.144 ( -2.223 -12.362 4.177) 13.236 22.590 ( 0.337 -11.346 0.397) 11.358 22.936 ( -0.640 8.870 0.288) 8.897 23.384 ( -0.343 7.407 0.021) 7.415 27.308 ( 1.584 -18.266 0.469) 18.341 27.675 ( -14.202 -25.470 -10.232) 30.905 28.961 ( -1.840 21.233 -1.614) 21.374 29.196 ( 8.824 16.318 5.998) 19.496 30.789 ( -3.012 -3.767 -2.578) 5.469 30.820 ( -3.990 -10.735 -3.020) 11.844 30.944 ( -3.800 -7.981 -2.118) 9.089 31.362 ( 3.415 -1.802 -0.013) 3.862 31.507 ( -3.199 1.481 -4.258) 5.528 31.741 ( -0.804 7.639 1.324) 7.795 31.865 ( -0.455 4.393 2.331) 4.994 32.593 ( 2.494 -7.740 6.504) 10.413 33.004 ( 1.618 -11.931 2.153) 12.231 33.390 ( -2.010 6.289 -2.480) 7.053 33.555 ( 25.248 26.942 4.568) 37.205 33.913 ( -3.197 9.010 2.840) 9.973 35.340 ( 0.631 -1.080 -0.648) 1.409 35.440 ( -1.085 -2.108 0.683) 2.467 35.558 ( 0.885 -1.498 -1.687) 2.424 36.067 ( 4.022 -0.728 -5.582) 6.919 36.192 ( -4.032 0.813 6.880) 8.016 36.261 ( -4.000 1.723 -2.051) 4.814 36.933 ( -11.772 -21.949 -6.827) 25.826 38.420 ( 6.995 13.849 7.126) 17.074 ======================= Grid point 13 (9/114) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 6.379 -16.258 -2.768) 17.683 2.037 ( 1.594 -13.649 0.348) 13.747 2.424 ( 0.935 0.642 -1.394) 1.797 2.526 ( 2.352 4.781 5.742) 7.833 2.621 ( 2.252 -1.105 -0.005) 2.508 2.834 ( 6.705 0.315 -6.280) 9.191 3.226 ( -5.791 -5.798 0.976) 8.253 3.282 ( -4.431 7.921 5.528) 10.627 3.356 ( 0.671 -3.933 3.068) 5.033 3.553 ( 4.009 -0.310 -4.733) 6.211 3.702 ( -0.165 -0.610 3.154) 3.217 3.750 ( -2.027 0.883 4.867) 5.346 3.824 ( 3.813 -0.462 4.662) 6.040 3.877 ( -2.670 2.663 7.339) 8.251 3.972 ( 1.149 -1.349 -3.549) 3.967 4.195 ( -0.245 -4.519 -3.478) 5.708 4.418 ( -2.973 -1.187 2.620) 4.137 4.737 ( 1.193 -5.196 -3.084) 6.159 4.798 ( 1.454 0.778 -1.109) 1.987 5.087 ( -2.578 -4.046 2.908) 5.610 5.183 ( -1.314 -2.077 -0.554) 2.519 5.200 ( -3.824 8.149 -10.969) 14.189 5.432 ( 1.549 -0.244 0.172) 1.577 5.574 ( -2.205 6.160 -0.531) 6.564 5.758 ( 0.868 3.311 -1.397) 3.697 5.867 ( 3.174 -2.806 2.611) 4.976 6.084 ( 2.017 5.532 0.164) 5.890 6.141 ( -5.627 3.145 0.762) 6.491 6.311 ( 2.291 -6.186 2.226) 6.962 6.487 ( -0.239 -0.374 2.760) 2.795 7.826 ( 0.435 -0.540 -1.006) 1.222 7.917 ( -8.214 1.297 -2.867) 8.796 8.198 ( 0.877 3.670 -3.197) 4.946 8.363 ( 8.144 -2.515 2.698) 8.940 8.913 ( 0.522 -4.068 0.728) 4.165 9.051 ( -3.041 2.051 -5.068) 6.257 9.155 ( 1.715 2.444 2.570) 3.940 9.357 ( 0.244 1.078 -0.638) 1.276 9.413 ( -4.133 -2.947 -0.762) 5.133 9.567 ( -0.364 3.073 -2.503) 3.980 9.775 ( 6.256 1.440 6.560) 9.179 9.891 ( 2.223 11.030 3.873) 11.900 10.138 ( -1.701 -8.134 2.247) 8.608 10.215 ( -3.882 -2.047 -0.565) 4.425 10.351 ( 1.281 5.570 -0.891) 5.785 10.706 ( 4.980 6.014 2.471) 8.190 10.949 ( -1.852 0.233 -0.690) 1.990 11.308 ( 2.176 0.075 -2.885) 3.614 11.358 ( 5.510 0.724 1.666) 5.802 11.581 ( 1.581 3.703 -0.914) 4.129 11.717 ( -3.322 2.135 3.731) 5.433 11.946 ( 3.715 -1.705 7.995) 8.979 12.262 ( -4.520 -4.698 -2.864) 7.120 12.333 ( -0.868 1.534 -3.123) 3.586 12.360 ( 0.004 -0.136 -0.884) 0.895 12.472 ( 0.282 -2.014 -3.153) 3.752 12.650 ( -4.373 4.863 1.154) 6.641 12.803 ( 2.766 6.398 1.855) 7.213 13.297 ( 2.174 0.375 -1.656) 2.759 13.553 ( -2.269 -2.330 0.600) 3.307 13.761 ( -7.552 -6.215 -4.806) 10.898 13.840 ( 1.469 -3.553 4.369) 5.820 14.418 ( 5.390 12.380 1.298) 13.565 14.591 ( -3.346 -5.467 -4.523) 7.845 15.060 ( -0.757 -6.101 1.861) 6.424 15.248 ( -1.161 -6.581 -0.721) 6.721 15.445 ( -2.417 -2.094 0.770) 3.289 15.593 ( -1.805 1.342 -0.567) 2.320 15.948 ( 3.274 -3.615 -0.122) 4.879 16.262 ( 3.051 3.911 0.333) 4.971 16.430 ( -1.458 -3.335 1.701) 4.018 16.693 ( -6.620 -4.597 -3.747) 8.888 17.098 ( 2.057 -3.730 -0.718) 4.320 17.235 ( -4.436 -3.239 0.564) 5.522 17.395 ( 2.148 0.956 -3.919) 4.570 17.479 ( 0.922 -0.364 2.779) 2.950 20.050 ( 3.579 -5.874 -1.189) 6.981 20.333 ( -1.936 -9.880 -2.248) 10.315 20.399 ( 0.739 11.775 -0.439) 11.806 20.748 ( 0.295 9.261 1.452) 9.379 22.386 ( -0.375 -13.163 3.150) 13.540 22.732 ( 1.182 4.394 -2.596) 5.239 22.836 ( -1.798 -6.734 1.887) 7.221 23.229 ( 0.205 9.979 0.130) 9.982 27.701 ( 2.532 -22.778 1.020) 22.941 27.938 ( -10.656 -21.112 -7.747) 24.885 28.525 ( -2.900 23.646 -2.256) 23.929 29.019 ( 11.758 16.407 8.440) 21.878 30.837 ( -2.918 -5.670 -1.585) 6.570 30.931 ( -2.209 -5.985 -2.608) 6.892 31.087 ( -2.335 -10.274 0.041) 10.536 31.387 ( 0.613 2.275 -1.388) 2.735 31.464 ( 1.777 -0.266 -0.131) 1.802 31.592 ( 0.664 8.766 0.729) 8.821 31.808 ( -8.859 -1.562 -3.627) 9.699 32.751 ( 4.481 -1.809 6.345) 7.975 33.171 ( -0.349 3.374 2.397) 4.153 33.277 ( 5.647 -1.007 -1.497) 5.928 33.399 ( 9.051 6.883 -0.109) 11.372 33.722 ( -4.532 9.979 1.650) 11.084 35.356 ( 0.107 -0.662 -0.493) 0.832 35.472 ( -0.584 -1.674 0.369) 1.811 35.581 ( 0.206 -1.234 -0.970) 1.583 36.086 ( 2.375 -0.832 -2.850) 3.802 36.181 ( -2.646 0.991 4.049) 4.937 36.211 ( -0.472 0.351 -0.671) 0.892 37.192 ( -7.442 -19.471 -5.860) 21.653 38.226 ( 5.308 16.405 5.337) 18.050 ======================= Grid point 14 (10/114) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -15.534 11.879 -7.958) 21.112 2.061 ( -4.166 13.532 -3.930) 14.694 2.421 ( 3.601 5.488 4.659) 8.049 2.517 ( -1.472 -2.021 0.133) 2.504 2.646 ( -0.861 -14.009 0.562) 14.046 2.962 ( 4.267 4.046 -1.192) 6.000 3.079 ( 3.456 4.748 0.133) 5.874 3.277 ( -7.771 0.601 -4.340) 8.921 3.426 ( -1.516 -2.605 -2.135) 3.693 3.493 ( 2.317 0.568 7.554) 7.922 3.616 ( -4.978 12.124 3.125) 13.473 3.683 ( 1.341 1.769 -1.096) 2.475 3.854 ( 6.361 3.262 -0.341) 7.157 3.945 ( 6.190 0.078 -4.810) 7.839 4.041 ( 0.706 -5.153 4.865) 7.122 4.328 ( -5.309 -4.708 0.521) 7.115 4.396 ( 2.959 -2.145 3.800) 5.273 4.760 ( 2.817 0.931 -0.690) 3.046 4.871 ( 2.705 -2.227 -0.396) 3.526 4.973 ( -0.303 1.167 -7.917) 8.008 5.164 ( -2.421 -3.735 -0.560) 4.486 5.319 ( 0.185 -11.963 4.662) 12.840 5.455 ( 2.781 0.100 -0.102) 2.784 5.508 ( -0.865 0.232 -2.737) 2.880 5.685 ( -4.202 1.535 -1.964) 4.886 5.868 ( -1.274 4.979 5.648) 7.636 5.963 ( -0.144 5.695 -3.602) 6.740 6.152 ( -0.029 -5.503 0.684) 5.546 6.463 ( 0.995 1.298 4.675) 4.953 6.526 ( 7.377 -4.536 2.201) 8.935 7.790 ( -7.119 1.251 -0.588) 7.252 7.843 ( -2.301 -1.341 -2.525) 3.670 8.119 ( -4.234 0.645 -4.484) 6.201 8.513 ( 11.187 -0.092 4.253) 11.969 8.959 ( -2.223 2.737 -1.081) 3.688 9.005 ( -0.356 -5.039 0.661) 5.095 9.123 ( 2.032 3.287 0.533) 3.901 9.337 ( -1.695 -0.183 -0.308) 1.732 9.430 ( -2.244 2.458 -4.144) 5.315 9.508 ( -2.126 -3.656 -1.022) 4.351 9.795 ( 5.415 5.308 4.368) 8.751 9.834 ( 2.769 0.138 8.435) 8.879 10.141 ( -5.101 -0.594 -7.412) 9.017 10.229 ( -2.057 2.138 1.106) 3.166 10.344 ( 1.484 -3.446 0.807) 3.838 10.628 ( 2.201 5.580 -1.069) 6.093 10.938 ( -1.489 -1.224 -0.601) 2.019 11.297 ( 0.824 2.366 0.325) 2.527 11.366 ( 2.944 1.883 1.504) 3.804 11.527 ( 0.069 1.939 -2.027) 2.806 11.674 ( -1.372 2.473 1.935) 3.427 11.953 ( -0.535 4.525 -1.063) 4.679 12.253 ( -2.787 -3.740 -1.248) 4.828 12.278 ( -2.300 -0.177 -1.996) 3.050 12.489 ( 5.323 -7.880 -0.979) 9.559 12.592 ( -1.323 -2.602 4.711) 5.542 12.630 ( 1.845 -3.030 0.182) 3.553 12.669 ( 2.778 6.097 1.989) 6.989 13.297 ( 1.069 1.006 -0.511) 1.555 13.595 ( -0.587 -2.725 2.038) 3.453 13.786 ( -0.484 0.608 -2.116) 2.254 13.826 ( -8.895 -2.706 -6.956) 11.612 14.245 ( 1.393 9.567 0.708) 9.693 14.655 ( -2.022 -3.579 -0.713) 4.172 15.134 ( 0.781 -0.120 1.509) 1.704 15.370 ( -0.951 -2.415 2.554) 3.642 15.433 ( 2.271 -6.889 -3.604) 8.099 15.579 ( 3.712 3.296 3.948) 6.342 16.038 ( -0.717 -1.992 -1.557) 2.628 16.182 ( 1.061 5.908 1.186) 6.118 16.330 ( -8.621 2.981 -4.816) 10.315 16.892 ( 6.747 -11.287 4.643) 13.945 17.166 ( 2.076 -2.138 -1.179) 3.205 17.246 ( -2.377 -0.420 2.153) 3.234 17.359 ( -0.964 0.820 -4.281) 4.464 17.488 ( 0.526 1.372 2.608) 2.993 20.173 ( -0.345 6.673 1.095) 6.771 20.203 ( 0.542 -4.033 -1.091) 4.213 20.506 ( 0.147 -10.096 -1.718) 10.242 20.602 ( -0.035 7.731 1.895) 7.960 22.546 ( 0.263 9.957 -0.696) 9.985 22.644 ( 1.452 -10.779 1.267) 10.950 23.014 ( 0.516 -1.615 -0.189) 1.706 23.044 ( -1.071 2.016 0.164) 2.289 28.027 ( -0.598 15.670 0.716) 15.698 28.175 ( -0.371 -14.434 -2.401) 14.637 28.206 ( -5.149 -20.384 -3.689) 21.345 28.903 ( 12.852 12.758 10.074) 20.723 30.899 ( -3.706 -3.174 -1.125) 5.008 30.986 ( 1.032 -2.598 -0.570) 2.853 31.220 ( -0.025 -2.433 0.382) 2.463 31.326 ( 0.093 2.196 0.796) 2.338 31.468 ( -0.884 4.555 0.128) 4.642 31.492 ( 1.872 -0.594 -0.422) 2.009 31.744 ( -11.993 -4.903 -8.562) 15.530 32.747 ( 4.910 9.899 4.127) 11.796 33.054 ( -1.877 6.128 -0.466) 6.426 33.301 ( 3.997 0.384 -0.880) 4.111 33.418 ( -0.722 6.539 1.466) 6.740 33.609 ( -0.823 -6.166 -0.514) 6.241 35.358 ( -0.361 0.159 -0.262) 0.473 35.489 ( 0.042 -0.241 -0.096) 0.262 35.591 ( -0.339 -0.225 -0.115) 0.423 36.088 ( -1.000 0.255 0.740) 1.270 36.169 ( 0.666 0.450 -0.899) 1.206 36.241 ( 1.781 -2.436 1.496) 3.368 37.430 ( -2.779 -13.023 -2.794) 13.606 38.017 ( 2.411 11.015 2.260) 11.500 ======================= Grid point 15 (11/114) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -13.878 22.146 -5.432) 26.693 1.630 ( -8.008 23.040 -6.275) 25.187 2.290 ( -2.320 5.918 1.075) 6.447 2.595 ( 7.190 11.322 11.299) 17.537 2.748 ( -3.280 4.183 2.269) 5.779 2.818 ( 8.322 8.044 5.299) 12.729 2.903 ( -8.463 17.425 -15.417) 24.757 3.158 ( -10.147 8.713 -6.568) 14.900 3.263 ( -0.418 -0.335 -2.394) 2.453 3.524 ( -2.184 2.219 0.132) 3.117 3.623 ( 5.161 -9.211 3.883) 11.250 3.709 ( 1.389 0.662 -4.537) 4.790 3.781 ( 1.803 -2.485 1.330) 3.346 3.999 ( 5.683 -1.129 0.526) 5.818 4.123 ( -2.298 -3.570 -1.317) 4.445 4.399 ( 2.761 -7.876 4.829) 9.642 4.583 ( 3.898 -5.968 4.797) 8.592 4.750 ( -1.121 1.812 -1.234) 2.462 4.900 ( 1.657 -3.265 -0.296) 3.673 5.068 ( 4.874 -9.550 1.435) 10.817 5.240 ( 0.106 -6.016 -1.207) 6.137 5.427 ( -5.890 4.897 -5.101) 9.203 5.456 ( 2.384 2.213 -0.396) 3.277 5.556 ( -1.418 -11.276 0.387) 11.372 5.662 ( -2.119 -2.611 0.580) 3.412 5.754 ( -1.758 10.223 2.156) 10.595 5.874 ( 1.851 2.916 0.417) 3.479 6.276 ( 1.734 -6.378 0.453) 6.625 6.414 ( -0.515 4.065 0.448) 4.122 6.664 ( 6.196 -1.601 2.467) 6.858 7.707 ( -7.221 0.837 -2.531) 7.697 7.893 ( 4.806 -2.610 4.104) 6.837 8.065 ( -5.984 -1.807 -4.346) 7.613 8.529 ( 3.011 4.951 2.018) 6.136 8.901 ( -1.179 2.740 -2.827) 4.110 9.045 ( -0.311 0.193 -1.694) 1.733 9.151 ( 4.329 -2.035 5.448) 7.250 9.303 ( -6.740 0.423 -2.847) 7.329 9.354 ( 0.231 1.116 -1.940) 2.250 9.557 ( 0.509 -2.414 0.108) 2.470 9.792 ( 2.508 1.560 2.171) 3.666 9.964 ( 1.809 -5.564 6.850) 9.009 10.061 ( 2.300 2.593 -2.274) 4.146 10.154 ( -3.839 4.265 -2.198) 6.145 10.359 ( -2.399 0.213 -3.976) 4.649 10.623 ( 0.664 -5.664 0.449) 5.720 10.973 ( -1.191 -4.490 -0.597) 4.683 11.249 ( 0.434 3.063 1.508) 3.441 11.386 ( 1.930 -1.080 1.331) 2.581 11.488 ( -0.664 1.086 -2.524) 2.827 11.629 ( -0.991 2.262 0.635) 2.550 11.836 ( 0.218 5.393 -3.023) 6.186 12.276 ( -2.310 -2.121 -0.731) 3.220 12.330 ( 1.847 -3.765 -0.611) 4.238 12.411 ( -1.952 13.042 1.629) 13.288 12.649 ( -0.518 -8.905 -1.531) 9.051 12.700 ( 3.717 -2.903 3.931) 6.140 12.866 ( 3.281 -10.413 0.926) 10.957 13.262 ( -0.457 2.418 0.359) 2.487 13.608 ( -0.639 4.850 -1.997) 5.283 13.681 ( 0.962 2.454 2.757) 3.814 13.876 ( -3.788 -8.991 -5.948) 11.427 14.100 ( -2.640 6.564 -0.957) 7.139 14.641 ( -1.519 2.307 -0.424) 2.795 15.050 ( -0.963 7.915 -0.855) 8.019 15.488 ( 6.570 -4.148 4.787) 9.126 15.525 ( 2.371 3.314 3.058) 5.095 15.652 ( 1.835 -10.458 -2.025) 10.809 15.885 ( -6.971 9.428 -3.834) 12.336 16.051 ( -1.031 8.665 0.417) 8.736 16.354 ( -0.343 -8.765 -0.828) 8.811 17.129 ( 4.517 -3.601 6.150) 8.438 17.167 ( 6.120 3.397 -0.451) 7.014 17.269 ( -1.799 -3.228 -0.503) 3.729 17.306 ( -3.560 0.327 -3.999) 5.365 17.484 ( 0.158 0.115 3.088) 3.094 19.983 ( -1.286 9.690 0.573) 9.791 20.377 ( 0.664 -10.910 -1.281) 11.005 20.452 ( 0.100 8.701 2.502) 9.054 20.708 ( -0.268 -11.160 -0.535) 11.176 22.322 ( 0.088 12.973 -1.900) 13.112 22.800 ( -0.406 12.993 0.164) 13.000 22.870 ( 2.317 -10.175 1.099) 10.494 23.232 ( 0.142 -11.133 0.291) 11.137 27.625 ( -0.778 21.567 -0.210) 21.582 28.470 ( 1.540 -17.044 -1.010) 17.143 28.604 ( 1.822 -21.978 0.388) 22.057 28.876 ( 8.113 5.610 9.015) 13.363 30.839 ( -5.060 5.125 -1.992) 7.472 31.031 ( 2.816 0.999 1.115) 3.190 31.141 ( 0.211 7.674 0.582) 7.699 31.244 ( -4.785 6.553 -4.263) 9.166 31.495 ( 1.150 -5.440 1.507) 5.761 31.545 ( -0.032 -6.577 -0.282) 6.583 31.726 ( -6.826 -5.363 -6.044) 10.578 32.578 ( 1.558 11.436 0.440) 11.550 32.897 ( -4.380 8.242 -1.271) 9.419 33.196 ( -0.226 12.721 -0.141) 12.723 33.392 ( 0.317 -5.113 0.901) 5.202 33.784 ( 0.972 -10.121 -0.438) 10.177 35.344 ( -0.386 0.816 -0.068) 0.905 35.479 ( 0.254 1.256 -0.226) 1.301 35.582 ( -0.356 0.848 0.308) 0.970 36.084 ( -1.477 -0.001 2.407) 2.824 36.163 ( 1.491 0.031 -2.599) 2.996 36.320 ( 1.646 -3.673 1.270) 4.221 37.496 ( 2.710 6.221 1.734) 7.004 37.988 ( -1.613 -8.235 -1.701) 8.562 ======================= Grid point 16 (12/114) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 0.000 25.188 -0.000) 25.188 1.099 ( 0.000 29.344 -0.000) 29.344 2.006 ( 0.000 50.067 -0.000) 50.067 2.220 ( 0.000 3.765 -0.000) 3.765 2.608 ( 0.000 3.044 -0.000) 3.044 2.685 ( 0.000 2.991 -0.000) 2.991 2.768 ( 0.000 19.380 -0.000) 19.380 2.923 ( -0.000 -11.180 0.000) 11.180 3.450 ( -0.000 -8.860 0.000) 8.860 3.480 ( -0.000 -1.494 0.000) 1.494 3.634 ( 0.000 2.620 -0.000) 2.620 3.844 ( -0.000 -6.833 0.000) 6.833 3.880 ( -0.000 -4.333 0.000) 4.333 4.027 ( 0.000 0.306 -0.000) 0.306 4.203 ( -0.000 -7.199 0.000) 7.199 4.572 ( 0.000 7.431 -0.000) 7.431 4.588 ( -0.000 -7.623 0.000) 7.623 4.798 ( -0.000 -6.674 0.000) 6.674 5.002 ( -0.000 -6.043 0.000) 6.043 5.185 ( 0.000 13.616 -0.000) 13.616 5.327 ( -0.000 -3.442 0.000) 3.442 5.346 ( -0.000 -8.317 0.000) 8.317 5.409 ( -0.000 -0.838 0.000) 0.838 5.496 ( 0.000 16.132 -0.000) 16.132 5.716 ( -0.000 -7.189 0.000) 7.189 5.719 ( -0.000 -3.711 0.000) 3.711 5.878 ( -0.000 -1.456 0.000) 1.456 6.338 ( 0.000 3.931 -0.000) 3.931 6.391 ( -0.000 -5.443 0.000) 5.443 6.693 ( 0.000 1.718 -0.000) 1.718 7.646 ( 0.000 1.175 -0.000) 1.175 8.022 ( -0.000 -5.336 0.000) 5.336 8.044 ( -0.000 -1.905 0.000) 1.905 8.466 ( 0.000 3.824 -0.000) 3.824 8.819 ( 0.000 2.620 -0.000) 2.620 9.034 ( 0.000 0.325 -0.000) 0.325 9.196 ( 0.000 3.374 -0.000) 3.374 9.255 ( -0.000 -0.107 0.000) 0.107 9.332 ( 0.000 0.244 -0.000) 0.244 9.621 ( -0.000 -4.334 0.000) 4.334 9.794 ( 0.000 0.376 -0.000) 0.376 9.903 ( 0.000 8.561 -0.000) 8.561 10.028 ( 0.000 4.671 -0.000) 4.671 10.208 ( -0.000 -10.048 0.000) 10.048 10.344 ( -0.000 -1.247 0.000) 1.247 10.786 ( -0.000 -10.432 0.000) 10.432 11.078 ( -0.000 -7.665 0.000) 7.665 11.227 ( 0.000 0.334 -0.000) 0.334 11.431 ( -0.000 -1.477 0.000) 1.477 11.452 ( 0.000 1.009 -0.000) 1.009 11.597 ( 0.000 0.624 -0.000) 0.624 11.743 ( 0.000 4.893 -0.000) 4.893 12.175 ( 0.000 9.720 -0.000) 9.720 12.299 ( -0.000 -1.754 0.000) 1.754 12.431 ( -0.000 -4.791 0.000) 4.791 12.720 ( 0.000 3.228 -0.000) 3.228 12.797 ( -0.000 -8.217 0.000) 8.217 13.036 ( -0.000 -6.267 0.000) 6.267 13.230 ( 0.000 1.936 -0.000) 1.936 13.533 ( -0.000 -0.060 0.000) 0.060 13.654 ( 0.000 3.103 -0.000) 3.103 13.946 ( 0.000 7.696 -0.000) 7.696 14.023 ( -0.000 -9.533 0.000) 9.533 14.590 ( 0.000 1.814 -0.000) 1.814 14.892 ( 0.000 8.400 -0.000) 8.400 15.433 ( 0.000 8.743 -0.000) 8.743 15.448 ( 0.000 12.620 -0.000) 12.620 15.715 ( 0.000 7.740 -0.000) 7.740 15.861 ( -0.000 -12.264 0.000) 12.264 16.001 ( -0.000 -6.028 0.000) 6.028 16.520 ( -0.000 -9.168 0.000) 9.168 17.077 ( 0.000 5.771 -0.000) 5.771 17.202 ( 0.000 0.870 -0.000) 0.870 17.254 ( 0.000 1.583 -0.000) 1.583 17.284 ( 0.000 2.599 -0.000) 2.599 17.562 ( -0.000 -6.293 0.000) 6.293 19.832 ( 0.000 6.535 -0.000) 6.535 20.308 ( 0.000 8.029 -0.000) 8.029 20.578 ( -0.000 -11.450 0.000) 11.450 20.890 ( -0.000 -8.926 0.000) 8.926 22.087 ( 0.000 11.964 -0.000) 11.964 22.566 ( 0.000 12.451 -0.000) 12.451 23.046 ( -0.000 -7.549 0.000) 7.549 23.419 ( -0.000 -9.297 0.000) 9.297 27.278 ( 0.000 16.725 -0.000) 16.725 28.824 ( -0.000 -19.425 0.000) 19.425 28.849 ( 0.000 3.854 -0.000) 3.854 29.004 ( -0.000 -20.358 0.000) 20.358 30.629 ( 0.000 12.425 -0.000) 12.425 30.965 ( 0.000 8.435 -0.000) 8.435 31.012 ( 0.000 6.178 -0.000) 6.178 31.078 ( 0.000 6.606 -0.000) 6.606 31.626 ( -0.000 -8.444 0.000) 8.444 31.717 ( -0.000 -11.185 0.000) 11.185 31.735 ( -0.000 -0.123 0.000) 0.123 32.420 ( 0.000 5.730 -0.000) 5.730 32.699 ( 0.000 10.175 -0.000) 10.175 32.962 ( 0.000 12.892 -0.000) 12.892 33.490 ( -0.000 -4.812 0.000) 4.812 33.947 ( -0.000 -7.615 0.000) 7.615 35.326 ( 0.000 0.969 -0.000) 0.969 35.450 ( 0.000 1.840 -0.000) 1.840 35.562 ( 0.000 1.318 -0.000) 1.318 36.090 ( -0.000 -0.293 0.000) 0.293 36.164 ( -0.000 -0.336 0.000) 0.336 36.397 ( -0.000 -3.451 0.000) 3.451 37.352 ( 0.000 9.988 -0.000) 9.988 38.177 ( -0.000 -11.856 0.000) 11.856 ======================= Grid point 19 (13/114) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 22.529 0.000 22.701) 31.982 1.204 ( 22.987 0.000 14.932) 27.412 2.172 ( 37.125 0.000 25.781) 45.199 2.289 ( -9.896 -0.000 8.367) 12.959 2.725 ( 23.924 0.000 -2.636) 24.069 2.755 ( -2.680 -0.000 8.653) 9.059 2.885 ( 0.803 0.000 2.566) 2.688 3.160 ( -7.223 -0.000 -2.254) 7.566 3.315 ( 1.459 0.000 -19.677) 19.731 3.492 ( -5.480 -0.000 -7.247) 9.086 3.637 ( -1.612 -0.000 -4.957) 5.213 3.692 ( 5.126 0.000 6.104) 7.970 3.779 ( -0.686 -0.000 3.367) 3.436 3.957 ( -3.932 -0.000 -0.993) 4.055 4.143 ( -13.614 -0.000 -0.606) 13.627 4.284 ( -4.078 -0.000 -14.577) 15.137 4.379 ( -6.227 -0.000 -2.411) 6.677 4.788 ( -1.266 -0.000 -2.767) 3.043 4.949 ( -9.569 -0.000 -4.094) 10.408 4.986 ( -1.071 -0.000 3.686) 3.838 5.061 ( -3.188 -0.000 -6.437) 7.183 5.212 ( 9.259 0.000 6.786) 11.480 5.431 ( 3.453 0.000 10.884) 11.419 5.485 ( -0.243 -0.000 6.820) 6.824 5.899 ( -6.279 -0.000 -2.817) 6.881 5.920 ( -4.431 -0.000 4.616) 6.398 6.085 ( 2.958 0.000 2.088) 3.621 6.357 ( 2.338 0.000 1.736) 2.912 6.390 ( -4.628 -0.000 0.017) 4.628 6.546 ( 0.253 0.000 1.583) 1.603 7.793 ( -2.405 -0.000 -2.960) 3.814 7.944 ( 4.981 0.000 1.019) 5.085 8.283 ( 7.777 0.000 0.919) 7.831 8.430 ( -0.851 -0.000 -4.890) 4.963 8.955 ( -2.956 -0.000 1.575) 3.349 9.176 ( 1.604 0.000 4.724) 4.989 9.266 ( 6.103 0.000 2.276) 6.514 9.332 ( -19.065 -0.000 -7.211) 20.383 9.347 ( 8.434 0.000 7.613) 11.362 9.511 ( 2.867 0.000 3.164) 4.270 9.703 ( -1.212 -0.000 7.699) 7.794 9.876 ( 1.557 0.000 -8.739) 8.877 10.230 ( -0.954 -0.000 -6.948) 7.013 10.231 ( 5.678 0.000 3.375) 6.605 10.573 ( 6.631 0.000 0.142) 6.632 10.936 ( -8.183 -0.000 0.174) 8.185 11.022 ( 0.362 0.000 0.961) 1.027 11.264 ( -2.192 -0.000 -3.902) 4.476 11.346 ( 0.460 0.000 3.252) 3.285 11.619 ( 1.119 0.000 2.542) 2.777 11.714 ( 5.140 0.000 2.103) 5.554 11.944 ( -1.094 -0.000 -6.127) 6.223 12.283 ( 8.161 0.000 14.385) 16.539 12.489 ( -4.433 -0.000 -4.037) 5.996 12.522 ( -2.927 -0.000 0.312) 2.943 12.681 ( 2.596 0.000 0.633) 2.672 12.925 ( 1.199 0.000 -0.344) 1.248 13.137 ( -8.519 -0.000 2.627) 8.914 13.224 ( 5.829 0.000 -5.986) 8.355 13.439 ( -3.220 -0.000 -0.156) 3.224 13.563 ( -5.658 -0.000 -2.280) 6.101 13.644 ( 0.879 0.000 2.322) 2.483 14.574 ( -1.678 -0.000 -2.213) 2.777 14.578 ( -0.435 -0.000 -3.238) 3.267 14.747 ( -4.409 -0.000 -0.012) 4.409 15.032 ( -1.276 -0.000 -0.044) 1.276 15.062 ( -12.634 -0.000 -4.319) 13.352 15.271 ( -0.197 -0.000 1.691) 1.702 15.800 ( 1.571 0.000 -7.247) 7.415 16.372 ( 4.621 0.000 0.094) 4.622 16.646 ( -4.625 -0.000 3.661) 5.899 16.647 ( -3.697 -0.000 1.413) 3.958 16.925 ( 0.066 0.000 -1.707) 1.709 17.062 ( -3.378 -0.000 -1.497) 3.695 17.202 ( -1.222 -0.000 0.088) 1.225 17.376 ( 5.801 0.000 4.440) 7.305 19.891 ( 9.566 0.000 1.111) 9.630 20.032 ( -1.330 -0.000 -5.703) 5.856 20.922 ( 1.585 0.000 0.303) 1.614 21.005 ( 0.328 0.000 -0.398) 0.516 21.887 ( -3.476 -0.000 3.777) 5.133 22.332 ( 1.038 0.000 1.724) 2.012 23.208 ( -0.019 -0.000 1.390) 1.390 23.507 ( -0.362 -0.000 0.245) 0.437 26.954 ( 0.100 0.000 -0.193) 0.217 26.964 ( 0.023 0.000 -0.203) 0.204 29.460 ( 0.109 0.000 0.756) 0.763 29.511 ( 5.688 0.000 4.285) 7.122 30.456 ( -7.163 -0.000 -6.996) 10.013 30.751 ( -4.521 -0.000 -2.937) 5.391 30.806 ( -4.308 -0.000 -3.059) 5.284 31.382 ( -1.141 -0.000 -1.592) 1.959 31.419 ( -5.369 -0.000 -6.743) 8.619 31.995 ( -0.679 -0.000 1.828) 1.950 32.062 ( 5.487 0.000 3.667) 6.599 32.344 ( 2.309 0.000 5.753) 6.199 32.703 ( 0.632 0.000 3.458) 3.515 33.479 ( -3.327 -0.000 -3.196) 4.613 34.046 ( -2.326 -0.000 -0.018) 2.327 34.816 ( 14.498 0.000 -19.674) 24.439 35.306 ( -0.647 -0.000 0.338) 0.730 35.400 ( 3.648 0.000 -6.372) 7.342 35.540 ( 1.239 0.000 -0.931) 1.550 36.009 ( -3.263 -0.000 -0.685) 3.335 36.096 ( -9.656 -0.000 10.858) 14.530 36.211 ( -6.638 -0.000 10.705) 12.596 36.343 ( -2.216 -0.000 -5.549) 5.975 38.690 ( 8.769 0.000 8.549) 12.247 ======================= Grid point 20 (14/114) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 17.490 -4.487 11.169) 21.231 1.613 ( 16.575 -9.024 11.289) 21.991 2.305 ( -7.951 -4.552 7.323) 11.729 2.560 ( 13.546 -1.450 11.779) 18.010 2.676 ( 13.906 4.279 -0.096) 14.550 2.864 ( 3.548 -0.903 4.551) 5.841 2.913 ( 9.830 -3.408 -1.557) 10.520 3.183 ( 0.956 -1.526 4.671) 5.006 3.349 ( -0.702 -12.725 -8.119) 15.111 3.432 ( -8.032 0.315 -4.641) 9.282 3.579 ( -2.021 0.341 -2.657) 3.356 3.755 ( 0.520 -1.251 -0.406) 1.414 3.822 ( 2.106 -0.924 3.421) 4.122 3.917 ( -11.902 -0.087 7.521) 14.080 4.007 ( -1.727 1.846 -13.405) 13.641 4.190 ( -6.152 0.397 -5.183) 8.054 4.312 ( -7.644 -2.197 -2.773) 8.423 4.732 ( 0.658 4.439 -1.256) 4.660 4.833 ( -1.476 2.301 -2.438) 3.663 4.968 ( -3.937 -2.678 -3.297) 5.792 5.106 ( -2.365 -2.055 1.676) 3.553 5.327 ( 4.826 -1.484 1.193) 5.188 5.473 ( 5.621 2.029 7.503) 9.592 5.648 ( 2.402 -7.653 7.281) 10.833 5.808 ( -5.312 0.756 -3.590) 6.456 5.867 ( -3.011 4.584 5.471) 7.746 6.092 ( 0.620 0.434 -0.509) 0.913 6.306 ( -3.280 4.588 -2.658) 6.235 6.411 ( 1.072 0.097 4.480) 4.608 6.496 ( -0.952 5.147 0.694) 5.280 7.791 ( 1.969 -0.682 0.689) 2.195 7.983 ( 2.129 0.385 2.421) 3.246 8.326 ( 7.064 2.197 -1.830) 7.621 8.365 ( -2.978 1.953 -4.986) 6.127 8.879 ( -4.207 3.437 -0.281) 5.440 9.145 ( -5.316 2.756 -5.498) 8.129 9.167 ( -5.949 0.212 1.081) 6.050 9.342 ( 2.176 -1.096 0.495) 2.486 9.495 ( 5.227 -2.801 3.719) 6.999 9.514 ( 0.655 1.340 3.874) 4.151 9.791 ( 0.491 -3.074 5.901) 6.672 9.878 ( 4.501 -1.588 -0.437) 4.793 10.183 ( 2.856 1.310 -3.778) 4.914 10.287 ( 4.097 1.023 2.752) 5.040 10.543 ( 1.014 7.172 0.573) 7.266 10.908 ( -1.163 -1.430 0.659) 1.958 10.971 ( 1.998 6.572 2.939) 7.471 11.235 ( -2.182 -1.250 -3.170) 4.047 11.390 ( 3.974 -1.365 1.925) 4.622 11.644 ( -1.399 -0.269 3.475) 3.756 11.749 ( 4.566 2.137 3.054) 5.895 11.939 ( 0.507 -4.330 -6.413) 7.755 12.242 ( 7.444 11.983 9.892) 17.229 12.436 ( -2.569 3.786 1.953) 4.974 12.480 ( -9.427 0.196 -3.464) 10.045 12.629 ( 0.192 4.977 -2.509) 5.577 12.853 ( -1.219 6.645 -1.068) 6.840 12.972 ( -4.270 8.365 -3.341) 9.968 13.264 ( 4.073 -2.364 -1.736) 5.019 13.440 ( -6.549 -3.919 -0.893) 7.684 13.613 ( 0.931 -4.434 3.589) 5.780 13.673 ( 2.259 -1.871 0.761) 3.030 14.502 ( -5.537 1.835 -4.967) 7.661 14.693 ( -3.088 -12.209 -3.934) 13.193 14.759 ( 1.671 3.070 6.923) 7.755 14.939 ( -5.490 -12.055 -4.254) 13.913 15.214 ( -11.687 -10.504 -3.881) 16.186 15.282 ( -0.595 -4.684 -1.750) 5.035 15.896 ( 9.152 -7.848 -1.476) 12.146 16.323 ( 2.851 8.363 3.991) 9.695 16.555 ( -3.035 6.000 0.687) 6.758 16.613 ( -8.000 0.084 -2.857) 8.495 16.966 ( 0.645 -4.241 -1.296) 4.481 17.072 ( -2.530 -3.723 -1.607) 4.779 17.274 ( -1.278 -7.265 -0.308) 7.383 17.447 ( 4.210 -0.661 3.276) 5.375 19.968 ( 8.051 0.012 0.633) 8.075 20.035 ( -1.210 -4.920 -5.094) 7.185 20.815 ( 1.131 9.947 0.241) 10.014 21.009 ( 0.452 2.741 -0.172) 2.783 21.953 ( -2.527 -7.967 2.915) 8.852 22.424 ( 0.786 -7.688 1.301) 7.836 23.117 ( 0.521 9.323 1.497) 9.457 23.480 ( -0.155 3.401 0.303) 3.418 27.051 ( 0.578 -11.003 0.088) 11.019 27.151 ( -3.844 -18.567 -3.110) 19.214 29.285 ( -1.314 16.753 -1.354) 16.858 29.511 ( 6.653 8.110 5.427) 11.810 30.514 ( -5.827 -13.980 -4.303) 15.746 30.711 ( -3.874 -1.299 -2.549) 4.816 30.788 ( -4.755 -3.847 -3.232) 6.918 31.343 ( -0.322 -0.857 -3.172) 3.301 31.411 ( -3.412 -3.405 -3.738) 6.100 31.895 ( 0.187 8.872 2.117) 9.123 32.042 ( 3.182 8.389 2.271) 9.255 32.480 ( 1.747 -8.727 4.755) 10.090 32.829 ( 1.276 -9.793 2.882) 10.288 33.414 ( -3.339 2.343 -3.220) 5.197 33.977 ( -1.280 5.835 -0.985) 6.055 34.410 ( 14.640 34.746 -0.993) 37.717 35.317 ( -0.051 -1.223 -0.980) 1.568 35.402 ( -0.274 -1.301 -0.582) 1.451 35.537 ( 0.927 -0.350 -1.279) 1.617 36.054 ( 4.794 -1.091 -6.353) 8.033 36.212 ( -0.683 -0.552 0.745) 1.151 36.216 ( -10.887 -3.679 8.582) 14.343 36.406 ( -8.452 -19.257 -4.034) 21.413 38.723 ( 7.504 8.579 7.367) 13.571 ======================= Grid point 21 (15/114) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 7.250 -9.750 0.243) 12.152 1.872 ( 6.288 -9.024 2.416) 11.261 2.379 ( -5.304 -1.785 1.710) 5.851 2.628 ( 9.283 -2.028 -0.002) 9.502 2.776 ( 12.440 7.211 9.338) 17.145 2.929 ( 2.207 5.616 -4.315) 7.419 3.073 ( -6.577 -8.935 1.168) 11.156 3.162 ( -1.377 -5.548 0.519) 5.739 3.427 ( -0.196 -6.124 -0.392) 6.140 3.489 ( 1.261 2.056 2.150) 3.231 3.659 ( -0.455 -11.174 4.466) 12.042 3.740 ( -8.134 0.683 6.740) 10.585 3.808 ( -3.948 1.159 -4.339) 5.979 3.881 ( 6.809 -1.826 -9.508) 11.836 4.003 ( 3.700 -3.863 -3.808) 6.566 4.112 ( -9.491 0.626 6.851) 11.722 4.342 ( -2.656 -4.965 0.916) 5.705 4.698 ( 5.737 0.544 -1.113) 5.870 4.804 ( 1.242 0.122 -1.267) 1.779 4.988 ( -3.252 -3.302 -1.097) 4.763 5.110 ( -4.206 -1.965 0.655) 4.688 5.277 ( -0.431 6.650 -7.488) 10.024 5.511 ( 4.173 2.808 3.990) 6.420 5.684 ( -2.666 9.140 2.787) 9.920 5.786 ( 0.784 -6.428 0.545) 6.499 5.869 ( 3.784 1.748 0.863) 4.257 6.125 ( -6.756 5.545 -0.299) 8.746 6.198 ( 3.490 -7.968 2.381) 9.019 6.291 ( -1.201 11.102 -1.178) 11.229 6.495 ( 0.378 -1.160 3.663) 3.860 7.819 ( 2.390 0.226 0.144) 2.405 7.941 ( -3.529 5.741 0.369) 6.749 8.188 ( -7.664 4.054 -7.457) 11.436 8.429 ( 12.633 -2.794 2.943) 13.269 8.859 ( -1.279 -3.076 0.248) 3.340 9.029 ( -3.695 2.894 -5.439) 7.184 9.155 ( -4.617 -3.520 1.161) 5.920 9.363 ( 2.142 0.983 0.429) 2.395 9.441 ( 0.176 5.030 1.569) 5.272 9.584 ( 0.778 0.247 -1.188) 1.441 9.847 ( -1.880 -1.509 2.269) 3.310 9.961 ( 3.356 -2.157 2.365) 4.638 10.183 ( 5.438 2.823 0.222) 6.131 10.228 ( -0.307 9.227 3.779) 9.976 10.445 ( 0.925 2.797 1.049) 3.127 10.881 ( 4.313 7.404 3.728) 9.344 10.941 ( 0.072 -0.121 0.343) 0.371 11.248 ( -1.044 -3.475 -2.692) 4.518 11.461 ( 8.046 0.519 1.066) 8.133 11.633 ( -4.313 0.467 2.244) 4.884 11.738 ( 2.822 3.138 1.489) 4.475 12.043 ( 2.401 -5.241 1.694) 6.008 12.172 ( 5.282 6.538 5.707) 10.159 12.324 ( -8.775 2.266 -4.588) 10.158 12.359 ( -2.402 2.568 -0.783) 3.603 12.522 ( 1.250 6.211 -1.687) 6.556 12.706 ( -5.761 5.677 -0.920) 8.140 12.854 ( -0.731 -0.325 -3.189) 3.288 13.316 ( 2.697 -0.903 -2.272) 3.640 13.467 ( -6.127 -4.817 0.462) 7.807 13.586 ( -3.465 1.056 -3.444) 4.998 13.869 ( 8.538 -5.305 8.028) 12.864 14.405 ( -9.854 -3.904 -7.847) 13.187 14.684 ( 4.796 10.357 1.544) 11.518 14.895 ( -2.374 -12.451 1.202) 12.732 15.130 ( -1.621 -6.551 0.680) 6.783 15.291 ( -4.009 -12.331 -1.227) 13.024 15.424 ( -4.152 -11.371 -3.320) 12.552 16.048 ( 9.319 2.676 0.950) 9.742 16.314 ( 5.574 -3.711 3.748) 7.674 16.399 ( -6.252 5.786 0.627) 8.542 16.535 ( -7.602 -1.571 -4.944) 9.203 17.038 ( -0.042 -4.183 -1.495) 4.442 17.129 ( -1.131 -4.607 -0.210) 4.748 17.375 ( -0.051 -4.246 -1.188) 4.409 17.490 ( 1.677 0.046 1.925) 2.553 20.021 ( 4.614 -0.731 -0.286) 4.680 20.128 ( -0.923 -8.976 -3.430) 9.654 20.625 ( 0.535 12.076 0.418) 12.095 20.909 ( 0.176 7.844 0.341) 7.853 22.150 ( -1.261 -13.399 1.982) 13.603 22.602 ( 0.578 -10.543 0.454) 10.569 22.945 ( 0.148 10.472 0.981) 10.518 23.387 ( 0.197 7.182 0.353) 7.194 27.339 ( 1.368 -19.498 0.460) 19.551 27.453 ( -5.393 -21.101 -4.206) 22.181 28.906 ( -2.001 22.108 -1.888) 22.279 29.403 ( 7.635 13.028 5.836) 16.189 30.714 ( -3.151 -5.813 -1.004) 6.688 30.742 ( -1.685 -11.638 -2.161) 11.956 30.842 ( -5.257 -9.765 -2.917) 11.467 31.357 ( -1.677 -2.627 -3.358) 4.581 31.441 ( 0.266 -2.944 -1.274) 3.219 31.740 ( -0.616 9.162 0.732) 9.212 31.886 ( 0.194 10.897 1.502) 11.002 32.684 ( 1.718 -9.239 3.478) 10.020 33.056 ( 1.750 -11.807 2.317) 12.159 33.313 ( -2.777 4.175 -2.929) 5.807 33.809 ( 5.171 13.564 -2.696) 14.764 33.964 ( 4.887 24.803 5.552) 25.882 35.335 ( -0.015 -1.324 -0.924) 1.615 35.431 ( -0.783 -2.266 0.439) 2.438 35.552 ( 0.453 -1.340 -1.153) 1.825 36.074 ( 2.744 -0.832 -2.980) 4.135 36.202 ( -3.227 1.000 4.496) 5.624 36.208 ( -0.461 0.155 -0.382) 0.618 36.715 ( -7.544 -23.095 -4.723) 24.750 38.587 ( 4.919 15.396 4.892) 16.887 ======================= Grid point 22 (16/114) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -0.476 0.801 -2.747) 2.901 2.089 ( 0.400 -19.865 1.010) 19.895 2.311 ( -2.557 1.790 -3.274) 4.523 2.577 ( -2.725 13.330 -0.260) 13.608 2.681 ( 1.533 12.071 2.927) 12.515 2.893 ( 8.454 -10.522 -3.643) 13.980 3.143 ( -7.158 -5.164 1.274) 8.918 3.300 ( -0.055 6.637 3.953) 7.725 3.428 ( 4.118 0.547 -0.563) 4.192 3.532 ( -1.756 -3.459 1.554) 4.179 3.663 ( -2.621 2.828 -0.305) 3.868 3.798 ( 2.627 -1.810 3.539) 4.764 3.869 ( -1.925 -5.718 -0.192) 6.036 3.930 ( 10.416 -2.109 -7.239) 12.859 4.049 ( -3.573 2.095 10.416) 11.209 4.147 ( -5.996 -8.496 -1.579) 10.518 4.405 ( 1.371 -0.672 1.393) 2.067 4.763 ( 4.759 -2.625 -1.287) 5.586 4.827 ( -0.299 -2.087 -0.375) 2.141 4.996 ( -1.802 2.062 -4.056) 4.894 5.101 ( -0.894 1.059 -2.203) 2.602 5.147 ( -3.213 -5.008 -0.025) 5.950 5.508 ( 4.749 2.512 0.040) 5.373 5.537 ( -2.283 3.885 1.225) 4.670 5.760 ( 1.162 10.958 0.140) 11.020 5.920 ( 0.451 -2.814 1.117) 3.061 6.030 ( -1.502 -4.033 -2.094) 4.786 6.082 ( -3.082 8.636 0.243) 9.173 6.447 ( 4.264 -10.334 3.875) 11.832 6.516 ( 0.404 0.949 1.405) 1.743 7.781 ( -4.101 5.083 -1.657) 6.738 7.843 ( 2.468 0.018 2.340) 3.402 8.042 ( -7.349 1.320 -7.073) 10.285 8.610 ( 10.695 -2.076 3.719) 11.512 8.926 ( -0.277 -2.182 -0.469) 2.249 8.945 ( -3.324 -2.038 -1.688) 4.249 9.219 ( 2.399 -1.087 3.083) 4.054 9.343 ( -3.241 1.211 -1.384) 3.727 9.383 ( 2.731 0.973 0.738) 2.992 9.506 ( -2.809 5.500 -2.241) 6.570 9.858 ( -3.486 -3.897 -0.428) 5.246 9.990 ( 4.529 7.883 3.859) 9.877 10.062 ( -0.021 5.551 -0.934) 5.629 10.204 ( -2.239 -3.857 0.849) 4.540 10.412 ( 3.051 5.215 0.977) 6.121 10.778 ( 1.565 8.608 0.805) 8.786 10.926 ( -0.558 0.924 -0.112) 1.085 11.297 ( 0.207 -2.658 -1.013) 2.852 11.464 ( 4.318 4.920 1.216) 6.658 11.609 ( 0.276 2.343 1.401) 2.744 11.705 ( 0.465 2.942 0.234) 2.987 12.024 ( -3.773 4.764 2.044) 6.412 12.155 ( -1.231 -1.559 -1.479) 2.476 12.285 ( -0.220 2.817 -2.181) 3.569 12.389 ( 1.917 -9.967 0.476) 10.161 12.495 ( 4.704 -1.926 -0.017) 5.083 12.592 ( -5.460 0.635 0.719) 5.544 12.845 ( 0.971 3.673 0.229) 3.806 13.328 ( 3.963 1.180 0.351) 4.150 13.492 ( -9.159 -6.508 -2.621) 11.538 13.579 ( -1.282 -4.159 -2.692) 5.117 13.935 ( 3.170 6.305 2.484) 7.482 14.465 ( -2.822 -0.882 3.147) 4.318 14.502 ( 0.988 2.781 -5.160) 5.945 15.075 ( -0.232 -7.372 1.263) 7.483 15.240 ( -0.033 -7.880 0.190) 7.882 15.411 ( -1.215 -1.530 -0.483) 2.012 15.564 ( -1.086 -7.628 -0.363) 7.713 16.070 ( 9.467 2.245 3.289) 10.270 16.276 ( -7.058 2.461 -1.383) 7.602 16.293 ( -3.507 5.873 -3.150) 7.531 16.692 ( 2.199 -15.807 1.673) 16.047 17.097 ( -0.816 -3.689 -1.199) 3.964 17.202 ( -0.317 -3.758 0.464) 3.799 17.394 ( 0.888 1.963 -0.955) 2.357 17.505 ( -0.023 -0.386 0.907) 0.986 20.082 ( 1.521 -4.249 -0.485) 4.539 20.293 ( -0.510 -11.234 -1.210) 11.310 20.404 ( 0.106 12.868 0.135) 12.869 20.763 ( 0.095 8.594 0.637) 8.618 22.409 ( -0.002 -14.648 1.196) 14.697 22.745 ( 2.176 8.758 -0.769) 9.057 22.817 ( -2.106 -9.430 0.717) 9.689 23.234 ( 0.107 10.243 0.121) 10.245 27.735 ( 0.082 -22.490 -0.295) 22.492 27.779 ( -2.284 -21.815 -1.782) 22.006 28.470 ( -1.332 24.015 -1.076) 24.076 29.251 ( 6.246 12.864 4.586) 15.018 30.782 ( -1.889 -5.556 -0.774) 5.919 30.880 ( -0.920 -6.996 -1.299) 7.175 31.055 ( -1.431 -14.632 0.002) 14.702 31.366 ( -0.693 -1.217 -1.485) 2.041 31.489 ( 1.128 -1.664 -0.160) 2.017 31.567 ( -2.220 8.940 -1.291) 9.301 31.696 ( -1.816 9.317 -0.160) 9.493 32.846 ( 1.543 -4.469 2.223) 5.224 33.168 ( -1.035 6.058 0.658) 6.181 33.301 ( 1.082 -8.889 -0.838) 8.993 33.563 ( 9.527 16.024 -1.156) 18.678 33.663 ( -6.012 11.928 2.221) 13.541 35.349 ( -0.130 -0.691 -0.362) 0.791 35.468 ( -0.263 -1.877 0.129) 1.900 35.573 ( -0.004 -1.231 -0.425) 1.302 36.085 ( 0.375 -0.217 -0.811) 0.919 36.185 ( -0.490 1.047 0.958) 1.501 36.220 ( 0.562 -1.455 0.738) 1.725 37.052 ( -3.321 -21.659 -2.703) 22.078 38.332 ( 2.236 17.700 2.216) 17.978 ======================= Grid point 23 (17/114) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 0.000 16.326 -0.000) 16.326 2.004 ( 0.000 22.368 -0.000) 22.368 2.434 ( 0.000 9.998 -0.000) 9.998 2.580 ( -0.000 -5.130 0.000) 5.130 2.596 ( -0.000 -26.040 0.000) 26.040 3.041 ( 0.000 13.354 -0.000) 13.354 3.125 ( 0.000 10.746 -0.000) 10.746 3.129 ( -0.000 -5.366 0.000) 5.366 3.388 ( 0.000 1.409 -0.000) 1.409 3.551 ( 0.000 6.984 -0.000) 6.984 3.628 ( -0.000 -4.853 0.000) 4.853 3.717 ( 0.000 13.515 -0.000) 13.515 3.869 ( 0.000 5.360 -0.000) 5.360 4.022 ( -0.000 -1.241 0.000) 1.241 4.027 ( -0.000 -3.174 0.000) 3.174 4.269 ( -0.000 -8.687 0.000) 8.687 4.454 ( -0.000 -6.485 0.000) 6.485 4.811 ( 0.000 0.915 -0.000) 0.915 4.850 ( -0.000 -2.089 0.000) 2.089 4.950 ( -0.000 -2.723 0.000) 2.723 5.141 ( -0.000 -4.114 0.000) 4.114 5.308 ( -0.000 -12.682 0.000) 12.682 5.484 ( 0.000 3.837 -0.000) 3.837 5.508 ( 0.000 0.798 -0.000) 0.798 5.623 ( 0.000 1.042 -0.000) 1.042 5.919 ( 0.000 7.930 -0.000) 7.930 5.929 ( 0.000 1.880 -0.000) 1.880 6.157 ( -0.000 -7.690 0.000) 7.690 6.482 ( 0.000 3.176 -0.000) 3.176 6.628 ( -0.000 -6.212 0.000) 6.212 7.697 ( 0.000 2.011 -0.000) 2.011 7.903 ( -0.000 -2.299 0.000) 2.299 7.969 ( -0.000 -0.886 0.000) 0.886 8.637 ( 0.000 3.997 -0.000) 3.997 8.917 ( -0.000 -0.204 0.000) 0.204 9.025 ( -0.000 -3.039 0.000) 3.039 9.215 ( 0.000 3.125 -0.000) 3.125 9.261 ( 0.000 2.641 -0.000) 2.641 9.390 ( 0.000 3.712 -0.000) 3.712 9.480 ( -0.000 -6.703 0.000) 6.703 9.877 ( 0.000 5.632 -0.000) 5.632 9.965 ( -0.000 -7.005 0.000) 7.005 9.965 ( 0.000 2.542 -0.000) 2.542 10.294 ( 0.000 8.515 -0.000) 8.515 10.302 ( -0.000 -5.046 0.000) 5.046 10.633 ( 0.000 6.621 -0.000) 6.621 10.920 ( -0.000 -0.949 0.000) 0.949 11.306 ( 0.000 1.731 -0.000) 1.731 11.410 ( 0.000 2.560 -0.000) 2.560 11.537 ( 0.000 4.867 -0.000) 4.867 11.666 ( 0.000 1.834 -0.000) 1.834 11.921 ( 0.000 5.402 -0.000) 5.402 12.219 ( -0.000 -4.572 0.000) 4.572 12.253 ( -0.000 -1.516 0.000) 1.516 12.517 ( -0.000 -4.788 0.000) 4.788 12.609 ( 0.000 0.835 -0.000) 0.835 12.665 ( -0.000 -12.936 0.000) 12.936 12.715 ( 0.000 7.723 -0.000) 7.723 13.313 ( 0.000 2.490 -0.000) 2.490 13.623 ( -0.000 -11.948 0.000) 11.948 13.626 ( -0.000 -2.252 0.000) 2.252 13.802 ( 0.000 8.746 -0.000) 8.746 14.263 ( 0.000 11.352 -0.000) 11.352 14.623 ( -0.000 -4.461 0.000) 4.461 15.148 ( 0.000 1.251 -0.000) 1.251 15.407 ( -0.000 -2.958 0.000) 2.958 15.408 ( -0.000 -10.498 0.000) 10.498 15.645 ( -0.000 -0.849 0.000) 0.849 16.032 ( 0.000 10.469 -0.000) 10.469 16.199 ( 0.000 6.407 -0.000) 6.407 16.207 ( -0.000 -5.829 0.000) 5.829 16.995 ( -0.000 -14.947 0.000) 14.947 17.148 ( -0.000 -3.074 0.000) 3.074 17.257 ( -0.000 -2.175 0.000) 2.175 17.321 ( 0.000 5.527 -0.000) 5.527 17.507 ( 0.000 0.692 -0.000) 0.692 20.178 ( 0.000 12.203 -0.000) 12.203 20.200 ( -0.000 -8.476 0.000) 8.476 20.497 ( -0.000 -11.917 0.000) 11.917 20.614 ( 0.000 8.553 -0.000) 8.553 22.544 ( 0.000 12.234 -0.000) 12.234 22.667 ( -0.000 -13.361 0.000) 13.361 23.023 ( -0.000 -12.048 0.000) 12.048 23.030 ( 0.000 12.452 -0.000) 12.452 28.030 ( 0.000 23.969 -0.000) 23.969 28.104 ( -0.000 -20.640 0.000) 20.640 28.192 ( -0.000 -24.030 0.000) 24.030 29.091 ( 0.000 9.884 -0.000) 9.884 30.849 ( -0.000 -2.043 0.000) 2.043 30.991 ( -0.000 -5.697 0.000) 5.697 31.227 ( -0.000 -1.750 0.000) 1.750 31.370 ( 0.000 9.982 -0.000) 9.982 31.405 ( -0.000 -3.931 0.000) 3.931 31.507 ( -0.000 -0.261 0.000) 0.261 31.589 ( -0.000 -1.011 0.000) 1.011 32.815 ( 0.000 10.320 -0.000) 10.320 33.034 ( 0.000 8.158 -0.000) 8.158 33.333 ( -0.000 -0.020 0.000) 0.020 33.421 ( 0.000 12.372 -0.000) 12.372 33.597 ( -0.000 -10.236 0.000) 10.236 35.352 ( 0.000 0.197 -0.000) 0.197 35.488 ( -0.000 -0.351 0.000) 0.351 35.587 ( -0.000 -0.314 0.000) 0.314 36.085 ( 0.000 0.031 -0.000) 0.031 36.169 ( 0.000 0.720 -0.000) 0.720 36.268 ( -0.000 -3.088 0.000) 3.088 37.385 ( -0.000 -16.483 0.000) 16.483 38.054 ( 0.000 13.514 -0.000) 13.514 ======================= Grid point 28 (18/114) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 13.467 0.000 7.756) 15.540 1.777 ( 19.500 0.000 20.906) 28.588 2.221 ( -7.385 -0.000 4.364) 8.578 2.689 ( -5.581 -0.000 -7.023) 8.970 2.841 ( 18.113 0.000 16.552) 24.536 2.938 ( 0.105 0.000 4.400) 4.401 2.960 ( 8.119 0.000 -5.836) 9.999 3.020 ( -3.361 -0.000 -0.656) 3.425 3.188 ( 7.883 0.000 -14.515) 16.517 3.370 ( -5.666 -0.000 -4.088) 6.987 3.576 ( 0.121 0.000 1.168) 1.174 3.724 ( -5.608 -0.000 -2.655) 6.205 3.858 ( 0.847 0.000 7.306) 7.355 3.871 ( -6.452 -0.000 4.987) 8.155 3.902 ( -6.214 -0.000 -16.038) 17.200 4.170 ( 1.015 0.000 1.758) 2.030 4.196 ( -10.419 -0.000 -3.087) 10.867 4.758 ( 1.150 0.000 -2.852) 3.075 4.880 ( 1.295 0.000 1.797) 2.215 4.896 ( -2.945 -0.000 -1.663) 3.382 5.098 ( 1.068 0.000 2.204) 2.449 5.367 ( 3.665 0.000 0.889) 3.772 5.589 ( 2.715 0.000 5.466) 6.103 5.609 ( 2.649 0.000 3.937) 4.745 5.726 ( -5.476 -0.000 -0.812) 5.536 5.931 ( -1.466 -0.000 7.599) 7.739 6.089 ( -1.300 -0.000 -2.499) 2.817 6.330 ( -0.595 -0.000 -1.939) 2.029 6.431 ( 0.716 0.000 3.622) 3.693 6.550 ( -0.987 -0.000 -0.421) 1.073 7.828 ( 5.429 0.000 4.000) 6.743 8.035 ( 4.100 0.000 4.529) 6.109 8.294 ( -5.890 -0.000 -8.372) 10.236 8.399 ( 5.111 0.000 -1.331) 5.282 8.920 ( -2.519 -0.000 0.464) 2.562 8.927 ( -17.004 -0.000 -8.824) 19.158 9.227 ( 0.870 0.000 1.303) 1.566 9.368 ( 3.918 0.000 1.954) 4.378 9.530 ( -2.285 -0.000 -0.892) 2.453 9.559 ( 6.722 0.000 5.524) 8.701 9.783 ( -1.261 -0.000 5.353) 5.499 9.916 ( 7.029 0.000 1.404) 7.167 10.231 ( 8.780 0.000 -0.993) 8.836 10.291 ( -0.236 -0.000 -0.726) 0.763 10.644 ( 0.878 0.000 1.150) 1.447 10.895 ( 0.332 0.000 3.193) 3.210 11.067 ( 2.225 0.000 2.548) 3.382 11.190 ( -2.050 -0.000 -2.732) 3.415 11.397 ( 1.329 0.000 3.023) 3.302 11.679 ( 0.762 0.000 5.351) 5.405 11.832 ( 5.854 0.000 4.334) 7.284 11.850 ( -0.054 -0.000 -8.436) 8.436 12.303 ( -9.910 -0.000 -5.578) 11.373 12.372 ( -4.371 -0.000 -1.866) 4.753 12.609 ( -8.066 -0.000 -8.234) 11.526 12.613 ( 5.810 0.000 10.812) 12.274 12.938 ( 2.623 0.000 -1.252) 2.906 13.027 ( -5.943 -0.000 -1.478) 6.124 13.268 ( 4.334 0.000 -0.793) 4.406 13.453 ( -5.062 -0.000 -2.346) 5.579 13.486 ( 5.953 0.000 4.385) 7.393 13.697 ( 1.538 0.000 1.823) 2.385 14.461 ( -12.777 -0.000 -7.219) 14.675 14.524 ( -1.398 -0.000 -1.810) 2.287 14.604 ( -5.047 -0.000 -2.835) 5.789 14.852 ( -5.088 -0.000 -0.466) 5.110 15.027 ( 0.215 0.000 0.073) 0.227 15.278 ( -0.271 -0.000 0.375) 0.463 15.871 ( 8.671 0.000 -0.578) 8.691 16.447 ( 4.273 0.000 0.914) 4.370 16.570 ( -6.259 -0.000 -0.096) 6.260 16.614 ( -4.057 -0.000 2.212) 4.620 16.911 ( 0.337 0.000 -1.329) 1.371 17.009 ( -1.451 -0.000 -1.056) 1.795 17.188 ( -0.745 -0.000 0.047) 0.747 17.490 ( 3.367 0.000 2.667) 4.295 19.955 ( -0.970 -0.000 -4.077) 4.191 20.038 ( 6.967 0.000 0.994) 7.037 20.947 ( 1.157 0.000 0.252) 1.184 21.006 ( 0.341 0.000 -0.328) 0.473 21.879 ( -1.652 -0.000 1.857) 2.486 22.364 ( 0.731 0.000 1.242) 1.441 23.219 ( -0.133 -0.000 0.854) 0.864 23.511 ( 0.231 0.000 0.496) 0.547 26.954 ( 0.072 0.000 -0.135) 0.153 26.963 ( 0.031 0.000 -0.155) 0.158 29.454 ( -0.627 -0.000 -0.979) 1.163 29.644 ( 4.602 0.000 3.975) 6.081 30.293 ( -5.365 -0.000 -3.200) 6.247 30.659 ( -3.151 -0.000 -2.198) 3.842 30.701 ( -4.125 -0.000 -2.845) 5.011 31.292 ( -2.702 -0.000 -4.191) 4.987 31.357 ( -0.034 -0.000 -1.329) 1.330 32.004 ( -0.097 -0.000 0.694) 0.700 32.168 ( 3.652 0.000 2.179) 4.252 32.422 ( 1.255 0.000 3.129) 3.371 32.750 ( 0.441 0.000 2.945) 2.978 33.394 ( -2.723 -0.000 -2.760) 3.877 34.012 ( -1.667 -0.000 -0.171) 1.675 34.818 ( 6.050 0.000 -8.103) 10.112 35.295 ( -0.829 -0.000 -0.085) 0.833 35.386 ( 1.383 0.000 -2.921) 3.232 35.549 ( 0.872 0.000 -0.509) 1.009 35.971 ( -1.334 -0.000 0.398) 1.392 36.074 ( -3.947 -0.000 3.906) 5.552 36.225 ( -3.175 -0.000 5.241) 6.128 36.252 ( -1.906 -0.000 -4.232) 4.642 38.895 ( 6.096 0.000 5.878) 8.468 ======================= Grid point 29 (19/114) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 8.262 -1.285 5.147) 9.818 1.874 ( 5.002 9.648 3.931) 11.556 2.268 ( -3.442 -7.083 2.440) 8.244 2.651 ( 5.972 -8.126 1.169) 10.152 2.847 ( -6.066 0.186 -0.829) 6.125 2.980 ( 4.837 2.187 -0.246) 5.314 3.056 ( 9.552 5.396 6.318) 12.660 3.195 ( -0.067 -5.055 -2.381) 5.588 3.231 ( -6.054 -1.782 -2.983) 6.981 3.338 ( 2.207 -18.081 -3.205) 18.495 3.583 ( -0.651 1.264 3.457) 3.738 3.685 ( -5.083 -2.551 0.568) 5.715 3.767 ( -3.542 1.514 -9.919) 10.641 3.883 ( 2.418 -0.689 -1.374) 2.866 3.897 ( -1.000 -2.446 1.583) 3.080 4.100 ( -6.784 1.204 1.460) 7.043 4.247 ( 0.650 -5.054 1.513) 5.315 4.754 ( 1.728 0.012 -0.766) 1.891 4.839 ( 1.186 2.740 0.358) 3.007 4.942 ( 3.373 -1.863 1.504) 4.137 5.074 ( -4.317 2.426 0.043) 4.952 5.338 ( -0.720 3.912 -4.030) 5.663 5.603 ( 1.747 2.152 2.696) 3.867 5.654 ( -1.008 -6.138 -0.016) 6.220 5.816 ( 2.471 -4.016 4.650) 6.623 5.908 ( -0.814 6.766 2.391) 7.222 6.081 ( 0.388 -4.727 0.597) 4.781 6.246 ( -1.347 7.710 -1.538) 7.977 6.453 ( -0.224 5.935 -0.160) 5.941 6.486 ( -0.454 -0.279 1.150) 1.267 7.882 ( 5.025 1.957 3.588) 6.477 8.038 ( 0.360 5.328 1.707) 5.606 8.173 ( -6.237 3.856 -6.498) 9.798 8.453 ( 6.046 -4.080 0.653) 7.323 8.777 ( -5.763 -1.404 -2.940) 6.620 8.960 ( -4.434 -4.170 -1.790) 6.345 9.151 ( -0.621 6.476 -0.133) 6.507 9.408 ( 2.618 0.823 1.162) 2.980 9.506 ( -1.696 0.110 0.318) 1.729 9.609 ( 2.639 1.166 1.181) 3.118 9.796 ( -2.355 -0.243 0.530) 2.426 9.998 ( 6.395 -1.695 3.175) 7.338 10.225 ( -0.052 2.198 -0.625) 2.285 10.376 ( 6.909 -3.599 0.461) 7.804 10.537 ( -3.379 10.481 1.877) 11.171 10.943 ( 2.013 -1.362 1.662) 2.945 11.047 ( 2.330 5.369 2.627) 6.416 11.175 ( -1.299 -1.691 -2.200) 3.064 11.452 ( 1.371 -3.327 1.211) 3.797 11.686 ( -0.111 3.592 5.123) 6.258 11.801 ( 1.300 0.397 -4.643) 4.838 11.949 ( 5.442 -4.608 3.601) 7.989 12.209 ( -10.637 -0.278 -5.640) 12.043 12.329 ( 1.609 0.007 0.351) 1.647 12.515 ( -6.708 -1.558 -6.748) 9.642 12.606 ( 5.747 14.495 10.888) 19.018 12.812 ( -2.800 8.443 -2.963) 9.375 12.840 ( -3.016 9.073 -5.300) 10.932 13.303 ( 2.907 0.364 -0.741) 3.022 13.371 ( -2.939 -2.113 0.566) 3.664 13.649 ( 0.278 4.656 0.952) 4.761 13.792 ( 7.320 -14.839 3.867) 16.992 14.274 ( -11.063 3.438 -6.067) 13.077 14.618 ( -1.590 -13.667 -0.969) 13.793 14.822 ( -1.191 -1.574 4.383) 4.807 14.863 ( 0.435 -19.761 -3.707) 20.111 15.079 ( -2.681 -4.151 -0.866) 5.017 15.267 ( -0.046 -1.594 -0.570) 1.693 16.027 ( 6.338 -9.379 0.088) 11.320 16.399 ( 1.814 6.922 2.688) 7.644 16.472 ( -5.809 5.705 -1.462) 8.272 16.535 ( -0.826 5.361 -0.004) 5.424 16.943 ( -0.804 -3.872 -1.179) 4.127 17.050 ( 0.109 -4.491 -0.109) 4.494 17.257 ( -0.554 -6.741 -0.177) 6.766 17.519 ( 1.527 0.330 1.260) 2.007 19.978 ( -0.510 -5.141 -2.120) 5.584 20.068 ( 3.426 1.578 0.329) 3.786 20.830 ( 0.457 10.071 0.144) 10.083 21.013 ( 0.216 2.760 -0.075) 2.769 21.950 ( -0.803 -8.100 0.963) 8.196 22.445 ( 0.353 -7.293 0.575) 7.324 23.134 ( 0.155 8.806 0.610) 8.828 23.486 ( 0.183 3.482 0.289) 3.499 27.060 ( 0.306 -11.777 0.052) 11.781 27.096 ( -0.953 -13.789 -0.829) 13.847 29.249 ( -0.899 17.878 -1.111) 17.935 29.645 ( 3.270 6.213 2.825) 7.568 30.417 ( -2.447 -15.965 -1.096) 16.189 30.644 ( -1.590 -1.717 -1.290) 2.672 30.693 ( -2.714 -3.344 -1.769) 4.656 31.279 ( -1.395 -2.189 -2.156) 3.374 31.380 ( 0.243 -2.942 -0.701) 3.034 31.912 ( 0.127 8.759 0.550) 8.777 32.096 ( 1.165 9.933 0.998) 10.050 32.537 ( 0.761 -8.852 1.658) 9.039 32.872 ( 0.650 -10.188 1.514) 10.321 33.343 ( -1.617 2.437 -1.642) 3.354 33.952 ( -0.744 5.385 -0.334) 5.446 34.536 ( 4.248 26.587 -0.891) 26.939 35.303 ( -0.287 -1.377 -0.579) 1.521 35.394 ( -0.080 -1.411 -0.296) 1.444 35.537 ( 0.337 0.179 -0.401) 0.553 36.066 ( 2.871 -0.749 -2.853) 4.116 36.180 ( -2.066 -8.402 4.777) 9.883 36.221 ( -2.168 0.592 2.846) 3.626 36.261 ( -3.577 -12.990 -4.875) 14.328 38.870 ( 3.096 9.492 3.002) 10.426 ======================= Grid point 30 (20/114) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -0.000 -5.895 0.000) 5.895 1.903 ( -0.000 -4.900 0.000) 4.900 2.341 ( 0.000 0.239 -0.000) 0.239 2.769 ( -0.000 -3.490 0.000) 3.490 2.859 ( 0.000 13.885 -0.000) 13.885 2.930 ( 0.000 12.524 -0.000) 12.524 2.992 ( -0.000 -8.726 0.000) 8.726 3.193 ( -0.000 -14.543 0.000) 14.543 3.387 ( -0.000 -7.544 0.000) 7.544 3.535 ( 0.000 4.667 -0.000) 4.667 3.684 ( -0.000 -8.363 0.000) 8.363 3.699 ( -0.000 -4.135 0.000) 4.135 3.739 ( -0.000 -4.930 0.000) 4.930 3.919 ( -0.000 -2.687 0.000) 2.687 3.970 ( -0.000 -5.863 0.000) 5.863 4.069 ( -0.000 -0.332 0.000) 0.332 4.356 ( -0.000 -5.640 0.000) 5.640 4.780 ( -0.000 -1.494 0.000) 1.494 4.806 ( 0.000 2.105 -0.000) 2.105 4.972 ( 0.000 1.191 -0.000) 1.191 5.035 ( -0.000 -3.539 0.000) 3.539 5.215 ( 0.000 7.342 -0.000) 7.342 5.576 ( 0.000 2.628 -0.000) 2.628 5.688 ( 0.000 12.520 -0.000) 12.520 5.799 ( -0.000 -9.134 0.000) 9.134 5.932 ( -0.000 -3.916 0.000) 3.916 6.028 ( 0.000 14.338 -0.000) 14.338 6.265 ( -0.000 -12.123 0.000) 12.123 6.265 ( 0.000 11.622 -0.000) 11.622 6.523 ( -0.000 -1.147 0.000) 1.147 7.877 ( 0.000 1.467 -0.000) 1.467 7.895 ( 0.000 8.939 -0.000) 8.939 8.039 ( 0.000 4.561 -0.000) 4.561 8.603 ( -0.000 -5.867 0.000) 5.867 8.822 ( -0.000 -6.133 0.000) 6.133 8.950 ( 0.000 2.973 -0.000) 2.973 9.121 ( -0.000 -5.381 0.000) 5.381 9.381 ( 0.000 2.977 -0.000) 2.977 9.480 ( 0.000 3.698 -0.000) 3.698 9.575 ( 0.000 3.702 -0.000) 3.702 9.779 ( -0.000 -0.695 0.000) 0.695 10.092 ( -0.000 -3.786 0.000) 3.786 10.165 ( 0.000 4.135 -0.000) 4.135 10.269 ( 0.000 14.745 -0.000) 14.745 10.473 ( -0.000 -0.704 0.000) 0.704 10.942 ( 0.000 8.123 -0.000) 8.123 10.951 ( 0.000 1.429 -0.000) 1.429 11.224 ( -0.000 -4.418 0.000) 4.418 11.546 ( -0.000 -5.626 0.000) 5.626 11.599 ( 0.000 6.552 -0.000) 6.552 11.790 ( 0.000 2.177 -0.000) 2.177 12.044 ( -0.000 -0.161 0.000) 0.161 12.190 ( -0.000 -7.445 0.000) 7.445 12.290 ( 0.000 13.532 -0.000) 13.532 12.366 ( 0.000 5.011 -0.000) 5.011 12.512 ( -0.000 -2.785 0.000) 2.785 12.625 ( 0.000 9.005 -0.000) 9.005 12.814 ( -0.000 -4.610 0.000) 4.610 13.314 ( -0.000 -3.155 0.000) 3.155 13.417 ( -0.000 -0.413 0.000) 0.413 13.549 ( 0.000 3.391 -0.000) 3.391 14.093 ( 0.000 7.236 -0.000) 7.236 14.167 ( -0.000 -17.966 0.000) 17.966 14.730 ( 0.000 10.783 -0.000) 10.783 14.883 ( -0.000 -14.272 0.000) 14.272 15.123 ( -0.000 -4.790 0.000) 4.790 15.243 ( -0.000 -17.105 0.000) 17.105 15.382 ( -0.000 -10.016 0.000) 10.016 16.182 ( -0.000 -0.820 0.000) 0.820 16.281 ( 0.000 6.861 -0.000) 6.861 16.409 ( 0.000 7.486 -0.000) 7.486 16.444 ( -0.000 -9.936 0.000) 9.936 17.015 ( -0.000 -4.611 0.000) 4.611 17.132 ( -0.000 -4.246 0.000) 4.246 17.367 ( -0.000 -4.893 0.000) 4.893 17.514 ( 0.000 0.995 -0.000) 0.995 20.056 ( 0.000 0.335 -0.000) 0.335 20.101 ( -0.000 -9.153 0.000) 9.153 20.631 ( 0.000 12.197 -0.000) 12.197 20.913 ( 0.000 7.673 -0.000) 7.673 22.151 ( -0.000 -13.767 0.000) 13.767 22.611 ( -0.000 -10.497 0.000) 10.497 22.952 ( 0.000 11.130 -0.000) 11.130 23.392 ( 0.000 7.214 -0.000) 7.214 27.352 ( -0.000 -19.842 0.000) 19.842 27.392 ( -0.000 -19.576 0.000) 19.576 28.877 ( 0.000 22.252 -0.000) 22.252 29.505 ( 0.000 11.341 -0.000) 11.341 30.685 ( -0.000 -4.051 0.000) 4.051 30.731 ( -0.000 -19.071 0.000) 19.071 30.757 ( -0.000 -5.689 0.000) 5.689 31.314 ( -0.000 -2.734 0.000) 2.734 31.443 ( -0.000 -3.586 0.000) 3.586 31.739 ( 0.000 10.351 -0.000) 10.351 31.897 ( 0.000 12.235 -0.000) 12.235 32.718 ( -0.000 -9.674 0.000) 9.674 33.090 ( -0.000 -12.607 0.000) 12.607 33.267 ( 0.000 4.717 -0.000) 4.717 33.816 ( 0.000 9.137 -0.000) 9.137 34.047 ( 0.000 28.406 -0.000) 28.406 35.328 ( -0.000 -1.493 0.000) 1.493 35.428 ( -0.000 -2.303 0.000) 2.303 35.549 ( -0.000 -1.208 0.000) 1.208 36.078 ( -0.000 -0.514 0.000) 0.514 36.206 ( 0.000 1.057 -0.000) 1.057 36.208 ( -0.000 -0.336 0.000) 0.336 36.623 ( -0.000 -23.538 0.000) 23.538 38.656 ( 0.000 16.036 -0.000) 16.036 ======================= Grid point 39 (21/114) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 0.000 0.000 0.000) 0.000 2.144 ( 0.000 0.000 0.000) 0.000 2.186 ( 0.000 0.000 0.000) 0.000 2.505 ( -0.000 -0.000 0.000) 0.000 2.948 ( 0.000 0.000 0.000) 0.000 2.961 ( 0.000 0.000 0.000) 0.000 3.032 ( 0.000 0.000 0.000) 0.000 3.078 ( 0.000 0.000 -0.000) 0.000 3.202 ( 0.000 0.000 0.000) 0.000 3.281 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 -0.000) 0.000 3.629 ( 0.000 0.000 0.000) 0.000 3.719 ( -0.000 -0.000 0.000) 0.000 3.866 ( 0.000 0.000 -0.000) 0.000 3.913 ( 0.000 0.000 0.000) 0.000 4.082 ( 0.000 0.000 -0.000) 0.000 4.206 ( 0.000 0.000 0.000) 0.000 4.750 ( -0.000 -0.000 -0.000) 0.000 4.871 ( 0.000 0.000 0.000) 0.000 4.939 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000 5.580 ( 0.000 0.000 0.000) 0.000 5.645 ( 0.000 0.000 0.000) 0.000 5.770 ( 0.000 0.000 0.000) 0.000 6.009 ( 0.000 0.000 -0.000) 0.000 6.034 ( 0.000 0.000 0.000) 0.000 6.312 ( 0.000 0.000 0.000) 0.000 6.458 ( 0.000 0.000 0.000) 0.000 6.528 ( 0.000 0.000 0.000) 0.000 7.953 ( 0.000 0.000 0.000) 0.000 8.116 ( 0.000 0.000 0.000) 0.000 8.147 ( 0.000 0.000 0.000) 0.000 8.416 ( 0.000 0.000 0.000) 0.000 8.726 ( 0.000 0.000 0.000) 0.000 8.902 ( 0.000 0.000 0.000) 0.000 9.240 ( 0.000 0.000 0.000) 0.000 9.438 ( -0.000 -0.000 -0.000) 0.000 9.459 ( 0.000 0.000 0.000) 0.000 9.641 ( 0.000 0.000 0.000) 0.000 9.797 ( 0.000 0.000 0.000) 0.000 10.018 ( 0.000 0.000 0.000) 0.000 10.255 ( 0.000 0.000 0.000) 0.000 10.336 ( 0.000 0.000 0.000) 0.000 10.645 ( 0.000 0.000 0.000) 0.000 10.942 ( 0.000 0.000 0.000) 0.000 11.116 ( 0.000 0.000 0.000) 0.000 11.148 ( 0.000 0.000 0.000) 0.000 11.433 ( 0.000 0.000 -0.000) 0.000 11.752 ( 0.000 0.000 -0.000) 0.000 11.765 ( 0.000 0.000 0.000) 0.000 11.949 ( -0.000 -0.000 -0.000) 0.000 12.165 ( 0.000 0.000 0.000) 0.000 12.311 ( 0.000 0.000 0.000) 0.000 12.417 ( 0.000 0.000 0.000) 0.000 12.750 ( 0.000 0.000 -0.000) 0.000 12.949 ( 0.000 0.000 0.000) 0.000 12.962 ( 0.000 0.000 0.000) 0.000 13.322 ( 0.000 0.000 0.000) 0.000 13.375 ( 0.000 0.000 0.000) 0.000 13.605 ( 0.000 0.000 0.000) 0.000 13.709 ( 0.000 0.000 -0.000) 0.000 14.251 ( 0.000 0.000 0.000) 0.000 14.502 ( 0.000 0.000 0.000) 0.000 14.568 ( 0.000 0.000 0.000) 0.000 14.822 ( 0.000 0.000 0.000) 0.000 15.031 ( 0.000 0.000 0.000) 0.000 15.277 ( 0.000 0.000 0.000) 0.000 15.951 ( 0.000 0.000 0.000) 0.000 16.500 ( 0.000 0.000 0.000) 0.000 16.507 ( 0.000 0.000 0.000) 0.000 16.582 ( 0.000 0.000 0.000) 0.000 16.906 ( 0.000 0.000 0.000) 0.000 16.993 ( 0.000 0.000 0.000) 0.000 17.182 ( 0.000 0.000 0.000) 0.000 17.532 ( 0.000 0.000 0.000) 0.000 19.923 ( 0.000 0.000 0.000) 0.000 20.101 ( 0.000 0.000 0.000) 0.000 20.958 ( 0.000 0.000 0.000) 0.000 21.007 ( 0.000 0.000 0.000) 0.000 21.877 ( 0.000 0.000 0.000) 0.000 22.378 ( 0.000 0.000 0.000) 0.000 23.223 ( 0.000 0.000 0.000) 0.000 23.518 ( 0.000 0.000 0.000) 0.000 26.953 ( 0.000 0.000 0.000) 0.000 26.962 ( 0.000 0.000 0.000) 0.000 29.438 ( 0.000 0.000 0.000) 0.000 29.708 ( 0.000 0.000 0.000) 0.000 30.234 ( 0.000 0.000 0.000) 0.000 30.620 ( 0.000 0.000 0.000) 0.000 30.647 ( 0.000 0.000 0.000) 0.000 31.247 ( 0.000 0.000 0.000) 0.000 31.349 ( 0.000 0.000 0.000) 0.000 32.007 ( 0.000 0.000 0.000) 0.000 32.210 ( 0.000 0.000 0.000) 0.000 32.450 ( 0.000 0.000 0.000) 0.000 32.772 ( 0.000 0.000 0.000) 0.000 33.354 ( 0.000 0.000 0.000) 0.000 33.997 ( 0.000 0.000 0.000) 0.000 34.819 ( 0.000 0.000 0.000) 0.000 35.286 ( 0.000 0.000 0.000) 0.000 35.380 ( 0.000 0.000 0.000) 0.000 35.553 ( 0.000 0.000 0.000) 0.000 35.967 ( 0.000 0.000 0.000) 0.000 36.065 ( 0.000 0.000 -0.000) 0.000 36.209 ( 0.000 0.000 0.000) 0.000 36.230 ( -0.000 -0.000 0.000) 0.000 38.979 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 69 (22/114) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 10.045 0.000 28.570) 30.285 0.700 ( 2.784 0.000 31.163) 31.287 1.131 ( 10.075 0.000 49.290) 50.309 2.140 ( 1.756 0.000 4.032) 4.398 2.440 ( 2.121 0.000 9.333) 9.571 2.702 ( 6.267 0.000 2.921) 6.914 2.897 ( -1.652 -0.000 -0.822) 1.845 3.273 ( 0.274 0.000 -2.320) 2.337 3.361 ( -2.678 -0.000 -22.949) 23.105 3.545 ( 1.020 0.000 6.316) 6.398 3.546 ( 1.664 0.000 -9.700) 9.841 3.704 ( 1.336 0.000 -2.994) 3.278 3.830 ( -1.737 -0.000 -2.807) 3.301 4.037 ( -4.227 -0.000 4.050) 5.854 4.293 ( 3.192 0.000 -6.275) 7.040 4.413 ( -0.919 -0.000 -5.086) 5.168 4.556 ( -7.521 -0.000 8.660) 11.470 4.826 ( -0.233 -0.000 -5.143) 5.149 4.939 ( 6.533 0.000 7.520) 9.962 5.096 ( 2.669 0.000 -2.415) 3.600 5.226 ( -19.442 -0.000 -8.526) 21.229 5.267 ( -0.383 -0.000 -3.853) 3.872 5.386 ( -4.208 -0.000 5.765) 7.137 5.623 ( -2.818 -0.000 -9.429) 9.841 5.960 ( 3.853 0.000 3.644) 5.304 5.973 ( 2.850 0.000 8.648) 9.106 6.004 ( 1.124 0.000 9.352) 9.420 6.256 ( 2.369 0.000 -0.038) 2.369 6.548 ( -0.183 -0.000 1.680) 1.690 6.606 ( -3.596 -0.000 -0.202) 3.602 7.658 ( 4.007 0.000 2.714) 4.840 8.030 ( -15.938 -0.000 -5.212) 16.769 8.260 ( -2.783 -0.000 -3.839) 4.741 8.301 ( 5.684 0.000 1.311) 5.833 9.018 ( -1.565 -0.000 3.949) 4.248 9.084 ( 4.764 0.000 -0.395) 4.780 9.092 ( 2.503 0.000 1.863) 3.121 9.231 ( -0.938 -0.000 2.352) 2.533 9.455 ( -0.981 -0.000 7.791) 7.853 9.705 ( -2.689 -0.000 -2.524) 3.687 9.733 ( 2.972 0.000 -1.021) 3.142 9.910 ( 6.663 0.000 -4.894) 8.267 9.989 ( 1.505 0.000 2.248) 2.705 10.278 ( -2.150 -0.000 -4.358) 4.859 10.484 ( -3.560 -0.000 5.288) 6.375 11.027 ( -4.009 -0.000 -8.645) 9.529 11.217 ( -2.536 -0.000 -0.745) 2.644 11.326 ( -1.779 -0.000 4.948) 5.258 11.340 ( -3.898 -0.000 -1.033) 4.033 11.591 ( 1.259 0.000 -4.673) 4.840 11.606 ( -0.494 -0.000 0.052) 0.497 11.953 ( 1.638 0.000 -4.115) 4.429 12.250 ( -9.693 -0.000 7.987) 12.560 12.452 ( 8.096 0.000 8.856) 11.999 12.495 ( 6.813 0.000 3.256) 7.551 12.505 ( 0.899 0.000 -1.010) 1.352 12.940 ( -1.266 -0.000 -2.314) 2.638 12.986 ( 9.133 0.000 -9.388) 13.098 13.357 ( -2.923 -0.000 5.639) 6.351 13.507 ( 0.915 0.000 0.172) 0.931 13.672 ( 0.281 0.000 -2.751) 2.765 13.682 ( -1.765 -0.000 -2.151) 2.783 14.569 ( 0.813 0.000 -3.901) 3.985 14.595 ( 1.240 0.000 -1.645) 2.060 14.852 ( -2.828 -0.000 4.610) 5.409 14.918 ( 34.643 0.000 0.879) 34.654 15.101 ( 2.864 0.000 2.037) 3.515 15.244 ( 3.965 0.000 1.932) 4.411 15.669 ( 32.790 0.000 0.276) 32.792 16.111 ( -13.165 -0.000 -7.999) 15.405 16.660 ( 1.985 0.000 4.475) 4.895 16.727 ( 1.672 0.000 1.714) 2.395 16.970 ( -1.809 -0.000 -0.422) 1.857 17.089 ( 2.659 0.000 -3.402) 4.317 17.193 ( 4.269 0.000 3.036) 5.239 17.319 ( -5.474 -0.000 4.819) 7.293 19.686 ( 1.562 0.000 -0.732) 1.725 20.063 ( -3.837 -0.000 -6.455) 7.509 20.896 ( -0.311 -0.000 0.859) 0.914 21.074 ( -3.874 -0.000 -1.396) 4.118 22.141 ( -7.998 -0.000 0.934) 8.053 22.275 ( 2.647 0.000 -1.102) 2.868 23.208 ( -1.227 -0.000 2.202) 2.521 23.501 ( 1.104 0.000 -1.899) 2.197 26.955 ( -0.101 -0.000 -0.013) 0.102 26.965 ( -0.035 -0.000 -0.174) 0.178 29.340 ( 3.583 0.000 2.807) 4.551 29.461 ( -0.395 -0.000 2.361) 2.394 30.702 ( -7.167 -0.000 0.856) 7.218 30.871 ( -3.518 -0.000 -0.548) 3.560 30.887 ( -0.631 -0.000 -2.349) 2.433 31.241 ( 109.165 0.000 -2.969) 109.206 31.488 ( -5.635 -0.000 1.649) 5.871 31.645 ( 14.889 0.000 -2.473) 15.093 31.910 ( 3.096 0.000 3.670) 4.801 32.046 ( -0.549 -0.000 0.847) 1.010 32.515 ( 11.897 0.000 4.343) 12.665 32.678 ( 0.605 0.000 2.838) 2.902 33.568 ( -1.751 -0.000 -0.721) 1.894 34.064 ( 3.593 0.000 -2.827) 4.572 35.331 ( -1.016 -0.000 2.234) 2.455 35.476 ( 0.854 0.000 -0.625) 1.058 35.545 ( -2.762 -0.000 2.473) 3.708 36.060 ( 1.304 0.000 -3.860) 4.074 36.161 ( -1.122 -0.000 -1.008) 1.508 36.431 ( -3.561 -0.000 -3.313) 4.864 38.308 ( -74.081 -0.000 0.486) 74.083 38.371 ( 11.109 0.000 -1.370) 11.193 ======================= Grid point 70 (23/114) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 5.833 -11.017 25.700) 28.564 1.070 ( 14.031 -17.934 18.495) 29.336 1.750 ( 18.116 -23.313 33.896) 44.951 2.213 ( 10.925 -1.009 -1.412) 11.062 2.536 ( 0.779 3.283 1.814) 3.831 2.686 ( -1.069 -0.725 -1.031) 1.653 2.789 ( 2.610 5.214 3.370) 6.735 3.070 ( 5.377 4.324 -1.836) 7.140 3.471 ( -2.960 -9.862 -7.418) 12.691 3.592 ( 3.325 -2.845 -3.987) 5.920 3.608 ( -0.402 -5.090 0.565) 5.137 3.691 ( -1.888 -0.078 -3.701) 4.156 3.794 ( -0.648 1.915 -0.285) 2.042 4.054 ( -4.061 -0.832 5.739) 7.080 4.183 ( 2.997 4.247 -8.018) 9.555 4.422 ( -4.448 -0.525 -7.551) 8.780 4.519 ( -11.505 0.505 4.323) 12.300 4.789 ( 0.185 0.584 -5.555) 5.589 5.002 ( -1.401 4.717 -9.919) 11.073 5.036 ( -3.198 -2.620 -0.313) 4.146 5.223 ( -4.614 -0.816 -0.789) 4.751 5.245 ( 0.068 -9.666 5.736) 11.240 5.388 ( -1.967 4.852 -1.491) 5.444 5.566 ( 0.836 -5.365 5.253) 7.555 5.879 ( 2.743 9.208 2.810) 10.010 5.971 ( 1.111 5.172 5.400) 7.559 6.023 ( -1.736 4.711 4.780) 6.932 6.304 ( 3.252 -1.603 0.058) 3.626 6.497 ( -2.169 4.508 2.002) 5.389 6.595 ( -6.161 -1.841 -0.931) 6.498 7.747 ( 9.204 -1.274 3.572) 9.954 7.903 ( -9.288 0.480 -4.082) 10.156 8.176 ( 0.302 4.090 -1.314) 4.306 8.354 ( 5.061 -0.249 -2.154) 5.506 8.989 ( -3.349 3.571 2.682) 5.583 9.111 ( 4.670 0.524 1.495) 4.931 9.177 ( 3.430 -3.308 6.085) 7.728 9.223 ( 1.337 1.852 -1.326) 2.641 9.479 ( -0.258 1.426 6.587) 6.745 9.672 ( -5.376 -3.087 0.740) 6.243 9.752 ( 1.053 1.392 -3.027) 3.494 9.842 ( -0.050 1.677 -5.348) 5.605 10.066 ( 8.106 -2.168 5.724) 10.157 10.218 ( -2.668 1.870 -3.321) 4.652 10.469 ( -0.433 2.466 3.962) 4.687 10.885 ( 0.763 8.224 -4.125) 9.232 11.170 ( -11.148 1.734 -0.993) 11.326 11.250 ( 1.233 6.103 1.341) 6.369 11.317 ( -1.780 -0.972 -3.036) 3.651 11.589 ( 3.875 0.579 -3.283) 5.111 11.647 ( 3.193 -3.507 5.676) 7.396 11.892 ( 2.043 5.041 2.786) 6.111 12.108 ( -0.807 5.124 10.018) 11.282 12.450 ( 3.651 5.655 4.735) 8.230 12.499 ( 1.666 2.294 -0.094) 2.837 12.655 ( 2.328 -2.345 -0.019) 3.304 12.866 ( 0.965 4.021 -3.651) 5.516 13.000 ( 3.646 -0.370 -6.797) 7.722 13.276 ( -6.224 3.462 4.855) 8.620 13.558 ( 0.955 -1.558 -1.882) 2.623 13.607 ( 0.309 1.518 2.046) 2.566 13.737 ( -4.292 -7.075 -2.569) 8.665 14.506 ( 10.740 9.368 5.805) 15.388 14.576 ( -0.600 1.207 -1.826) 2.270 14.795 ( -1.391 -8.952 5.558) 10.628 15.123 ( -3.262 -5.008 -2.656) 6.540 15.369 ( -3.925 -8.776 -2.778) 10.007 15.419 ( 2.278 -15.736 -2.592) 16.110 15.842 ( -0.528 2.724 -5.335) 6.013 16.162 ( 6.151 -5.241 -9.170) 12.223 16.627 ( -0.921 4.816 -0.231) 4.908 16.826 ( -1.443 -9.554 -10.329) 14.144 16.971 ( -1.705 -2.277 -1.103) 3.051 17.127 ( 1.618 -4.568 -4.145) 6.377 17.282 ( 4.763 -2.418 4.194) 6.792 17.340 ( -2.710 -3.808 3.099) 5.608 19.738 ( 4.320 -3.085 -0.515) 5.333 20.024 ( 0.798 -3.297 -8.877) 9.503 20.805 ( -0.776 8.802 2.173) 9.099 21.009 ( -0.669 4.621 -0.821) 4.741 22.123 ( -6.932 -5.058 5.962) 10.449 22.373 ( 2.586 -8.377 -0.949) 8.818 23.132 ( -2.582 6.900 2.573) 7.804 23.478 ( 0.656 3.419 -3.039) 4.621 27.043 ( -0.017 -9.852 0.308) 9.857 27.382 ( -10.187 -36.181 -18.749) 42.004 29.257 ( 6.306 13.768 3.690) 15.587 29.354 ( -0.356 12.938 1.012) 12.982 30.710 ( -2.988 -6.009 0.656) 6.743 30.856 ( -5.837 -3.002 -0.298) 6.570 30.894 ( -1.507 -3.448 -2.547) 4.544 31.300 ( 7.470 5.514 3.075) 9.781 31.584 ( -5.853 -3.290 -7.801) 10.292 31.842 ( 15.036 6.438 1.160) 16.398 31.919 ( -0.983 7.573 1.310) 7.748 32.253 ( 35.738 -8.202 -8.356) 37.608 32.760 ( 40.193 -0.323 -5.821) 40.614 32.792 ( 1.239 -8.819 2.271) 9.191 33.525 ( -2.868 2.304 -0.729) 3.750 34.034 ( 2.758 4.304 -2.933) 5.894 35.343 ( -1.347 -0.882 2.365) 2.861 35.473 ( 0.334 0.299 0.591) 0.742 35.552 ( -3.179 -1.500 3.557) 5.001 35.990 ( 0.218 2.379 -2.782) 3.667 36.269 ( -1.435 -7.818 -1.909) 8.175 36.371 ( -2.339 0.527 -4.254) 4.883 37.564 ( -55.750 15.674 23.507) 62.501 38.408 ( 12.134 6.913 1.002) 14.001 ======================= Grid point 71 (24/114) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 7.575 -16.049 15.724) 23.711 1.580 ( 12.104 -19.401 6.651) 23.815 2.279 ( 7.274 -2.060 11.512) 13.773 2.299 ( 12.182 -1.091 -8.894) 15.123 2.453 ( 4.780 -4.852 1.825) 7.052 2.772 ( 3.899 -8.426 1.395) 9.389 3.046 ( 5.521 -17.678 10.962) 21.521 3.103 ( 4.494 -1.083 0.762) 4.685 3.479 ( 0.299 3.669 -2.707) 4.569 3.567 ( -6.124 1.920 0.540) 6.441 3.662 ( 1.173 -1.760 -7.985) 8.261 3.746 ( 0.713 -1.704 2.898) 3.437 3.776 ( 2.574 -0.827 4.815) 5.522 3.982 ( -5.116 1.035 -7.708) 9.309 4.171 ( -3.786 0.967 6.972) 7.992 4.309 ( -0.229 4.175 -5.003) 6.520 4.398 ( -11.147 1.628 -1.127) 11.321 4.771 ( -2.441 -1.870 -2.431) 3.920 4.834 ( -3.535 4.524 -5.946) 8.265 5.090 ( -3.345 -4.734 -2.404) 6.275 5.174 ( -0.480 1.102 -1.168) 1.676 5.287 ( -1.644 0.872 -6.286) 6.555 5.439 ( -1.326 -4.637 1.914) 5.189 5.735 ( 2.080 -1.104 4.415) 5.003 5.750 ( 4.051 5.066 1.572) 6.674 5.862 ( -6.947 7.866 3.449) 11.046 5.959 ( 8.961 3.219 5.637) 11.065 6.317 ( 0.895 1.621 -3.914) 4.330 6.394 ( -5.524 4.861 3.114) 7.990 6.557 ( -5.960 -0.055 -0.360) 5.971 7.805 ( -0.374 0.634 0.544) 0.915 7.891 ( 7.070 -1.979 0.601) 7.367 8.124 ( 0.946 1.963 0.198) 2.188 8.375 ( 1.031 -0.938 -4.384) 4.600 8.900 ( -3.382 2.965 0.697) 4.551 9.105 ( -0.561 3.500 -3.031) 4.664 9.153 ( 2.306 1.001 2.124) 3.291 9.329 ( 3.280 -2.659 -0.728) 4.285 9.495 ( 0.319 0.275 6.103) 6.117 9.613 ( -5.490 3.433 -3.931) 7.574 9.699 ( 1.767 1.341 0.970) 2.421 9.916 ( 7.188 -2.581 0.826) 7.682 10.106 ( -2.292 3.284 5.301) 6.644 10.232 ( 0.698 -4.715 2.191) 5.246 10.434 ( -0.294 3.254 0.494) 3.304 10.733 ( 2.807 8.084 -0.151) 8.558 11.053 ( -6.753 1.915 -0.081) 7.020 11.194 ( 4.687 2.760 0.309) 5.448 11.313 ( -2.050 -1.872 -1.811) 3.314 11.576 ( 3.173 1.954 -2.899) 4.721 11.791 ( 7.545 -1.119 8.603) 11.497 11.861 ( -2.960 -0.295 4.430) 5.336 12.146 ( -0.473 -5.684 1.100) 5.809 12.377 ( 0.109 5.287 0.413) 5.304 12.437 ( 2.298 5.922 -0.914) 6.418 12.603 ( -2.548 5.058 -4.418) 7.183 12.811 ( 2.359 2.621 -0.584) 3.574 12.902 ( -6.666 5.794 -3.613) 9.543 13.255 ( -0.420 -0.980 2.030) 2.293 13.553 ( 0.210 0.142 -3.289) 3.298 13.696 ( 3.715 -5.492 7.799) 10.237 13.820 ( -6.974 -7.755 -1.817) 10.587 14.449 ( 9.707 10.076 5.567) 15.058 14.558 ( -1.372 -1.446 -4.069) 4.531 14.987 ( -1.593 -8.554 4.162) 9.645 15.201 ( -3.567 -7.550 -2.866) 8.828 15.413 ( -4.505 -4.055 -2.138) 6.427 15.666 ( -2.767 -9.617 -2.108) 10.227 15.836 ( 1.139 -4.554 -1.669) 4.982 16.118 ( 4.726 4.796 2.567) 7.205 16.507 ( -1.482 6.481 0.628) 6.678 16.846 ( -8.751 -4.049 -12.977) 16.167 17.006 ( -0.580 -3.633 -0.094) 3.680 17.214 ( 0.366 -6.827 -5.987) 9.088 17.340 ( 0.324 0.086 2.288) 2.312 17.429 ( 2.472 -2.857 3.301) 5.016 19.843 ( 4.634 -5.027 -0.607) 6.864 20.095 ( 3.297 -8.198 -9.843) 13.227 20.637 ( -1.543 10.378 3.252) 10.985 20.886 ( 1.187 8.366 -1.097) 8.521 22.258 ( -4.821 -10.404 5.730) 12.819 22.565 ( 1.923 -11.005 -1.601) 11.286 22.986 ( -3.469 7.959 2.848) 9.138 23.364 ( 1.288 7.805 -2.515) 8.301 27.302 ( 0.777 -17.894 1.600) 17.982 27.745 ( -12.403 -26.975 -17.358) 34.392 28.984 ( -2.116 20.412 0.222) 20.523 29.098 ( 9.746 18.539 3.552) 21.244 30.809 ( -1.312 -4.918 0.375) 5.103 30.897 ( -6.338 -6.797 -0.067) 9.294 30.976 ( -3.430 -9.115 -0.620) 9.759 31.330 ( 1.683 -2.354 1.490) 3.255 31.511 ( -3.216 2.551 -4.292) 5.939 31.747 ( 2.200 10.800 0.766) 11.048 31.862 ( 2.081 0.236 -0.447) 2.142 32.508 ( 20.217 -2.045 -3.871) 20.685 32.963 ( 26.447 2.583 -4.629) 26.973 32.996 ( 2.717 -10.743 1.133) 11.139 33.439 ( -3.881 3.964 0.153) 5.550 33.924 ( 1.325 7.744 -2.822) 8.348 35.366 ( -1.678 -1.279 2.638) 3.378 35.487 ( -0.064 -1.133 0.818) 1.398 35.585 ( -3.813 -2.294 4.986) 6.683 35.963 ( 1.854 -0.035 -3.042) 3.562 36.266 ( -3.348 1.330 -2.122) 4.181 36.399 ( -3.670 -2.707 3.252) 5.601 37.241 ( -27.250 -2.785 8.948) 28.817 38.323 ( 11.822 13.610 1.592) 18.097 ======================= Grid point 72 (25/114) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 6.557 -17.070 5.871) 19.205 2.002 ( 4.919 -17.231 0.429) 17.925 2.372 ( 5.994 0.847 2.086) 6.403 2.396 ( 8.955 -6.991 -5.842) 12.775 2.631 ( 3.268 -6.753 3.637) 8.337 2.771 ( -4.473 6.524 -2.085) 8.181 3.219 ( 2.440 -9.072 -2.324) 9.678 3.335 ( 0.913 2.893 -0.936) 3.175 3.440 ( -2.967 7.823 5.567) 10.050 3.485 ( 0.121 -5.397 1.042) 5.498 3.645 ( 8.057 1.840 0.564) 8.283 3.702 ( 0.432 4.737 -10.136) 11.196 3.789 ( 1.785 2.422 2.463) 3.888 3.984 ( -1.917 -3.852 -0.467) 4.327 4.090 ( -11.450 4.485 5.035) 13.288 4.254 ( -1.592 -2.080 4.459) 5.172 4.411 ( 5.180 -2.293 2.973) 6.398 4.740 ( -0.640 1.164 -0.361) 1.377 4.773 ( -4.582 -2.347 -4.906) 7.111 5.125 ( -2.556 2.583 -7.171) 8.039 5.150 ( -1.010 0.860 0.812) 1.555 5.205 ( -2.216 -2.400 -4.374) 5.459 5.418 ( -2.009 -0.697 -1.962) 2.894 5.602 ( 0.146 10.198 0.763) 10.228 5.759 ( -1.843 2.209 2.122) 3.574 5.836 ( 2.692 -5.034 3.597) 6.748 6.056 ( 5.797 2.604 3.953) 7.484 6.261 ( -1.338 2.679 2.363) 3.814 6.288 ( -4.355 -0.586 -1.855) 4.770 6.519 ( -1.620 1.303 0.625) 2.171 7.811 ( 0.279 -0.925 -0.586) 1.130 7.977 ( 2.405 -1.486 0.140) 2.830 8.109 ( 1.943 1.183 0.131) 2.278 8.342 ( -3.089 -0.975 -3.668) 4.893 8.905 ( 2.141 -3.164 2.038) 4.330 9.032 ( -2.000 1.000 -5.149) 5.614 9.154 ( 2.174 2.821 2.943) 4.620 9.336 ( 1.114 0.638 -2.444) 2.761 9.482 ( -4.139 0.226 0.240) 4.152 9.523 ( 0.410 2.558 -3.497) 4.352 9.769 ( 5.594 -1.590 8.765) 10.519 9.859 ( 3.274 9.674 0.279) 10.216 10.202 ( 0.179 -6.652 7.554) 10.067 10.275 ( -6.081 -1.242 -3.546) 7.148 10.341 ( -0.442 4.941 -0.493) 4.985 10.640 ( 4.431 6.278 -0.307) 7.690 10.996 ( -2.976 1.202 1.688) 3.626 11.228 ( 4.108 -2.126 0.334) 4.637 11.340 ( 0.342 -1.789 1.158) 2.158 11.538 ( 1.374 2.469 -2.992) 4.116 11.793 ( 0.616 5.490 5.483) 7.783 11.949 ( 2.001 -2.108 2.840) 4.064 12.272 ( 0.443 -5.290 -0.925) 5.388 12.326 ( -2.397 -4.481 -3.905) 6.409 12.340 ( 0.734 4.286 -0.791) 4.420 12.465 ( -2.886 2.557 -3.992) 5.551 12.705 ( -1.646 7.417 0.145) 7.599 12.794 ( 0.524 4.653 1.988) 5.087 13.276 ( -0.641 -1.109 0.422) 1.349 13.558 ( 1.069 -2.117 -1.679) 2.906 13.817 ( -1.202 -0.394 2.914) 3.177 13.902 ( -6.092 -7.707 -0.714) 9.850 14.349 ( 6.020 10.241 3.221) 12.308 14.568 ( -0.542 -4.679 -5.509) 7.248 15.115 ( -1.956 -5.026 4.194) 6.832 15.269 ( -2.706 -5.561 -1.347) 6.329 15.481 ( 0.253 -2.498 2.007) 3.214 15.612 ( -2.499 7.818 -2.485) 8.576 15.935 ( -2.558 -8.514 -0.600) 8.910 16.211 ( 6.037 -1.140 2.939) 6.810 16.445 ( 1.948 -0.197 2.929) 3.523 16.733 ( -7.126 0.377 -9.887) 12.193 17.078 ( -0.475 -4.483 -0.324) 4.520 17.293 ( 1.124 -4.506 -5.322) 7.063 17.327 ( -1.886 1.587 2.575) 3.564 17.494 ( 1.709 -0.571 3.184) 3.659 19.981 ( 3.357 -7.451 -1.018) 8.235 20.231 ( 4.347 -8.122 -8.123) 12.282 20.462 ( -3.295 8.282 3.439) 9.553 20.734 ( 1.851 8.997 -0.675) 9.210 22.457 ( -3.003 -11.512 4.645) 12.772 22.710 ( -0.391 -0.560 -1.452) 1.605 22.878 ( -1.639 -1.243 1.994) 2.865 23.203 ( 1.993 10.210 -1.969) 10.587 27.692 ( 1.656 -22.598 3.314) 22.900 28.000 ( -10.335 -21.539 -12.275) 26.859 28.558 ( -4.067 23.242 -1.480) 23.642 28.886 ( 13.769 17.846 4.854) 23.058 30.886 ( -3.512 -6.033 0.794) 7.026 30.968 ( -4.134 -4.858 -0.012) 6.379 31.122 ( -2.110 -8.437 0.734) 8.728 31.373 ( -0.398 0.666 -0.766) 1.090 31.447 ( 0.721 0.268 0.185) 0.791 31.588 ( 1.279 8.578 1.664) 8.831 31.845 ( -3.405 -0.954 -7.498) 8.290 32.613 ( 18.531 4.581 -4.527) 19.618 33.055 ( 9.729 0.260 -0.571) 9.749 33.219 ( 2.446 -11.084 0.171) 11.352 33.340 ( -3.230 3.741 0.595) 4.978 33.756 ( -0.331 9.534 -2.194) 9.788 35.389 ( -2.014 -1.077 2.787) 3.603 35.511 ( -0.610 -1.100 0.862) 1.525 35.623 ( -4.215 -1.780 5.765) 7.360 35.976 ( 3.045 -1.080 -3.152) 4.514 36.223 ( -1.539 0.231 0.198) 1.569 36.391 ( -7.866 1.779 9.156) 12.201 37.267 ( -10.477 -12.604 -3.786) 16.821 38.141 ( 9.767 15.966 0.435) 18.722 ======================= Grid point 73 (26/114) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( -12.047 -1.345 -7.338) 14.170 2.106 ( -4.194 9.823 0.534) 10.694 2.394 ( 3.243 0.403 1.014) 3.421 2.481 ( 3.047 -1.238 -1.178) 3.493 2.678 ( 0.262 -7.627 1.229) 7.729 2.874 ( -1.508 -12.080 -4.036) 12.825 3.110 ( -0.548 12.284 1.537) 12.392 3.299 ( -1.790 8.561 -1.119) 8.817 3.426 ( 2.467 4.475 -1.741) 5.398 3.479 ( 3.023 -7.496 0.663) 8.110 3.558 ( 4.311 3.539 -5.385) 7.753 3.675 ( 5.521 5.547 2.458) 8.203 3.808 ( 7.166 4.619 -4.528) 9.654 3.866 ( -7.949 8.712 3.798) 12.390 4.044 ( -0.862 -2.748 -3.331) 4.403 4.388 ( 3.495 -4.407 6.692) 8.742 4.472 ( -3.444 -2.124 6.519) 7.673 4.712 ( 1.179 0.946 -3.160) 3.502 4.780 ( 1.401 -3.751 -3.223) 5.140 4.932 ( -1.365 2.726 -3.635) 4.745 5.199 ( -3.039 -1.606 -2.590) 4.304 5.300 ( 6.791 -4.464 1.494) 8.262 5.449 ( -3.695 -7.041 -0.856) 7.997 5.516 ( -2.053 0.169 -0.259) 2.076 5.733 ( -1.075 1.420 3.354) 3.798 5.913 ( 1.675 1.944 -0.522) 2.619 5.991 ( -6.129 2.009 1.963) 6.742 6.196 ( -2.496 0.415 3.916) 4.662 6.403 ( 10.005 -3.046 0.715) 10.482 6.481 ( 0.778 2.593 1.220) 2.970 7.823 ( 0.153 -0.915 -0.344) 0.989 7.940 ( -11.244 -1.037 -4.507) 12.158 8.107 ( 1.458 0.614 -1.080) 1.916 8.400 ( 6.808 -2.613 2.670) 7.765 8.967 ( -1.637 1.656 -3.052) 3.839 9.015 ( -0.127 -5.037 0.666) 5.083 9.126 ( 1.020 2.521 3.416) 4.367 9.324 ( 1.586 0.320 -2.159) 2.698 9.443 ( -1.962 2.011 -0.996) 2.981 9.510 ( 0.043 -2.243 -1.571) 2.739 9.750 ( 4.042 5.081 2.789) 7.066 9.890 ( 3.257 -2.428 9.276) 10.126 10.128 ( -4.555 5.503 -7.356) 10.254 10.276 ( -2.502 1.882 -0.951) 3.272 10.347 ( 0.079 -3.482 2.472) 4.271 10.566 ( 2.438 2.869 -2.603) 4.577 10.982 ( -2.599 -0.862 2.618) 3.789 11.307 ( 0.241 -3.229 1.757) 3.684 11.361 ( -0.161 1.445 2.479) 2.874 11.485 ( 1.165 1.793 -3.611) 4.197 11.715 ( -1.922 4.145 0.819) 4.642 11.919 ( 2.951 6.998 -1.770) 7.798 12.264 ( -1.227 0.470 -2.364) 2.705 12.328 ( -5.905 -2.251 -1.484) 6.492 12.402 ( 4.270 -6.987 -0.221) 8.191 12.573 ( 4.279 -10.755 0.025) 11.575 12.631 ( 2.288 2.458 2.202) 4.016 12.675 ( -0.510 8.695 2.139) 8.969 13.301 ( -1.225 -1.559 1.227) 2.332 13.605 ( 1.954 -1.339 1.103) 2.613 13.775 ( -1.135 4.542 -1.176) 4.827 13.886 ( -7.457 -1.041 -7.130) 10.370 14.252 ( -1.393 4.318 1.849) 4.899 14.658 ( 0.884 -4.987 -1.285) 5.225 15.172 ( -1.308 0.706 4.600) 4.834 15.379 ( -0.472 -6.377 -3.217) 7.158 15.387 ( 0.506 4.112 0.308) 4.155 15.562 ( 4.252 2.420 3.947) 6.286 16.053 ( -3.072 -5.323 -0.943) 6.218 16.198 ( 0.217 3.529 3.346) 4.868 16.393 ( -6.272 5.989 -5.405) 10.219 16.788 ( 9.591 -7.979 0.252) 12.479 17.134 ( 0.043 -1.774 -1.160) 2.120 17.281 ( 2.036 3.346 1.553) 4.213 17.343 ( -3.668 -3.555 -2.669) 5.763 17.517 ( 0.220 0.523 2.931) 2.986 20.144 ( 2.301 -8.687 -1.700) 9.145 20.209 ( -0.818 8.596 -0.239) 8.638 20.474 ( 0.616 -9.277 -2.380) 9.597 20.597 ( 1.543 6.770 -0.332) 6.952 22.565 ( -1.849 11.200 2.229) 11.568 22.668 ( -1.122 -10.763 3.310) 11.316 22.986 ( 1.472 4.007 -2.189) 4.798 23.041 ( 1.030 -2.422 -1.033) 2.828 28.056 ( -1.422 11.524 1.778) 11.746 28.171 ( -1.232 -9.031 -0.248) 9.118 28.242 ( -5.360 -19.064 -5.772) 20.627 28.746 ( 15.492 12.346 3.777) 20.167 30.972 ( -4.202 -2.222 1.973) 5.146 30.987 ( -1.461 -2.543 1.256) 3.190 31.217 ( 0.288 -0.066 -0.612) 0.680 31.331 ( 0.124 -0.140 0.153) 0.241 31.455 ( -0.629 0.734 -1.889) 2.121 31.521 ( -0.405 0.942 5.612) 5.705 31.763 ( -6.107 -1.482 -13.826) 15.188 32.576 ( 14.552 9.761 -7.209) 18.947 33.085 ( -0.987 1.795 0.666) 2.155 33.273 ( -1.990 0.375 0.918) 2.224 33.406 ( 2.972 -3.288 -0.744) 4.494 33.603 ( 0.113 2.068 -1.630) 2.636 35.399 ( -2.484 -0.157 2.741) 3.703 35.518 ( -1.010 0.274 1.055) 1.486 35.641 ( -3.824 -0.212 5.212) 6.468 36.003 ( 2.418 -1.200 -2.916) 3.974 36.244 ( -0.447 -2.268 3.116) 3.880 36.350 ( -7.441 1.612 10.133) 12.675 37.417 ( -1.468 -10.098 -4.899) 11.319 37.951 ( 6.040 9.767 -2.365) 11.725 ======================= Grid point 74 (27/114) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -23.297 16.096 -0.385) 28.320 1.743 ( -15.235 18.817 -8.004) 25.500 2.342 ( -1.779 4.734 2.445) 5.617 2.566 ( 7.669 6.345 6.191) 11.722 2.735 ( 6.477 9.309 0.853) 11.373 2.832 ( -5.124 5.655 -1.536) 7.784 2.893 ( -9.450 10.004 -9.350) 16.637 3.226 ( -5.676 2.794 -6.684) 9.204 3.285 ( -2.404 11.972 -0.372) 12.217 3.490 ( 2.967 1.690 -6.601) 7.432 3.520 ( 8.270 -4.037 0.189) 9.205 3.633 ( 6.742 5.331 1.261) 8.687 3.728 ( 4.615 -7.861 -0.363) 9.123 3.960 ( 2.687 -5.625 5.383) 8.237 4.078 ( 2.514 -2.484 -3.846) 5.223 4.444 ( -2.299 -3.236 4.228) 5.800 4.633 ( -0.326 -8.418 6.213) 10.467 4.738 ( 0.735 -0.660 0.643) 1.179 4.841 ( 5.062 -0.476 0.086) 5.085 4.985 ( 7.242 -8.532 1.351) 11.272 5.220 ( -0.504 -4.326 -3.014) 5.296 5.363 ( 6.657 2.387 -1.397) 7.209 5.461 ( -6.985 0.287 -6.661) 9.657 5.604 ( -1.144 -8.145 1.821) 8.424 5.732 ( -0.881 -0.569 4.133) 4.264 5.795 ( -1.828 9.486 -0.526) 9.675 5.924 ( -7.601 1.944 3.356) 8.534 6.260 ( 1.846 -4.293 2.046) 5.101 6.398 ( 1.903 3.707 -2.781) 5.010 6.556 ( 10.078 -0.597 2.786) 10.473 7.833 ( -11.971 -0.189 -3.690) 12.528 7.865 ( 2.804 -2.128 1.600) 3.867 8.104 ( -2.798 -2.100 -1.768) 3.919 8.477 ( 4.213 0.722 0.946) 4.378 8.906 ( -1.867 2.580 -1.350) 3.459 9.040 ( -1.296 -0.209 -0.457) 1.390 9.180 ( 1.168 -2.536 6.560) 7.130 9.314 ( 1.718 1.272 -2.564) 3.338 9.393 ( -5.686 0.389 -0.430) 5.715 9.524 ( 4.279 0.776 0.105) 4.350 9.754 ( 0.626 -0.169 -1.295) 1.448 9.984 ( 1.321 4.158 -2.112) 4.847 10.056 ( 2.867 -7.732 8.401) 11.772 10.175 ( -2.448 5.619 -3.007) 6.826 10.370 ( -4.245 -1.919 -2.424) 5.251 10.597 ( 1.831 -5.398 -1.165) 5.818 11.019 ( -3.177 -4.111 2.849) 5.925 11.303 ( -3.148 2.607 3.190) 5.185 11.379 ( 0.306 -2.383 1.162) 2.669 11.460 ( 1.219 0.775 -1.716) 2.243 11.632 ( -0.919 3.299 -2.538) 4.262 11.794 ( 2.372 6.579 -0.786) 7.037 12.263 ( 1.501 0.156 -3.223) 3.559 12.334 ( -3.295 -2.105 0.855) 4.002 12.472 ( -2.124 8.624 1.286) 8.974 12.575 ( 4.696 -7.858 -2.000) 9.370 12.698 ( 1.752 -3.663 0.868) 4.152 12.810 ( 5.438 -9.013 2.317) 10.778 13.311 ( -2.893 -0.404 2.746) 4.009 13.599 ( -0.782 5.701 -1.335) 5.907 13.667 ( 2.300 2.373 -0.307) 3.319 13.858 ( -0.143 -2.249 -3.500) 4.162 14.165 ( -8.307 1.214 -2.520) 8.765 14.664 ( -2.128 2.412 -1.029) 3.377 15.079 ( -2.721 7.898 0.528) 8.370 15.402 ( 9.023 0.818 4.011) 9.908 15.496 ( 3.108 -1.068 -0.045) 3.287 15.619 ( 2.241 -7.221 0.900) 7.614 15.961 ( -5.363 9.068 -0.349) 10.541 16.116 ( -6.475 7.048 0.100) 9.571 16.336 ( 1.206 -7.580 -1.410) 7.803 16.999 ( 13.202 -2.899 -0.275) 13.519 17.129 ( 1.980 1.400 0.958) 2.608 17.259 ( 1.194 1.275 -0.777) 1.912 17.334 ( -4.032 -0.114 -1.932) 4.472 17.511 ( -0.699 1.495 1.032) 1.947 20.026 ( -3.498 8.769 0.233) 9.443 20.271 ( 4.203 -1.826 -5.968) 7.524 20.507 ( -1.222 -0.969 2.666) 3.088 20.686 ( 1.322 -11.489 -2.098) 11.754 22.345 ( -1.764 13.016 3.608) 13.621 22.759 ( 2.036 10.796 -3.754) 11.610 22.890 ( 0.324 -7.292 5.272) 9.004 23.209 ( 1.697 -10.204 -1.838) 10.506 27.647 ( -2.358 21.771 -0.099) 21.899 28.362 ( 12.781 0.726 0.495) 12.812 28.607 ( -1.192 -21.034 0.757) 21.081 28.776 ( 6.305 -6.925 -0.956) 9.414 30.897 ( -2.612 5.602 -0.892) 6.245 31.047 ( -2.529 -0.229 3.204) 4.088 31.137 ( 1.375 5.934 1.159) 6.201 31.275 ( -6.703 5.880 -5.983) 10.738 31.497 ( 0.955 -6.181 1.199) 6.368 31.572 ( -1.631 -5.190 3.816) 6.645 31.689 ( -2.314 -2.648 -12.376) 12.866 32.424 ( 9.763 11.903 -10.333) 18.541 32.971 ( -5.938 6.516 -2.020) 9.044 33.204 ( -1.178 9.157 -0.027) 9.233 33.413 ( -0.661 -3.071 1.829) 3.635 33.722 ( 4.641 -9.092 -2.604) 10.535 35.387 ( -2.595 0.847 2.475) 3.684 35.499 ( -0.820 1.589 1.055) 2.076 35.630 ( -3.051 1.268 3.978) 5.171 36.016 ( 0.771 -0.597 -2.868) 3.030 36.321 ( -0.134 -3.964 3.569) 5.336 36.346 ( -6.282 -0.305 11.313) 12.944 37.482 ( 3.072 3.141 5.298) 6.883 37.933 ( 1.980 -7.924 -8.161) 11.546 ======================= Grid point 75 (28/114) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -20.942 21.361 -5.077) 30.342 1.236 ( -18.732 21.409 12.194) 30.950 2.048 ( 0.018 45.970 9.150) 46.871 2.326 ( -9.883 -0.289 1.564) 10.010 2.595 ( -4.069 10.586 -7.578) 13.640 2.635 ( 4.027 4.348 -2.159) 6.308 2.785 ( -1.088 10.956 1.655) 11.134 2.906 ( -0.396 -7.488 -4.265) 8.626 3.441 ( 2.962 -6.374 -3.440) 7.825 3.477 ( -1.422 -3.078 2.101) 3.989 3.616 ( 4.265 1.811 3.002) 5.521 3.713 ( 10.227 -4.919 -1.706) 11.476 3.855 ( 1.485 -4.461 -4.331) 6.392 4.071 ( 1.349 -3.108 -0.291) 3.401 4.108 ( 2.159 -1.400 -2.323) 3.467 4.555 ( 2.366 -4.904 2.341) 5.927 4.688 ( -5.804 2.875 3.610) 7.415 4.790 ( -0.689 -7.764 -2.686) 8.244 4.942 ( 7.634 -3.452 2.072) 8.631 5.183 ( 4.382 6.604 0.852) 7.971 5.257 ( 0.139 -1.821 -7.432) 7.653 5.333 ( 1.794 -2.322 -0.846) 3.053 5.387 ( 2.909 0.844 4.874) 5.738 5.558 ( -3.685 8.779 1.065) 9.581 5.721 ( -0.317 -3.419 -0.009) 3.433 5.798 ( -6.035 -6.149 0.916) 8.665 5.869 ( 0.344 1.257 3.148) 3.407 6.305 ( 1.618 2.144 -2.949) 3.988 6.394 ( 1.430 -3.857 1.720) 4.458 6.629 ( 7.587 1.209 0.911) 7.737 7.724 ( -10.098 0.181 -2.439) 10.390 7.969 ( 5.796 -3.973 3.764) 7.972 8.128 ( -6.427 -5.486 -1.078) 8.518 8.459 ( -1.375 2.359 -2.378) 3.621 8.845 ( -0.512 1.856 3.628) 4.107 9.041 ( -0.913 -0.579 0.567) 1.221 9.207 ( 0.063 4.894 1.647) 5.165 9.272 ( -1.278 2.546 -1.282) 3.124 9.359 ( -2.002 -1.864 2.910) 3.994 9.586 ( 4.812 -2.755 0.165) 5.547 9.733 ( 3.557 1.684 -2.501) 4.663 9.899 ( -1.565 5.214 -3.183) 6.307 10.061 ( -3.970 1.328 0.144) 4.189 10.297 ( 0.509 -9.353 8.272) 12.496 10.350 ( -6.543 -2.283 -3.134) 7.606 10.743 ( 3.811 -8.815 -1.360) 9.699 11.113 ( -2.583 -7.119 2.608) 8.010 11.274 ( -1.620 0.155 3.389) 3.760 11.426 ( -0.436 -1.886 -1.744) 2.606 11.458 ( 1.025 -0.030 4.585) 4.698 11.568 ( 1.321 1.948 -3.161) 3.941 11.732 ( 2.734 3.865 2.454) 5.333 12.171 ( -0.380 7.451 -0.953) 7.521 12.331 ( -3.378 -1.641 0.538) 3.794 12.437 ( -0.807 -3.556 -0.765) 3.726 12.677 ( 2.762 0.750 -2.901) 4.074 12.781 ( 0.701 -6.483 -2.526) 6.992 12.982 ( 4.546 -4.507 -0.228) 6.405 13.314 ( -5.002 -0.180 4.855) 6.973 13.516 ( 1.809 0.738 -0.430) 2.000 13.634 ( 0.449 2.707 -2.785) 3.910 13.890 ( 7.310 4.224 3.457) 9.123 14.085 ( -8.987 -4.747 -4.413) 11.081 14.596 ( -0.903 2.156 -0.281) 2.354 14.920 ( -2.195 7.909 1.596) 8.361 15.375 ( 7.802 9.748 3.850) 13.066 15.448 ( -1.250 9.787 -3.937) 10.623 15.756 ( -5.498 7.180 -0.827) 9.081 15.790 ( 5.705 -6.369 -4.515) 9.669 16.054 ( -2.304 -5.274 5.009) 7.630 16.505 ( 1.637 -9.057 -0.384) 9.212 17.023 ( 5.918 4.543 -1.520) 7.614 17.170 ( 7.569 2.917 -0.098) 8.112 17.243 ( 6.230 1.554 -5.427) 8.407 17.267 ( -3.275 3.227 -0.684) 4.648 17.439 ( -0.300 5.754 -5.506) 7.969 19.857 ( -3.809 6.508 -0.937) 7.599 20.199 ( 3.786 6.015 -7.484) 10.321 20.630 ( -2.594 -10.077 2.761) 10.766 20.882 ( 0.742 -9.994 -1.034) 10.075 22.145 ( -1.161 10.660 7.760) 13.236 22.536 ( 1.961 12.276 -2.794) 12.742 23.062 ( 0.252 -7.176 3.667) 8.062 23.385 ( 2.672 -8.469 -2.185) 9.145 27.285 ( -0.945 17.002 0.150) 17.029 28.365 ( 34.809 18.562 -6.534) 39.986 28.915 ( -5.458 -18.705 -5.129) 20.149 29.043 ( -3.107 -18.767 -0.101) 19.023 30.691 ( -10.722 10.038 -8.751) 17.097 30.974 ( -0.695 5.707 0.381) 5.762 31.052 ( 0.083 7.045 -4.311) 8.259 31.075 ( -4.139 6.952 5.752) 9.927 31.605 ( 2.963 -2.142 -0.770) 3.736 31.670 ( -0.506 -4.963 -3.396) 6.035 31.750 ( -1.239 -11.422 0.637) 11.506 32.188 ( 9.018 15.058 -14.586) 22.821 32.767 ( -6.327 8.776 -3.026) 11.234 32.992 ( -2.601 11.926 0.282) 12.210 33.496 ( -0.128 -4.378 1.000) 4.493 33.893 ( 4.790 -7.262 -2.850) 9.154 35.361 ( -2.006 1.388 2.124) 3.235 35.471 ( -0.489 1.288 0.915) 1.654 35.599 ( -2.591 1.814 2.905) 4.295 36.010 ( 0.151 -0.503 -3.068) 3.113 36.360 ( -1.886 1.834 7.030) 7.506 36.408 ( -3.010 -4.186 2.869) 5.900 37.541 ( -6.226 -6.807 23.089) 24.864 38.100 ( 4.215 -11.526 -8.357) 14.848 ======================= Grid point 76 (29/114) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -6.122 20.703 15.763) 26.731 0.836 ( -16.231 19.071 21.170) 32.792 1.264 ( -2.683 42.930 27.036) 50.805 2.185 ( -9.922 4.754 3.039) 11.414 2.451 ( 6.494 8.262 2.845) 10.887 2.629 ( 4.675 -0.364 -0.016) 4.689 2.779 ( -2.724 -10.498 0.866) 10.880 3.085 ( 1.494 -13.299 -7.019) 15.111 3.492 ( 0.757 -0.368 4.874) 4.947 3.529 ( 2.629 0.449 -4.084) 4.878 3.644 ( 0.992 1.737 -1.456) 2.474 3.767 ( 4.984 2.520 -9.354) 10.894 3.867 ( -1.022 -0.030 -4.847) 4.953 4.061 ( -4.602 0.404 1.861) 4.980 4.191 ( 6.499 -5.085 -6.118) 10.273 4.565 ( -1.408 4.996 -1.679) 5.455 4.596 ( -7.663 3.047 -0.057) 8.247 4.847 ( -0.406 -1.766 -4.142) 4.521 4.954 ( 3.970 10.496 4.335) 12.030 5.112 ( 7.032 -0.894 -6.383) 9.539 5.269 ( 3.257 -0.359 -1.508) 3.607 5.304 ( -7.622 -4.100 5.763) 10.398 5.407 ( -2.799 -1.006 0.910) 3.111 5.592 ( -5.459 -3.929 -1.896) 6.988 5.756 ( 4.331 -5.162 1.804) 6.975 5.883 ( -0.632 -4.805 6.282) 7.934 5.941 ( 6.324 -0.661 6.453) 9.059 6.264 ( 1.761 1.922 -1.199) 2.870 6.490 ( 0.421 -4.303 1.478) 4.569 6.640 ( 2.496 2.193 0.387) 3.345 7.659 ( -4.070 0.457 0.682) 4.152 8.132 ( 3.894 -7.375 2.750) 8.782 8.158 ( -15.384 -5.849 -3.475) 16.821 8.360 ( -1.541 2.860 -4.801) 5.797 8.933 ( 4.005 -5.144 12.232) 13.861 9.037 ( -0.844 1.704 2.325) 3.003 9.103 ( 1.117 3.498 -1.094) 3.832 9.219 ( 0.973 1.956 -0.098) 2.186 9.411 ( -1.409 -1.328 6.450) 6.734 9.689 ( 8.097 -2.864 3.058) 9.117 9.711 ( 4.785 3.737 -1.693) 6.303 9.805 ( -1.896 -0.354 -0.973) 2.160 10.021 ( -7.304 -0.341 0.007) 7.312 10.314 ( -4.232 -0.967 -4.066) 5.948 10.448 ( -4.119 -4.530 5.887) 8.494 10.936 ( 2.340 -10.676 -2.970) 11.326 11.241 ( -2.056 -6.584 2.917) 7.489 11.318 ( -4.479 -5.089 2.094) 7.096 11.366 ( -0.912 7.052 -3.403) 7.883 11.537 ( 2.974 -2.943 6.264) 7.533 11.577 ( 1.287 -3.470 -0.271) 3.711 11.731 ( 4.101 -1.052 10.818) 11.617 12.087 ( -0.857 0.395 -0.145) 0.955 12.370 ( -2.201 -3.770 3.470) 5.577 12.486 ( 0.912 -1.704 -0.774) 2.082 12.613 ( 0.314 3.994 -3.295) 5.188 12.883 ( 1.919 -5.202 -4.108) 6.901 13.007 ( 2.101 2.309 -4.448) 5.434 13.300 ( -4.916 -0.169 6.965) 8.527 13.559 ( 2.337 1.478 -3.040) 4.110 13.595 ( 0.342 -3.954 -0.441) 3.993 13.807 ( -0.064 7.172 -0.999) 7.242 14.217 ( 8.127 -8.788 7.396) 14.070 14.588 ( 0.232 -1.600 -0.243) 1.634 14.775 ( -1.970 8.639 2.821) 9.299 15.193 ( -2.099 10.892 -2.354) 11.340 15.280 ( 5.421 7.778 2.022) 9.694 15.587 ( -6.217 5.918 -2.617) 8.974 15.784 ( 18.637 17.864 -20.163) 32.757 16.200 ( -1.100 -4.519 1.760) 4.973 16.644 ( 0.599 -5.025 -1.526) 5.285 16.948 ( 11.772 20.838 -19.587) 30.927 17.004 ( 6.505 11.946 -8.732) 16.164 17.125 ( 2.716 3.667 -2.927) 5.421 17.200 ( 1.099 3.685 -0.034) 3.846 17.339 ( -3.943 1.354 5.780) 7.127 19.733 ( -1.773 3.961 -1.730) 4.672 20.106 ( -0.544 0.906 -4.971) 5.082 20.803 ( -1.856 -9.043 1.587) 9.367 21.030 ( -0.803 -6.800 -0.178) 6.849 22.084 ( -0.021 0.512 11.982) 11.992 22.347 ( 2.421 8.574 -1.825) 9.094 23.169 ( -2.611 -4.048 1.538) 5.057 23.502 ( 2.323 -3.299 -3.819) 5.555 27.042 ( -0.142 9.552 0.121) 9.554 27.886 ( 18.170 53.187 -48.674) 74.351 29.162 ( -4.441 -16.187 -1.009) 16.815 29.338 ( 0.011 -13.174 2.729) 13.454 30.439 ( 19.446 8.571 11.368) 24.101 30.879 ( 2.150 6.912 3.460) 8.023 30.933 ( -1.906 4.063 -0.230) 4.494 30.951 ( 1.622 7.698 2.565) 8.275 31.601 ( 7.467 3.323 -3.835) 9.028 31.770 ( -4.757 -1.696 -7.717) 9.222 31.870 ( 9.688 12.654 -1.609) 16.018 31.956 ( 1.516 -7.620 -1.001) 7.834 32.560 ( -3.600 8.091 1.028) 8.915 32.772 ( -1.073 10.471 1.416) 10.621 33.558 ( -0.711 -2.419 -0.073) 2.522 34.013 ( 4.171 -3.995 -2.825) 6.430 35.337 ( -1.202 1.093 2.067) 2.629 35.465 ( -0.061 -0.444 0.334) 0.559 35.565 ( -2.555 1.311 2.297) 3.677 36.016 ( 0.412 -2.297 -2.630) 3.516 36.288 ( 0.369 7.759 -0.134) 7.769 36.448 ( -2.886 -2.293 -1.159) 3.864 38.006 ( -27.520 -40.333 30.617) 57.633 38.290 ( 5.104 -9.877 -3.027) 11.522 ======================= Grid point 78 (30/114) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 12.016 0.000 25.439) 28.135 1.154 ( 17.356 0.000 27.940) 32.892 1.943 ( 28.300 0.000 33.412) 43.787 2.318 ( 19.486 0.000 -5.589) 20.272 2.499 ( -7.581 -0.000 5.813) 9.554 2.835 ( 1.954 0.000 5.603) 5.934 2.897 ( 1.688 0.000 2.413) 2.945 3.058 ( 0.928 0.000 -23.962) 23.980 3.179 ( -3.898 -0.000 -10.681) 11.370 3.454 ( 1.679 0.000 -6.014) 6.244 3.646 ( -4.965 -0.000 -4.528) 6.720 3.669 ( 4.312 0.000 4.571) 6.284 3.844 ( 0.445 0.000 8.185) 8.197 4.038 ( -6.230 -0.000 3.658) 7.225 4.157 ( -3.067 -0.000 -9.619) 10.097 4.379 ( 1.466 0.000 -3.260) 3.574 4.460 ( -15.091 -0.000 3.672) 15.532 4.755 ( -0.132 -0.000 -6.167) 6.168 5.013 ( 0.567 0.000 -6.314) 6.340 5.036 ( -4.068 -0.000 -4.579) 6.125 5.108 ( -7.086 -0.000 6.756) 9.791 5.186 ( 0.919 0.000 5.879) 5.951 5.489 ( 2.018 0.000 9.399) 9.613 5.507 ( 1.109 0.000 -2.572) 2.801 5.957 ( -4.257 -0.000 -2.656) 5.017 6.041 ( -2.584 -0.000 4.922) 5.559 6.093 ( -0.731 -0.000 5.161) 5.213 6.307 ( 3.334 0.000 -0.814) 3.432 6.503 ( -7.205 -0.000 1.574) 7.375 6.565 ( -0.188 -0.000 2.090) 2.098 7.822 ( -5.730 -0.000 -3.251) 6.588 7.831 ( 10.582 0.000 2.725) 10.927 8.214 ( 1.888 0.000 -0.399) 1.930 8.370 ( 2.538 0.000 -3.898) 4.651 9.025 ( -2.886 -0.000 2.891) 4.085 9.191 ( 6.521 0.000 2.524) 6.992 9.205 ( 1.910 0.000 4.157) 4.575 9.262 ( 6.339 0.000 2.102) 6.678 9.523 ( 0.245 0.000 4.699) 4.705 9.560 ( -15.581 -0.000 -3.723) 16.020 9.756 ( -0.176 -0.000 -9.758) 9.760 9.777 ( 2.145 0.000 4.439) 4.930 10.158 ( 8.621 0.000 3.741) 9.398 10.183 ( -2.908 -0.000 -6.950) 7.534 10.518 ( 1.530 0.000 3.762) 4.062 10.967 ( 4.230 0.000 -4.025) 5.839 11.097 ( -10.423 -0.000 1.731) 10.566 11.257 ( -3.207 -0.000 -3.658) 4.865 11.359 ( 1.494 0.000 1.447) 2.080 11.599 ( 4.004 0.000 -0.385) 4.023 11.671 ( 4.283 0.000 4.242) 6.028 11.891 ( -1.568 -0.000 -5.947) 6.150 12.343 ( 3.228 0.000 12.748) 13.151 12.503 ( -0.845 -0.000 -1.029) 1.332 12.581 ( -1.607 -0.000 3.662) 3.999 12.631 ( 4.169 0.000 0.240) 4.176 12.898 ( 0.764 0.000 -1.776) 1.934 13.007 ( 7.568 0.000 -10.880) 13.253 13.316 ( -7.044 -0.000 4.563) 8.392 13.485 ( -3.116 -0.000 -1.926) 3.663 13.614 ( -3.706 -0.000 -2.476) 4.457 13.653 ( 0.478 0.000 1.242) 1.331 14.535 ( 0.644 0.000 -3.850) 3.903 14.566 ( -0.782 -0.000 -3.058) 3.156 14.843 ( -4.996 -0.000 3.446) 6.069 15.037 ( 0.202 0.000 -1.758) 1.769 15.161 ( -1.739 -0.000 0.594) 1.837 15.285 ( 0.133 0.000 0.482) 0.500 15.779 ( -11.518 -0.000 -9.607) 14.998 16.122 ( 23.115 0.000 -5.677) 23.802 16.703 ( -1.328 -0.000 1.962) 2.369 16.750 ( -2.191 -0.000 2.540) 3.355 16.927 ( -2.249 -0.000 -0.552) 2.316 17.070 ( -0.544 -0.000 -2.776) 2.829 17.269 ( -5.518 -0.000 2.145) 5.920 17.332 ( 6.495 0.000 5.038) 8.220 19.764 ( 7.940 0.000 1.010) 8.004 19.947 ( 0.414 0.000 -8.995) 9.005 20.911 ( 0.683 0.000 1.187) 1.369 21.023 ( -1.838 -0.000 -0.123) 1.842 22.028 ( -8.358 -0.000 3.694) 9.138 22.311 ( 2.746 0.000 -0.257) 2.758 23.229 ( -0.096 -0.000 2.360) 2.361 23.494 ( 0.967 0.000 -1.893) 2.126 26.953 ( -0.081 -0.000 -0.031) 0.087 26.962 ( -0.016 -0.000 -0.192) 0.193 29.461 ( 6.077 0.000 4.056) 7.306 29.473 ( -0.792 -0.000 0.922) 1.216 30.559 ( -11.080 -0.000 -0.306) 11.085 30.792 ( -4.353 -0.000 -2.186) 4.871 30.830 ( -2.808 -0.000 -3.083) 4.170 31.406 ( -2.829 -0.000 -9.631) 10.038 31.408 ( -4.377 -0.000 -0.639) 4.424 32.007 ( 0.714 0.000 -0.602) 0.934 32.019 ( 4.820 0.000 3.629) 6.033 32.306 ( 14.201 0.000 -0.644) 14.216 32.725 ( 0.880 0.000 2.967) 3.095 33.211 ( 78.566 0.000 -35.317) 86.139 33.516 ( -3.825 -0.000 -0.576) 3.868 34.082 ( 4.484 0.000 -4.342) 6.242 35.336 ( -1.567 -0.000 1.998) 2.540 35.488 ( 0.862 0.000 0.145) 0.875 35.536 ( -3.132 -0.000 4.227) 5.261 36.015 ( -0.645 -0.000 -4.281) 4.329 36.137 ( -0.785 -0.000 -0.589) 0.981 36.328 ( -3.100 -0.000 -4.982) 5.868 37.364 ( -64.881 -0.000 28.636) 70.919 38.587 ( 13.569 0.000 3.938) 14.129 ======================= Grid point 79 (31/114) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 10.084 -3.966 21.537) 24.109 1.513 ( 15.710 -7.283 16.730) 24.078 2.362 ( 11.590 2.519 -9.495) 15.193 2.426 ( 23.932 -8.472 22.731) 34.077 2.526 ( -3.709 6.604 2.678) 8.034 2.635 ( 7.630 -2.222 -10.573) 13.227 2.894 ( 3.259 -4.644 4.350) 7.149 3.146 ( 4.021 -2.283 -1.724) 4.935 3.308 ( -3.644 -18.232 -9.773) 21.004 3.487 ( -5.673 -4.630 -7.710) 10.633 3.561 ( 0.376 1.220 -2.296) 2.627 3.748 ( 2.481 -3.010 4.651) 6.070 3.834 ( -1.376 4.959 1.920) 5.493 3.921 ( -7.002 1.920 -10.992) 13.174 4.173 ( -4.528 -1.348 8.541) 9.760 4.331 ( -13.283 1.080 2.032) 13.481 4.360 ( 0.217 1.599 0.408) 1.665 4.721 ( -1.021 0.243 -5.467) 5.567 4.855 ( -5.664 6.353 -2.519) 8.876 5.005 ( -2.111 -1.308 -1.041) 2.693 5.153 ( -3.353 -2.790 0.517) 4.393 5.271 ( 1.426 -1.048 -1.452) 2.289 5.454 ( 5.989 2.381 6.770) 9.347 5.664 ( 2.104 -7.247 3.044) 8.137 5.859 ( -3.724 4.076 -0.972) 5.606 5.992 ( -4.817 6.068 6.209) 9.929 6.064 ( 1.832 2.525 -0.799) 3.220 6.318 ( -1.105 0.431 -2.939) 3.169 6.462 ( -3.208 3.062 3.202) 5.470 6.538 ( -2.191 2.217 2.006) 3.707 7.786 ( -1.204 -0.313 -0.473) 1.331 7.935 ( 8.181 -1.286 2.953) 8.792 8.209 ( 5.112 3.402 0.050) 6.140 8.345 ( -1.200 0.354 -6.101) 6.227 8.957 ( -4.739 4.891 1.494) 6.973 9.152 ( -3.123 5.311 -3.445) 7.059 9.218 ( 4.180 1.770 3.298) 5.611 9.334 ( 4.412 -0.811 1.331) 4.679 9.489 ( -9.638 -5.066 -4.578) 11.811 9.543 ( 0.299 0.743 3.748) 3.833 9.744 ( 5.703 0.387 -0.031) 5.716 9.894 ( 3.744 -6.260 7.695) 10.603 10.111 ( -2.916 0.786 -7.659) 8.233 10.245 ( 5.912 -0.706 3.329) 6.822 10.522 ( 2.221 3.935 2.995) 5.421 10.908 ( 4.403 7.259 0.010) 8.490 11.025 ( -7.022 1.412 2.273) 7.515 11.224 ( -1.954 -1.276 -3.847) 4.500 11.344 ( 4.565 3.401 2.266) 6.127 11.628 ( 5.007 1.390 -1.518) 5.414 11.760 ( 1.475 -3.138 6.539) 7.402 11.876 ( 0.161 -3.300 -3.995) 5.184 12.255 ( 2.290 11.655 7.492) 14.043 12.484 ( -1.327 6.051 2.422) 6.652 12.548 ( 1.377 1.713 0.696) 2.305 12.607 ( -4.883 2.624 -5.725) 7.969 12.848 ( 0.155 3.838 -1.538) 4.138 12.940 ( 0.228 4.666 -7.763) 9.060 13.255 ( -2.198 0.938 2.764) 3.654 13.525 ( -3.919 -4.046 -0.987) 5.718 13.641 ( 0.677 -6.705 2.759) 7.282 13.663 ( -1.878 -0.512 0.208) 1.958 14.518 ( -2.798 1.452 -3.938) 5.044 14.625 ( 4.035 -3.672 -3.158) 6.304 14.857 ( -1.233 -3.409 8.104) 8.878 14.999 ( -7.371 -8.128 -4.366) 11.809 15.278 ( -1.615 -5.464 -1.754) 5.961 15.358 ( -11.604 -12.752 -4.818) 17.902 15.751 ( 4.596 -6.054 -3.298) 8.285 16.245 ( 9.978 1.637 -2.052) 10.318 16.607 ( -2.773 6.407 1.358) 7.112 16.702 ( -5.903 2.484 -2.637) 6.926 16.951 ( -0.320 -3.274 -0.149) 3.293 17.084 ( -1.525 -3.899 -2.791) 5.032 17.301 ( -2.603 -4.887 0.367) 5.549 17.424 ( 4.556 -1.817 4.657) 6.763 19.846 ( 8.522 -0.887 1.234) 8.657 19.947 ( 2.320 -4.616 -8.543) 9.984 20.823 ( -0.254 8.959 2.224) 9.235 20.997 ( 0.458 3.454 -0.990) 3.622 22.064 ( -6.679 -7.942 3.636) 10.996 22.403 ( 2.328 -7.598 -0.550) 7.966 23.147 ( -0.865 8.686 3.583) 9.436 23.463 ( 1.221 3.586 -2.068) 4.316 27.050 ( 0.168 -10.866 0.723) 10.891 27.166 ( -3.616 -20.358 -5.307) 21.347 29.299 ( -2.096 16.158 -0.896) 16.318 29.447 ( 7.715 9.824 4.018) 13.122 30.608 ( -9.471 -12.987 0.241) 16.075 30.757 ( -4.882 -1.535 -1.788) 5.421 30.821 ( -3.619 -3.783 -3.108) 6.088 31.316 ( -0.127 0.032 -3.042) 3.045 31.428 ( -4.338 -3.516 -4.399) 7.109 31.916 ( -0.808 8.051 0.943) 8.147 31.994 ( 5.635 7.569 1.284) 9.523 32.477 ( 5.597 -8.290 1.198) 10.074 32.830 ( 1.511 -8.428 1.452) 8.685 33.415 ( 54.054 12.816 -27.223) 61.864 33.463 ( -4.537 2.129 0.397) 5.027 34.042 ( 4.789 5.606 -5.139) 8.987 35.343 ( -1.922 -1.056 1.861) 2.876 35.485 ( -0.100 0.510 1.093) 1.210 35.551 ( -3.377 -1.423 5.360) 6.494 35.967 ( 0.991 0.889 -2.661) 2.975 36.219 ( -1.659 -4.804 -1.389) 5.269 36.294 ( -1.189 -3.603 -4.729) 6.063 37.054 ( -43.901 1.612 23.758) 49.944 38.635 ( 12.092 8.579 3.963) 15.347 ======================= Grid point 80 (32/114) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 4.250 -8.809 6.975) 12.013 1.834 ( 8.246 -10.821 9.902) 16.827 2.352 ( 10.286 -0.946 -10.147) 14.479 2.449 ( 5.997 3.012 0.378) 6.721 2.703 ( 11.863 0.763 8.288) 14.491 2.819 ( 3.529 -4.473 -1.176) 5.818 3.081 ( -1.157 -0.702 -5.645) 5.805 3.197 ( 1.214 -15.585 2.636) 15.853 3.437 ( -1.716 0.011 -1.224) 2.108 3.500 ( -1.843 -4.029 -1.474) 4.669 3.638 ( 3.656 -7.499 -1.807) 8.536 3.666 ( -3.175 2.184 -12.953) 13.514 3.824 ( -2.110 1.132 -1.543) 2.848 3.901 ( 2.718 -5.669 3.742) 7.317 4.077 ( -13.542 3.115 2.525) 14.123 4.331 ( -1.717 2.425 14.620) 14.919 4.384 ( -0.046 -4.699 0.732) 4.756 4.659 ( -4.464 0.220 -3.584) 5.729 4.757 ( 1.219 1.080 -2.447) 2.939 5.031 ( -2.977 -3.988 -0.671) 5.022 5.156 ( -1.320 0.027 -0.643) 1.469 5.208 ( 0.335 4.917 -4.598) 6.740 5.483 ( 2.810 4.780 2.344) 6.020 5.767 ( -0.149 -4.233 -0.453) 4.260 5.790 ( -4.072 5.381 4.225) 7.961 5.824 ( 2.204 8.466 -0.126) 8.749 6.142 ( 6.549 -5.626 3.746) 9.412 6.222 ( -6.223 3.115 -4.517) 8.296 6.338 ( -4.289 7.824 2.816) 9.357 6.528 ( -0.919 -0.147 1.947) 2.158 7.790 ( 0.908 -0.118 -0.569) 1.078 7.992 ( -0.440 2.516 2.311) 3.444 8.183 ( 2.297 3.262 -4.696) 6.163 8.293 ( 3.184 -1.226 -1.497) 3.726 8.890 ( -1.478 -0.751 1.833) 2.472 9.024 ( -2.512 3.510 -4.182) 6.010 9.229 ( -0.060 0.733 2.963) 3.053 9.350 ( 0.374 0.281 0.337) 0.577 9.459 ( -1.985 2.058 -1.140) 3.078 9.550 ( 0.563 0.493 -0.355) 0.828 9.826 ( 7.240 -1.559 5.371) 9.148 10.005 ( -6.442 1.009 -7.933) 10.269 10.079 ( 5.737 -2.627 4.331) 7.653 10.275 ( 0.142 2.488 3.646) 4.417 10.448 ( 0.856 6.056 2.344) 6.550 10.820 ( 6.209 7.759 1.266) 10.018 10.990 ( -3.181 0.141 2.980) 4.361 11.230 ( 0.125 -2.285 -2.155) 3.143 11.363 ( 7.030 1.320 3.277) 7.868 11.610 ( 5.002 3.573 -1.618) 6.357 11.803 ( -6.139 -1.186 0.876) 6.314 11.996 ( 6.839 -4.988 4.126) 9.417 12.156 ( 0.162 1.985 1.148) 2.299 12.345 ( -1.816 6.793 -2.106) 7.340 12.449 ( -7.278 3.184 -6.499) 10.263 12.478 ( 1.644 8.113 1.084) 8.349 12.785 ( -5.315 4.456 -1.423) 7.080 12.829 ( 0.316 -0.593 -1.160) 1.341 13.272 ( 0.914 -0.951 0.113) 1.324 13.531 ( -0.365 -0.360 -0.102) 0.522 13.651 ( -9.848 -4.282 -3.366) 11.253 13.842 ( 4.715 -6.863 6.886) 10.805 14.442 ( -5.393 -1.542 -7.243) 9.160 14.601 ( 6.448 8.846 0.381) 10.953 14.978 ( -4.581 -9.708 2.979) 11.140 15.160 ( -0.563 -6.409 1.180) 6.541 15.348 ( -4.293 -10.095 -0.500) 10.981 15.485 ( -9.488 -12.196 -4.921) 16.217 15.905 ( 8.706 -1.832 -0.837) 8.936 16.258 ( 6.984 0.536 3.711) 7.927 16.485 ( -3.014 4.434 1.566) 5.585 16.597 ( -8.529 -0.601 -7.524) 11.389 17.015 ( 0.837 -3.507 -0.456) 3.634 17.148 ( -1.844 -5.897 -2.097) 6.525 17.357 ( 0.538 -1.766 -0.150) 1.852 17.499 ( 1.385 -1.322 3.165) 3.699 19.932 ( 6.454 -1.960 0.430) 6.759 20.049 ( 3.445 -8.909 -7.028) 11.859 20.650 ( -1.312 11.061 2.804) 11.486 20.892 ( 1.323 7.729 -1.337) 7.954 22.227 ( -4.909 -12.525 3.084) 13.802 22.577 ( 1.817 -9.885 -1.277) 10.132 22.990 ( -2.072 9.528 4.060) 10.562 23.365 ( 1.781 7.333 -1.799) 7.757 27.339 ( 0.712 -19.475 2.633) 19.665 27.480 ( -5.471 -22.080 -7.291) 23.887 28.923 ( -2.962 21.620 -1.973) 21.911 29.309 ( 10.519 15.156 3.581) 18.793 30.764 ( -4.169 -4.182 -0.219) 5.909 30.792 ( -6.298 -11.435 0.249) 13.057 30.888 ( -4.767 -10.580 -3.003) 11.986 31.342 ( 0.065 -2.890 -1.665) 3.336 31.434 ( -1.081 -2.036 -1.432) 2.713 31.758 ( -1.081 8.865 0.228) 8.933 31.873 ( 1.681 8.907 -1.405) 9.173 32.664 ( 5.136 -7.159 -0.107) 8.812 33.031 ( 3.094 -11.096 -0.511) 11.531 33.341 ( 14.995 11.887 -6.513) 20.213 33.401 ( 11.970 7.169 -5.612) 15.039 33.907 ( 1.885 9.074 -4.317) 10.224 35.363 ( -2.023 -1.561 2.048) 3.275 35.491 ( -0.823 -0.858 1.213) 1.699 35.589 ( -3.959 -2.048 6.343) 7.753 35.968 ( 2.810 -0.598 -2.585) 3.864 36.215 ( -1.165 0.157 -0.571) 1.307 36.373 ( -3.572 -3.646 2.738) 5.792 36.945 ( -22.752 -8.739 8.202) 25.716 38.513 ( 9.419 15.638 1.576) 18.323 ======================= Grid point 81 (33/114) ======================= q-point: ( 0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 0.560 -10.078 0.616) 10.113 2.111 ( 1.271 -12.049 3.729) 12.677 2.313 ( -1.981 2.889 -5.227) 6.292 2.537 ( 11.621 -3.377 -4.529) 12.921 2.631 ( -5.322 11.955 -2.779) 13.378 2.786 ( 5.435 -0.670 3.658) 6.586 3.171 ( -1.634 -4.880 -7.083) 8.755 3.386 ( 2.895 -3.263 2.912) 5.245 3.399 ( -6.993 4.205 3.475) 8.869 3.519 ( 10.233 -0.139 -7.733) 12.827 3.569 ( -2.039 -1.037 -1.934) 2.996 3.774 ( 2.854 -1.004 -2.640) 4.015 3.838 ( -0.144 -4.606 0.767) 4.672 3.957 ( -7.542 4.087 4.053) 9.487 4.010 ( 6.853 -1.193 -1.661) 7.152 4.357 ( -8.394 -1.789 6.940) 11.037 4.444 ( -1.812 -0.469 4.166) 4.568 4.668 ( 3.056 -3.945 -3.742) 6.237 4.777 ( 4.547 -1.164 0.512) 4.721 5.004 ( -2.188 8.284 -2.417) 8.902 5.092 ( -1.169 -3.735 -1.977) 4.385 5.207 ( -3.608 -5.629 0.597) 6.712 5.425 ( 4.714 3.912 -0.628) 6.158 5.596 ( -2.399 7.261 2.113) 7.933 5.758 ( 0.110 3.670 2.237) 4.299 5.893 ( 2.250 -4.583 -0.991) 5.200 6.051 ( -4.280 5.645 -1.767) 7.301 6.200 ( -6.543 2.931 4.553) 8.493 6.381 ( 7.262 -8.214 1.084) 11.018 6.521 ( 0.138 1.164 0.147) 1.181 7.796 ( 0.337 -0.309 -1.421) 1.493 7.884 ( -6.110 3.824 -0.001) 7.208 8.076 ( -5.796 1.052 -6.701) 8.922 8.448 ( 13.634 -3.167 4.025) 14.564 8.936 ( -1.444 -0.682 -0.551) 1.690 8.968 ( -0.195 -2.739 0.634) 2.818 9.229 ( 1.632 2.536 3.974) 4.989 9.350 ( 2.698 1.547 0.127) 3.112 9.409 ( -4.808 -0.942 0.627) 4.939 9.508 ( -0.388 3.828 -1.346) 4.077 9.880 ( -1.043 0.545 -3.711) 3.893 9.946 ( 4.898 0.822 3.081) 5.845 10.063 ( -3.945 4.088 -3.467) 6.655 10.267 ( -3.620 -2.102 2.151) 4.706 10.378 ( 2.959 5.399 2.363) 6.595 10.714 ( 5.126 9.040 -1.973) 10.578 10.978 ( -2.895 0.767 3.363) 4.503 11.285 ( 1.488 -2.843 1.218) 3.433 11.409 ( 4.932 1.524 2.722) 5.836 11.566 ( 5.178 4.913 -0.856) 7.189 11.744 ( -5.343 1.941 -0.794) 5.740 12.051 ( 1.681 6.145 -0.420) 6.384 12.168 ( -5.540 -4.038 -5.182) 8.593 12.286 ( 0.147 -0.840 1.263) 1.524 12.365 ( 1.792 -0.538 0.546) 1.949 12.430 ( 2.862 -4.536 -0.319) 5.373 12.674 ( -3.686 2.314 0.319) 4.364 12.833 ( 1.067 3.701 1.070) 3.997 13.290 ( 1.866 -0.448 1.591) 2.492 13.568 ( 0.349 -3.667 -1.473) 3.967 13.628 ( -12.335 -5.600 -4.093) 14.151 13.914 ( 2.023 5.136 2.081) 5.899 14.427 ( 1.891 6.845 -4.092) 8.196 14.515 ( -0.315 -5.388 1.046) 5.498 15.120 ( -2.814 -6.723 2.351) 7.658 15.251 ( -0.635 -5.818 1.231) 5.981 15.434 ( -2.783 0.091 -1.632) 3.227 15.587 ( -1.814 -6.520 0.292) 6.774 15.970 ( 6.638 -1.005 2.013) 7.009 16.284 ( 0.987 3.307 1.629) 3.816 16.394 ( -8.958 3.960 -4.215) 10.663 16.647 ( 3.971 -12.375 -0.767) 13.019 17.076 ( 0.584 -3.342 -1.664) 3.778 17.226 ( -2.317 -5.085 -0.707) 5.632 17.366 ( 2.217 2.139 0.775) 3.176 17.530 ( -0.657 -0.443 1.881) 2.041 20.032 ( 3.916 -4.989 -0.314) 6.350 20.218 ( 4.044 -9.458 -5.364) 11.600 20.453 ( -2.676 10.170 3.040) 10.946 20.747 ( 1.303 8.456 -1.567) 8.699 22.450 ( -2.768 -13.586 2.373) 14.067 22.716 ( 1.631 0.393 0.398) 1.724 22.866 ( -2.750 -0.740 1.494) 3.216 23.213 ( 1.695 10.115 -1.575) 10.376 27.747 ( -0.530 -22.645 2.133) 22.752 27.797 ( -3.261 -22.065 -3.480) 22.574 28.486 ( -2.450 23.616 -1.432) 23.786 29.136 ( 12.003 14.998 1.504) 19.268 30.834 ( -4.058 -6.528 0.982) 7.749 30.901 ( -3.360 -6.487 -0.337) 7.313 31.078 ( -2.582 -12.825 -1.428) 13.160 31.358 ( -0.036 -0.075 -1.157) 1.160 31.474 ( 1.559 -0.672 1.091) 2.018 31.599 ( -2.890 6.730 0.212) 7.327 31.698 ( -1.874 7.833 -5.053) 9.508 32.777 ( 8.561 0.563 -4.373) 9.630 33.182 ( 7.532 5.719 -4.046) 10.286 33.256 ( -1.296 -3.459 3.251) 4.921 33.345 ( 8.095 1.117 -3.305) 8.815 33.713 ( -1.460 10.010 -2.906) 10.525 35.385 ( -2.151 -1.062 2.405) 3.397 35.509 ( -1.063 -0.980 1.137) 1.840 35.627 ( -4.354 -1.502 6.632) 8.074 35.989 ( 2.868 -0.769 -2.986) 4.211 36.220 ( -0.497 -1.257 1.322) 1.891 36.376 ( -7.175 1.196 9.083) 11.636 37.089 ( -6.770 -16.816 -2.514) 18.301 38.268 ( 6.656 17.824 -1.460) 19.082 ======================= Grid point 82 (34/114) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -10.257 13.246 -2.818) 16.989 2.058 ( -3.961 19.743 3.394) 20.420 2.352 ( 2.512 -0.600 -7.137) 7.590 2.576 ( 0.800 -3.741 -0.119) 3.828 2.654 ( -3.912 -17.074 0.460) 17.523 2.909 ( 10.655 0.376 -1.605) 10.782 3.065 ( -2.323 8.160 -3.571) 9.205 3.248 ( -3.717 9.127 5.312) 11.196 3.449 ( -3.109 4.147 3.290) 6.139 3.471 ( 3.765 -4.046 -10.269) 11.662 3.651 ( 5.222 -1.104 4.453) 6.950 3.702 ( -3.875 17.370 -9.373) 20.115 3.795 ( 4.638 2.919 2.376) 5.973 3.933 ( 3.323 -4.646 0.562) 5.739 4.050 ( 4.736 0.483 1.557) 5.008 4.340 ( -8.597 -4.695 -0.168) 9.797 4.500 ( -1.161 -4.915 4.026) 6.458 4.744 ( 3.188 -2.832 -3.317) 5.402 4.848 ( 2.581 -1.536 -0.173) 3.008 4.950 ( 4.411 -1.124 7.215) 8.531 5.122 ( 0.044 -3.182 -2.723) 4.188 5.312 ( -4.512 -8.882 -4.938) 11.119 5.430 ( 6.640 0.152 -0.168) 6.644 5.527 ( -1.432 1.326 3.290) 3.826 5.712 ( -5.629 0.621 3.068) 6.441 5.900 ( -0.764 3.766 -2.444) 4.554 5.958 ( -1.861 2.885 2.342) 4.156 6.199 ( -2.779 -3.908 3.144) 5.734 6.454 ( 1.803 2.619 -3.385) 4.644 6.584 ( 5.268 -4.834 0.331) 7.157 7.738 ( -6.127 1.098 -2.273) 6.627 7.882 ( 3.505 -1.659 2.704) 4.727 8.002 ( -5.965 -1.546 -3.932) 7.310 8.559 ( 8.035 2.189 -0.109) 8.329 8.932 ( -0.658 -0.373 1.294) 1.499 9.033 ( 0.384 -1.102 1.240) 1.702 9.217 ( 2.316 1.875 6.417) 7.075 9.343 ( 1.590 0.827 0.870) 1.992 9.350 ( -7.170 3.262 -3.694) 8.700 9.490 ( -0.615 -4.152 -0.690) 4.254 9.853 ( 2.921 7.278 0.142) 7.844 9.945 ( -0.885 -5.101 -4.181) 6.654 9.996 ( -2.391 -1.490 0.469) 2.856 10.289 ( 1.092 7.513 1.274) 7.698 10.313 ( -1.610 -3.636 0.171) 3.980 10.588 ( 3.308 5.361 -2.542) 6.793 10.969 ( -3.237 -0.626 3.577) 4.864 11.327 ( -0.799 0.367 2.446) 2.599 11.410 ( 1.597 2.365 2.170) 3.586 11.511 ( 3.101 3.815 -0.374) 4.931 11.664 ( -1.907 2.801 -2.709) 4.338 11.911 ( -0.194 5.691 -1.804) 5.974 12.233 ( -1.696 -6.357 -0.715) 6.618 12.251 ( 0.049 1.299 -0.329) 1.341 12.460 ( 3.652 -4.846 -1.187) 6.183 12.626 ( 0.463 -5.686 -0.562) 5.733 12.670 ( -0.114 -5.633 2.045) 5.994 12.708 ( 1.394 8.000 0.809) 8.160 13.325 ( 0.527 0.765 3.163) 3.297 13.618 ( -1.790 -3.909 -3.878) 5.790 13.659 ( -4.249 -7.086 -0.418) 8.273 13.792 ( 1.008 7.823 0.006) 7.888 14.257 ( 0.216 9.608 -0.380) 9.618 14.633 ( -1.293 -4.221 -0.588) 4.453 15.182 ( -2.322 2.018 2.682) 4.081 15.328 ( 1.270 -5.473 -5.321) 7.738 15.453 ( 1.868 -5.579 4.201) 7.229 15.653 ( 0.877 -0.117 2.279) 2.445 16.022 ( 0.621 4.216 0.003) 4.261 16.219 ( -2.027 0.829 0.514) 2.250 16.240 ( -4.426 3.720 -1.172) 5.900 16.930 ( 7.263 -13.106 -1.659) 15.075 17.116 ( 0.577 -1.861 -3.160) 3.712 17.276 ( -2.232 -2.613 0.157) 3.441 17.326 ( 1.162 4.394 1.682) 4.847 17.529 ( -1.616 0.681 1.092) 2.065 20.167 ( 2.690 -7.158 -1.594) 7.811 20.188 ( -1.156 10.362 -0.356) 10.432 20.475 ( 1.823 -10.555 -0.866) 10.746 20.599 ( 0.340 7.365 -1.935) 7.623 22.571 ( -1.426 10.546 3.044) 11.069 22.687 ( -0.911 -11.189 2.301) 11.460 22.988 ( 1.968 -0.727 -2.071) 2.948 23.036 ( -0.231 1.289 -0.945) 1.615 28.037 ( -1.170 22.389 -0.249) 22.421 28.104 ( -1.420 -19.168 -2.246) 19.352 28.217 ( -0.637 -23.602 3.714) 23.901 28.978 ( 10.496 12.053 -4.118) 16.505 30.900 ( -5.209 -2.302 0.847) 5.758 30.996 ( 0.259 -5.484 1.786) 5.774 31.213 ( 0.694 -1.500 -1.584) 2.289 31.350 ( 1.810 6.187 0.484) 6.465 31.411 ( -1.940 -0.427 -3.084) 3.668 31.525 ( -1.741 -1.423 -3.126) 3.851 31.589 ( -1.930 0.681 1.936) 2.817 32.689 ( 9.965 12.101 -9.214) 18.184 33.072 ( -2.275 7.605 2.050) 8.199 33.273 ( 2.023 -0.822 -1.332) 2.558 33.443 ( 1.078 4.052 0.848) 4.278 33.579 ( 0.190 -5.446 -2.246) 5.894 35.391 ( -2.302 0.055 2.691) 3.542 35.516 ( -0.786 0.204 1.057) 1.332 35.643 ( -4.207 0.032 6.047) 7.366 35.999 ( 1.751 -0.286 -3.311) 3.756 36.262 ( -1.530 -3.009 2.197) 4.028 36.360 ( -6.204 0.239 9.990) 11.762 37.356 ( 0.880 -15.832 -3.176) 16.171 38.004 ( 3.990 13.343 -3.541) 14.370 ======================= Grid point 83 (35/114) ======================= q-point: (-0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -4.507 19.073 6.000) 20.496 1.658 ( -3.003 23.877 7.938) 25.341 2.267 ( -1.561 2.843 -3.051) 4.453 2.577 ( -8.377 5.939 -12.481) 16.162 2.698 ( -1.873 5.318 -5.769) 8.067 2.844 ( 6.371 9.821 5.542) 12.952 2.926 ( 3.176 21.100 7.886) 22.748 3.091 ( 3.052 11.410 0.671) 11.830 3.310 ( 0.733 -3.578 4.630) 5.898 3.453 ( 2.139 -1.618 -3.937) 4.764 3.635 ( 1.483 -8.959 0.063) 9.081 3.734 ( 0.207 -2.609 -0.837) 2.748 3.758 ( 3.653 4.788 1.316) 6.165 4.038 ( 5.774 -3.845 -2.623) 7.417 4.089 ( -1.875 0.255 4.874) 5.228 4.398 ( -4.140 -8.727 -5.878) 11.307 4.638 ( -1.298 -8.213 1.671) 8.481 4.728 ( -1.180 3.206 -1.936) 3.927 4.891 ( 1.486 -4.106 -2.873) 5.227 5.103 ( -0.989 -7.128 -0.645) 7.225 5.234 ( 3.946 -7.179 3.269) 8.820 5.336 ( 4.386 1.716 -1.901) 5.079 5.476 ( 3.139 1.979 1.890) 4.164 5.594 ( -2.433 -8.809 1.669) 9.290 5.676 ( -3.406 1.399 1.366) 3.927 5.747 ( -4.743 8.117 -1.869) 9.585 5.911 ( -1.468 2.252 2.411) 3.611 6.285 ( 0.583 -4.630 -0.524) 4.695 6.395 ( 0.423 2.532 -1.273) 2.865 6.670 ( 2.511 -1.781 -2.005) 3.674 7.683 ( -1.686 0.896 0.662) 2.021 7.927 ( -4.021 -3.603 -3.773) 6.587 8.028 ( 3.275 -2.051 3.877) 5.474 8.508 ( 0.894 5.450 -3.916) 6.770 8.931 ( 0.984 2.121 5.591) 6.060 9.043 ( 1.514 0.102 1.015) 1.825 9.218 ( -9.869 0.070 -4.253) 10.747 9.271 ( 1.646 0.112 3.701) 4.052 9.366 ( 2.123 -0.329 3.790) 4.356 9.549 ( 0.767 -3.078 -0.870) 3.290 9.748 ( 1.326 2.448 -5.045) 5.763 9.960 ( -3.294 0.031 -5.075) 6.051 10.096 ( 4.636 -1.904 2.599) 5.646 10.168 ( -6.332 0.858 3.264) 7.175 10.353 ( 4.053 1.450 3.922) 5.823 10.601 ( 1.331 -6.010 -2.415) 6.613 11.004 ( -2.542 -3.900 3.330) 5.724 11.286 ( -3.682 2.700 1.336) 4.758 11.398 ( -0.434 -0.401 -0.370) 0.697 11.498 ( 1.675 0.251 3.319) 3.726 11.590 ( 0.779 2.361 -3.579) 4.358 11.851 ( 3.083 4.092 4.045) 6.528 12.246 ( 1.291 -0.635 -1.844) 2.339 12.330 ( 0.686 -3.475 0.487) 3.575 12.423 ( -3.320 10.908 -0.576) 11.417 12.594 ( 2.834 -6.772 -3.562) 8.159 12.724 ( -0.972 -2.962 -1.239) 3.355 12.876 ( 1.037 -9.846 -0.164) 9.902 13.301 ( -3.280 1.610 2.857) 4.638 13.612 ( 1.944 5.276 2.464) 6.139 13.642 ( 0.008 1.540 -5.739) 5.942 13.875 ( 3.684 -10.365 5.416) 12.261 14.094 ( -0.728 8.435 0.504) 8.481 14.631 ( -0.364 2.004 -0.602) 2.124 15.066 ( -0.579 8.175 2.389) 8.536 15.466 ( 0.829 -7.906 -4.578) 9.173 15.538 ( -1.557 2.344 -2.651) 3.866 15.680 ( 2.692 -0.739 2.582) 3.802 15.868 ( -1.412 5.114 2.673) 5.941 16.076 ( -2.970 8.672 1.908) 9.363 16.347 ( 1.261 -9.213 0.239) 9.302 17.106 ( -0.184 0.733 -4.487) 4.550 17.169 ( 8.177 -8.092 -5.478) 12.741 17.240 ( -3.576 3.347 -1.178) 5.038 17.305 ( 1.937 0.897 3.744) 4.310 17.479 ( -2.909 3.356 -1.437) 4.668 19.980 ( -1.854 9.960 -0.712) 10.157 20.269 ( 5.199 0.244 -7.532) 9.156 20.502 ( -2.715 -1.365 2.091) 3.689 20.690 ( 1.605 -11.362 -1.099) 11.527 22.379 ( -1.321 11.691 6.351) 13.370 22.755 ( 2.274 10.227 -3.107) 10.928 22.923 ( -2.467 -7.497 2.661) 8.328 23.209 ( 1.212 -11.040 -2.369) 11.356 27.626 ( -0.487 21.439 0.348) 21.447 28.466 ( 3.400 -19.980 1.228) 20.304 28.637 ( 0.589 -20.969 1.840) 21.058 28.775 ( 0.483 10.560 -17.024) 20.040 30.827 ( -0.737 7.498 1.695) 7.723 31.064 ( -0.437 1.778 0.755) 1.981 31.156 ( -2.928 7.125 -0.347) 7.711 31.193 ( 5.626 4.493 1.756) 7.411 31.503 ( -1.442 -7.029 -1.347) 7.301 31.587 ( -2.975 -3.598 4.480) 6.471 31.620 ( 6.594 -4.843 -2.350) 8.512 32.453 ( 7.762 14.317 -10.906) 19.600 32.907 ( -2.295 9.650 2.247) 10.171 33.192 ( -0.116 10.816 -0.452) 10.826 33.413 ( -1.778 -4.076 1.202) 4.607 33.757 ( 3.257 -9.837 -2.141) 10.581 35.379 ( -2.108 0.939 2.735) 3.579 35.501 ( -0.274 1.473 0.823) 1.709 35.629 ( -3.746 1.552 4.927) 6.381 35.991 ( 0.996 0.092 -3.593) 3.730 36.318 ( -3.487 -3.884 1.535) 5.441 36.385 ( -4.879 -1.111 9.693) 10.909 37.533 ( -2.279 -1.778 2.492) 3.816 37.919 ( 5.130 -5.888 -4.705) 9.118 ======================= Grid point 84 (36/114) ======================= q-point: (-0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 3.537 19.136 17.431) 26.126 1.292 ( 4.939 23.851 14.089) 28.138 2.119 ( -3.538 30.877 9.986) 32.644 2.225 ( 1.234 4.767 -1.458) 5.136 2.496 ( 0.607 2.937 -9.625) 10.081 2.672 ( 4.100 4.272 2.946) 6.614 2.880 ( 2.099 9.082 4.698) 10.438 2.949 ( 7.642 3.259 6.644) 10.638 3.470 ( 2.751 -4.472 -0.620) 5.287 3.555 ( 3.827 -4.702 5.909) 8.465 3.685 ( -0.460 2.759 3.351) 4.365 3.754 ( 2.392 -1.191 -7.748) 8.195 3.779 ( -2.804 -3.849 -4.734) 6.715 4.068 ( -4.568 0.780 4.129) 6.207 4.121 ( 5.786 -2.663 -4.823) 7.989 4.473 ( -6.732 -6.936 -9.357) 13.453 4.602 ( -9.402 2.172 0.540) 9.665 4.780 ( 1.909 -3.006 -0.835) 3.658 4.958 ( 0.369 -6.364 -9.410) 11.366 5.153 ( -4.236 1.069 0.487) 4.395 5.218 ( 1.949 1.662 -4.826) 5.463 5.384 ( -5.051 4.256 -3.431) 7.443 5.439 ( 2.199 7.188 3.018) 8.100 5.594 ( 3.576 0.127 9.401) 10.059 5.687 ( 0.594 -2.338 0.187) 2.419 5.789 ( 3.094 -9.501 3.872) 10.716 5.923 ( -3.025 -4.438 3.405) 6.360 6.314 ( 2.939 1.544 -2.302) 4.040 6.411 ( -1.552 -4.501 2.142) 5.221 6.667 ( -2.676 0.618 -2.127) 3.474 7.691 ( 4.871 1.021 3.469) 6.066 7.944 ( -7.792 -5.105 -3.399) 9.917 8.108 ( 2.802 -1.751 2.212) 3.976 8.380 ( 0.725 4.213 -5.421) 6.903 8.953 ( -1.819 -0.917 4.779) 5.195 9.071 ( 2.897 -0.224 1.808) 3.422 9.162 ( -3.482 -1.364 0.344) 3.755 9.245 ( 3.461 5.250 0.896) 6.352 9.420 ( -0.282 -1.314 5.827) 5.980 9.646 ( 1.606 -6.586 1.725) 6.995 9.737 ( -0.176 -2.692 -4.507) 5.253 9.848 ( 2.216 7.067 -2.657) 7.869 10.085 ( 1.781 3.683 2.731) 4.919 10.209 ( -5.986 -3.544 2.187) 7.292 10.401 ( 1.927 -1.721 3.706) 4.517 10.741 ( 0.182 -9.577 -3.285) 10.126 11.104 ( -1.572 -7.062 1.963) 7.496 11.225 ( -5.922 -0.238 -0.714) 5.970 11.386 ( -2.666 0.463 -3.196) 4.188 11.565 ( 3.079 -0.054 -2.296) 3.841 11.583 ( 4.468 -2.398 8.823) 10.177 11.819 ( 0.526 4.050 6.220) 7.441 12.152 ( -0.108 8.100 -1.229) 8.193 12.329 ( 1.797 -2.881 2.035) 3.959 12.429 ( -0.052 -4.543 -0.301) 4.553 12.666 ( 0.933 -1.103 -4.210) 4.451 12.787 ( 1.875 -5.025 -1.099) 5.475 12.997 ( 0.474 -3.727 -2.990) 4.802 13.268 ( -5.699 -0.257 2.993) 6.443 13.564 ( 3.259 1.838 0.927) 3.855 13.599 ( 0.184 1.720 -1.293) 2.160 13.917 ( -4.072 7.194 -1.643) 8.428 14.178 ( 11.799 -9.414 10.332) 18.292 14.588 ( 0.132 1.631 -0.716) 1.786 14.941 ( 0.242 8.294 4.230) 9.313 15.322 ( -5.355 10.006 -5.324) 12.535 15.517 ( -0.118 4.739 -0.092) 4.742 15.629 ( 2.031 6.521 -3.897) 7.863 15.845 ( 1.466 2.733 -0.295) 3.116 16.075 ( -1.508 -9.103 3.322) 9.807 16.514 ( 0.248 -8.290 -0.269) 8.298 17.038 ( -0.996 3.735 -2.197) 4.446 17.118 ( -5.071 3.792 -11.119) 12.795 17.248 ( 6.658 2.391 -9.558) 11.891 17.305 ( 3.811 6.725 -2.435) 8.104 17.372 ( -2.687 1.578 4.849) 5.763 19.815 ( 0.255 6.813 -1.217) 6.925 20.156 ( 3.667 7.078 -10.064) 12.838 20.627 ( -2.121 -9.877 3.354) 10.645 20.882 ( 0.825 -9.384 -1.019) 9.475 22.227 ( -1.965 8.647 9.121) 12.721 22.548 ( 2.592 11.948 -1.651) 12.337 23.043 ( -4.925 -6.950 0.454) 8.531 23.381 ( 1.005 -8.512 -3.178) 9.141 27.283 ( 0.067 16.926 0.610) 16.937 28.266 ( -13.327 25.332 -34.872) 45.115 28.878 ( 8.155 -18.982 3.305) 20.923 29.035 ( -0.793 -20.841 1.821) 20.935 30.737 ( 8.862 6.174 5.517) 12.128 30.970 ( -1.422 5.279 -1.168) 5.590 31.013 ( -2.249 6.757 0.572) 7.145 31.194 ( 7.582 5.736 9.164) 13.205 31.603 ( -3.162 -7.132 -2.628) 8.233 31.671 ( 7.876 -3.676 -2.299) 8.991 31.782 ( 3.573 -6.401 2.740) 7.826 32.235 ( 18.057 11.478 -11.491) 24.287 32.743 ( 2.745 9.616 3.511) 10.598 32.978 ( -0.606 12.076 1.061) 12.138 33.485 ( -1.964 -4.381 -0.048) 4.801 33.923 ( 2.832 -7.416 -2.470) 8.314 35.360 ( -1.633 1.203 2.612) 3.307 35.477 ( 0.064 1.309 0.704) 1.487 35.591 ( -3.377 2.143 3.893) 5.582 35.979 ( 0.773 -0.463 -3.332) 3.452 36.350 ( -5.212 -2.243 0.111) 5.676 36.402 ( -1.701 1.465 3.705) 4.332 37.521 ( -22.426 -6.666 13.453) 26.988 38.152 ( 9.782 -12.075 -2.262) 15.704 ======================= Grid point 87 (37/114) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 10.338 0.000 18.353) 21.065 1.736 ( 17.357 0.000 26.537) 31.709 2.337 ( -8.126 -0.000 -7.398) 10.989 2.528 ( 17.826 0.000 -11.062) 20.980 2.674 ( 25.912 0.000 20.008) 32.738 2.813 ( -4.252 -0.000 -8.059) 9.112 2.891 ( 4.057 0.000 -12.499) 13.141 2.989 ( 3.476 0.000 3.244) 4.755 3.015 ( -0.534 -0.000 -5.569) 5.594 3.373 ( -2.981 -0.000 -9.597) 10.049 3.580 ( 0.341 0.000 0.615) 0.703 3.744 ( -4.280 -0.000 -1.569) 4.558 3.777 ( -3.066 -0.000 -12.776) 13.138 3.912 ( -3.393 -0.000 2.671) 4.318 4.164 ( -10.395 -0.000 7.337) 12.723 4.244 ( -8.490 -0.000 2.957) 8.990 4.383 ( -5.135 -0.000 8.520) 9.947 4.697 ( 1.597 0.000 -4.223) 4.514 4.900 ( -3.414 -0.000 -1.614) 3.776 4.961 ( -4.746 -0.000 1.071) 4.866 5.088 ( 0.405 0.000 0.080) 0.413 5.303 ( 4.436 0.000 0.304) 4.447 5.587 ( 4.415 0.000 4.347) 6.196 5.588 ( 2.433 0.000 0.373) 2.461 5.834 ( -7.534 -0.000 1.140) 7.620 6.040 ( -2.838 -0.000 4.629) 5.430 6.084 ( -2.647 -0.000 -2.134) 3.401 6.305 ( 0.674 0.000 -2.907) 2.984 6.481 ( -1.710 -0.000 4.238) 4.570 6.575 ( -1.507 -0.000 1.134) 1.886 7.797 ( 3.074 0.000 2.424) 3.914 8.001 ( 7.036 0.000 4.340) 8.267 8.284 ( -3.755 -0.000 -7.810) 8.665 8.295 ( 6.458 0.000 0.180) 6.460 8.985 ( -4.609 -0.000 1.094) 4.737 9.106 ( -16.090 -0.000 -10.205) 19.054 9.258 ( -4.170 -0.000 2.362) 4.793 9.316 ( 5.621 0.000 2.506) 6.155 9.470 ( 9.130 0.000 2.194) 9.390 9.554 ( -1.344 -0.000 0.572) 1.460 9.808 ( 8.694 0.000 2.029) 8.927 9.874 ( -2.915 -0.000 4.861) 5.668 10.094 ( 6.419 0.000 -3.040) 7.102 10.271 ( 2.584 0.000 0.210) 2.593 10.607 ( 4.281 0.000 3.210) 5.351 11.004 ( -6.609 -0.000 5.705) 8.731 11.022 ( 5.341 0.000 -0.454) 5.360 11.172 ( -1.535 -0.000 -4.530) 4.783 11.402 ( 1.760 0.000 1.601) 2.379 11.696 ( 5.135 0.000 4.520) 6.841 11.794 ( -2.344 -0.000 -5.573) 6.046 11.798 ( 4.883 0.000 5.359) 7.250 12.398 ( -8.711 -0.000 -3.701) 9.465 12.432 ( -4.909 -0.000 -0.646) 4.951 12.622 ( -2.308 -0.000 -5.347) 5.824 12.626 ( 4.408 0.000 7.015) 8.285 12.883 ( 0.294 0.000 -4.117) 4.127 12.958 ( 2.467 0.000 -12.112) 12.361 13.288 ( -2.548 -0.000 4.728) 5.371 13.458 ( 2.371 0.000 2.707) 3.598 13.521 ( -5.602 -0.000 -1.118) 5.713 13.696 ( 1.348 0.000 1.854) 2.292 14.506 ( -0.616 -0.000 -2.202) 2.286 14.517 ( -0.779 -0.000 -2.784) 2.891 14.709 ( -13.874 -0.000 -6.236) 15.212 14.989 ( -12.010 -0.000 -0.360) 12.015 15.022 ( 0.009 0.000 -0.450) 0.450 15.280 ( -0.127 -0.000 -0.902) 0.911 15.714 ( 8.677 0.000 -1.651) 8.833 16.332 ( 10.915 0.000 -1.040) 10.965 16.664 ( -5.226 -0.000 0.195) 5.230 16.717 ( -5.077 -0.000 1.640) 5.335 16.898 ( -0.748 -0.000 -0.325) 0.815 17.022 ( -1.818 -0.000 -1.676) 2.473 17.214 ( -2.863 -0.000 0.108) 2.865 17.472 ( 4.159 0.000 4.355) 6.022 19.879 ( 2.610 0.000 -6.992) 7.463 19.928 ( 9.534 0.000 2.698) 9.908 20.940 ( 0.893 0.000 1.389) 1.651 21.007 ( -0.259 -0.000 -0.079) 0.271 21.960 ( -5.532 -0.000 2.678) 6.146 22.346 ( 2.125 0.000 -0.481) 2.178 23.247 ( -1.014 -0.000 2.280) 2.496 23.493 ( 1.469 0.000 -1.504) 2.102 26.952 ( 0.014 0.000 0.024) 0.028 26.961 ( 0.039 0.000 -0.132) 0.138 29.453 ( -1.083 -0.000 -1.431) 1.795 29.599 ( 5.788 0.000 3.249) 6.638 30.381 ( -9.982 -0.000 -1.435) 10.085 30.703 ( -4.321 -0.000 -1.076) 4.453 30.739 ( -4.250 -0.000 -2.711) 5.041 31.276 ( -1.772 -0.000 -5.876) 6.137 31.358 ( -1.321 -0.000 -0.292) 1.353 32.005 ( 0.123 0.000 -0.460) 0.476 32.125 ( 4.552 0.000 2.003) 4.973 32.421 ( 3.011 0.000 1.086) 3.201 32.760 ( 0.688 0.000 0.680) 0.967 33.450 ( -4.992 -0.000 1.630) 5.251 33.736 ( 39.145 0.000 -29.669) 49.118 34.132 ( 16.454 0.000 -14.219) 21.747 35.325 ( -2.174 -0.000 1.192) 2.479 35.503 ( 0.415 0.000 0.728) 0.838 35.546 ( -3.279 -0.000 6.331) 7.130 35.964 ( 0.181 0.000 -3.560) 3.565 36.127 ( -1.091 -0.000 1.686) 2.008 36.238 ( -1.779 -0.000 -3.683) 4.090 36.878 ( -41.823 -0.000 26.855) 49.703 38.828 ( 10.135 0.000 4.581) 11.123 ======================= Grid point 88 (38/114) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 6.373 0.888 15.858) 17.114 1.856 ( 6.969 7.276 9.281) 13.698 2.305 ( -1.445 -5.278 -8.325) 9.962 2.549 ( 5.542 -0.031 2.243) 5.979 2.711 ( 16.561 -0.703 -14.328) 21.910 2.903 ( -3.892 -6.337 -3.778) 8.341 2.937 ( 14.767 2.337 9.824) 17.889 3.150 ( 1.275 0.514 -3.996) 4.226 3.214 ( 4.582 -21.486 -3.482) 22.244 3.334 ( -4.091 -7.571 -2.414) 8.938 3.558 ( 1.373 1.547 -3.473) 4.042 3.607 ( -4.511 0.200 -11.872) 12.702 3.830 ( -2.084 1.820 -2.280) 3.585 3.847 ( 0.253 -3.554 3.841) 5.238 4.038 ( -14.607 2.835 1.972) 15.010 4.293 ( -2.505 -4.072 4.144) 6.326 4.372 ( -11.289 0.076 10.107) 15.152 4.697 ( 4.692 1.735 0.546) 5.032 4.819 ( 2.442 5.175 0.766) 5.773 4.954 ( -3.287 -1.825 1.135) 3.927 5.120 ( -1.994 -1.969 -0.774) 2.907 5.280 ( 2.121 3.929 -3.807) 5.868 5.601 ( 2.442 3.390 3.401) 5.387 5.651 ( 0.230 -5.558 -2.510) 6.103 5.844 ( -1.586 -3.189 3.798) 5.207 5.970 ( -4.337 8.642 -0.751) 9.698 6.067 ( 1.061 -3.919 1.009) 4.183 6.250 ( -1.355 5.084 -2.609) 5.873 6.475 ( -1.127 5.163 2.147) 5.704 6.522 ( -2.460 0.971 1.197) 2.904 7.834 ( 4.840 1.681 2.315) 5.622 8.058 ( 1.123 2.485 3.460) 4.406 8.190 ( -3.896 2.775 -6.176) 7.812 8.337 ( 8.512 -0.556 0.380) 8.539 8.859 ( -7.439 1.582 -1.476) 7.748 9.032 ( -6.363 -1.552 -2.831) 7.135 9.195 ( -5.448 2.716 1.028) 6.174 9.369 ( 3.992 0.290 1.588) 4.306 9.530 ( 7.281 1.459 -0.287) 7.431 9.552 ( -2.611 -0.723 0.761) 2.814 9.845 ( -4.398 -0.467 -2.442) 5.052 9.914 ( 6.678 -1.651 1.980) 7.158 10.170 ( 9.210 0.292 2.917) 9.665 10.304 ( 1.544 -1.522 -0.844) 2.327 10.589 ( 0.238 6.563 3.408) 7.399 10.977 ( 0.273 2.876 3.727) 4.716 11.017 ( 2.182 3.377 1.979) 4.481 11.161 ( -0.842 -2.493 -2.513) 3.638 11.429 ( 2.908 -0.577 1.057) 3.147 11.726 ( 6.244 3.620 4.118) 8.310 11.754 ( -3.372 -0.378 -3.199) 4.663 11.918 ( 3.603 -5.387 4.659) 7.982 12.273 ( -2.410 4.048 -1.694) 5.006 12.359 ( -9.946 1.641 -6.967) 12.253 12.521 ( -0.392 7.394 -2.200) 7.725 12.615 ( 2.151 4.542 2.616) 5.665 12.788 ( -0.244 7.005 -4.318) 8.233 12.829 ( -3.915 3.698 -6.758) 8.641 13.274 ( 1.075 1.241 2.078) 2.649 13.456 ( -4.916 -2.714 2.000) 5.961 13.658 ( 0.200 4.957 -0.009) 4.961 13.725 ( 5.410 -13.756 4.354) 15.410 14.372 ( -9.497 4.263 -6.737) 12.400 14.612 ( 0.277 -10.436 -2.949) 10.848 14.824 ( -4.984 -10.135 -4.831) 12.284 14.925 ( -2.021 -10.835 5.959) 12.530 15.134 ( -7.073 -8.453 -2.495) 11.301 15.259 ( 0.096 -1.167 -0.832) 1.436 15.874 ( 11.148 -8.052 -0.864) 13.779 16.366 ( 5.730 3.337 0.854) 6.685 16.557 ( -5.965 4.897 -1.341) 7.834 16.590 ( -5.089 8.249 1.052) 9.749 16.936 ( -0.667 -4.039 -1.427) 4.335 17.049 ( -0.303 -4.122 -0.299) 4.144 17.267 ( -1.327 -6.173 -0.517) 6.336 17.520 ( 1.783 -0.111 3.174) 3.643 19.914 ( 3.488 -5.042 -4.975) 7.895 19.997 ( 7.303 1.340 2.256) 7.760 20.843 ( -0.428 9.333 2.065) 9.568 20.999 ( 1.037 3.280 -0.916) 3.560 22.009 ( -4.676 -8.240 2.178) 9.721 22.426 ( 1.616 -7.159 -1.141) 7.428 23.167 ( -1.621 8.302 2.959) 8.961 23.466 ( 1.583 3.584 -1.580) 4.225 27.063 ( 0.050 -12.103 1.065) 12.149 27.097 ( -0.962 -14.161 -1.765) 14.303 29.250 ( -1.280 17.427 -1.693) 17.556 29.595 ( 5.943 7.520 1.621) 9.721 30.462 ( -6.576 -15.130 -2.326) 16.660 30.683 ( -3.558 -1.840 0.584) 4.048 30.729 ( -3.984 -3.629 -1.698) 5.651 31.268 ( -0.483 -2.794 -2.822) 4.001 31.378 ( -0.159 -2.660 0.656) 2.745 31.913 ( -0.110 8.417 -0.212) 8.421 32.068 ( 3.095 9.408 -0.195) 9.906 32.533 ( 1.432 -8.480 -0.065) 8.600 32.859 ( 1.492 -9.293 -0.949) 9.460 33.404 ( -4.980 2.353 3.160) 6.350 33.746 ( 25.611 9.231 -20.475) 34.064 34.084 ( 15.427 9.778 -15.264) 23.803 35.329 ( -1.966 -1.478 1.278) 2.772 35.493 ( -0.730 1.020 1.453) 1.919 35.568 ( -3.675 -1.109 7.084) 8.057 35.963 ( 2.218 -0.927 -2.606) 3.546 36.205 ( -0.002 -1.276 0.709) 1.460 36.235 ( -0.580 -7.751 -1.904) 8.002 36.735 ( -31.254 -1.236 21.322) 37.854 38.823 ( 6.757 9.991 2.057) 12.236 ======================= Grid point 89 (39/114) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 3.154 -3.745 6.374) 8.037 1.970 ( -1.910 -5.784 5.051) 7.913 2.337 ( 0.308 -0.852 -3.932) 4.035 2.592 ( 12.114 2.830 -2.734) 12.737 2.787 ( 7.213 3.492 -6.682) 10.434 2.909 ( 0.114 4.996 -4.627) 6.811 2.988 ( 0.034 -2.317 -2.461) 3.380 3.208 ( -2.178 -15.957 0.614) 16.117 3.417 ( -1.248 -4.501 2.860) 5.476 3.477 ( 0.088 0.845 -15.646) 15.669 3.526 ( 8.325 -5.313 -0.257) 9.879 3.681 ( 0.498 -8.453 0.174) 8.469 3.763 ( -0.808 -0.849 -3.930) 4.101 3.934 ( -5.818 -0.894 0.332) 5.895 4.002 ( 1.233 -5.470 7.797) 9.604 4.264 ( -12.699 1.358 2.154) 12.951 4.404 ( -4.288 -5.148 3.265) 7.453 4.715 ( 6.626 1.908 2.479) 7.328 4.800 ( 4.097 1.032 2.278) 4.800 4.982 ( -1.508 -2.598 0.685) 3.081 5.097 ( -7.708 -0.850 -2.210) 8.063 5.190 ( 3.754 6.350 1.631) 7.555 5.552 ( 2.665 4.635 0.122) 5.348 5.727 ( -3.949 8.142 0.162) 9.051 5.787 ( 0.420 -4.970 -2.031) 5.385 5.891 ( 4.403 1.924 2.990) 5.660 6.076 ( -5.972 7.296 -3.144) 9.938 6.228 ( 2.064 -9.368 -1.862) 9.772 6.317 ( -2.830 8.348 3.869) 9.627 6.523 ( -0.894 -0.416 -1.342) 1.665 7.832 ( 3.155 2.547 -0.470) 4.081 7.945 ( -4.313 7.147 -0.229) 8.351 8.056 ( -2.834 4.368 -1.630) 5.456 8.507 ( 12.462 -4.897 3.312) 13.793 8.865 ( -3.916 -5.678 0.419) 6.910 8.963 ( -1.378 3.664 0.023) 3.914 9.177 ( -5.963 -5.249 0.918) 7.997 9.376 ( 1.272 1.881 1.083) 2.515 9.504 ( 0.891 4.924 3.075) 5.873 9.544 ( 0.666 1.641 -2.244) 2.859 9.779 ( -4.023 -0.327 -5.927) 7.171 10.013 ( 7.973 -0.990 1.260) 8.133 10.189 ( 2.009 3.489 0.060) 4.027 10.256 ( -2.534 7.152 -1.631) 7.761 10.494 ( -0.407 3.619 2.720) 4.545 10.893 ( 3.063 8.251 -2.709) 9.209 11.000 ( -1.823 1.340 4.048) 4.637 11.227 ( 0.380 -4.693 1.465) 4.931 11.478 ( 4.363 -1.081 -0.199) 4.500 11.683 ( -4.266 2.901 0.982) 5.252 11.740 ( 6.249 3.183 0.426) 7.026 12.031 ( -3.426 -1.525 -4.697) 6.010 12.197 ( 0.736 -3.910 -1.172) 4.148 12.230 ( 1.300 8.222 -3.600) 9.069 12.380 ( 0.077 3.440 2.569) 4.295 12.540 ( 1.234 6.446 2.543) 7.038 12.643 ( -6.895 2.140 -4.679) 8.603 12.817 ( 0.172 -3.978 1.076) 4.125 13.291 ( 1.651 -1.922 0.743) 2.641 13.486 ( -6.432 -1.725 0.613) 6.687 13.554 ( 0.225 3.504 0.664) 3.573 14.022 ( 9.574 -3.038 6.270) 11.841 14.223 ( -10.158 -6.411 -9.564) 15.355 14.679 ( 4.338 6.436 -1.264) 7.864 14.934 ( -4.056 -11.512 1.891) 12.352 15.153 ( -3.439 -4.168 0.280) 5.411 15.262 ( -2.385 -16.572 0.099) 16.743 15.386 ( -1.043 -10.853 -0.265) 10.906 16.056 ( 10.696 -1.267 -0.135) 10.772 16.379 ( -3.712 4.298 -2.396) 6.164 16.380 ( -1.354 3.477 1.358) 3.971 16.474 ( -2.830 -2.800 0.137) 3.983 17.001 ( 0.212 -4.361 -1.622) 4.657 17.134 ( 0.161 -4.605 0.569) 4.643 17.362 ( 0.542 -4.289 -0.190) 4.327 17.533 ( -0.712 0.571 1.768) 1.990 20.027 ( 4.198 -0.149 0.713) 4.261 20.051 ( 4.018 -8.438 -2.830) 9.765 20.657 ( -1.508 11.694 2.302) 12.013 20.894 ( 1.170 7.831 -1.735) 8.105 22.188 ( -3.542 -13.449 1.662) 14.006 22.586 ( 1.542 -9.961 -1.952) 10.267 22.996 ( -2.807 10.314 3.440) 11.229 23.372 ( 1.446 7.216 -1.745) 7.564 27.367 ( -0.638 -19.841 1.366) 19.898 27.390 ( -0.635 -20.152 -0.628) 20.172 28.877 ( -0.496 22.007 -0.658) 22.022 29.452 ( 5.354 12.629 -1.740) 13.827 30.692 ( -1.897 -10.277 -1.956) 10.632 30.745 ( -1.953 -9.070 2.334) 9.567 30.794 ( -3.719 -9.218 -0.630) 9.960 31.312 ( -0.170 -3.004 -0.605) 3.069 31.451 ( 0.612 -3.661 2.527) 4.490 31.740 ( -0.621 9.974 -0.610) 10.012 31.875 ( 1.152 12.230 -2.419) 12.520 32.697 ( 1.470 -8.593 -2.549) 9.083 33.061 ( 2.279 -11.801 -2.266) 12.231 33.326 ( -4.240 4.668 4.415) 7.698 33.609 ( 20.232 14.061 -14.909) 28.798 33.885 ( 4.373 12.312 -9.044) 15.890 35.356 ( -1.523 -1.863 2.001) 3.130 35.489 ( -1.529 -0.660 1.601) 2.310 35.603 ( -4.212 -1.587 7.215) 8.503 35.985 ( 2.863 -0.620 -2.365) 3.765 36.208 ( -0.148 -0.399 0.354) 0.554 36.366 ( -3.122 -3.066 5.185) 6.784 36.750 ( -14.444 -12.746 9.301) 21.392 38.616 ( 3.793 16.839 -2.227) 17.404 ======================= Grid point 90 (40/114) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 1.416 7.249 4.184) 8.489 2.102 ( -0.343 -20.918 0.764) 20.934 2.319 ( 1.384 3.402 3.479) 5.059 2.549 ( -2.201 5.221 -5.599) 7.966 2.614 ( 4.792 11.169 -0.726) 12.175 2.892 ( 7.608 -4.984 -0.763) 9.127 3.073 ( 0.648 -4.591 -6.132) 7.687 3.308 ( -6.376 2.359 -2.143) 7.128 3.398 ( 0.544 -2.495 -10.914) 11.209 3.544 ( 2.849 1.787 10.570) 11.092 3.644 ( 0.384 -4.256 -1.847) 4.655 3.764 ( 5.324 -3.963 -8.066) 10.446 3.817 ( 1.319 -7.969 -3.304) 8.727 3.864 ( -5.242 5.869 -7.379) 10.788 4.119 ( 2.696 -0.018 6.908) 7.416 4.193 ( -8.707 -3.577 4.050) 10.248 4.456 ( -5.109 -3.204 -0.084) 6.031 4.752 ( 7.978 1.046 0.052) 8.046 4.822 ( -1.246 -0.448 0.440) 1.395 5.046 ( -2.166 -1.382 3.304) 4.185 5.072 ( 3.444 -3.934 1.026) 5.328 5.150 ( 0.091 1.916 3.669) 4.140 5.488 ( 2.613 2.824 -0.794) 3.929 5.575 ( -3.405 3.697 0.722) 5.077 5.794 ( -1.130 10.152 2.990) 10.643 5.891 ( 1.094 -2.665 -3.392) 4.450 5.987 ( 0.321 -1.272 -0.533) 1.416 6.162 ( -5.332 3.720 5.211) 8.332 6.425 ( 0.710 -7.951 -5.337) 9.602 6.506 ( -0.585 -1.158 -2.498) 2.815 7.757 ( -0.445 4.795 -0.468) 4.838 7.861 ( -1.932 -0.133 -1.564) 2.490 8.012 ( 4.411 2.026 5.401) 7.262 8.634 ( 4.354 -0.374 -1.654) 4.673 8.933 ( 1.279 0.250 3.176) 3.433 8.950 ( -3.758 -5.687 -0.305) 6.823 9.253 ( -4.227 -4.397 -1.150) 6.207 9.342 ( -0.545 3.081 2.147) 3.795 9.423 ( -1.241 3.048 1.810) 3.756 9.473 ( 2.121 5.182 -0.175) 5.602 9.800 ( 2.238 -5.482 -2.712) 6.513 9.985 ( -0.960 8.161 -4.519) 9.378 10.069 ( 0.921 6.898 0.206) 6.962 10.194 ( -2.912 -4.635 -1.166) 5.596 10.436 ( 0.171 5.311 1.435) 5.504 10.737 ( 2.699 8.341 -4.056) 9.659 10.976 ( -3.049 1.369 4.056) 5.256 11.316 ( -0.000 -3.118 2.662) 4.100 11.487 ( 1.143 3.624 0.369) 3.818 11.611 ( -1.486 3.424 -1.525) 4.032 11.688 ( 1.815 4.612 -1.878) 5.300 11.940 ( -1.091 1.072 -7.018) 7.183 12.145 ( 1.248 -1.062 -0.213) 1.652 12.324 ( 0.172 4.279 4.827) 6.453 12.402 ( 0.670 -11.217 0.807) 11.266 12.490 ( 3.932 2.020 -0.958) 4.523 12.585 ( -5.389 -2.963 -1.059) 6.241 12.851 ( 0.157 3.667 0.107) 3.672 13.378 ( 1.727 2.288 3.203) 4.299 13.430 ( -1.831 -7.146 -0.501) 7.394 13.593 ( 0.224 -3.670 2.359) 4.369 13.945 ( -0.861 7.870 -1.781) 8.115 14.372 ( 3.335 -3.573 -4.682) 6.768 14.562 ( -0.327 3.058 4.103) 5.128 15.086 ( -2.400 -7.900 -0.499) 8.272 15.249 ( -1.122 -6.139 1.341) 6.384 15.412 ( -0.338 -2.675 0.460) 2.735 15.562 ( -0.677 -8.277 0.097) 8.305 16.139 ( 8.245 -0.557 1.858) 8.470 16.190 ( -7.361 6.008 -2.768) 9.897 16.311 ( -0.403 4.752 2.320) 5.303 16.680 ( 0.617 -15.279 -2.862) 15.557 17.070 ( 2.036 -3.158 -0.879) 3.859 17.208 ( -0.918 -3.681 0.236) 3.801 17.405 ( 1.275 1.096 1.338) 2.148 17.521 ( -2.047 -0.046 0.620) 2.139 20.082 ( 2.088 -3.619 0.458) 4.203 20.234 ( 3.990 -8.271 -3.077) 9.685 20.448 ( -2.137 10.042 2.852) 10.656 20.738 ( 0.827 8.802 -2.721) 9.250 22.426 ( -2.568 -14.366 0.736) 14.612 22.753 ( 2.678 -1.998 -0.438) 3.370 22.831 ( -3.980 1.004 2.087) 4.605 23.215 ( 1.108 10.106 -1.793) 10.324 27.732 ( 1.606 -20.684 0.427) 20.750 27.791 ( -1.948 -23.772 2.491) 23.981 28.466 ( 0.479 23.805 0.819) 23.823 29.222 ( 1.980 13.566 -7.055) 15.419 30.799 ( -1.762 -5.921 2.245) 6.573 30.889 ( 0.372 -7.121 2.131) 7.442 31.035 ( -0.059 -14.642 -1.603) 14.729 31.364 ( 1.575 -2.058 1.294) 2.896 31.508 ( 0.532 2.169 1.732) 2.826 31.562 ( -0.548 6.840 0.868) 6.917 31.659 ( 0.242 9.489 -2.842) 9.909 32.790 ( 2.770 -1.512 -8.251) 8.834 33.189 ( -1.711 3.195 0.193) 3.630 33.282 ( 2.453 -2.435 -0.649) 3.516 33.452 ( 10.350 5.039 -6.427) 13.184 33.647 ( -2.277 10.801 -3.390) 11.547 35.384 ( -1.550 -0.880 2.706) 3.240 35.506 ( -1.239 -1.198 1.452) 2.254 35.635 ( -4.628 -1.137 6.954) 8.430 35.997 ( 2.597 0.065 -2.868) 3.869 36.223 ( -0.909 -1.255 1.041) 1.867 36.369 ( -7.689 0.568 9.426) 12.178 37.034 ( 0.698 -18.977 1.811) 19.076 38.294 ( 1.755 18.089 -5.729) 19.056 ======================= Grid point 91 (41/114) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 8.296 15.112 8.311) 19.138 2.070 ( 0.202 17.226 4.415) 17.784 2.390 ( 9.312 6.495 -2.710) 11.673 2.444 ( -7.004 -1.665 -5.840) 9.270 2.679 ( 0.308 -12.781 4.895) 13.690 2.973 ( -3.385 9.926 -4.651) 11.473 3.087 ( 11.834 -3.964 -1.166) 12.535 3.275 ( -5.696 -3.531 7.289) 9.902 3.367 ( 1.787 -3.235 -9.985) 10.647 3.479 ( 0.811 12.197 -1.379) 12.301 3.555 ( -3.155 7.744 0.024) 8.362 3.687 ( 0.262 -1.796 -2.546) 3.126 3.827 ( 1.015 -2.145 -6.145) 6.587 3.991 ( 2.496 -6.422 -1.834) 7.130 4.143 ( -5.035 1.463 9.920) 11.220 4.241 ( 2.805 -1.765 -1.487) 3.633 4.477 ( -8.002 -5.785 -0.664) 9.896 4.785 ( 3.519 3.583 -0.319) 5.032 4.820 ( 2.215 -2.534 -3.276) 4.697 5.054 ( 0.191 -0.489 3.332) 3.373 5.159 ( -0.749 -2.936 0.911) 3.164 5.263 ( 3.708 -10.177 1.097) 10.887 5.473 ( -2.103 0.487 -5.138) 5.573 5.539 ( 0.360 -0.492 4.395) 4.437 5.695 ( -0.824 1.886 7.225) 7.512 5.831 ( -2.592 5.570 -4.857) 7.832 5.977 ( 1.155 4.045 2.198) 4.746 6.184 ( -2.454 -5.357 2.161) 6.276 6.420 ( -0.348 1.140 -5.100) 5.238 6.575 ( -2.751 -5.969 -3.915) 7.650 7.715 ( 3.120 1.350 1.384) 3.670 7.851 ( -1.121 -0.516 -0.010) 1.234 8.083 ( 6.713 -0.036 5.580) 8.730 8.585 ( -2.295 3.992 -4.651) 6.545 8.953 ( -2.175 0.061 0.034) 2.176 9.006 ( -1.368 -4.082 -0.356) 4.320 9.176 ( -5.132 3.366 -0.614) 6.168 9.316 ( 1.952 1.562 2.535) 3.560 9.430 ( 4.443 2.806 4.058) 6.639 9.481 ( 0.623 -4.849 -0.646) 4.932 9.792 ( -3.399 6.181 -6.152) 9.360 9.848 ( -5.034 -1.550 -3.542) 6.347 10.090 ( 7.949 -4.905 3.331) 9.917 10.223 ( -1.773 2.637 -0.119) 3.179 10.368 ( -1.357 -1.074 0.601) 1.832 10.623 ( 3.293 5.292 -0.849) 6.290 10.968 ( -2.411 -0.677 3.992) 4.712 11.331 ( -2.357 3.375 1.537) 4.394 11.406 ( -2.959 3.065 -0.159) 4.263 11.529 ( 1.207 1.351 0.368) 1.849 11.625 ( 1.330 2.706 -3.803) 4.853 11.932 ( 2.507 -0.336 0.279) 2.544 12.232 ( 1.327 -4.538 1.073) 4.849 12.277 ( 1.303 1.962 2.049) 3.122 12.490 ( 3.434 -1.771 -2.898) 4.830 12.580 ( -4.214 -6.117 -1.294) 7.540 12.662 ( -3.218 1.446 -1.478) 3.825 12.683 ( -1.255 -0.536 -1.484) 2.016 13.340 ( -2.298 2.264 2.452) 4.052 13.559 ( 0.863 -4.609 -2.328) 5.236 13.761 ( 8.101 -7.621 7.415) 13.367 13.800 ( -0.166 5.807 -0.412) 5.824 14.257 ( 0.254 9.662 0.666) 9.688 14.631 ( 0.965 -2.542 -0.165) 2.724 15.166 ( -3.053 -0.776 1.512) 3.494 15.311 ( 2.950 -2.929 -2.308) 4.754 15.495 ( -1.272 -7.248 1.738) 7.561 15.608 ( -5.012 0.130 -2.889) 5.786 16.049 ( 0.757 5.301 1.850) 5.665 16.212 ( -2.757 6.372 0.979) 7.012 16.246 ( 6.516 -2.480 3.309) 7.717 16.901 ( -2.805 -12.295 -7.689) 14.770 17.144 ( 5.391 -2.898 -0.647) 6.155 17.235 ( -3.243 -0.130 -1.023) 3.403 17.381 ( 1.915 2.666 3.843) 5.054 17.497 ( -2.742 1.498 -0.551) 3.173 20.156 ( -0.459 9.265 -1.557) 9.406 20.199 ( 1.954 -4.666 -0.590) 5.093 20.505 ( 1.886 -10.088 0.496) 10.275 20.569 ( -0.051 8.097 -3.251) 8.726 22.581 ( -1.798 5.002 2.817) 6.016 22.683 ( -2.609 -6.498 1.776) 7.224 22.997 ( 1.872 -10.689 -2.264) 11.086 23.021 ( 0.348 10.124 -1.029) 10.183 28.021 ( -0.257 18.211 -0.039) 18.213 28.144 ( 5.687 -18.756 3.100) 19.843 28.233 ( -2.755 -20.050 3.206) 20.490 28.907 ( -4.389 14.389 -14.981) 21.230 30.893 ( 0.645 -2.047 4.101) 4.629 31.020 ( -1.028 -4.616 2.343) 5.278 31.204 ( 1.059 -4.903 -1.536) 5.246 31.317 ( -0.509 6.965 -1.904) 7.239 31.448 ( 1.753 3.255 0.696) 3.762 31.566 ( -2.888 -0.310 4.777) 5.591 31.594 ( 10.485 -3.954 0.634) 11.224 32.659 ( 3.411 10.422 -13.879) 17.689 33.069 ( -1.603 7.842 2.783) 8.475 33.294 ( 3.371 -0.314 -2.670) 4.312 33.433 ( -3.357 9.333 0.533) 9.933 33.580 ( 2.513 -10.408 -1.318) 10.788 35.392 ( -1.734 0.293 3.023) 3.497 35.518 ( -0.606 0.011 1.184) 1.330 35.645 ( -4.620 0.261 6.325) 7.837 35.990 ( 2.287 0.705 -3.519) 4.255 36.247 ( -2.154 -2.072 0.622) 3.052 36.369 ( -7.458 -1.224 10.056) 12.579 37.385 ( 4.451 -14.971 0.267) 15.620 37.982 ( 0.833 11.893 -6.457) 13.559 ======================= Grid point 92 (42/114) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 9.248 19.408 11.567) 24.413 1.824 ( 11.604 19.908 8.122) 24.432 2.278 ( 2.658 5.390 0.786) 6.061 2.372 ( 0.118 5.549 -8.248) 9.941 2.624 ( 0.251 13.723 -5.273) 14.703 2.805 ( -3.752 0.283 3.027) 4.829 3.196 ( 7.723 11.957 -3.098) 14.567 3.228 ( 8.376 13.380 13.041) 20.476 3.384 ( 2.156 -7.123 4.363) 8.627 3.435 ( -0.587 -9.395 -3.796) 10.150 3.613 ( -1.153 -7.873 0.694) 7.987 3.722 ( 1.594 -1.857 0.613) 2.523 3.796 ( -0.755 2.552 -1.215) 2.926 4.047 ( -1.779 -0.221 -2.427) 3.017 4.128 ( -5.298 -1.047 7.736) 9.434 4.274 ( 2.973 -1.960 -5.396) 6.465 4.474 ( -12.787 -3.465 -4.673) 14.048 4.765 ( 0.554 -1.979 -0.258) 2.071 4.848 ( 0.590 -0.170 -4.678) 4.719 5.095 ( -0.617 -1.955 3.007) 3.639 5.205 ( 0.133 -1.697 -4.054) 4.396 5.395 ( -5.892 1.074 -8.247) 10.192 5.492 ( 0.654 -9.109 -0.890) 9.176 5.571 ( 1.050 0.023 0.064) 1.052 5.696 ( -0.208 1.705 5.692) 5.946 5.762 ( 3.875 -2.655 6.045) 7.656 5.911 ( 0.753 5.017 3.267) 6.034 6.274 ( -0.523 -4.991 -1.144) 5.147 6.376 ( -1.732 0.381 -1.377) 2.245 6.596 ( -5.747 -2.509 -3.157) 7.021 7.757 ( 5.206 -0.651 2.034) 5.627 7.866 ( 2.514 -0.170 1.155) 2.772 8.128 ( 0.825 1.190 1.688) 2.224 8.447 ( -1.474 4.724 -5.187) 7.169 8.911 ( -4.828 -0.249 -1.902) 5.195 9.063 ( 1.536 -2.122 -0.443) 2.657 9.127 ( -0.934 0.069 1.098) 1.443 9.342 ( 2.254 -0.254 -0.196) 2.277 9.461 ( 2.802 1.271 6.955) 7.606 9.546 ( -0.074 -4.372 -0.316) 4.384 9.679 ( -0.329 0.746 -4.567) 4.640 9.866 ( -2.538 -5.541 -2.131) 6.456 10.118 ( -1.871 5.813 4.645) 7.672 10.243 ( 5.661 -0.864 4.248) 7.131 10.410 ( -1.917 -2.006 -0.585) 2.835 10.608 ( 1.735 -3.015 -0.603) 3.530 11.010 ( -1.460 -3.522 2.406) 4.508 11.221 ( -3.064 4.290 -1.107) 5.387 11.356 ( -2.129 0.424 -1.067) 2.419 11.564 ( 0.773 0.062 -2.665) 2.775 11.624 ( 5.941 -2.852 7.173) 9.741 11.932 ( -0.322 3.813 4.304) 5.759 12.266 ( 2.483 0.732 -1.663) 3.077 12.336 ( 0.366 -4.306 -0.732) 4.383 12.379 ( -1.424 10.392 -0.769) 10.517 12.560 ( -1.063 -4.603 -6.708) 8.204 12.689 ( 0.129 -7.625 1.420) 7.757 12.840 ( -4.065 -8.826 -1.503) 9.833 13.285 ( -2.083 2.692 1.935) 3.915 13.583 ( 0.362 0.268 -4.350) 4.374 13.716 ( 3.747 5.358 6.226) 9.029 13.964 ( -0.531 0.442 1.474) 1.628 14.185 ( 6.975 -3.093 6.446) 9.988 14.622 ( 0.602 2.321 -3.030) 3.864 15.098 ( -0.716 6.064 3.440) 7.008 15.375 ( -6.595 0.528 -4.311) 7.897 15.447 ( 0.713 1.874 -2.227) 2.996 15.688 ( -2.978 -8.803 -0.478) 9.305 15.976 ( 1.232 9.568 3.370) 10.218 16.064 ( 3.566 6.108 2.030) 7.359 16.384 ( 1.770 -6.440 2.065) 6.990 16.963 ( -5.996 -4.582 -10.175) 12.667 17.128 ( -3.776 5.535 -2.915) 7.307 17.254 ( 5.663 -3.056 -2.200) 6.800 17.396 ( -0.779 3.706 -0.542) 3.826 17.414 ( -0.187 1.829 3.488) 3.943 19.960 ( 0.865 9.478 -1.255) 9.600 20.257 ( 5.159 4.412 -8.958) 11.240 20.479 ( -3.684 -4.651 2.999) 6.648 20.710 ( 1.973 -10.215 -0.501) 10.416 22.431 ( -1.960 10.337 6.619) 12.430 22.746 ( 0.468 5.801 -3.189) 6.636 22.891 ( -3.510 -2.737 1.929) 4.851 23.200 ( 1.513 -10.729 -2.496) 11.119 27.642 ( 1.055 21.742 1.640) 21.829 28.363 ( -13.145 13.153 -16.061) 24.572 28.617 ( -1.978 -21.218 1.426) 21.358 28.665 ( 8.823 -15.339 -1.459) 17.756 30.891 ( 1.298 4.933 2.749) 5.794 31.026 ( -3.870 2.430 0.299) 4.579 31.133 ( -0.803 7.331 0.306) 7.381 31.336 ( 4.608 0.375 3.780) 5.972 31.461 ( -1.202 -4.796 -1.640) 5.210 31.571 ( -2.016 -4.761 1.544) 5.396 31.811 ( 13.332 -3.440 1.219) 13.823 32.443 ( 10.472 7.192 -10.779) 16.661 32.943 ( 2.873 7.766 2.914) 8.778 33.193 ( 1.401 11.459 -0.835) 11.574 33.385 ( -3.262 -4.329 0.918) 5.498 33.771 ( 1.427 -9.799 -1.902) 10.084 35.384 ( -1.685 1.034 3.016) 3.606 35.508 ( -0.170 1.333 0.787) 1.557 35.625 ( -4.242 1.777 5.472) 7.149 35.973 ( 2.151 0.691 -3.601) 4.251 36.266 ( -3.052 -2.276 -0.939) 3.921 36.402 ( -7.107 -1.831 9.763) 12.214 37.454 ( -8.713 5.480 -1.355) 10.382 37.993 ( 8.943 -11.718 -1.277) 14.796 ======================= Grid point 96 (43/114) ======================= q-point: ( 0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 0.938 0.000 6.754) 6.819 2.167 ( -2.446 -0.000 -6.270) 6.730 2.173 ( 2.171 0.000 8.624) 8.893 2.526 ( -2.044 -0.000 0.276) 2.062 2.742 ( 15.397 0.000 -13.642) 20.571 2.845 ( 5.416 0.000 -9.560) 10.988 3.010 ( 2.724 0.000 -1.548) 3.133 3.026 ( 0.511 0.000 -3.440) 3.478 3.191 ( 14.193 0.000 13.611) 19.665 3.256 ( 1.037 0.000 -5.236) 5.338 3.516 ( -1.171 -0.000 -8.178) 8.262 3.576 ( 0.020 0.000 -3.430) 3.430 3.816 ( -3.269 -0.000 -5.464) 6.367 3.822 ( 1.312 0.000 4.319) 4.514 3.974 ( -11.818 -0.000 4.563) 12.668 4.263 ( -3.470 -0.000 4.883) 5.990 4.317 ( -12.360 -0.000 5.254) 13.431 4.742 ( 1.656 0.000 2.666) 3.138 4.916 ( -3.776 -0.000 2.902) 4.762 4.929 ( 3.039 0.000 2.599) 3.999 5.086 ( 1.008 0.000 -3.003) 3.167 5.315 ( 3.300 0.000 -1.463) 3.610 5.586 ( -0.720 -0.000 -2.204) 2.319 5.653 ( -0.730 -0.000 0.737) 1.037 5.776 ( -2.839 -0.000 -0.280) 2.852 5.964 ( -2.080 -0.000 -9.147) 9.381 6.089 ( -1.567 -0.000 5.331) 5.556 6.299 ( 1.304 0.000 -1.114) 1.715 6.488 ( -2.412 -0.000 1.719) 2.962 6.550 ( -1.975 -0.000 1.009) 2.218 7.915 ( 5.203 0.000 1.347) 5.375 8.124 ( 1.093 0.000 2.586) 2.808 8.162 ( -1.865 -0.000 -0.586) 1.955 8.375 ( 4.784 0.000 -0.198) 4.788 8.796 ( -10.056 -0.000 -2.587) 10.383 8.933 ( -3.198 -0.000 0.843) 3.307 9.250 ( -0.875 -0.000 0.724) 1.136 9.413 ( 3.717 0.000 1.312) 3.942 9.485 ( -4.297 -0.000 -1.884) 4.692 9.586 ( 5.194 0.000 -2.373) 5.710 9.807 ( -2.827 -0.000 -2.255) 3.617 9.973 ( 6.409 0.000 1.408) 6.562 10.264 ( -0.965 -0.000 -0.429) 1.057 10.278 ( 9.432 0.000 3.653) 10.115 10.668 ( -1.992 -0.000 1.228) 2.340 11.007 ( -3.503 -0.000 6.199) 7.120 11.083 ( 2.637 0.000 -3.064) 4.043 11.124 ( 1.228 0.000 -1.512) 1.948 11.433 ( 0.157 0.000 -0.014) 0.157 11.700 ( -1.525 -0.000 -5.313) 5.528 11.840 ( 2.601 0.000 9.398) 9.751 11.935 ( 4.416 0.000 4.553) 6.343 12.213 ( -9.434 -0.000 -5.759) 11.053 12.324 ( -3.344 -0.000 -2.127) 3.963 12.432 ( -3.974 -0.000 -2.766) 4.842 12.774 ( 1.550 0.000 4.723) 4.971 12.810 ( 2.644 0.000 -16.445) 16.657 12.917 ( 5.468 0.000 -0.036) 5.468 13.341 ( 1.907 0.000 4.203) 4.615 13.424 ( -5.869 -0.000 0.231) 5.873 13.579 ( 4.880 0.000 2.908) 5.681 13.718 ( -0.108 -0.000 1.156) 1.161 14.310 ( -12.337 -0.000 -7.599) 14.490 14.492 ( 0.518 0.000 -0.912) 1.048 14.546 ( 1.136 0.000 -1.501) 1.883 14.888 ( -5.679 -0.000 2.892) 6.373 15.024 ( 0.502 0.000 -0.333) 0.602 15.268 ( 0.410 0.000 -1.259) 1.324 15.865 ( 9.597 0.000 -0.268) 9.601 16.449 ( 5.009 0.000 -0.319) 5.020 16.564 ( -6.387 -0.000 -0.407) 6.400 16.641 ( -5.392 -0.000 -0.032) 5.392 16.896 ( 0.626 0.000 0.095) 0.633 16.993 ( -0.299 -0.000 -0.396) 0.496 17.186 ( -0.735 -0.000 -0.266) 0.781 17.544 ( 0.296 0.000 2.045) 2.066 19.875 ( 3.930 0.000 -2.668) 4.750 20.077 ( 4.822 0.000 2.676) 5.515 20.964 ( 0.124 0.000 1.272) 1.278 21.009 ( 0.303 0.000 0.327) 0.446 21.912 ( -3.683 -0.000 1.253) 3.890 22.359 ( 1.141 0.000 -1.724) 2.067 23.248 ( -1.799 -0.000 1.791) 2.539 23.500 ( 1.295 0.000 -1.593) 2.053 26.954 ( 0.048 0.000 0.146) 0.153 26.961 ( 0.122 0.000 0.009) 0.122 29.431 ( 0.448 0.000 -0.667) 0.804 29.684 ( 2.509 0.000 -0.653) 2.593 30.248 ( -3.620 -0.000 -2.149) 4.210 30.651 ( -2.609 -0.000 1.759) 3.146 30.664 ( -2.295 -0.000 -0.212) 2.305 31.232 ( 1.198 0.000 -1.173) 1.677 31.358 ( -0.032 -0.000 1.658) 1.658 32.001 ( 0.222 0.000 -0.851) 0.880 32.192 ( 2.304 0.000 -0.026) 2.304 32.444 ( 0.333 0.000 -1.406) 1.445 32.755 ( 0.253 0.000 -2.786) 2.797 33.413 ( -4.165 -0.000 4.676) 6.262 33.864 ( 13.166 0.000 -13.746) 19.034 34.234 ( 26.654 0.000 -29.872) 40.035 35.305 ( -1.647 -0.000 1.036) 1.946 35.516 ( 0.672 0.000 0.133) 0.685 35.571 ( -3.938 -0.000 7.745) 8.689 35.937 ( 1.254 0.000 -3.695) 3.902 36.150 ( -1.921 -0.000 7.076) 7.332 36.206 ( 0.564 0.000 0.256) 0.620 36.622 ( -28.537 -0.000 22.494) 36.337 38.961 ( 2.689 0.000 0.296) 2.705 ======================= Grid point 97 (44/114) ======================= q-point: (-0.50 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -5.615 -0.477 -0.535) 5.660 1.939 ( -3.248 9.406 4.770) 11.035 2.200 ( -2.082 -7.766 -6.507) 10.343 2.677 ( -0.769 -13.756 -4.909) 14.626 2.730 ( 8.064 2.768 -5.705) 10.259 2.838 ( 10.129 5.100 -8.866) 14.395 3.075 ( 2.088 1.166 -3.802) 4.492 3.143 ( 3.673 -7.302 -0.258) 8.178 3.201 ( -0.204 -0.924 -4.276) 4.379 3.397 ( 1.921 -8.960 4.988) 10.434 3.532 ( 2.263 1.407 -2.041) 3.357 3.543 ( 4.138 -4.311 -3.236) 6.796 3.763 ( 1.188 0.661 -3.575) 3.825 3.876 ( -1.300 -2.698 -3.212) 4.392 3.976 ( -2.277 -1.877 17.417) 17.665 4.230 ( -9.091 1.552 3.035) 9.709 4.301 ( -5.384 -3.691 2.873) 7.131 4.760 ( 1.344 0.357 1.009) 1.718 4.873 ( -1.402 2.031 2.844) 3.766 4.976 ( 1.598 -1.747 1.207) 2.657 5.032 ( -4.100 2.967 -3.168) 5.971 5.333 ( 5.174 3.330 4.470) 7.606 5.596 ( -0.742 0.254 -2.565) 2.682 5.641 ( -1.292 -4.358 -2.096) 5.005 5.807 ( -2.924 -2.502 -4.872) 6.209 5.884 ( -1.802 0.175 -5.430) 5.724 6.082 ( -1.051 -0.746 0.472) 1.373 6.238 ( 1.482 7.469 0.224) 7.618 6.471 ( -1.918 3.684 0.457) 4.178 6.490 ( -1.625 2.459 0.191) 2.954 7.896 ( 0.084 2.741 -1.996) 3.391 8.048 ( -3.204 6.751 -1.464) 7.615 8.154 ( 3.608 3.911 5.153) 7.407 8.477 ( 3.740 -5.873 1.111) 7.051 8.765 ( -1.194 -2.310 2.484) 3.596 8.958 ( -1.898 -3.485 1.331) 4.185 9.160 ( -1.071 6.253 0.981) 6.420 9.420 ( 0.543 0.975 -0.271) 1.148 9.496 ( -2.105 -1.455 -1.743) 3.096 9.587 ( 2.223 0.768 -3.263) 4.022 9.769 ( -0.458 0.875 -1.909) 2.149 10.015 ( 1.078 -1.909 -2.448) 3.286 10.228 ( 0.071 2.868 1.276) 3.140 10.386 ( 7.080 0.005 0.425) 7.092 10.546 ( -8.093 7.434 -1.028) 11.037 10.995 ( -2.238 2.273 0.791) 3.287 11.034 ( -1.185 2.909 -2.004) 3.726 11.166 ( 1.674 -3.270 1.304) 3.898 11.444 ( -0.105 -2.487 -1.881) 3.120 11.658 ( -2.590 0.718 -4.269) 5.045 11.883 ( 1.172 3.007 8.730) 9.308 11.976 ( -2.679 -1.525 -4.486) 5.443 12.122 ( 3.107 0.054 0.813) 3.212 12.355 ( -0.525 -2.980 -0.181) 3.031 12.451 ( 4.846 3.675 -0.889) 6.146 12.571 ( -3.401 9.593 -8.153) 13.041 12.791 ( 2.172 5.034 2.101) 5.871 12.823 ( 4.126 8.072 2.575) 9.424 13.313 ( 1.148 2.416 1.092) 2.889 13.412 ( -4.144 -2.121 2.933) 5.503 13.652 ( -0.720 3.978 -0.736) 4.109 13.837 ( -1.148 -15.922 -1.064) 15.999 14.194 ( 2.142 4.243 -0.010) 4.753 14.598 ( 0.948 -11.780 -0.947) 11.856 14.754 ( 0.932 -12.275 -3.155) 12.709 14.943 ( -3.112 -11.196 4.275) 12.382 15.067 ( -0.835 -3.584 -0.381) 3.700 15.265 ( 0.974 -2.227 0.229) 2.441 16.014 ( 6.733 -8.665 -1.177) 11.036 16.411 ( -1.708 5.437 -3.137) 6.505 16.443 ( -2.588 6.224 0.929) 6.805 16.554 ( -2.093 5.768 1.118) 6.237 16.928 ( 1.538 -3.247 -0.064) 3.593 17.052 ( 0.104 -4.917 0.243) 4.925 17.254 ( -0.012 -6.596 -0.046) 6.596 17.543 ( -1.629 0.373 0.626) 1.784 19.943 ( 4.349 -4.938 -0.892) 6.641 20.090 ( 1.378 2.147 1.634) 3.030 20.853 ( -1.139 9.679 1.838) 9.917 21.005 ( 0.929 3.652 -0.711) 3.835 21.968 ( -3.114 -8.370 1.002) 8.987 22.424 ( 0.857 -7.192 -2.507) 7.664 23.163 ( -2.434 8.086 1.967) 8.670 23.467 ( 1.024 3.562 -2.031) 4.226 27.071 ( -0.548 -12.624 1.015) 12.676 27.086 ( 0.722 -13.017 -0.071) 13.037 29.243 ( 1.136 17.888 0.640) 17.936 29.633 ( 0.262 6.628 -3.799) 7.644 30.395 ( 0.862 -15.721 -0.435) 15.751 30.665 ( -1.275 -2.167 2.951) 3.877 30.690 ( -0.352 -3.264 1.577) 3.642 31.269 ( 2.112 -2.417 1.104) 3.394 31.400 ( -0.192 -3.200 2.465) 4.043 31.905 ( -0.098 8.639 -1.152) 8.716 32.084 ( 0.694 10.831 -2.072) 11.049 32.524 ( -0.353 -8.532 -3.111) 9.089 32.849 ( 0.423 -10.576 -3.171) 11.049 33.391 ( -2.935 2.536 5.483) 6.716 33.832 ( 10.848 5.800 -10.837) 16.394 34.122 ( 19.766 13.490 -28.888) 37.513 35.321 ( -1.005 -1.956 1.559) 2.695 35.495 ( -0.958 1.705 1.306) 2.351 35.590 ( -3.955 -0.816 6.880) 7.977 35.968 ( 2.877 -2.611 -3.583) 5.285 36.206 ( -0.171 -0.488 2.087) 2.150 36.279 ( 1.752 -7.212 5.619) 9.309 36.559 ( -22.576 -2.840 21.610) 31.380 38.863 ( -0.602 10.352 -3.797) 11.043 ======================= Grid point 98 (45/114) ======================= q-point: (-0.38 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -4.912 -8.637 3.983) 10.705 1.993 ( -4.213 -5.261 7.316) 9.947 2.278 ( 0.168 -6.007 -6.790) 9.068 2.627 ( -0.075 7.358 -6.706) 9.956 2.854 ( 4.417 2.708 -5.964) 7.900 2.906 ( 8.578 -5.625 -4.048) 11.028 2.937 ( -1.426 -0.231 -4.597) 4.818 3.135 ( -2.443 -5.215 -0.880) 5.826 3.326 ( 3.614 -2.790 -11.191) 12.087 3.503 ( 0.414 -4.848 5.047) 7.010 3.596 ( 4.766 -1.638 -5.262) 7.286 3.633 ( -2.047 -7.689 -5.199) 9.505 3.774 ( 2.483 0.572 -0.758) 2.658 3.890 ( 1.593 1.850 -2.534) 3.518 4.103 ( -3.430 -2.694 6.698) 7.993 4.168 ( -3.709 -0.749 10.018) 10.709 4.350 ( -3.737 -3.393 2.474) 5.621 4.766 ( 0.490 -0.346 -1.172) 1.316 4.856 ( -3.181 0.968 3.849) 5.086 4.973 ( -1.410 -1.719 0.854) 2.381 5.038 ( 3.898 -2.657 0.104) 4.719 5.324 ( 3.956 4.914 7.759) 10.000 5.517 ( -3.638 2.377 -5.785) 7.235 5.656 ( -1.974 6.938 -2.346) 7.585 5.773 ( 1.026 -6.710 -1.986) 7.073 5.918 ( -4.514 -2.334 -2.206) 5.540 6.044 ( 4.413 8.394 1.825) 9.658 6.194 ( 0.201 -6.280 -2.719) 6.846 6.325 ( -2.296 9.000 2.623) 9.652 6.467 ( -1.561 -0.807 -4.487) 4.819 7.849 ( -0.651 1.099 0.147) 1.286 7.895 ( 1.114 7.432 -0.201) 7.518 8.145 ( 6.336 4.067 6.066) 9.669 8.558 ( -6.343 -4.034 -2.746) 8.003 8.846 ( 0.625 -3.611 1.411) 3.926 9.014 ( 4.504 1.575 5.061) 6.955 9.124 ( -1.466 -3.892 0.371) 4.176 9.394 ( -1.370 1.585 0.463) 2.146 9.442 ( -2.670 2.871 -2.390) 4.591 9.575 ( 1.864 1.000 -1.339) 2.503 9.770 ( 4.130 -1.017 -0.869) 4.342 10.011 ( -5.443 -0.357 -6.179) 8.242 10.162 ( 0.923 5.371 -1.026) 5.546 10.246 ( -0.572 10.968 -1.068) 11.035 10.469 ( -3.474 -0.305 0.005) 3.488 10.858 ( -0.394 7.708 -5.965) 9.755 10.998 ( -3.694 0.840 3.235) 4.982 11.260 ( 0.806 -4.521 2.821) 5.390 11.517 ( 3.799 -4.572 -2.416) 6.417 11.579 ( -6.219 2.340 -1.068) 6.730 11.789 ( -4.956 5.109 -2.264) 7.470 11.979 ( 7.351 5.952 -5.976) 11.188 12.161 ( -2.060 0.502 -3.882) 4.423 12.255 ( 3.187 -0.976 1.420) 3.623 12.395 ( -2.786 -0.330 2.808) 3.969 12.543 ( 0.750 2.944 2.365) 3.850 12.638 ( 4.445 8.579 1.125) 9.727 12.864 ( 1.606 -1.408 2.429) 3.235 13.357 ( 3.349 -3.569 3.540) 6.040 13.423 ( -2.680 -0.087 0.893) 2.827 13.583 ( 1.337 1.553 2.483) 3.220 13.926 ( -10.678 -3.556 -10.090) 15.116 14.302 ( 13.694 -5.261 7.890) 16.657 14.692 ( 0.111 4.812 -3.243) 5.804 14.903 ( -2.365 -9.756 1.897) 10.216 15.118 ( -0.581 -7.615 1.002) 7.702 15.263 ( 0.621 -13.985 0.704) 14.017 15.407 ( 2.121 -9.860 2.000) 10.281 16.149 ( -3.503 1.250 -2.670) 4.578 16.258 ( 3.427 1.996 -2.418) 4.645 16.409 ( -5.444 -0.902 0.223) 5.522 16.470 ( 5.480 0.661 2.187) 5.937 17.022 ( 3.082 -4.389 0.785) 5.420 17.132 ( -0.950 -4.093 0.005) 4.202 17.375 ( 0.868 -5.423 0.537) 5.518 17.517 ( -2.553 0.734 -0.017) 2.656 20.069 ( -0.551 0.409 0.939) 1.163 20.096 ( 4.336 -8.295 -0.564) 9.377 20.655 ( -1.901 11.996 2.068) 12.321 20.890 ( 1.066 8.519 -2.025) 8.821 22.154 ( -2.638 -13.639 0.690) 13.909 22.579 ( 1.199 -10.618 -2.985) 11.095 22.982 ( -3.264 10.176 2.705) 11.023 23.366 ( 0.956 7.120 -2.364) 7.562 27.373 ( -2.099 -20.374 1.825) 20.563 27.409 ( 3.730 -20.087 1.433) 20.481 28.896 ( 1.803 22.265 1.852) 22.415 29.415 ( -2.821 12.782 -7.597) 15.134 30.691 ( 2.366 -10.013 2.158) 10.513 30.766 ( -0.973 -10.640 2.932) 11.080 30.798 ( 3.566 -7.202 2.949) 8.561 31.352 ( 3.381 -2.866 3.169) 5.448 31.476 ( -1.670 -3.786 2.779) 4.984 31.724 ( -0.114 9.804 -1.476) 9.915 31.854 ( 0.693 12.616 -3.594) 13.137 32.653 ( -0.578 -8.252 -6.706) 10.649 33.045 ( -0.210 -11.960 -2.982) 12.327 33.342 ( -1.049 4.393 5.225) 6.907 33.695 ( 13.960 13.575 -16.593) 25.583 33.810 ( 1.728 12.972 -12.540) 18.125 35.364 ( -0.855 -2.009 2.395) 3.241 35.482 ( -1.783 -0.624 1.844) 2.640 35.615 ( -3.976 -1.320 5.923) 7.255 36.003 ( 2.891 -0.542 -2.212) 3.680 36.219 ( -0.060 0.198 2.600) 2.608 36.365 ( -7.378 -0.138 8.062) 10.929 36.744 ( -2.071 -16.680 12.833) 21.146 38.572 ( -1.873 16.430 -7.947) 18.346 ======================= Grid point 99 (46/114) ======================= q-point: (-0.25 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 2.150 -5.736 6.074) 8.626 2.126 ( -6.687 -8.695 4.432) 11.830 2.423 ( 2.960 -11.279 1.030) 11.706 2.431 ( 3.132 7.892 -2.909) 8.975 2.651 ( -1.283 10.578 -2.392) 10.920 3.003 ( 1.635 -6.598 2.584) 7.272 3.069 ( 5.716 -4.045 -3.686) 7.913 3.177 ( -1.311 3.197 -6.299) 7.185 3.323 ( 0.704 -2.222 -1.224) 2.632 3.550 ( -0.937 -1.355 -8.830) 8.983 3.672 ( -0.494 -1.967 -8.665) 8.900 3.705 ( 2.236 -0.185 -14.590) 14.762 3.734 ( 1.649 8.721 9.017) 12.652 3.766 ( -1.263 -9.814 -5.694) 11.416 4.128 ( -7.924 -2.522 4.615) 9.510 4.278 ( 4.897 -2.504 3.578) 6.562 4.369 ( -4.612 0.064 5.325) 7.045 4.771 ( 0.059 -0.621 -1.312) 1.453 4.851 ( -1.683 -0.632 2.436) 3.027 5.026 ( 0.918 -2.040 -0.996) 2.448 5.130 ( 3.748 -3.873 -0.431) 5.407 5.286 ( 0.136 6.752 8.982) 11.238 5.436 ( -1.234 0.146 -4.638) 4.802 5.573 ( 0.779 1.897 3.850) 4.362 5.792 ( -1.982 3.505 2.375) 4.675 5.854 ( -0.489 1.653 -4.264) 4.600 6.057 ( 5.622 -0.281 2.361) 6.105 6.166 ( -2.944 5.854 5.147) 8.332 6.310 ( -3.678 -7.253 -6.525) 10.426 6.457 ( -0.668 -2.449 -3.756) 4.533 7.815 ( 5.180 4.368 1.787) 7.007 7.856 ( 1.182 -0.371 2.562) 2.846 8.181 ( 6.570 1.858 5.110) 8.528 8.505 ( -12.392 -1.402 -5.492) 13.627 8.903 ( 0.716 -2.703 -0.520) 2.844 9.036 ( 4.198 2.917 4.088) 6.546 9.170 ( -2.845 -0.688 -1.047) 3.108 9.373 ( -0.250 2.776 1.307) 3.079 9.391 ( -0.816 -3.791 0.142) 3.881 9.543 ( 2.436 3.341 -1.875) 4.540 9.824 ( -1.536 1.446 0.094) 2.112 9.848 ( -2.031 7.074 -6.101) 9.560 10.085 ( 3.496 -1.631 -1.140) 4.023 10.188 ( -0.404 -2.407 -0.527) 2.497 10.399 ( -3.515 4.794 0.561) 5.972 10.711 ( -0.221 4.749 -4.608) 6.621 10.978 ( -2.320 0.882 4.225) 4.900 11.350 ( -0.513 -1.951 3.408) 3.961 11.452 ( -5.091 4.821 0.149) 7.013 11.581 ( 2.214 2.094 -0.446) 3.080 11.655 ( -1.782 3.386 -5.242) 6.490 11.875 ( 0.943 -2.540 -9.219) 9.609 12.209 ( 5.603 -1.398 3.244) 6.624 12.352 ( -2.609 -1.930 -0.565) 3.294 12.403 ( -1.343 -3.764 4.144) 5.758 12.504 ( 0.610 0.422 1.089) 1.317 12.574 ( 3.310 2.393 -0.182) 4.088 12.821 ( -2.273 7.126 -2.590) 7.916 13.364 ( -2.841 1.345 3.035) 4.369 13.498 ( 3.559 -3.288 0.081) 4.847 13.700 ( 6.751 -7.566 5.080) 11.342 13.841 ( -4.712 -0.352 -5.764) 7.453 14.451 ( 3.633 8.522 2.177) 9.516 14.581 ( 0.413 -2.491 1.977) 3.207 15.055 ( -0.815 -7.719 0.398) 7.772 15.254 ( -0.666 -6.751 1.506) 6.949 15.411 ( 0.645 -2.912 -0.715) 3.067 15.572 ( 1.290 -2.800 -0.038) 3.083 16.024 ( -6.487 -0.323 -0.585) 6.522 16.283 ( 2.095 3.096 0.315) 3.752 16.375 ( 4.016 1.368 2.452) 4.901 16.628 ( 1.617 -10.456 -3.437) 11.125 17.120 ( 2.394 -3.473 1.163) 4.375 17.186 ( -0.472 -2.687 -0.791) 2.841 17.439 ( 0.639 -0.181 2.091) 2.194 17.486 ( -2.470 0.335 -0.381) 2.522 20.099 ( -0.992 -4.202 0.946) 4.420 20.261 ( 3.632 -4.107 -3.067) 6.282 20.456 ( -1.331 7.020 3.530) 7.969 20.716 ( 0.888 9.809 -3.365) 10.408 22.389 ( -2.725 -13.928 0.058) 14.192 22.776 ( 2.708 -9.609 -3.238) 10.495 22.807 ( -3.550 6.767 4.540) 8.888 23.209 ( 1.116 9.716 -2.175) 10.019 27.751 ( -3.823 -22.949 1.300) 23.301 27.847 ( 8.347 -21.359 3.827) 23.250 28.512 ( 2.333 23.758 2.861) 24.044 29.060 ( -7.022 16.281 -11.684) 21.234 30.836 ( 0.935 -6.019 3.995) 7.285 30.947 ( 1.593 -6.647 5.345) 8.677 31.045 ( 2.578 -11.318 -0.648) 11.626 31.410 ( 0.333 3.206 2.141) 3.870 31.516 ( -3.352 -0.923 2.498) 4.281 31.589 ( 0.336 6.442 -0.213) 6.454 31.670 ( 8.840 3.271 -2.056) 9.647 32.680 ( -0.248 -0.214 -14.571) 14.575 33.163 ( -1.729 0.510 -0.347) 1.835 33.298 ( 1.411 0.458 -2.868) 3.228 33.454 ( -1.070 3.382 -6.019) 6.987 33.620 ( 3.926 8.873 -2.028) 9.913 35.394 ( -1.491 -0.659 2.915) 3.340 35.504 ( -1.297 -1.561 1.670) 2.628 35.638 ( -4.096 -0.972 5.508) 6.932 36.008 ( 2.800 0.835 -2.464) 3.822 36.227 ( -0.748 0.240 2.638) 2.753 36.348 ( -8.731 -0.267 9.714) 13.064 37.141 ( 6.436 -17.963 5.894) 19.971 38.201 ( -1.870 16.810 -9.893) 19.595 ======================= Grid point 100 (47/114) ======================= q-point: (-0.12 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 7.697 11.927 4.116) 14.780 2.209 ( 8.866 8.230 4.917) 13.059 2.287 ( -6.763 -3.974 -1.740) 8.035 2.491 ( 5.006 6.819 -3.366) 9.104 2.717 ( -5.471 -6.311 4.251) 9.372 2.904 ( 1.565 18.704 -2.146) 18.892 3.127 ( -5.320 -13.159 0.718) 14.212 3.254 ( 5.400 -7.388 -4.166) 10.055 3.380 ( 4.712 -2.939 2.195) 5.972 3.488 ( 2.066 5.009 -1.899) 5.741 3.546 ( 1.641 0.559 -3.174) 3.617 3.679 ( 0.750 -3.656 -8.906) 9.657 3.739 ( 1.990 -0.779 -0.442) 2.182 3.962 ( -3.258 -9.384 -1.044) 9.988 4.110 ( -8.474 0.301 4.931) 9.809 4.310 ( 2.255 1.852 -3.922) 4.888 4.383 ( -0.649 0.155 8.062) 8.089 4.747 ( 0.079 1.688 -2.751) 3.228 4.848 ( -1.942 0.515 -2.024) 2.852 5.058 ( -3.114 -7.302 -7.548) 10.954 5.173 ( 4.028 4.075 4.102) 7.046 5.258 ( -4.004 -2.184 0.013) 4.561 5.424 ( 2.859 0.720 0.001) 2.949 5.586 ( -1.982 0.789 2.766) 3.493 5.729 ( -3.597 2.413 -1.181) 4.490 5.833 ( 5.155 0.325 5.434) 7.497 6.029 ( 1.150 4.258 1.526) 4.667 6.191 ( -1.311 -3.900 4.136) 5.834 6.325 ( -1.590 -1.314 -5.093) 5.495 6.495 ( -1.853 -3.434 -1.577) 4.209 7.813 ( 3.313 1.567 1.708) 4.043 7.916 ( 7.643 -0.763 2.666) 8.130 8.176 ( -2.762 3.756 1.169) 4.806 8.401 ( -8.006 -0.808 -5.160) 9.559 8.935 ( 4.087 2.413 0.258) 4.753 9.037 ( -0.092 -0.881 1.151) 1.453 9.129 ( -1.967 1.086 -0.957) 2.442 9.338 ( 0.021 0.565 -1.076) 1.215 9.481 ( 1.460 -2.364 -4.349) 5.161 9.507 ( 1.282 -1.009 0.017) 1.632 9.732 ( -1.467 3.367 3.452) 5.041 9.748 ( -1.113 -0.191 1.177) 1.631 10.242 ( 3.466 -1.316 1.864) 4.150 10.246 ( 2.671 -7.206 -0.456) 7.699 10.298 ( -2.474 2.243 0.487) 3.374 10.613 ( -2.276 2.566 -2.944) 4.520 10.980 ( -1.503 -0.346 3.161) 3.517 11.301 ( -1.582 5.773 0.379) 5.997 11.362 ( -2.526 1.754 1.313) 3.344 11.549 ( -1.117 0.493 -4.562) 4.722 11.649 ( 5.033 -2.663 4.130) 7.034 11.929 ( -0.277 -4.437 -3.425) 5.612 12.284 ( 2.761 -1.239 1.068) 3.209 12.316 ( 0.717 2.836 1.125) 3.134 12.458 ( -4.178 -1.782 -2.613) 5.240 12.532 ( 1.954 0.983 -1.627) 2.725 12.603 ( -0.460 4.817 -0.863) 4.915 12.666 ( -1.061 -6.781 1.009) 6.938 13.323 ( -2.792 2.357 1.384) 3.908 13.566 ( 2.108 -1.335 -0.556) 2.556 13.792 ( -0.308 -0.658 -0.040) 0.728 13.945 ( 5.095 -7.266 1.498) 9.000 14.269 ( -2.764 7.872 3.082) 8.895 14.640 ( 2.288 0.827 -1.938) 3.110 15.145 ( -1.952 -1.498 3.051) 3.919 15.358 ( 2.462 -0.450 0.914) 2.665 15.459 ( -3.513 -7.363 -1.199) 8.246 15.508 ( -1.196 3.626 -2.159) 4.387 16.086 ( -0.612 -2.464 2.521) 3.578 16.175 ( -1.863 5.502 0.705) 5.851 16.416 ( 7.177 1.947 2.651) 7.895 16.756 ( -2.215 -6.617 -7.278) 10.083 17.168 ( -3.063 1.702 -0.990) 3.642 17.221 ( 4.469 -3.190 0.148) 5.492 17.430 ( -3.209 2.635 -1.816) 4.532 17.461 ( 1.314 0.402 3.884) 4.119 20.139 ( 0.847 9.774 -1.781) 9.971 20.214 ( 0.610 -6.387 -0.359) 6.426 20.505 ( -0.550 4.714 -2.488) 5.358 20.566 ( 2.372 -4.410 -0.172) 5.010 22.576 ( -2.188 -5.643 1.854) 6.330 22.662 ( -2.874 4.237 2.910) 5.889 22.991 ( 1.131 -8.083 -2.235) 8.462 23.030 ( 1.897 6.710 -1.229) 7.081 28.035 ( 0.482 9.450 1.844) 9.641 28.205 ( -3.390 -12.051 0.848) 12.548 28.306 ( 6.784 -10.013 2.866) 12.429 28.642 ( -4.059 11.964 -11.066) 16.795 30.960 ( 0.360 -2.649 4.256) 5.026 31.010 ( -2.734 1.425 1.717) 3.529 31.215 ( 0.759 -3.561 -0.099) 3.643 31.318 ( 1.495 2.156 -0.147) 2.628 31.464 ( 0.533 3.545 0.745) 3.662 31.516 ( -4.511 -0.617 1.153) 4.697 31.833 ( 11.325 -4.935 -1.266) 12.418 32.532 ( 4.565 3.918 -14.538) 15.734 33.081 ( -0.353 4.693 1.648) 4.986 33.302 ( -0.770 -1.897 -0.542) 2.118 33.389 ( -0.490 7.540 -0.883) 7.607 33.604 ( 1.673 -6.734 -0.967) 7.006 35.400 ( -1.895 0.326 3.071) 3.623 35.521 ( -0.871 -0.177 1.187) 1.483 35.643 ( -4.199 0.331 5.496) 6.924 35.994 ( 2.951 1.351 -3.139) 4.516 36.228 ( -1.389 0.054 1.623) 2.137 36.359 ( -8.345 -2.018 10.161) 13.303 37.451 ( 2.526 -4.863 -0.913) 5.555 37.923 ( 2.416 3.032 -5.857) 7.024 ======================= Grid point 105 (48/114) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -8.198 -0.000 -0.818) 8.239 1.894 ( -19.624 -0.000 -15.388) 24.938 2.071 ( -0.775 -0.000 -8.630) 8.665 2.612 ( 6.507 0.000 -8.004) 10.316 2.822 ( 3.493 0.000 -9.375) 10.005 2.907 ( 9.551 0.000 3.507) 10.174 2.920 ( -6.299 -0.000 -5.565) 8.406 3.051 ( 3.166 0.000 0.878) 3.286 3.291 ( 6.892 0.000 -0.451) 6.906 3.394 ( -1.402 -0.000 8.225) 8.344 3.539 ( 10.180 0.000 -1.988) 10.372 3.565 ( 3.027 0.000 2.839) 4.150 3.742 ( 1.104 0.000 -6.069) 6.169 3.808 ( -2.264 -0.000 -3.269) 3.976 4.085 ( 1.159 0.000 20.735) 20.767 4.212 ( -4.219 -0.000 1.543) 4.492 4.233 ( -4.508 -0.000 5.157) 6.850 4.783 ( 0.812 0.000 2.148) 2.297 4.912 ( -1.048 -0.000 3.949) 4.086 4.913 ( -4.078 -0.000 -0.373) 4.095 5.061 ( 1.242 0.000 -4.521) 4.689 5.390 ( -1.540 -0.000 -1.066) 1.873 5.576 ( -4.497 -0.000 -6.847) 8.192 5.582 ( 2.095 0.000 -1.184) 2.407 5.690 ( -1.073 -0.000 -2.128) 2.383 5.837 ( 0.209 0.000 -8.760) 8.762 6.100 ( -0.495 -0.000 1.457) 1.539 6.322 ( 2.526 0.000 0.364) 2.553 6.436 ( -4.087 -0.000 -2.269) 4.675 6.555 ( -0.289 -0.000 1.440) 1.469 7.878 ( -5.285 -0.000 -3.036) 6.095 8.057 ( -5.354 -0.000 -4.450) 6.962 8.274 ( 6.967 0.000 7.379) 10.149 8.453 ( 1.293 0.000 2.662) 2.960 8.813 ( 8.178 0.000 7.314) 10.972 8.907 ( -1.069 -0.000 0.340) 1.122 9.236 ( -1.289 -0.000 -0.368) 1.341 9.396 ( -2.187 -0.000 -1.354) 2.572 9.487 ( 2.668 0.000 -2.210) 3.464 9.558 ( -2.097 -0.000 -7.574) 7.859 9.744 ( -1.816 -0.000 -2.660) 3.221 9.972 ( -2.374 -0.000 -2.756) 3.637 10.289 ( 1.175 0.000 1.590) 1.978 10.374 ( -4.673 -0.000 3.614) 5.908 10.593 ( 0.155 0.000 -4.440) 4.443 10.967 ( -7.611 -0.000 2.347) 7.964 11.043 ( -0.029 -0.000 -5.465) 5.465 11.157 ( 3.413 0.000 -0.141) 3.416 11.395 ( -2.361 -0.000 -2.627) 3.532 11.633 ( -0.222 -0.000 -4.291) 4.296 11.880 ( -6.465 -0.000 -5.147) 8.264 11.967 ( -1.618 -0.000 11.065) 11.183 12.211 ( 9.578 0.000 5.961) 11.282 12.326 ( 3.830 0.000 0.391) 3.850 12.565 ( 8.463 0.000 8.866) 12.257 12.568 ( -4.626 -0.000 -15.254) 15.940 12.895 ( 6.952 0.000 -1.571) 7.127 12.969 ( -0.014 -0.000 0.260) 0.260 13.347 ( -2.880 -0.000 -0.014) 2.880 13.431 ( 1.862 0.000 4.862) 5.207 13.544 ( -6.745 -0.000 -4.121) 7.904 13.708 ( -2.515 -0.000 -2.220) 3.354 14.315 ( 14.515 0.000 7.867) 16.510 14.512 ( 1.868 0.000 0.892) 2.070 14.566 ( 2.218 0.000 -0.180) 2.226 14.854 ( -2.502 -0.000 2.452) 3.503 15.023 ( 0.147 0.000 -0.830) 0.843 15.264 ( 0.640 0.000 -1.336) 1.482 15.945 ( 0.394 0.000 -0.350) 0.527 16.455 ( -1.203 -0.000 -4.237) 4.404 16.509 ( 0.637 0.000 0.196) 0.667 16.584 ( -1.297 -0.000 0.030) 1.298 16.917 ( 1.104 0.000 1.029) 1.509 17.000 ( 0.891 0.000 0.491) 1.017 17.183 ( 0.243 0.000 0.377) 0.449 17.525 ( -3.386 -0.000 -1.140) 3.572 19.934 ( 4.566 0.000 0.908) 4.655 20.114 ( -2.810 -0.000 0.808) 2.924 20.969 ( -1.125 -0.000 0.933) 1.462 21.020 ( 0.041 0.000 1.056) 1.056 21.875 ( -2.202 -0.000 0.396) 2.237 22.343 ( 0.454 0.000 -3.221) 3.253 23.234 ( -1.973 -0.000 1.032) 2.227 23.492 ( 0.740 0.000 -2.342) 2.456 26.956 ( -0.012 -0.000 0.270) 0.270 26.964 ( 0.098 0.000 0.170) 0.197 29.450 ( 1.072 0.000 0.752) 1.310 29.653 ( -2.236 -0.000 -4.598) 5.113 30.259 ( 4.547 0.000 4.186) 6.180 30.661 ( 0.060 0.000 3.259) 3.260 30.679 ( 2.163 0.000 2.666) 3.434 31.279 ( 3.575 0.000 2.693) 4.476 31.380 ( -0.435 -0.000 2.431) 2.470 31.990 ( 0.043 0.000 -1.748) 1.749 32.187 ( -1.493 -0.000 -1.994) 2.491 32.405 ( -1.146 -0.000 -4.310) 4.459 32.715 ( 0.093 0.000 -4.199) 4.200 33.429 ( -1.534 -0.000 5.794) 5.994 33.898 ( 7.843 0.000 -8.020) 11.217 34.236 ( 25.642 0.000 -42.747) 49.848 35.302 ( -0.668 -0.000 1.511) 1.653 35.524 ( 0.827 0.000 -0.871) 1.201 35.590 ( -3.678 -0.000 5.670) 6.758 35.920 ( 2.337 0.000 -3.652) 4.336 36.233 ( -2.750 -0.000 13.017) 13.304 36.260 ( 2.770 0.000 3.995) 4.862 36.502 ( -21.939 -0.000 26.965) 34.762 38.908 ( -4.453 -0.000 -6.924) 8.233 ======================= Grid point 106 (49/114) ======================= q-point: (-0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -16.750 -3.856 -4.626) 17.800 1.806 ( -17.102 -9.396 -2.466) 19.668 2.099 ( 4.834 -6.972 -11.701) 14.453 2.559 ( -0.749 -2.832 -10.346) 10.752 2.776 ( 4.796 -0.864 -6.522) 8.141 2.832 ( -10.218 -4.070 -10.846) 15.447 2.960 ( 3.684 6.843 -1.416) 7.900 3.122 ( -1.487 -0.987 -7.299) 7.514 3.352 ( 8.736 0.956 6.173) 10.740 3.462 ( -2.026 -6.092 7.248) 9.682 3.572 ( 5.620 4.223 3.720) 7.954 3.622 ( 8.907 0.522 -2.624) 9.300 3.750 ( 3.580 -2.190 -5.182) 6.669 3.832 ( -2.686 -5.679 -0.109) 6.283 4.143 ( -6.745 1.447 2.574) 7.363 4.187 ( 5.051 0.801 7.041) 8.702 4.337 ( 0.885 -2.670 17.744) 17.966 4.778 ( -0.935 1.905 1.277) 2.477 4.861 ( -3.713 1.977 2.369) 4.828 4.962 ( 1.997 -1.604 4.099) 4.833 5.040 ( 3.547 -0.726 -1.695) 3.998 5.369 ( -3.297 -1.990 -3.185) 4.997 5.469 ( -5.623 1.415 -9.591) 11.208 5.607 ( -3.327 -7.505 -7.824) 11.341 5.772 ( 3.790 1.152 0.744) 4.031 5.783 ( 1.400 -1.507 -3.100) 3.721 6.095 ( 1.105 0.643 1.578) 2.031 6.291 ( 2.787 6.380 2.510) 7.401 6.388 ( -2.895 -0.402 -5.311) 6.063 6.497 ( -0.743 6.118 0.683) 6.200 7.833 ( -3.915 -0.574 -0.303) 3.968 7.978 ( -1.612 2.251 -2.954) 4.049 8.322 ( 7.618 4.755 5.949) 10.772 8.460 ( -5.838 -0.528 0.608) 5.894 8.842 ( 2.342 1.342 2.461) 3.652 9.039 ( 8.677 -4.904 4.763) 11.046 9.165 ( -0.456 4.591 1.290) 4.790 9.378 ( -3.456 -0.265 -1.628) 3.830 9.463 ( 1.263 1.281 -5.815) 6.087 9.511 ( -3.738 -2.549 -7.202) 8.505 9.746 ( -0.906 -2.677 -2.322) 3.658 9.950 ( -2.633 -0.334 -0.245) 2.665 10.238 ( -1.581 4.074 -0.280) 4.379 10.356 ( -8.955 1.662 -1.858) 9.295 10.504 ( 5.755 7.158 0.642) 9.207 10.937 ( -2.177 2.846 -2.790) 4.541 10.967 ( -4.266 0.557 -0.490) 4.330 11.222 ( 3.078 -2.824 2.045) 4.651 11.403 ( -1.128 -4.935 -3.023) 5.896 11.594 ( -0.216 1.895 -3.344) 3.850 11.794 ( -5.147 2.466 -3.637) 6.768 12.029 ( -1.530 -2.938 8.539) 9.159 12.221 ( -2.911 13.004 -15.306) 20.294 12.341 ( 8.941 -0.060 5.862) 10.691 12.417 ( 2.586 3.143 1.369) 4.295 12.641 ( 2.310 2.847 3.151) 4.835 12.834 ( 1.924 8.764 0.234) 8.976 12.916 ( 4.230 3.545 0.563) 5.548 13.352 ( 0.946 -2.245 3.252) 4.064 13.389 ( -2.017 -0.015 1.962) 2.814 13.609 ( -2.709 -3.495 -2.831) 5.250 13.696 ( -4.125 -4.101 -4.488) 7.347 14.437 ( 11.790 2.235 7.879) 14.356 14.618 ( 3.394 -7.683 -1.794) 8.589 14.768 ( 1.641 -9.356 2.843) 9.915 14.939 ( -1.072 -10.663 2.630) 11.035 15.099 ( 5.768 -7.076 0.632) 9.151 15.286 ( 0.885 -4.997 0.794) 5.136 16.016 ( -4.202 -8.278 -0.454) 9.294 16.308 ( -3.319 8.287 -5.896) 10.699 16.482 ( 4.438 5.670 0.165) 7.202 16.560 ( 2.039 1.534 1.430) 2.925 16.973 ( 2.064 -4.064 1.547) 4.814 17.056 ( 0.569 -3.895 0.303) 3.948 17.263 ( 0.758 -6.973 0.656) 7.045 17.487 ( -4.284 -0.485 -2.165) 4.825 20.016 ( 4.462 -4.401 1.198) 6.381 20.069 ( -5.093 1.032 -0.010) 5.197 20.850 ( -1.924 9.768 1.835) 10.123 21.010 ( 0.507 4.081 -0.349) 4.127 21.937 ( -1.942 -8.260 0.601) 8.507 22.399 ( 0.617 -7.599 -3.629) 8.444 23.140 ( -2.698 8.294 1.216) 8.806 23.455 ( 1.074 3.477 -2.540) 4.438 27.067 ( -1.139 -12.109 0.643) 12.180 27.120 ( 2.932 -15.657 1.241) 15.977 29.281 ( 1.391 16.979 1.661) 17.117 29.535 ( -4.331 7.779 -6.465) 11.003 30.494 ( 6.002 -14.157 8.027) 17.346 30.700 ( 1.093 -1.783 3.195) 3.819 30.751 ( 3.863 -3.568 3.180) 6.145 31.353 ( 4.177 -2.394 4.171) 6.370 31.415 ( -0.788 -2.775 2.071) 3.551 31.878 ( -0.878 8.883 -2.947) 9.400 32.049 ( -1.230 10.468 -2.979) 10.953 32.451 ( -1.914 -8.140 -6.839) 10.802 32.811 ( -0.428 -10.975 -3.184) 11.435 33.432 ( -0.064 2.515 5.310) 5.876 33.873 ( 7.927 4.726 -7.094) 11.640 34.002 ( 15.799 16.118 -42.927) 48.499 35.329 ( -0.514 -2.237 1.723) 2.870 35.492 ( -1.207 2.105 1.028) 2.635 35.596 ( -3.178 -0.778 4.042) 5.200 35.978 ( 4.113 -3.692 -3.889) 6.758 36.258 ( -0.556 1.086 6.406) 6.521 36.341 ( -2.889 -1.884 5.671) 6.637 36.591 ( -11.007 -8.329 33.260) 36.011 38.729 ( -5.582 9.489 -10.468) 15.191 ======================= Grid point 107 (50/114) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -14.001 -18.684 5.382) 23.960 1.867 ( -12.127 -12.215 1.659) 17.292 2.249 ( 5.709 -11.647 -7.760) 15.115 2.486 ( -13.020 1.588 -11.492) 17.439 2.750 ( -4.692 3.641 3.385) 6.836 2.889 ( 1.036 -10.645 -7.899) 13.295 2.950 ( 3.147 -3.112 -4.756) 6.497 3.071 ( 0.690 -8.271 -11.859) 14.475 3.371 ( 6.208 1.815 -2.284) 6.859 3.477 ( -1.290 3.050 -1.653) 3.701 3.575 ( 1.030 0.528 -4.050) 4.212 3.647 ( 3.264 3.478 -0.403) 4.787 3.749 ( 3.595 2.298 -6.263) 7.578 3.933 ( 1.566 -0.820 6.361) 6.602 4.049 ( -4.809 2.328 1.770) 5.628 4.277 ( 7.930 -1.789 0.001) 8.129 4.460 ( -0.514 1.977 19.532) 19.639 4.756 ( -3.514 -1.608 3.803) 5.422 4.832 ( -0.446 1.358 0.995) 1.742 5.025 ( 2.115 0.218 0.450) 2.173 5.122 ( 6.285 -2.502 3.619) 7.671 5.336 ( -4.124 1.267 -6.117) 7.486 5.427 ( 0.850 -4.720 0.174) 4.799 5.655 ( 1.754 1.343 -0.414) 2.248 5.731 ( -2.066 -3.463 -5.765) 7.035 5.826 ( -1.884 -0.674 -2.450) 3.163 6.112 ( -2.021 -1.037 0.735) 2.388 6.218 ( 3.271 5.696 3.376) 7.386 6.329 ( 2.164 4.945 1.703) 5.660 6.401 ( -0.282 0.632 -4.157) 4.215 7.830 ( -2.408 -1.316 0.413) 2.775 7.940 ( 4.025 2.123 1.021) 4.664 8.322 ( 5.873 4.828 4.843) 9.014 8.379 ( -10.195 0.819 -2.354) 10.495 8.871 ( 0.240 -1.723 1.985) 2.639 9.125 ( -0.036 -1.370 -0.108) 1.375 9.152 ( 4.255 2.872 3.782) 6.376 9.351 ( -0.167 -0.441 -1.200) 1.290 9.415 ( -0.637 1.572 -3.267) 3.681 9.500 ( -2.831 -2.674 -8.447) 9.301 9.805 ( 0.697 -5.304 -1.794) 5.642 9.926 ( -0.629 3.258 4.319) 5.446 10.124 ( -2.233 7.596 -5.942) 9.899 10.183 ( -1.989 4.087 -0.503) 4.573 10.467 ( 0.287 3.363 2.759) 4.359 10.772 ( -1.729 7.041 -5.708) 9.227 10.992 ( -1.690 -0.991 5.009) 5.379 11.307 ( 0.202 -3.790 2.382) 4.481 11.457 ( -7.295 -0.471 0.829) 7.357 11.578 ( 6.670 -3.241 -3.879) 8.370 11.680 ( -3.614 4.101 -2.581) 6.045 11.841 ( -6.735 9.638 -14.368) 18.566 12.154 ( -0.868 -7.636 3.335) 8.377 12.395 ( 9.611 5.610 2.380) 11.380 12.414 ( -0.372 1.089 3.231) 3.430 12.563 ( -0.892 4.520 0.529) 4.638 12.722 ( 4.950 6.838 1.921) 8.657 12.879 ( -0.581 3.463 -1.551) 3.839 13.371 ( -4.515 -0.130 2.917) 5.377 13.490 ( 5.836 -2.904 2.633) 7.030 13.649 ( 2.118 -5.547 -0.250) 5.943 13.701 ( -3.541 -3.517 -5.507) 7.432 14.556 ( 6.313 -3.005 4.921) 8.550 14.595 ( -6.306 5.070 -5.540) 9.807 14.927 ( 0.918 -7.658 4.403) 8.881 15.150 ( 1.826 -6.517 1.912) 7.033 15.302 ( 4.475 -9.286 0.670) 10.330 15.503 ( 6.763 -10.153 3.222) 12.618 16.012 ( -7.075 4.966 -2.193) 8.917 16.220 ( -5.584 -8.232 -4.686) 10.996 16.398 ( 3.445 6.544 0.781) 7.436 16.634 ( 11.684 -1.722 3.316) 12.266 17.065 ( -1.257 -3.774 1.026) 4.108 17.137 ( 3.290 -3.848 0.475) 5.085 17.394 ( 0.797 -5.181 -0.094) 5.243 17.464 ( -3.196 -1.332 -0.443) 3.491 20.030 ( -4.885 -1.752 0.254) 5.195 20.160 ( 4.407 -7.149 -0.701) 8.428 20.648 ( -2.195 11.772 2.316) 12.197 20.884 ( 1.071 9.298 -1.851) 9.541 22.124 ( -2.059 -13.166 0.605) 13.339 22.562 ( 1.414 -11.469 -3.447) 12.059 22.966 ( -2.544 9.016 3.070) 9.859 23.356 ( 1.542 7.085 -2.490) 7.666 27.344 ( -2.975 -19.382 0.711) 19.622 27.551 ( 10.871 -23.371 4.308) 26.133 28.956 ( 1.928 21.632 2.828) 21.901 29.240 ( -6.493 15.528 -8.284) 18.759 30.775 ( 1.767 -3.809 3.008) 5.165 30.836 ( 3.028 -12.614 8.532) 15.526 30.899 ( 4.639 -7.337 2.401) 9.006 31.429 ( -3.177 -2.326 2.488) 4.658 31.495 ( 3.789 -1.544 3.774) 5.567 31.700 ( 0.782 6.143 -3.597) 7.162 31.821 ( 0.481 11.166 -3.784) 11.800 32.526 ( -1.539 -6.490 -13.198) 14.788 33.002 ( -1.280 -11.855 -2.305) 12.144 33.386 ( 0.998 6.694 -0.470) 6.784 33.536 ( -0.594 13.698 -24.959) 28.477 33.790 ( 6.106 7.364 -4.015) 10.375 35.375 ( -1.299 -1.942 2.154) 3.178 35.476 ( -1.696 -0.815 1.837) 2.630 35.614 ( -2.923 -1.377 3.441) 4.720 36.025 ( 2.944 -0.395 -2.145) 3.664 36.266 ( 0.022 1.191 4.825) 4.970 36.343 ( -7.709 0.973 10.662) 13.193 36.946 ( 3.908 -14.943 19.052) 24.527 38.403 ( -4.206 14.637 -12.376) 19.624 ======================= Grid point 108 (51/114) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -15.510 -15.652 -0.845) 22.051 2.180 ( 2.321 -15.314 10.314) 18.608 2.253 ( -16.439 2.155 -10.588) 19.672 2.470 ( 5.078 -6.794 -2.740) 8.914 2.706 ( -0.596 1.059 5.740) 5.867 2.892 ( -5.172 -4.475 -0.393) 6.850 3.101 ( 0.760 -9.664 -10.006) 13.931 3.215 ( 5.333 3.529 -0.478) 6.413 3.369 ( 3.143 5.129 3.448) 6.934 3.427 ( 2.576 -8.886 -14.002) 16.782 3.576 ( 1.331 -1.483 -8.322) 8.558 3.598 ( 0.257 -6.789 -7.032) 9.778 3.685 ( 2.316 2.055 -5.435) 6.255 3.861 ( -0.907 7.742 10.189) 12.828 4.077 ( -0.678 -1.433 0.620) 1.702 4.356 ( 7.498 -0.264 -0.075) 7.503 4.483 ( -1.710 4.737 17.194) 17.917 4.776 ( 0.239 3.757 -3.519) 5.153 4.808 ( -3.142 -2.676 2.328) 4.738 4.967 ( -0.091 3.372 -6.422) 7.254 5.197 ( 3.325 -0.725 0.904) 3.521 5.309 ( 2.816 0.511 -1.881) 3.424 5.515 ( 4.337 2.511 6.401) 8.130 5.625 ( -0.816 2.568 4.065) 4.877 5.705 ( -5.872 0.497 -5.022) 7.742 5.834 ( 1.108 -4.513 -2.410) 5.235 6.059 ( -11.920 0.918 1.236) 12.019 6.178 ( 4.481 2.623 3.695) 6.373 6.354 ( 9.204 1.194 3.029) 9.763 6.415 ( 0.402 -3.841 -2.824) 4.784 7.833 ( -1.277 -0.327 0.089) 1.321 7.979 ( 5.758 -0.457 1.865) 6.070 8.184 ( -12.549 3.879 -3.565) 13.610 8.376 ( 5.142 1.269 3.208) 6.192 8.931 ( -0.358 -3.405 2.094) 4.013 9.091 ( -1.768 2.959 -1.768) 3.874 9.138 ( 0.179 2.669 1.070) 2.881 9.345 ( -0.826 0.964 -3.907) 4.108 9.429 ( 5.244 -3.128 -0.315) 6.114 9.464 ( -2.483 -1.666 -3.696) 4.754 9.788 ( -2.812 6.253 -1.080) 6.941 9.885 ( 4.025 6.106 8.197) 10.985 10.047 ( -3.774 -7.388 -4.062) 9.238 10.204 ( 3.950 -4.468 -1.968) 6.280 10.405 ( -0.346 4.514 2.630) 5.236 10.628 ( -2.654 4.443 -4.211) 6.673 11.006 ( -0.849 1.653 4.481) 4.851 11.344 ( -3.943 -1.001 0.513) 4.100 11.386 ( -4.724 3.485 3.831) 7.010 11.530 ( -1.727 3.416 -8.294) 9.134 11.651 ( 1.676 -1.437 0.598) 2.288 11.783 ( 1.709 -8.132 -6.121) 10.321 12.284 ( -0.745 -3.806 -2.308) 4.513 12.355 ( 3.440 3.273 2.696) 5.460 12.422 ( 0.563 -1.291 2.164) 2.582 12.535 ( -0.082 -1.162 1.941) 2.264 12.659 ( 5.803 6.956 1.936) 9.263 12.748 ( -1.525 7.894 -2.833) 8.524 13.339 ( -3.764 1.327 2.019) 4.472 13.571 ( 3.851 -1.306 2.014) 4.538 13.706 ( -3.567 -5.747 -5.129) 8.488 13.834 ( 5.590 -7.245 -0.086) 9.151 14.371 ( -10.440 7.626 -3.186) 13.316 14.669 ( 2.751 -1.829 1.910) 3.816 15.085 ( 0.201 -6.184 3.967) 7.350 15.263 ( 2.583 -5.612 0.420) 6.192 15.437 ( 2.992 -1.799 0.723) 3.565 15.590 ( 1.845 6.204 -0.833) 6.526 15.979 ( -1.802 -7.594 2.724) 8.267 16.263 ( -7.239 1.495 -0.227) 7.395 16.346 ( 0.279 -3.449 -4.698) 5.835 16.769 ( 13.708 1.168 2.253) 13.941 17.117 ( -1.884 -3.466 0.888) 4.044 17.223 ( 3.815 -1.661 -0.172) 4.164 17.418 ( -2.980 -0.046 -2.446) 3.856 17.487 ( 0.038 -0.690 3.283) 3.355 20.074 ( -3.309 -6.441 0.878) 7.295 20.273 ( 3.477 0.640 -4.550) 5.762 20.483 ( -0.739 2.939 3.761) 4.830 20.696 ( 1.216 10.859 -3.019) 11.336 22.353 ( -2.400 -13.365 0.960) 13.613 22.772 ( 2.197 -11.072 -3.918) 11.949 22.827 ( -1.098 6.962 5.668) 9.044 23.205 ( 1.553 9.513 -2.067) 9.858 27.696 ( -3.872 -22.415 0.205) 22.748 28.086 ( 15.199 -19.108 5.061) 24.935 28.588 ( 2.127 22.792 3.648) 23.180 28.824 ( -6.342 18.223 -8.561) 21.109 30.888 ( 0.914 -5.748 2.318) 6.265 31.032 ( -1.046 -2.303 6.531) 7.004 31.089 ( 3.114 -8.949 0.677) 9.500 31.404 ( -3.631 2.926 -0.350) 4.676 31.481 ( -1.947 1.188 1.301) 2.626 31.572 ( -0.997 8.830 -0.145) 8.887 31.795 ( 7.196 -4.746 -5.937) 10.467 32.486 ( 1.608 -1.345 -18.011) 18.133 33.101 ( -4.120 -0.624 -4.386) 6.050 33.241 ( -2.466 -4.102 -2.671) 5.481 33.403 ( -1.290 1.058 1.601) 2.312 33.673 ( 5.514 8.201 -2.655) 10.232 35.397 ( -2.240 -0.713 2.648) 3.541 35.502 ( -1.277 -1.680 1.459) 2.566 35.634 ( -3.160 -1.062 3.900) 5.131 36.023 ( 2.150 1.103 -2.269) 3.315 36.265 ( 0.337 2.235 4.506) 5.041 36.332 ( -8.005 -0.181 10.799) 13.443 37.327 ( 7.020 -12.941 7.255) 16.412 38.045 ( -1.740 13.644 -11.163) 17.714 ======================= Grid point 114 (52/114) ======================= q-point: (-0.38 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -24.641 -0.000 -15.873) 29.311 1.496 ( -25.308 -0.000 -4.603) 25.723 2.022 ( 10.405 0.000 -11.925) 15.827 2.473 ( -28.110 -0.000 -16.540) 32.615 2.538 ( 6.140 0.000 -19.642) 20.580 2.884 ( 0.251 0.000 1.923) 1.940 3.032 ( -5.187 -0.000 1.029) 5.288 3.042 ( 2.971 0.000 0.558) 3.023 3.460 ( 1.276 0.000 6.343) 6.470 3.466 ( 8.043 0.000 9.772) 12.656 3.674 ( -1.585 -0.000 -0.761) 1.758 3.693 ( 0.640 0.000 -3.428) 3.488 3.730 ( 6.197 0.000 2.596) 6.719 3.778 ( 12.032 0.000 1.143) 12.086 4.118 ( -5.102 -0.000 3.309) 6.081 4.264 ( 8.752 0.000 1.553) 8.888 4.450 ( 1.314 0.000 21.707) 21.747 4.802 ( -1.041 -0.000 1.097) 1.512 4.902 ( 1.565 0.000 3.818) 4.126 4.983 ( -1.351 -0.000 -0.229) 1.370 5.049 ( 6.515 0.000 6.584) 9.262 5.268 ( -5.946 -0.000 -6.555) 8.850 5.380 ( -6.727 -0.000 -12.718) 14.387 5.400 ( -2.898 -0.000 -12.018) 12.362 5.814 ( 4.621 0.000 -3.105) 5.567 5.836 ( 5.721 0.000 3.340) 6.624 6.111 ( -0.832 -0.000 0.609) 1.031 6.327 ( -2.681 -0.000 -5.756) 6.350 6.383 ( 2.499 0.000 3.329) 4.163 6.544 ( -1.351 -0.000 -1.181) 1.794 7.809 ( -0.798 -0.000 2.836) 2.946 7.965 ( -0.751 -0.000 -1.521) 1.696 8.410 ( -8.491 -0.000 -0.816) 8.530 8.440 ( 4.393 0.000 4.759) 6.477 8.910 ( 1.424 0.000 -0.368) 1.471 9.094 ( 13.433 0.000 3.705) 13.935 9.197 ( -2.039 -0.000 -2.467) 3.201 9.326 ( -5.111 -0.000 -2.634) 5.750 9.383 ( -5.246 -0.000 -7.212) 8.919 9.475 ( 3.679 0.000 -5.160) 6.337 9.672 ( -5.369 -0.000 -2.482) 5.915 9.949 ( 0.670 0.000 3.247) 3.316 10.269 ( -3.314 -0.000 -2.060) 3.902 10.303 ( -3.782 -0.000 3.795) 5.358 10.627 ( 2.519 0.000 0.443) 2.558 10.897 ( -2.815 -0.000 3.306) 4.342 10.975 ( 0.458 0.000 -6.655) 6.670 11.237 ( 5.526 0.000 2.055) 5.895 11.329 ( -1.771 -0.000 -2.554) 3.108 11.593 ( 0.545 0.000 -3.597) 3.638 11.771 ( -4.049 -0.000 -1.116) 4.200 11.993 ( -5.517 -0.000 -1.218) 5.649 12.282 ( -4.059 -0.000 -6.596) 7.745 12.443 ( 8.433 0.000 6.021) 10.362 12.489 ( 3.696 0.000 3.587) 5.151 12.693 ( -0.102 -0.000 -0.695) 0.702 12.942 ( -1.480 -0.000 -1.092) 1.839 12.967 ( 6.980 0.000 -4.249) 8.172 13.336 ( -0.975 -0.000 3.719) 3.845 13.415 ( -2.010 -0.000 -2.409) 3.138 13.514 ( 3.309 0.000 2.838) 4.359 13.636 ( -1.667 -0.000 -3.132) 3.548 14.560 ( 2.382 0.000 1.369) 2.748 14.573 ( 2.184 0.000 0.497) 2.240 14.714 ( 8.038 0.000 9.611) 12.529 14.916 ( 10.205 0.000 4.932) 11.334 15.011 ( 0.152 0.000 -1.829) 1.835 15.247 ( -0.057 -0.000 -3.010) 3.011 15.914 ( -3.679 -0.000 4.282) 5.645 16.342 ( -2.923 -0.000 -10.246) 10.655 16.567 ( 4.980 0.000 -0.319) 4.991 16.585 ( 1.533 0.000 -0.259) 1.555 16.945 ( 0.233 0.000 1.630) 1.647 17.023 ( 1.812 0.000 -0.325) 1.841 17.206 ( 0.819 0.000 2.575) 2.702 17.421 ( -5.759 -0.000 -4.354) 7.220 20.020 ( -8.315 -0.000 -1.209) 8.403 20.021 ( 4.164 0.000 2.118) 4.671 20.952 ( -2.060 -0.000 0.648) 2.159 21.034 ( -0.508 -0.000 2.112) 2.172 21.856 ( -1.131 -0.000 0.910) 1.452 22.307 ( 0.429 0.000 -4.041) 4.064 23.213 ( -1.703 -0.000 0.450) 1.762 23.480 ( 1.365 0.000 -2.369) 2.734 26.959 ( -0.127 -0.000 0.318) 0.342 26.967 ( -0.014 -0.000 0.201) 0.202 29.457 ( -0.287 -0.000 -0.541) 0.612 29.542 ( -4.298 -0.000 -4.779) 6.428 30.466 ( 6.606 0.000 14.316) 15.766 30.721 ( 3.040 0.000 3.053) 4.308 30.767 ( 4.330 0.000 2.785) 5.148 31.393 ( 5.504 0.000 4.604) 7.176 31.396 ( -0.429 -0.000 1.927) 1.974 31.953 ( -0.239 -0.000 -5.590) 5.595 32.107 ( -4.806 -0.000 -3.188) 5.768 32.314 ( -2.315 -0.000 -7.030) 7.401 32.673 ( 0.041 0.000 -3.148) 3.148 33.486 ( 0.846 0.000 4.690) 4.765 33.933 ( 6.504 0.000 -5.886) 8.772 34.022 ( 22.970 0.000 -64.341) 68.319 35.312 ( -0.557 -0.000 1.568) 1.664 35.519 ( 0.320 0.000 -1.668) 1.699 35.585 ( -2.426 -0.000 2.201) 3.276 35.938 ( 4.480 0.000 -2.399) 5.082 36.274 ( -5.240 -0.000 4.801) 7.107 36.362 ( 3.019 0.000 5.471) 6.249 36.667 ( -15.240 -0.000 56.219) 58.248 38.697 ( -7.097 -0.000 -12.936) 14.755 ======================= Grid point 115 (53/114) ======================= q-point: (-0.25 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -21.855 -17.660 -1.047) 28.118 1.405 ( -23.489 -19.052 -8.124) 31.317 2.112 ( 1.080 -7.728 -11.493) 13.892 2.162 ( -22.924 -3.787 -14.447) 27.360 2.572 ( 2.023 -11.465 -15.384) 19.293 2.810 ( -0.785 4.691 2.614) 5.427 2.908 ( -13.728 3.752 0.537) 14.242 3.067 ( 4.646 4.639 -3.766) 7.569 3.461 ( 4.454 3.061 -0.031) 5.405 3.530 ( 1.090 4.116 3.760) 5.680 3.627 ( -0.455 2.060 -0.486) 2.165 3.690 ( -0.233 1.665 -4.967) 5.244 3.853 ( 3.250 -7.970 5.421) 10.172 3.877 ( 15.701 3.177 1.093) 16.057 4.099 ( -2.653 1.394 3.085) 4.301 4.350 ( 9.187 0.094 3.174) 9.720 4.570 ( -1.897 -1.220 17.160) 17.308 4.773 ( -0.214 3.734 4.466) 5.825 4.891 ( 3.502 0.373 1.213) 3.725 5.043 ( 2.145 -2.025 1.822) 3.468 5.174 ( 4.853 -1.229 5.794) 7.657 5.257 ( 0.323 -7.717 1.563) 7.880 5.290 ( -1.748 0.939 -9.385) 9.593 5.419 ( -2.828 -11.468 -11.567) 16.532 5.797 ( 3.768 4.103 -1.415) 5.748 5.843 ( 0.682 2.372 -2.881) 3.794 6.092 ( -4.374 0.520 0.174) 4.408 6.302 ( 0.887 -1.568 -4.464) 4.814 6.384 ( 2.673 4.209 4.208) 6.525 6.483 ( 0.630 4.413 -0.659) 4.506 7.823 ( 1.343 1.538 4.008) 4.498 7.977 ( 0.855 -0.817 1.340) 1.788 8.307 ( -10.333 2.439 -2.325) 10.869 8.465 ( 2.714 2.181 3.268) 4.775 8.892 ( 2.252 1.784 1.717) 3.347 9.106 ( -3.685 0.538 -3.984) 5.453 9.210 ( 0.116 -0.332 -2.309) 2.335 9.288 ( -2.321 -3.309 -9.773) 10.576 9.364 ( 3.141 0.068 2.238) 3.857 9.478 ( 2.555 0.395 -1.458) 2.968 9.664 ( -3.520 -5.276 -3.516) 7.251 10.001 ( 3.529 -0.946 6.309) 7.291 10.165 ( -4.765 5.962 -3.381) 8.348 10.286 ( -0.241 4.174 2.525) 4.885 10.566 ( -1.806 5.731 2.478) 6.500 10.868 ( 0.342 7.309 -6.977) 10.110 10.970 ( 2.352 -4.191 5.964) 7.659 11.279 ( 0.520 -0.089 0.943) 1.080 11.370 ( 0.535 -4.679 0.627) 4.752 11.569 ( 1.756 0.454 -3.811) 4.221 11.700 ( -3.622 3.037 -2.106) 5.175 11.882 ( -9.567 6.506 -15.454) 19.305 12.113 ( -3.771 4.884 6.977) 9.314 12.471 ( 0.291 3.379 2.418) 4.165 12.540 ( 2.655 1.883 1.130) 3.446 12.637 ( 1.333 2.992 -1.088) 3.452 12.869 ( 3.087 4.838 1.306) 5.885 12.950 ( 3.103 4.789 -4.132) 7.045 13.334 ( -4.598 -0.548 3.517) 5.815 13.483 ( 6.488 -5.052 2.994) 8.751 13.550 ( -0.060 -1.477 -2.012) 2.497 13.657 ( 1.551 -2.197 -1.203) 2.946 14.542 ( -0.585 1.090 -2.939) 3.189 14.605 ( -1.233 2.530 -3.637) 4.599 14.808 ( -3.684 -6.830 4.318) 8.881 15.040 ( 5.749 -8.342 4.802) 11.212 15.251 ( 8.357 -5.783 -0.008) 10.162 15.336 ( 6.748 -16.317 1.462) 17.718 15.967 ( -2.931 -2.750 5.662) 6.944 16.166 ( -3.003 6.837 -10.455) 12.848 16.550 ( 4.292 5.417 0.124) 6.912 16.664 ( 9.334 -5.702 0.442) 10.947 16.988 ( -1.318 -3.750 0.432) 3.999 17.095 ( 3.663 -4.669 -0.038) 5.934 17.291 ( 0.905 -6.209 1.682) 6.496 17.375 ( -5.269 -3.032 -3.893) 7.219 19.953 ( -8.144 -1.126 -1.197) 8.308 20.093 ( 3.580 -3.501 0.672) 5.052 20.837 ( -2.322 9.454 1.899) 9.919 21.014 ( 0.122 4.534 0.390) 4.552 21.925 ( -1.361 -7.684 1.875) 8.026 22.368 ( 0.994 -8.268 -3.886) 9.189 23.117 ( -2.052 7.901 1.907) 8.383 23.453 ( 2.272 3.388 -2.137) 4.605 27.055 ( -1.026 -10.970 0.305) 11.022 27.219 ( 8.216 -23.880 2.704) 25.398 29.308 ( -0.183 14.625 0.912) 14.654 29.396 ( -4.293 9.803 -4.535) 11.623 30.697 ( 2.594 -9.650 11.025) 14.880 30.777 ( 4.089 -1.740 5.122) 6.781 30.849 ( 4.186 -3.797 2.191) 6.061 31.386 ( -3.126 0.745 0.862) 3.327 31.514 ( 7.330 -4.049 4.595) 9.551 31.793 ( -2.143 8.479 -9.298) 12.764 31.992 ( -2.195 8.631 -1.836) 9.093 32.306 ( -2.530 -6.826 -13.545) 15.377 32.771 ( -0.849 -10.571 -2.030) 10.798 33.493 ( 1.813 3.358 1.369) 4.054 33.599 ( 5.039 15.415 -57.771) 60.004 33.920 ( 6.940 4.160 -4.960) 9.491 35.337 ( -0.903 -2.082 1.421) 2.677 35.481 ( -1.373 1.810 0.666) 2.367 35.587 ( -2.055 -0.955 1.847) 2.924 36.007 ( 4.397 -2.870 -3.008) 6.051 36.274 ( -3.359 -1.536 3.442) 5.049 36.400 ( -0.151 1.724 7.958) 8.144 36.952 ( -4.701 -4.149 52.308) 52.682 38.496 ( -5.277 7.915 -13.964) 16.896 ======================= Grid point 116 (54/114) ======================= q-point: (-0.12 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -21.679 -20.631 0.526) 29.931 1.728 ( -23.031 -21.710 -2.239) 31.729 2.039 ( -12.057 -19.133 -6.356) 23.491 2.313 ( 6.777 -9.977 -0.184) 12.062 2.692 ( -7.876 0.921 -0.718) 7.962 2.786 ( -5.889 -7.737 -5.298) 11.073 2.883 ( -5.126 -17.480 -8.535) 20.116 2.952 ( 1.452 3.077 -4.456) 5.606 3.431 ( 4.607 5.995 -1.137) 7.646 3.497 ( 4.435 1.830 -1.937) 5.173 3.563 ( 2.203 4.006 -4.328) 6.295 3.585 ( 0.831 3.934 -3.489) 5.323 3.823 ( 5.549 7.171 0.056) 9.067 4.036 ( 1.539 3.496 0.177) 3.824 4.062 ( 4.491 -0.614 3.786) 5.906 4.432 ( 5.106 0.735 7.278) 8.921 4.647 ( -1.855 1.283 14.108) 14.287 4.765 ( 2.314 0.815 3.432) 4.219 4.868 ( 2.762 5.572 -3.314) 7.046 5.055 ( 6.189 4.349 0.057) 7.565 5.253 ( 4.051 -0.024 1.738) 4.408 5.272 ( 3.131 -3.236 -2.690) 5.245 5.478 ( -1.104 -8.557 1.233) 8.716 5.559 ( -2.959 -12.463 -3.344) 13.239 5.719 ( 0.791 5.436 -0.155) 5.495 5.771 ( 0.869 2.443 -3.094) 4.036 6.005 ( -10.953 2.577 0.695) 11.274 6.320 ( 2.814 6.109 2.401) 7.142 6.336 ( 1.467 -3.244 -3.492) 4.987 6.471 ( 8.619 1.280 2.933) 9.194 7.833 ( 1.360 0.480 3.146) 3.461 7.971 ( -6.756 0.114 -2.403) 7.172 8.166 ( -4.123 4.151 -0.246) 5.856 8.459 ( 1.470 1.531 2.070) 2.965 8.901 ( -1.274 -0.480 1.231) 1.835 9.069 ( -2.891 -0.262 -3.203) 4.322 9.181 ( -1.834 0.041 1.144) 2.162 9.294 ( 0.156 -2.869 -6.265) 6.892 9.391 ( -0.641 -1.402 1.482) 2.139 9.485 ( 6.493 2.137 -0.940) 6.900 9.749 ( -1.319 -6.646 -3.540) 7.645 9.975 ( -4.084 6.345 -0.761) 7.584 10.086 ( 2.260 -1.421 3.862) 4.695 10.188 ( 1.345 7.595 2.218) 8.025 10.466 ( -4.239 3.779 0.541) 5.704 10.706 ( 1.237 7.063 -3.046) 7.790 11.069 ( 1.857 1.262 6.415) 6.797 11.279 ( -3.644 -1.303 0.016) 3.870 11.418 ( -2.441 0.144 4.679) 5.279 11.545 ( -3.326 5.986 -11.139) 13.076 11.602 ( -1.991 -2.899 -4.810) 5.959 11.682 ( 2.286 -1.422 0.548) 2.747 12.172 ( -0.399 -6.680 1.688) 6.901 12.395 ( -4.167 2.638 -0.141) 4.934 12.470 ( -0.877 3.754 -1.265) 4.057 12.617 ( 6.305 3.689 1.140) 7.393 12.824 ( -0.211 7.405 -3.888) 8.366 12.858 ( 6.605 4.035 3.523) 8.504 13.336 ( -4.668 -0.066 3.795) 6.017 13.535 ( -1.376 -2.800 -3.528) 4.709 13.610 ( 2.824 -1.821 1.375) 3.630 13.769 ( 6.685 -6.183 0.252) 9.110 14.357 ( -12.774 5.617 -8.689) 16.439 14.615 ( -0.661 -3.536 0.231) 3.605 14.955 ( -2.734 -8.432 1.249) 8.951 15.226 ( 5.408 -6.739 3.013) 9.151 15.421 ( 6.263 -5.002 2.091) 8.283 15.656 ( 7.686 -7.469 2.077) 10.917 15.901 ( -4.552 4.306 -2.907) 6.908 16.081 ( -6.123 -3.533 -0.568) 7.092 16.465 ( 3.684 7.785 0.312) 8.618 16.874 ( 15.014 -3.911 0.411) 15.520 17.057 ( 0.899 -3.687 1.645) 4.137 17.204 ( 3.852 -3.525 -0.228) 5.226 17.352 ( -3.686 -2.808 -2.629) 5.327 17.453 ( 1.046 -5.417 0.126) 5.518 19.942 ( -5.892 -4.564 -0.329) 7.460 20.202 ( 3.951 -6.072 -3.621) 8.099 20.640 ( -2.441 11.019 2.530) 11.566 20.882 ( 0.957 9.821 -1.329) 9.957 22.110 ( -1.823 -12.350 2.738) 12.780 22.546 ( 1.639 -12.139 -3.590) 12.764 22.992 ( 0.328 7.304 5.085) 8.906 23.363 ( 2.630 7.511 -1.951) 8.193 27.308 ( -2.165 -17.974 0.190) 18.105 27.865 ( 23.649 -26.523 5.622) 35.977 28.991 ( -1.873 19.823 0.776) 19.927 29.086 ( -2.723 18.441 -3.491) 18.965 30.817 ( 1.304 -3.635 -0.367) 3.879 30.959 ( 1.184 -6.968 3.902) 8.073 30.997 ( 0.787 -7.301 8.084) 10.921 31.316 ( -10.389 -1.424 -6.489) 12.331 31.581 ( 1.048 6.510 1.334) 6.728 31.684 ( 3.817 -2.094 -4.701) 6.407 31.784 ( -0.422 9.445 -2.983) 9.914 32.316 ( 1.041 -6.400 -21.125) 22.098 32.939 ( -3.179 -9.197 -5.703) 11.279 33.129 ( -8.153 1.548 -16.899) 18.826 33.470 ( 0.662 3.828 2.464) 4.600 33.844 ( 6.160 7.179 -3.587) 10.117 35.371 ( -1.998 -1.702 1.852) 3.212 35.472 ( -1.235 -1.092 1.415) 2.173 35.606 ( -2.238 -1.554 2.398) 3.630 36.033 ( 1.166 0.135 -2.417) 2.687 36.309 ( -1.040 -0.950 5.304) 5.488 36.383 ( -3.730 3.899 9.978) 11.343 37.263 ( 3.471 -6.108 25.401) 26.355 38.206 ( -1.758 12.510 -12.727) 17.932 ======================= Grid point 123 (55/114) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -26.868 -0.000 -10.945) 29.012 0.998 ( -30.953 -0.000 -3.202) 31.118 1.671 ( -46.035 -0.000 -14.495) 48.264 2.123 ( 11.180 0.000 -5.221) 12.339 2.393 ( -0.673 -0.000 -13.580) 13.597 2.828 ( -16.402 -0.000 0.175) 16.403 2.903 ( -2.122 -0.000 3.941) 4.475 3.148 ( 8.221 0.000 -1.686) 8.392 3.508 ( -1.070 -0.000 -2.365) 2.595 3.619 ( 0.015 0.000 -3.386) 3.386 3.658 ( -0.816 -0.000 4.572) 4.644 3.677 ( 4.443 0.000 4.470) 6.303 3.827 ( 3.873 0.000 1.995) 4.357 4.043 ( 17.428 0.000 -1.371) 17.482 4.107 ( -0.379 -0.000 1.446) 1.495 4.426 ( 5.336 0.000 3.943) 6.635 4.606 ( -4.811 -0.000 10.274) 11.345 4.809 ( 0.724 0.000 -0.291) 0.780 4.945 ( -0.772 -0.000 -7.441) 7.480 4.946 ( -2.800 -0.000 9.513) 9.916 5.168 ( 3.210 0.000 2.913) 4.335 5.238 ( 1.593 0.000 -12.590) 12.691 5.265 ( 3.268 0.000 -0.301) 3.282 5.378 ( 12.870 0.000 15.700) 20.300 5.837 ( -0.009 -0.000 -8.050) 8.050 5.850 ( 2.322 0.000 -2.431) 3.362 6.051 ( -7.465 -0.000 -0.469) 7.480 6.266 ( 1.419 0.000 -3.921) 4.170 6.472 ( 3.159 0.000 4.688) 5.653 6.515 ( 0.251 0.000 -1.138) 1.165 7.931 ( -7.497 -0.000 -1.157) 7.585 7.956 ( 8.902 0.000 12.060) 14.990 8.272 ( -3.089 -0.000 0.555) 3.138 8.494 ( -2.029 -0.000 1.791) 2.706 8.936 ( 1.857 0.000 0.399) 1.900 9.011 ( -7.825 -0.000 -10.216) 12.868 9.177 ( 2.917 0.000 -5.807) 6.499 9.203 ( -5.449 -0.000 -4.025) 6.774 9.441 ( 8.416 0.000 2.852) 8.886 9.467 ( -4.164 -0.000 0.120) 4.166 9.589 ( 3.208 0.000 -2.658) 4.166 9.994 ( -2.302 -0.000 -4.232) 4.818 10.255 ( 3.262 0.000 9.249) 9.807 10.340 ( 1.258 0.000 2.823) 3.090 10.598 ( -7.483 -0.000 2.527) 7.898 10.912 ( 3.833 0.000 -9.725) 10.454 10.998 ( 7.730 0.000 5.178) 9.304 11.292 ( -0.611 -0.000 -0.778) 0.989 11.361 ( 4.361 0.000 5.615) 7.110 11.567 ( 1.450 0.000 -3.526) 3.812 11.707 ( -4.588 -0.000 1.240) 4.753 11.756 ( -8.955 -0.000 -15.298) 17.727 12.201 ( -6.056 -0.000 1.806) 6.319 12.535 ( 0.098 0.000 -0.591) 0.599 12.593 ( -5.533 -0.000 -6.335) 8.411 12.621 ( 3.157 0.000 11.229) 11.665 12.936 ( 1.499 0.000 0.616) 1.620 13.009 ( 6.197 0.000 -6.934) 9.300 13.395 ( -0.672 -0.000 7.390) 7.420 13.429 ( 4.237 0.000 -0.970) 4.347 13.594 ( 4.779 0.000 0.189) 4.783 13.612 ( 2.095 0.000 -1.086) 2.360 14.592 ( 1.549 0.000 -1.393) 2.083 14.601 ( 1.380 0.000 0.115) 1.385 14.802 ( -1.021 -0.000 4.697) 4.807 14.952 ( -1.965 -0.000 -12.176) 12.333 15.111 ( 3.305 0.000 0.334) 3.322 15.194 ( 0.560 0.000 -5.691) 5.719 16.036 ( 6.187 0.000 13.555) 14.900 16.090 ( -6.472 -0.000 -25.119) 25.939 16.607 ( 1.284 0.000 -1.958) 2.341 16.629 ( 3.828 0.000 0.269) 3.837 16.958 ( -0.417 -0.000 1.231) 1.299 17.047 ( 3.533 0.000 -2.642) 4.412 17.264 ( 0.133 0.000 5.704) 5.705 17.269 ( -5.983 -0.000 -5.183) 7.916 19.862 ( -8.930 -0.000 -1.899) 9.130 20.099 ( 2.561 0.000 2.309) 3.448 20.925 ( -2.179 -0.000 0.548) 2.247 21.058 ( -0.328 -0.000 3.763) 3.778 21.867 ( -0.825 -0.000 4.586) 4.659 22.273 ( 1.026 0.000 -3.754) 3.892 23.198 ( -1.205 -0.000 1.065) 1.608 23.484 ( 2.157 0.000 -1.790) 2.804 26.959 ( -0.224 -0.000 0.225) 0.318 26.968 ( -0.067 -0.000 0.088) 0.111 29.442 ( -3.213 -0.000 -1.673) 3.622 29.443 ( -0.620 -0.000 -0.088) 0.626 30.683 ( 0.422 0.000 11.367) 11.375 30.827 ( 3.740 0.000 5.712) 6.827 30.853 ( 3.666 0.000 0.888) 3.772 31.428 ( 1.378 0.000 3.379) 3.649 31.536 ( 6.342 0.000 3.565) 7.275 31.777 ( -2.649 -0.000 -32.870) 32.977 31.983 ( -5.965 -0.000 -3.147) 6.744 32.182 ( -3.539 -0.000 -7.423) 8.224 32.649 ( -0.071 -0.000 -1.087) 1.089 33.390 ( 5.449 0.000 -88.202) 88.370 33.547 ( 1.425 0.000 2.662) 3.020 33.983 ( 6.647 0.000 -4.671) 8.124 35.318 ( -0.863 -0.000 1.511) 1.740 35.498 ( -0.101 -0.000 -2.066) 2.069 35.573 ( -1.701 -0.000 1.279) 2.129 35.996 ( 5.659 0.000 -1.817) 5.943 36.233 ( -4.274 -0.000 1.938) 4.693 36.457 ( 1.330 0.000 4.595) 4.783 37.322 ( -0.706 -0.000 86.405) 86.407 38.449 ( -3.834 -0.000 -14.012) 14.527 ======================= Grid point 124 (56/114) ======================= q-point: (-0.12 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -25.136 -18.331 -0.450) 31.114 1.078 ( -17.421 -35.390 2.808) 39.545 1.376 ( -39.072 -18.959 -3.798) 43.594 2.261 ( 7.468 -5.984 2.532) 9.899 2.411 ( -5.590 -12.877 -8.900) 16.622 2.679 ( -9.381 3.616 -3.071) 10.512 2.808 ( -3.397 7.431 2.736) 8.617 3.103 ( 3.839 9.575 -3.124) 10.779 3.474 ( -1.526 0.608 -0.097) 1.645 3.564 ( 2.266 2.502 -5.840) 6.745 3.622 ( 0.742 5.313 -0.392) 5.379 3.693 ( 7.256 1.607 0.999) 7.498 3.901 ( 1.629 -1.225 -2.111) 2.934 4.105 ( -0.332 0.625 1.946) 2.070 4.111 ( 10.645 3.007 -3.934) 11.740 4.516 ( 5.514 -1.918 7.138) 9.221 4.649 ( -4.080 -3.035 6.648) 8.370 4.879 ( 0.898 0.184 2.680) 2.832 4.900 ( 1.974 -2.410 -2.917) 4.268 5.038 ( -0.209 -5.211 1.099) 5.330 5.218 ( 4.265 -2.451 -2.436) 5.489 5.266 ( 1.933 -6.638 -3.767) 7.873 5.335 ( 5.707 0.378 6.760) 8.855 5.518 ( 7.718 3.638 10.617) 13.620 5.794 ( 1.924 1.608 -3.070) 3.964 5.809 ( 1.235 2.052 -3.425) 4.180 5.964 ( -10.514 1.948 -1.126) 10.752 6.275 ( 0.834 -1.863 -3.291) 3.872 6.453 ( 2.042 4.807 1.594) 5.461 6.547 ( 5.602 -0.609 2.119) 6.020 7.831 ( -12.009 0.404 -2.300) 12.234 8.001 ( 5.207 7.199 7.403) 11.565 8.251 ( 0.848 4.967 2.802) 5.765 8.466 ( -4.366 0.074 -0.032) 4.367 8.870 ( -5.648 1.394 -3.852) 6.977 9.018 ( 0.782 -4.121 1.796) 4.563 9.141 ( -2.703 -0.954 -2.998) 4.148 9.211 ( 1.650 -3.687 -3.636) 5.435 9.405 ( -3.078 2.264 2.313) 4.467 9.545 ( 6.383 -1.942 0.696) 6.708 9.651 ( 5.916 -2.909 -1.768) 6.826 9.936 ( -6.921 -1.191 -8.037) 10.673 10.173 ( -5.420 10.474 3.908) 12.424 10.344 ( 2.430 2.724 2.890) 4.656 10.503 ( -8.659 4.915 2.637) 10.300 10.845 ( 6.966 6.460 -2.928) 9.941 11.137 ( 7.437 -2.262 7.256) 10.634 11.274 ( -0.279 1.610 0.708) 1.781 11.426 ( 0.882 -0.384 5.196) 5.284 11.526 ( -9.810 2.313 -3.633) 10.714 11.565 ( 2.277 2.513 -7.356) 8.100 11.688 ( -3.167 0.463 0.355) 3.221 12.113 ( -3.047 0.801 2.131) 3.803 12.421 ( -5.509 5.523 -1.237) 7.898 12.507 ( -0.945 2.228 -2.047) 3.170 12.670 ( -0.406 1.090 0.263) 1.193 12.910 ( 0.345 4.693 -2.653) 5.402 12.989 ( 6.776 1.941 -2.117) 7.360 13.313 ( -5.076 0.517 5.007) 7.149 13.547 ( 2.556 3.734 -1.361) 4.726 13.584 ( 1.453 -3.510 0.882) 3.900 13.716 ( 6.943 -5.913 0.887) 9.163 14.333 ( -11.678 9.909 -11.254) 19.005 14.586 ( 0.020 0.599 -0.091) 0.606 14.789 ( -3.175 -8.044 2.245) 8.935 15.147 ( 3.925 -6.535 2.469) 8.013 15.291 ( 0.694 -10.306 -4.176) 11.141 15.487 ( 10.779 -20.419 0.783) 23.103 15.926 ( -1.209 -0.391 -16.385) 16.434 16.125 ( 3.271 4.586 6.745) 8.788 16.617 ( 3.583 4.947 0.386) 6.120 16.841 ( 18.120 -16.890 -7.603) 25.912 16.976 ( 1.683 -5.426 -1.568) 5.893 17.136 ( 3.671 -6.591 -3.655) 8.383 17.240 ( -4.714 -3.697 -2.782) 6.605 17.334 ( -0.804 -5.184 2.878) 5.984 19.819 ( -6.508 -3.170 -1.621) 7.418 20.132 ( 1.519 -1.725 -1.064) 2.533 20.821 ( -2.267 9.204 1.406) 9.583 21.026 ( 0.092 5.821 1.241) 5.952 21.953 ( -0.799 -6.154 7.808) 9.974 22.347 ( 1.564 -8.641 -3.306) 9.383 23.136 ( 0.184 5.216 4.260) 6.737 23.477 ( 3.601 3.131 -1.781) 5.093 27.045 ( -0.489 -10.006 0.143) 10.018 27.506 ( 29.379 -41.852 1.816) 51.166 29.278 ( -2.796 14.457 -0.363) 14.729 29.341 ( -0.765 11.164 -0.405) 11.198 30.766 ( -0.725 -1.580 -3.553) 3.955 30.896 ( -3.130 -3.058 8.064) 9.175 30.919 ( 1.704 -4.787 1.942) 5.440 31.154 ( -19.753 6.244 -28.699) 35.395 31.601 ( 2.937 -2.426 -12.051) 12.639 31.700 ( 6.782 -2.203 3.468) 7.930 31.939 ( -2.314 2.828 -3.002) 4.729 32.059 ( -2.695 -1.796 -19.655) 19.920 32.726 ( -2.437 -7.419 -5.281) 9.427 32.922 ( -10.676 -2.040 -33.425) 35.148 33.547 ( 0.935 2.393 1.669) 3.064 33.971 ( 5.897 3.977 -3.674) 8.006 35.336 ( -1.207 -1.593 1.514) 2.507 35.468 ( -0.883 1.022 0.346) 1.394 35.577 ( -1.897 -1.097 1.630) 2.731 36.029 ( 2.057 0.080 -2.514) 3.249 36.274 ( -0.375 -4.951 1.830) 5.292 36.464 ( -1.038 2.227 4.025) 4.715 37.602 ( 0.210 19.485 63.724) 66.637 38.305 ( 0.653 6.574 -11.472) 13.239 ======================= Grid point 132 (57/114) ======================= q-point: (-0.12 -0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( -19.625 -0.000 10.973) 22.484 0.567 ( -27.440 -0.000 14.038) 30.822 0.926 ( -43.173 -0.000 22.660) 48.758 2.209 ( -13.860 -0.000 2.978) 14.176 2.271 ( 9.386 0.000 2.784) 9.790 2.653 ( -0.098 -0.000 -5.054) 5.055 2.911 ( -1.538 -0.000 2.765) 3.164 3.244 ( 5.348 0.000 -0.693) 5.392 3.463 ( -1.582 -0.000 1.274) 2.031 3.582 ( 1.065 0.000 -3.794) 3.941 3.645 ( -1.440 -0.000 -9.565) 9.673 3.725 ( 3.794 0.000 -5.160) 6.405 3.874 ( 1.288 0.000 -2.663) 2.958 4.100 ( -2.141 -0.000 -1.781) 2.785 4.224 ( 10.359 0.000 -4.221) 11.186 4.495 ( -0.986 -0.000 -1.017) 1.417 4.579 ( -7.208 -0.000 5.748) 9.219 4.789 ( 0.624 0.000 2.769) 2.839 4.874 ( 0.725 0.000 -3.472) 3.547 5.089 ( 4.079 0.000 -4.726) 6.243 5.225 ( 3.966 0.000 -0.500) 3.997 5.361 ( 19.945 0.000 22.679) 30.202 5.424 ( 1.685 0.000 3.645) 4.016 5.690 ( 2.856 0.000 4.755) 5.547 5.786 ( -2.505 -0.000 -5.722) 6.246 5.808 ( 7.589 0.000 -0.492) 7.605 5.922 ( -5.594 -0.000 4.428) 7.135 6.249 ( 0.580 0.000 -2.074) 2.154 6.527 ( 0.851 0.000 0.841) 1.197 6.576 ( 4.278 0.000 2.488) 4.949 7.723 ( -11.667 -0.000 -1.838) 11.811 8.238 ( 6.022 0.000 2.512) 6.525 8.305 ( 1.035 0.000 0.490) 1.145 8.441 ( -7.898 -0.000 -9.949) 12.703 8.906 ( 6.448 0.000 17.135) 18.308 8.978 ( 1.294 0.000 2.698) 2.992 9.089 ( -1.953 -0.000 -4.206) 4.637 9.172 ( 2.508 0.000 -1.947) 3.175 9.414 ( -4.351 -0.000 5.276) 6.838 9.592 ( 9.371 0.000 1.735) 9.530 9.667 ( 6.907 0.000 -1.177) 7.006 9.826 ( -7.205 -0.000 -3.721) 8.110 10.273 ( -11.873 -0.000 -15.714) 19.695 10.352 ( -1.300 -0.000 -2.032) 2.412 10.510 ( -8.011 -0.000 5.231) 9.568 11.039 ( 16.537 0.000 7.536) 18.173 11.168 ( 7.109 0.000 1.929) 7.366 11.294 ( -1.121 -0.000 3.631) 3.800 11.444 ( -4.449 -0.000 -6.472) 7.853 11.544 ( 4.424 0.000 11.198) 12.040 11.621 ( 8.608 0.000 9.940) 13.149 11.655 ( -4.246 -0.000 0.965) 4.355 12.108 ( -3.943 -0.000 -2.472) 4.654 12.453 ( -2.179 -0.000 -3.653) 4.253 12.513 ( -0.078 -0.000 -1.730) 1.732 12.835 ( 2.759 0.000 7.675) 8.156 12.961 ( 0.503 0.000 -0.211) 0.546 12.985 ( 1.446 0.000 -14.308) 14.381 13.348 ( -14.059 -0.000 -5.235) 15.002 13.479 ( 2.703 0.000 -0.222) 2.712 13.658 ( 4.576 0.000 -1.846) 4.935 13.684 ( 5.072 0.000 3.208) 6.001 14.355 ( -23.764 -0.000 -31.615) 39.551 14.591 ( 1.230 0.000 -2.653) 2.924 14.630 ( 0.054 0.000 -2.862) 2.863 14.834 ( -1.523 -0.000 4.473) 4.725 15.088 ( -1.864 -0.000 -0.880) 2.062 15.187 ( 3.037 0.000 -1.131) 3.240 15.633 ( -13.451 -0.000 -12.527) 18.381 16.247 ( 0.790 0.000 5.386) 5.444 16.590 ( 0.316 0.000 0.731) 0.796 16.684 ( 2.749 0.000 -0.072) 2.750 16.971 ( 0.743 0.000 0.786) 1.081 17.073 ( 4.279 0.000 -3.674) 5.640 17.162 ( -2.396 -0.000 -0.630) 2.477 17.318 ( -2.638 -0.000 6.497) 7.012 19.729 ( -5.080 -0.000 -1.600) 5.326 20.145 ( -0.297 -0.000 0.896) 0.944 20.902 ( -1.470 -0.000 0.623) 1.596 21.113 ( 2.002 0.000 1.254) 2.362 22.009 ( 8.122 0.000 15.752) 17.723 22.259 ( 1.931 0.000 -2.538) 3.189 23.207 ( -0.889 -0.000 3.011) 3.140 23.498 ( 1.880 0.000 -1.646) 2.499 26.957 ( -0.231 -0.000 -0.008) 0.231 26.967 ( -0.056 -0.000 -0.069) 0.089 29.415 ( -1.573 -0.000 -1.165) 1.958 29.443 ( -0.452 -0.000 1.579) 1.643 30.570 ( -49.036 -0.000 -73.942) 88.724 30.748 ( -2.322 -0.000 3.942) 4.575 30.900 ( -1.906 -0.000 3.721) 4.181 30.905 ( -0.194 -0.000 -2.245) 2.254 31.500 ( -0.427 -0.000 5.384) 5.401 31.639 ( 3.775 0.000 -1.360) 4.013 31.884 ( -2.803 -0.000 -0.596) 2.866 32.080 ( -3.241 -0.000 -1.130) 3.433 32.588 ( -12.781 -0.000 -18.512) 22.495 32.649 ( 0.131 0.000 1.144) 1.152 33.580 ( 0.283 0.000 0.627) 0.688 34.030 ( 5.172 0.000 -3.266) 6.117 35.322 ( -0.929 -0.000 1.856) 2.075 35.479 ( 0.292 0.000 -1.446) 1.475 35.560 ( -2.070 -0.000 1.556) 2.590 36.052 ( 4.319 0.000 -2.613) 5.048 36.193 ( -2.336 -0.000 -0.023) 2.336 36.488 ( -1.661 -0.000 0.973) 1.925 38.311 ( 3.789 0.000 -9.058) 9.819 38.537 ( 33.207 0.000 51.579) 61.344 ======================= Grid point 133 (58/114) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 10.678 0.000 29.155) 31.049 1.313 ( 0.074 0.000 25.117) 25.117 2.058 ( 4.312 0.000 34.604) 34.871 2.104 ( -1.264 -0.000 -6.360) 6.484 2.625 ( -5.619 -0.000 -2.590) 6.188 2.807 ( 3.767 0.000 -11.125) 11.746 2.821 ( 6.480 0.000 4.733) 8.025 2.911 ( -1.196 -0.000 -2.457) 2.733 3.081 ( -1.168 -0.000 -14.849) 14.895 3.327 ( 3.858 0.000 -9.022) 9.813 3.654 ( 2.533 0.000 1.823) 3.121 3.660 ( -1.071 -0.000 -2.893) 3.085 3.901 ( 4.522 0.000 8.434) 9.570 4.098 ( -4.041 -0.000 -9.433) 10.262 4.220 ( -2.715 -0.000 12.140) 12.440 4.310 ( 2.869 0.000 -1.608) 3.289 4.668 ( 1.910 0.000 -7.844) 8.073 4.694 ( -11.145 -0.000 1.724) 11.278 4.929 ( 2.727 0.000 -4.073) 4.902 5.019 ( 1.082 0.000 -0.475) 1.182 5.218 ( 0.868 0.000 -0.173) 0.885 5.300 ( -9.017 -0.000 3.682) 9.740 5.413 ( 4.155 0.000 -5.582) 6.958 5.582 ( -2.134 -0.000 8.123) 8.399 5.948 ( 1.894 0.000 -3.018) 3.563 6.090 ( -1.230 -0.000 1.341) 1.820 6.153 ( 2.849 0.000 4.617) 5.426 6.262 ( 1.802 0.000 0.048) 1.803 6.585 ( 0.329 0.000 1.560) 1.595 6.607 ( -4.069 -0.000 0.328) 4.083 7.733 ( 5.291 0.000 3.784) 6.505 7.909 ( -11.249 -0.000 -5.432) 12.491 8.197 ( -0.171 -0.000 -1.061) 1.075 8.293 ( 2.572 0.000 -2.191) 3.379 9.096 ( -0.035 -0.000 3.340) 3.340 9.133 ( 2.972 0.000 4.084) 5.051 9.145 ( 6.724 0.000 2.444) 7.154 9.265 ( -2.234 -0.000 -0.103) 2.236 9.592 ( -1.720 -0.000 4.053) 4.403 9.650 ( 0.015 0.000 -1.999) 1.999 9.705 ( 6.756 0.000 -1.254) 6.871 9.784 ( -13.569 -0.000 -5.720) 14.725 10.051 ( 9.434 0.000 3.419) 10.034 10.195 ( -4.933 -0.000 -3.278) 5.923 10.609 ( -5.951 -0.000 6.163) 8.567 10.856 ( 1.929 0.000 -6.582) 6.859 11.210 ( 1.123 0.000 0.380) 1.186 11.296 ( -5.812 -0.000 -2.674) 6.397 11.399 ( -9.549 -0.000 1.151) 9.618 11.486 ( 6.574 0.000 -4.468) 7.949 11.670 ( 3.107 0.000 6.142) 6.883 11.886 ( -2.880 -0.000 -2.759) 3.989 12.412 ( 1.691 0.000 6.837) 7.043 12.494 ( 1.842 0.000 0.801) 2.008 12.564 ( 5.941 0.000 2.031) 6.278 12.637 ( 1.034 0.000 6.467) 6.549 12.786 ( 7.912 0.000 -7.950) 11.216 12.874 ( -1.423 -0.000 -3.449) 3.731 13.443 ( -4.572 -0.000 1.925) 4.961 13.477 ( 1.226 0.000 -2.441) 2.732 13.637 ( -2.728 -0.000 -1.173) 2.970 13.647 ( 1.648 0.000 0.288) 1.673 14.489 ( 0.688 0.000 -2.648) 2.736 14.539 ( -0.257 -0.000 -3.279) 3.289 14.950 ( -3.495 -0.000 3.447) 4.909 14.951 ( 12.443 0.000 1.898) 12.587 15.158 ( 2.698 0.000 3.204) 4.188 15.269 ( 2.755 0.000 -0.145) 2.759 15.699 ( 22.788 0.000 2.852) 22.965 15.938 ( -18.943 -0.000 -7.552) 20.393 16.731 ( 0.265 0.000 2.094) 2.111 16.760 ( 2.070 0.000 0.907) 2.260 16.969 ( -2.305 -0.000 0.611) 2.384 17.034 ( 1.904 0.000 -1.891) 2.683 17.279 ( 6.643 0.000 4.576) 8.067 17.388 ( -7.042 -0.000 1.227) 7.148 19.684 ( 3.364 0.000 0.993) 3.508 19.895 ( -5.661 -0.000 -8.155) 9.928 20.925 ( -0.425 -0.000 1.823) 1.872 21.031 ( -0.851 -0.000 -2.513) 2.653 22.169 ( -5.787 -0.000 1.584) 6.000 22.244 ( 4.583 0.000 -1.688) 4.884 23.273 ( -2.039 -0.000 3.708) 4.232 23.443 ( 1.910 0.000 -3.424) 3.921 26.955 ( -0.135 -0.000 0.036) 0.140 26.960 ( 0.004 0.000 -0.210) 0.210 29.418 ( 4.704 0.000 3.983) 6.164 29.505 ( -2.105 -0.000 1.100) 2.375 30.726 ( -4.912 -0.000 1.467) 5.126 30.826 ( -0.765 -0.000 -3.048) 3.143 30.883 ( -10.499 -0.000 2.277) 10.743 31.133 ( 36.995 0.000 -6.784) 37.612 31.536 ( -12.864 -0.000 2.408) 13.088 31.602 ( 24.091 0.000 -1.314) 24.127 31.994 ( 2.944 0.000 3.548) 4.610 32.060 ( -0.350 -0.000 0.267) 0.441 32.630 ( 5.435 0.000 5.732) 7.899 32.742 ( -0.083 -0.000 2.119) 2.120 33.584 ( -3.394 -0.000 3.298) 4.733 33.944 ( 5.386 0.000 -8.470) 10.037 35.389 ( -1.857 -0.000 2.795) 3.356 35.455 ( 2.024 0.000 -0.784) 2.171 35.643 ( -3.128 -0.000 6.145) 6.895 35.946 ( 2.006 0.000 -6.506) 6.809 36.154 ( -0.933 -0.000 0.872) 1.277 36.330 ( -3.871 -0.000 -5.672) 6.867 38.317 ( -40.274 -0.000 0.308) 40.275 38.341 ( 20.636 0.000 -1.236) 20.673 ======================= Grid point 134 (59/114) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 10.028 -4.324 19.038) 21.948 1.555 ( 2.777 -4.702 23.027) 23.666 2.059 ( 7.187 2.010 -11.063) 13.345 2.291 ( 8.765 2.968 -5.275) 10.652 2.510 ( 4.896 -2.172 16.644) 17.484 2.693 ( -8.171 -4.131 2.570) 9.510 2.855 ( 5.094 -5.372 0.443) 7.417 3.050 ( 6.039 -1.472 -2.941) 6.876 3.260 ( -3.383 -20.311 -8.456) 22.259 3.398 ( 2.256 -9.441 -10.193) 14.076 3.584 ( -3.433 3.917 -0.816) 5.272 3.720 ( 3.897 -3.573 -0.723) 5.336 3.894 ( -1.253 7.249 2.220) 7.684 3.956 ( -6.247 3.073 -4.524) 8.303 4.262 ( 2.573 1.176 8.093) 8.573 4.382 ( 1.457 -1.279 8.655) 8.870 4.537 ( -12.330 4.533 -4.740) 13.965 4.649 ( 0.625 -0.932 -6.235) 6.335 4.909 ( -0.518 3.379 0.461) 3.449 4.990 ( -0.854 -0.466 -2.898) 3.057 5.217 ( -2.316 1.296 -0.379) 2.681 5.250 ( -2.289 1.933 -4.948) 5.784 5.453 ( 3.802 -2.675 9.547) 10.619 5.672 ( -1.920 -6.591 -1.076) 6.949 5.879 ( 1.914 6.602 2.278) 7.241 6.026 ( 0.862 4.883 -2.313) 5.472 6.119 ( -3.498 5.790 5.043) 8.437 6.281 ( 1.771 0.625 -2.676) 3.269 6.549 ( -2.588 3.126 2.390) 4.710 6.588 ( -2.624 0.367 0.148) 2.654 7.820 ( 0.849 -0.608 0.617) 1.213 7.827 ( 1.892 -1.240 0.009) 2.263 8.174 ( 1.078 2.771 1.333) 3.259 8.282 ( 1.737 0.505 -4.584) 4.928 9.048 ( -3.979 5.719 2.741) 7.486 9.157 ( 1.976 3.882 0.371) 4.372 9.179 ( 1.568 3.247 -0.315) 3.620 9.239 ( 4.355 -2.600 -0.413) 5.089 9.587 ( -1.287 0.452 3.275) 3.547 9.637 ( -9.702 1.260 -4.501) 10.769 9.691 ( -1.233 -4.132 1.019) 4.430 9.818 ( 10.098 -3.035 1.103) 10.602 10.151 ( -7.531 -2.775 -3.358) 8.700 10.170 ( 8.373 -2.933 3.757) 9.634 10.571 ( -3.064 3.891 5.432) 7.350 10.806 ( 5.528 5.512 -3.438) 8.530 11.169 ( -8.094 3.099 0.673) 8.693 11.261 ( -4.103 -2.157 -0.068) 4.636 11.288 ( 2.705 6.175 1.039) 6.821 11.504 ( 6.661 1.559 -4.022) 7.936 11.782 ( 4.011 -4.490 6.293) 8.709 11.867 ( -2.873 -2.233 -2.599) 4.472 12.314 ( 0.024 10.289 6.676) 12.265 12.489 ( 3.587 6.712 -1.772) 7.814 12.529 ( -0.252 4.899 2.654) 5.577 12.617 ( -1.458 2.782 -3.753) 4.894 12.813 ( 2.865 0.670 -0.424) 2.973 12.868 ( -0.511 -2.360 -4.939) 5.498 13.352 ( -5.936 3.389 2.397) 7.243 13.504 ( 3.180 -0.053 -2.546) 4.074 13.672 ( 0.254 -5.465 3.068) 6.273 13.706 ( -2.995 -5.993 -0.396) 6.712 14.515 ( -1.705 0.327 -2.973) 3.443 14.534 ( 4.424 -0.257 -1.216) 4.595 14.941 ( 0.359 -4.728 6.355) 7.929 15.051 ( -4.347 -5.300 -3.806) 7.841 15.304 ( -3.075 -8.552 -0.525) 9.103 15.398 ( 2.194 -12.620 -2.128) 12.985 15.769 ( -11.062 -2.508 -3.164) 11.776 15.989 ( 16.733 -7.247 -3.424) 18.554 16.658 ( -1.131 6.937 2.100) 7.336 16.727 ( -1.021 3.760 -2.329) 4.539 16.976 ( -1.756 -1.964 1.148) 2.874 17.059 ( 0.959 -2.618 -2.510) 3.751 17.365 ( -3.005 -2.245 1.516) 4.046 17.394 ( 3.396 -3.462 2.949) 5.676 19.749 ( 5.625 -2.002 1.938) 6.277 19.842 ( -0.697 -2.839 -7.367) 7.926 20.860 ( -0.974 7.283 2.853) 7.883 20.970 ( 0.749 5.046 -2.537) 5.697 22.202 ( -6.432 -7.566 2.385) 10.213 22.343 ( 3.938 -7.685 -1.639) 8.790 23.214 ( -2.370 6.590 4.615) 8.387 23.403 ( 2.404 4.159 -3.966) 6.229 27.059 ( 0.068 -11.465 1.374) 11.547 27.150 ( -1.805 -19.373 -5.708) 20.277 29.331 ( -0.838 14.689 1.264) 14.767 29.371 ( 4.336 12.804 1.523) 13.603 30.755 ( -2.845 -5.097 2.718) 6.439 30.830 ( -1.483 -3.181 -2.615) 4.377 30.873 ( -13.470 -8.110 1.873) 15.834 31.251 ( 4.886 -2.701 -6.626) 8.665 31.479 ( -7.936 -1.743 -1.274) 8.225 31.807 ( 23.102 4.854 -3.306) 23.836 31.961 ( -2.195 6.235 1.498) 6.778 32.126 ( 23.611 -3.169 -3.560) 24.087 32.768 ( 9.066 -4.805 2.993) 10.688 32.822 ( 0.936 -7.283 -0.221) 7.346 33.560 ( -4.427 1.849 4.808) 6.793 33.903 ( 4.576 3.270 -8.990) 10.604 35.397 ( -2.085 -1.051 2.257) 3.247 35.468 ( 1.560 -0.239 -0.413) 1.631 35.678 ( -3.548 -2.381 7.283) 8.444 35.924 ( 1.161 -0.100 -3.987) 4.154 36.218 ( 0.120 -6.041 -1.059) 6.135 36.271 ( -2.376 -0.247 -4.421) 5.025 37.884 ( -38.517 12.641 8.990) 41.523 38.418 ( 19.313 8.923 0.033) 21.274 ======================= Grid point 135 (60/114) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 1.137 -6.755 9.242) 11.504 1.811 ( 7.884 -9.345 11.738) 16.949 2.070 ( 10.770 -4.495 -8.917) 14.687 2.244 ( 11.535 1.086 -9.560) 15.021 2.681 ( 2.165 -0.511 10.211) 10.450 2.826 ( -1.166 -3.917 1.089) 4.230 3.051 ( -1.289 -5.572 -3.355) 6.631 3.158 ( 4.055 -16.795 -1.303) 17.326 3.451 ( -4.279 -2.830 -1.751) 5.421 3.503 ( -3.552 -3.213 -5.237) 7.097 3.557 ( 6.000 -7.185 2.183) 9.612 3.678 ( -5.122 3.484 -7.171) 9.476 3.843 ( -0.537 1.569 -2.216) 2.767 3.858 ( 1.218 0.513 0.641) 1.468 4.261 ( -8.310 3.867 -1.667) 9.316 4.364 ( 4.828 2.187 6.289) 8.225 4.484 ( -0.428 0.009 10.918) 10.926 4.641 ( -0.243 -1.775 -6.653) 6.890 4.815 ( -8.879 0.643 -0.635) 8.925 5.030 ( 2.795 -2.025 -1.035) 3.603 5.149 ( -2.021 3.994 -3.374) 5.606 5.186 ( 1.330 0.469 0.787) 1.615 5.504 ( -2.768 4.588 3.071) 6.176 5.732 ( 3.577 -0.345 -2.567) 4.416 5.808 ( -1.246 2.929 2.324) 3.941 5.916 ( -5.127 6.078 1.128) 8.031 6.077 ( 6.057 -0.474 4.603) 7.622 6.211 ( 0.195 3.900 -5.442) 6.698 6.464 ( -6.377 4.095 2.801) 8.080 6.559 ( -1.281 1.348 0.205) 1.871 7.786 ( -2.296 -0.320 -1.780) 2.923 7.948 ( 10.510 -0.626 4.130) 11.310 8.131 ( -1.817 2.052 0.073) 2.741 8.256 ( -0.851 -0.972 -5.649) 5.795 8.942 ( -2.214 2.689 2.723) 4.421 9.022 ( -1.796 4.408 -2.940) 5.594 9.221 ( 4.102 0.655 3.738) 5.588 9.289 ( 5.281 0.909 -2.025) 5.729 9.523 ( -7.638 1.389 -2.144) 8.054 9.577 ( -1.299 2.174 2.231) 3.375 9.779 ( 4.085 -3.731 3.146) 6.364 9.897 ( 6.688 3.266 -3.173) 8.091 10.162 ( -8.524 -6.796 -2.151) 11.112 10.289 ( 3.121 -2.279 3.609) 5.287 10.482 ( -1.164 7.249 4.574) 8.650 10.713 ( 6.722 8.153 -2.494) 10.857 11.085 ( -4.717 1.061 2.881) 5.628 11.218 ( 1.594 2.153 2.403) 3.598 11.314 ( 2.273 -1.963 1.735) 3.468 11.498 ( 5.394 1.765 -4.171) 7.043 11.875 ( -4.102 -2.545 -2.465) 5.421 11.937 ( 6.366 -3.474 4.664) 8.623 12.201 ( -3.001 2.567 2.829) 4.858 12.340 ( -1.022 7.136 -4.272) 8.380 12.430 ( 0.662 6.053 0.703) 6.130 12.499 ( -1.930 6.024 -3.979) 7.473 12.813 ( -1.717 2.938 -0.783) 3.492 12.845 ( -1.288 -0.765 -0.243) 1.518 13.301 ( -2.913 0.136 2.531) 3.862 13.492 ( 3.336 1.456 -2.146) 4.225 13.771 ( -9.113 -6.960 -3.301) 11.933 13.855 ( 3.130 -7.793 6.029) 10.338 14.440 ( -3.923 1.689 -6.068) 7.420 14.512 ( 5.947 6.539 1.371) 8.944 15.074 ( -3.739 -8.057 2.509) 9.230 15.165 ( 0.917 -6.872 0.258) 6.937 15.417 ( -4.319 -9.094 1.501) 10.179 15.573 ( -5.277 -7.713 -5.368) 10.778 15.817 ( -1.401 -7.643 -0.195) 7.772 16.148 ( 10.876 -1.701 0.848) 11.041 16.543 ( -2.053 4.652 2.782) 5.796 16.628 ( -4.771 1.776 -6.966) 8.628 17.018 ( -1.299 -3.191 0.500) 3.481 17.123 ( 2.054 -5.002 -2.122) 5.809 17.379 ( -3.168 -1.462 0.397) 3.512 17.492 ( 3.499 -1.919 2.421) 4.668 19.851 ( 4.823 -3.728 1.604) 6.304 19.916 ( 3.754 -8.035 -6.173) 10.805 20.710 ( -2.076 9.786 3.393) 10.563 20.844 ( 2.064 8.139 -2.660) 8.808 22.344 ( -5.788 -11.405 2.753) 13.083 22.525 ( 2.758 -10.034 -2.042) 10.605 23.081 ( -3.224 8.640 5.293) 10.633 23.296 ( 3.378 7.573 -3.741) 9.097 27.369 ( 0.599 -20.287 5.121) 20.932 27.467 ( -3.735 -22.316 -8.815) 24.283 28.963 ( -5.206 20.946 -2.107) 21.686 29.171 ( 10.726 17.852 2.376) 20.962 30.830 ( -3.199 -4.869 1.233) 5.955 30.883 ( -2.686 -5.704 -1.326) 6.443 30.988 ( -13.345 -13.875 0.532) 19.259 31.317 ( 1.606 -4.126 -1.414) 4.647 31.450 ( -2.871 -0.612 -0.450) 2.969 31.748 ( 5.556 9.326 -1.091) 10.910 31.835 ( -2.204 5.949 -1.505) 6.520 32.345 ( 28.491 0.040 -9.711) 30.101 32.923 ( 4.541 -6.112 -0.844) 7.661 32.999 ( 5.840 -8.771 -0.169) 10.538 33.504 ( -5.701 3.573 5.839) 8.909 33.803 ( 3.174 5.711 -7.945) 10.287 35.417 ( -2.178 -1.692 1.661) 3.219 35.487 ( 1.017 -1.076 -0.227) 1.498 35.742 ( -4.472 -2.971 8.199) 9.801 35.926 ( 1.415 -0.505 -1.116) 1.871 36.235 ( -2.018 -1.041 0.036) 2.271 36.361 ( 1.718 -8.322 -4.090) 9.431 37.476 ( -28.729 9.068 10.994) 32.069 38.319 ( 15.929 16.244 -1.980) 22.837 ======================= Grid point 136 (61/114) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -0.750 -10.941 0.941) 11.007 2.082 ( 6.385 -10.195 1.826) 12.167 2.216 ( 3.929 -4.673 -9.600) 11.377 2.334 ( 11.284 -7.524 -0.355) 13.568 2.687 ( -5.661 5.274 -3.215) 8.379 2.777 ( 1.541 -0.452 5.613) 5.839 3.152 ( -4.609 -3.409 -4.174) 7.092 3.315 ( -0.625 0.467 -10.303) 10.332 3.404 ( 0.584 -4.685 4.841) 6.762 3.529 ( -4.021 -2.606 -3.411) 5.881 3.579 ( 1.094 4.540 4.292) 6.343 3.714 ( 0.666 2.441 -3.248) 4.118 3.809 ( 9.314 2.055 4.105) 10.384 3.865 ( 1.181 -3.107 -7.598) 8.293 4.106 ( -6.883 5.465 0.425) 8.799 4.449 ( 6.353 -0.149 8.958) 10.983 4.527 ( -1.414 0.373 6.258) 6.427 4.622 ( -2.472 -2.360 -7.333) 8.090 4.767 ( -4.849 -1.077 0.306) 4.977 5.004 ( 0.728 6.212 -0.006) 6.254 5.086 ( -2.334 -2.229 -3.840) 5.015 5.251 ( 2.988 -2.365 4.438) 5.850 5.395 ( -3.399 2.785 -0.402) 4.413 5.625 ( 1.147 6.400 0.930) 6.569 5.802 ( -2.341 1.813 0.197) 2.967 5.885 ( -3.004 -4.668 1.770) 5.827 6.068 ( 1.144 4.072 -1.021) 4.351 6.255 ( 8.468 -4.562 -1.586) 9.749 6.360 ( -6.926 3.552 4.804) 9.147 6.517 ( -0.362 2.107 -1.170) 2.437 7.776 ( -0.371 -0.893 -1.891) 2.124 7.968 ( -2.600 2.666 -1.912) 4.186 8.081 ( -3.611 0.112 -2.364) 4.317 8.318 ( 6.536 -4.815 1.941) 8.346 8.952 ( -0.906 1.075 -0.571) 1.517 8.974 ( 1.754 -2.796 3.589) 4.876 9.243 ( 2.466 2.369 4.610) 5.739 9.284 ( 4.853 2.171 -1.418) 5.503 9.459 ( -1.972 0.174 -1.086) 2.258 9.522 ( -0.853 4.032 1.704) 4.460 9.818 ( 1.400 2.953 -4.978) 5.955 9.909 ( 4.377 -3.730 2.979) 6.477 10.124 ( -9.711 2.061 -6.108) 11.656 10.340 ( -1.468 -0.224 2.100) 2.572 10.387 ( -0.756 3.790 4.217) 5.720 10.592 ( 6.367 8.679 -3.938) 11.461 11.069 ( -3.081 0.394 4.949) 5.843 11.264 ( 4.635 -2.045 2.641) 5.713 11.378 ( 1.900 -1.813 2.115) 3.372 11.476 ( 3.410 2.174 -2.743) 4.887 11.807 ( -4.893 4.032 -3.852) 7.419 11.992 ( 4.704 4.995 0.884) 6.918 12.212 ( -6.780 -4.726 -5.612) 9.990 12.298 ( 0.872 -4.617 2.870) 5.506 12.347 ( 1.307 5.475 1.189) 5.753 12.402 ( 0.770 -2.778 -0.847) 3.004 12.711 ( -1.533 4.469 0.149) 4.727 12.833 ( 1.093 4.764 1.159) 5.023 13.312 ( -1.476 -1.615 3.294) 3.954 13.523 ( 3.369 -2.938 -1.797) 4.818 13.769 ( -11.603 -4.827 -5.225) 13.610 13.924 ( -0.825 4.925 1.486) 5.210 14.368 ( -0.394 3.187 -4.803) 5.777 14.501 ( 3.934 -3.765 2.538) 6.007 15.189 ( -3.647 -6.541 0.337) 7.496 15.282 ( 0.541 -5.043 4.167) 6.564 15.456 ( -3.889 3.487 -4.150) 6.671 15.611 ( 1.164 -2.629 2.578) 3.861 15.932 ( -0.957 -6.089 0.358) 6.175 16.267 ( 4.915 -1.925 1.836) 5.589 16.468 ( -6.299 4.765 -4.114) 8.906 16.582 ( 2.610 -5.376 0.335) 5.985 17.064 ( -1.257 -3.180 -1.383) 3.688 17.228 ( 1.858 -5.028 -0.572) 5.390 17.369 ( -1.991 0.770 0.870) 2.305 17.543 ( 1.551 -0.639 1.384) 2.175 19.977 ( 2.876 -6.235 0.874) 6.922 20.090 ( 5.224 -9.925 -4.628) 12.133 20.530 ( -3.237 9.512 2.901) 10.458 20.696 ( 2.261 8.326 -2.699) 9.040 22.534 ( -4.280 -12.059 2.769) 13.092 22.690 ( 1.457 -6.253 -1.412) 6.574 22.936 ( -2.971 6.297 3.645) 7.859 23.149 ( 3.562 9.695 -2.809) 10.704 27.774 ( -3.461 -21.568 -5.055) 22.421 27.824 ( 0.026 -24.000 6.073) 24.757 28.520 ( -4.497 22.817 -2.040) 23.345 28.945 ( 12.941 18.017 -0.037) 22.182 30.915 ( -4.699 -7.392 1.381) 8.867 30.966 ( -4.059 -6.219 -0.047) 7.427 31.121 ( -6.241 -9.436 -1.993) 11.487 31.341 ( 0.377 1.082 -1.602) 1.970 31.463 ( 1.147 1.336 1.061) 2.056 31.646 ( 2.596 4.681 0.284) 5.361 31.681 ( -6.801 4.245 -1.931) 8.246 32.427 ( 22.644 5.954 -11.560) 26.112 33.051 ( 2.555 -5.263 -0.256) 5.857 33.201 ( 6.064 -8.960 -0.947) 10.861 33.410 ( -6.872 4.769 4.919) 9.704 33.668 ( 1.253 6.737 -5.409) 8.730 35.439 ( -2.045 -1.486 1.320) 2.852 35.513 ( 0.518 -1.023 -0.134) 1.154 35.790 ( -4.584 -0.917 7.812) 9.104 35.948 ( 1.492 -1.066 0.088) 1.835 36.271 ( -2.906 -3.375 4.463) 6.305 36.475 ( 0.443 -4.471 -1.531) 4.747 37.275 ( -15.835 -1.365 5.155) 16.709 38.095 ( 11.788 17.555 -4.755) 21.674 ======================= Grid point 137 (62/114) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -10.630 5.964 -7.321) 14.218 2.153 ( -1.810 9.345 3.501) 10.142 2.267 ( -2.785 -5.966 -8.715) 10.923 2.546 ( 5.892 -4.794 4.365) 8.761 2.706 ( -2.180 -13.126 0.981) 13.342 2.777 ( 1.323 3.809 -2.449) 4.718 3.088 ( -2.173 3.512 -1.762) 4.490 3.266 ( 1.106 2.167 -10.947) 11.214 3.380 ( -3.101 6.496 2.703) 7.689 3.522 ( -1.833 3.939 -1.283) 4.530 3.550 ( 6.790 6.018 -3.857) 9.859 3.605 ( 4.901 2.546 5.485) 7.784 3.805 ( 6.285 9.069 5.465) 12.313 3.902 ( 0.386 -3.687 -6.228) 7.248 4.017 ( 1.229 0.421 7.511) 7.622 4.473 ( -7.661 -0.596 -1.909) 7.918 4.541 ( -1.013 -1.964 1.293) 2.561 4.677 ( 2.185 -6.113 -1.126) 6.589 4.789 ( 3.122 -1.210 -0.075) 3.349 4.969 ( 3.514 0.178 8.100) 8.831 5.080 ( -0.464 -1.653 -5.698) 5.951 5.332 ( 5.976 -1.427 3.170) 6.913 5.361 ( -6.759 -3.543 -5.146) 9.205 5.587 ( -1.681 0.172 3.457) 3.847 5.768 ( -0.012 1.321 -0.743) 1.516 5.930 ( -3.252 -1.408 2.332) 4.242 6.023 ( -3.312 1.080 0.103) 3.485 6.292 ( -3.763 2.364 3.713) 5.791 6.349 ( 6.485 -0.130 -2.811) 7.069 6.501 ( 4.366 -0.560 -1.267) 4.580 7.785 ( -1.667 -1.505 -2.829) 3.612 7.887 ( -3.680 0.545 -0.971) 3.845 8.051 ( -4.709 -2.014 -2.622) 5.754 8.448 ( 5.954 -1.442 1.621) 6.337 8.954 ( 0.992 0.081 2.963) 3.126 9.038 ( 0.354 -0.378 1.148) 1.260 9.257 ( 2.258 -0.136 5.906) 6.324 9.280 ( 2.857 1.162 -0.182) 3.089 9.445 ( -2.383 2.002 -0.473) 3.148 9.478 ( -0.139 -1.901 -1.094) 2.198 9.799 ( 3.984 2.205 1.158) 4.698 9.936 ( -6.716 2.387 -7.837) 10.593 10.010 ( 1.681 -2.884 -0.087) 3.339 10.289 ( 1.990 5.690 3.184) 6.818 10.371 ( -5.540 -1.189 0.262) 5.673 10.502 ( 3.207 1.530 -3.446) 4.950 11.077 ( -4.342 -1.163 5.676) 7.241 11.330 ( 3.818 -0.211 -0.504) 3.857 11.425 ( -0.762 0.459 3.509) 3.620 11.461 ( 2.827 0.016 1.229) 3.083 11.662 ( -2.182 5.381 -4.978) 7.648 11.894 ( 0.602 6.005 -0.700) 6.076 12.221 ( 0.108 1.381 -1.521) 2.057 12.276 ( -4.190 -5.204 -2.371) 7.089 12.415 ( 2.600 -3.831 1.424) 4.844 12.598 ( 2.708 -9.529 1.198) 9.978 12.670 ( 2.424 0.571 1.142) 2.740 12.700 ( 0.802 8.363 0.493) 8.416 13.362 ( -0.480 -1.322 4.264) 4.490 13.587 ( 1.360 -2.795 -3.322) 4.549 13.733 ( -6.728 0.553 -2.461) 7.185 13.786 ( -1.172 3.632 -1.020) 3.951 14.262 ( -2.257 5.132 -1.159) 5.726 14.636 ( 0.706 -4.597 -0.298) 4.660 15.246 ( -1.863 7.469 0.559) 7.718 15.285 ( -2.428 -7.150 -2.660) 8.006 15.446 ( 3.742 -2.883 3.677) 5.986 15.648 ( 3.896 2.295 3.425) 5.672 16.032 ( -2.800 -4.826 -0.920) 5.654 16.250 ( -2.731 3.203 -2.453) 4.872 16.313 ( -3.894 5.618 2.226) 7.189 16.768 ( 9.738 -7.884 -2.051) 12.696 17.087 ( -0.845 -1.400 -2.770) 3.217 17.295 ( 1.716 -0.058 0.316) 1.746 17.341 ( -2.764 0.102 1.183) 3.008 17.557 ( -0.162 0.574 1.008) 1.171 20.109 ( 1.850 -5.537 -1.330) 5.988 20.193 ( 0.147 3.955 -0.920) 4.063 20.445 ( 0.416 -5.175 -0.462) 5.213 20.570 ( 0.989 4.812 -1.616) 5.171 22.644 ( -2.663 7.814 4.353) 9.333 22.729 ( -1.038 -6.624 2.182) 7.051 22.928 ( 2.017 0.046 -2.983) 3.602 23.015 ( 1.451 0.259 -1.072) 1.822 28.065 ( -3.253 18.121 -0.830) 18.430 28.098 ( -1.723 -14.525 -3.632) 15.071 28.286 ( -0.702 -22.070 7.395) 23.287 28.740 ( 12.876 14.108 -4.678) 19.665 30.989 ( -4.879 0.113 -0.017) 4.881 31.035 ( -2.921 -6.612 2.173) 7.548 31.176 ( 0.723 0.895 -3.286) 3.482 31.328 ( 1.513 0.520 -0.697) 1.745 31.409 ( -2.334 2.439 -2.212) 4.036 31.493 ( -3.225 0.261 -7.839) 8.481 31.712 ( -3.600 -1.597 11.572) 12.224 32.362 ( 16.080 10.261 -11.905) 22.485 33.107 ( -0.528 2.342 1.225) 2.695 33.305 ( -4.369 2.558 1.847) 5.390 33.385 ( 4.936 -5.322 -1.144) 7.348 33.555 ( 0.124 1.532 -2.502) 2.937 35.448 ( -1.892 -0.279 1.349) 2.340 35.522 ( 0.133 0.345 -0.135) 0.394 35.792 ( -3.845 1.626 7.223) 8.343 35.978 ( 0.081 -1.102 -0.071) 1.107 36.338 ( -4.468 -3.406 5.265) 7.700 36.508 ( -1.544 -0.211 2.705) 3.122 37.341 ( -3.135 -11.769 -0.605) 12.194 37.868 ( 7.353 11.676 -4.926) 14.651 ======================= Grid point 138 (63/114) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -11.404 13.380 1.979) 17.692 1.882 ( -12.436 16.085 9.702) 22.528 2.251 ( -5.191 -2.670 -9.086) 10.800 2.617 ( -3.434 2.636 -0.526) 4.361 2.681 ( -4.510 1.622 -7.381) 8.801 2.786 ( 6.510 12.718 2.888) 14.577 2.976 ( 0.513 10.660 11.048) 15.361 3.044 ( -0.362 17.340 -6.822) 18.637 3.247 ( 6.534 -2.718 -3.288) 7.803 3.475 ( -2.855 0.776 4.582) 5.454 3.570 ( 7.765 -2.809 2.852) 8.735 3.670 ( 2.959 -2.694 -1.834) 4.402 3.753 ( 5.266 5.721 6.023) 9.835 3.941 ( 1.516 -3.700 -3.588) 5.372 4.136 ( 3.372 -2.731 6.418) 7.747 4.422 ( -6.987 -4.733 -6.424) 10.606 4.614 ( 2.597 -4.695 -0.095) 5.366 4.772 ( -3.382 -2.645 -0.976) 4.403 4.804 ( 2.320 -2.605 -6.158) 7.077 5.071 ( 1.199 -3.842 -4.922) 6.358 5.183 ( 11.910 -5.700 10.928) 17.139 5.309 ( -6.485 0.206 -6.810) 9.406 5.433 ( 5.513 -1.474 4.598) 7.329 5.632 ( -1.857 -5.552 0.496) 5.876 5.705 ( -1.181 5.558 -1.866) 5.980 5.884 ( -9.345 2.112 2.009) 9.789 5.971 ( -1.802 2.491 3.582) 4.721 6.245 ( 1.152 1.460 -3.865) 4.289 6.379 ( 2.093 -0.936 2.234) 3.201 6.565 ( 7.646 -1.243 -1.884) 7.972 7.745 ( -6.289 -0.253 -2.273) 6.692 7.908 ( 3.096 -2.294 -0.010) 3.853 8.059 ( -3.819 -3.935 -1.036) 5.580 8.465 ( -0.728 1.911 -2.257) 3.046 8.967 ( 2.768 2.569 6.285) 7.332 9.034 ( -0.374 -0.348 -0.678) 0.849 9.266 ( -0.403 0.683 -1.490) 1.688 9.339 ( -1.924 -0.875 4.702) 5.156 9.398 ( -3.031 -0.210 2.055) 3.668 9.512 ( 2.826 -2.171 -1.012) 3.704 9.701 ( -1.347 3.591 -2.878) 4.795 9.926 ( 2.137 1.937 -2.680) 3.938 10.056 ( 0.428 -3.119 -2.086) 3.777 10.291 ( 5.534 -0.905 7.076) 9.029 10.349 ( -7.043 -2.208 1.730) 7.581 10.553 ( 0.931 -6.427 -2.937) 7.127 11.108 ( -4.912 -3.140 4.683) 7.478 11.342 ( -0.259 -0.104 -0.640) 0.698 11.390 ( 0.130 2.606 1.311) 2.920 11.519 ( 1.079 -0.410 3.609) 3.789 11.550 ( -1.062 1.262 -2.347) 2.868 11.833 ( 4.268 3.841 3.939) 6.963 12.194 ( 1.757 0.621 -2.951) 3.490 12.351 ( -2.392 -4.771 0.540) 5.364 12.458 ( -2.650 9.965 -2.312) 10.567 12.520 ( 1.936 -5.687 -2.820) 6.637 12.695 ( 3.165 -1.138 -0.700) 3.435 12.849 ( 2.466 -8.077 0.887) 8.492 13.389 ( -2.492 -1.060 3.829) 4.690 13.573 ( -0.039 4.675 -6.145) 7.721 13.608 ( 1.082 3.117 0.998) 3.447 13.875 ( 2.975 -7.708 4.258) 9.295 14.133 ( -4.243 6.450 -0.120) 7.721 14.638 ( -1.757 1.779 -1.453) 2.892 15.098 ( -0.217 7.713 1.511) 7.862 15.414 ( 1.011 -6.095 -1.776) 6.428 15.500 ( 3.858 1.870 -0.858) 4.372 15.640 ( 3.791 4.849 0.494) 6.175 15.952 ( -6.649 3.548 -0.024) 7.537 16.168 ( -4.078 7.470 4.287) 9.529 16.320 ( 2.209 -8.603 -0.093) 8.883 16.921 ( 12.234 -1.265 -7.605) 14.460 17.070 ( -0.385 0.540 -4.102) 4.155 17.256 ( 0.549 4.304 -0.031) 4.339 17.334 ( -2.504 0.461 1.271) 2.846 17.523 ( -1.971 2.847 1.166) 3.654 20.022 ( -4.083 9.419 -0.350) 10.272 20.135 ( 1.939 2.601 -6.051) 6.866 20.557 ( -1.364 -5.189 2.560) 5.945 20.641 ( 2.454 -11.421 -2.070) 11.864 22.477 ( -1.892 10.781 7.311) 13.163 22.675 ( 3.433 11.156 -3.843) 12.288 22.989 ( -1.791 -8.218 3.671) 9.178 23.150 ( 2.326 -9.749 -3.531) 10.626 27.648 ( -1.901 21.354 0.317) 21.441 28.315 ( 13.815 7.213 -6.027) 16.710 28.549 ( -1.010 -11.602 -7.424) 13.811 28.763 ( -3.580 -18.137 3.849) 18.883 30.865 ( -2.718 9.465 -0.664) 9.870 31.061 ( -0.388 4.971 -1.775) 5.293 31.095 ( 3.618 6.895 -3.972) 8.741 31.241 ( -3.866 -0.492 3.173) 5.026 31.509 ( 0.532 -8.714 0.074) 8.731 31.525 ( 0.852 -6.269 -2.599) 6.840 31.748 ( -6.758 0.203 10.728) 12.680 32.192 ( 9.842 12.367 -10.080) 18.747 32.975 ( -3.293 9.572 1.841) 10.289 33.204 ( -2.121 8.152 -0.086) 8.424 33.452 ( -0.543 -3.337 2.024) 3.941 33.653 ( 5.491 -8.123 -3.792) 10.513 35.435 ( -1.648 1.035 1.563) 2.496 35.502 ( 0.079 1.708 -0.227) 1.725 35.760 ( -3.667 3.165 7.299) 8.760 35.978 ( -1.332 0.038 -1.165) 1.770 36.372 ( -3.514 -2.242 1.443) 4.411 36.499 ( -0.162 2.515 0.699) 2.615 37.600 ( 1.767 -17.076 1.107) 17.203 37.784 ( 2.435 -0.834 -0.877) 2.719 ======================= Grid point 139 (64/114) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -5.302 15.542 16.135) 23.022 1.563 ( -14.845 15.004 15.712) 26.312 2.220 ( -3.684 -4.574 -10.723) 12.226 2.335 ( -11.105 23.854 8.873) 27.768 2.450 ( -6.252 12.634 -0.426) 14.102 2.658 ( 2.654 0.851 5.718) 6.361 2.829 ( 8.666 -0.677 0.752) 8.725 2.946 ( 3.384 13.731 9.689) 17.142 3.380 ( 7.769 -5.220 -2.035) 9.578 3.502 ( 3.655 -2.939 -4.616) 6.580 3.669 ( 3.957 2.430 3.422) 5.768 3.699 ( 2.465 1.683 0.808) 3.092 3.759 ( 0.578 -3.716 -2.278) 4.396 3.985 ( 2.943 -1.144 -5.285) 6.156 4.176 ( -1.065 1.455 6.072) 6.334 4.455 ( -4.625 -5.986 -9.359) 12.034 4.705 ( 0.315 -1.673 0.528) 1.783 4.736 ( 0.029 0.029 -4.928) 4.928 4.838 ( -0.651 -3.553 -7.174) 8.032 5.127 ( 3.553 -1.718 -3.786) 5.469 5.201 ( -1.430 3.092 -1.343) 3.661 5.370 ( 3.694 0.332 -0.766) 3.787 5.481 ( -3.199 2.981 2.598) 5.086 5.616 ( 2.130 -3.624 4.324) 6.031 5.694 ( 0.544 1.644 1.539) 2.317 5.852 ( -5.602 -6.812 3.465) 9.476 5.983 ( 1.622 -1.391 6.043) 6.410 6.229 ( 3.568 0.031 -3.762) 5.185 6.440 ( 0.805 -3.211 2.542) 4.174 6.623 ( 5.096 -0.552 -1.450) 5.327 7.705 ( -2.894 0.131 0.896) 3.033 7.999 ( -0.153 -6.466 -0.519) 6.488 8.119 ( -2.343 -4.953 0.419) 5.495 8.344 ( -5.559 4.646 -6.780) 9.923 8.998 ( 2.785 0.447 3.489) 4.486 9.052 ( 0.612 -2.044 0.254) 2.148 9.223 ( -1.908 2.773 -0.186) 3.371 9.259 ( -4.432 3.685 3.683) 6.840 9.464 ( 3.137 -1.742 3.991) 5.367 9.614 ( 4.878 -4.786 2.377) 7.235 9.687 ( 0.451 -2.926 -1.541) 3.338 9.822 ( -1.947 5.731 -2.417) 6.517 10.087 ( -0.210 0.888 1.482) 1.740 10.306 ( -1.349 1.697 -0.056) 2.169 10.468 ( -4.835 -8.644 7.250) 12.274 10.689 ( 1.557 -9.228 -3.497) 9.990 11.173 ( -3.546 -5.678 2.080) 7.010 11.312 ( -4.056 -0.385 0.078) 4.075 11.390 ( -2.390 -0.917 -1.535) 2.985 11.481 ( 2.863 0.947 -4.041) 5.042 11.621 ( 1.708 -1.408 7.712) 8.024 11.855 ( 4.385 1.147 8.384) 9.531 12.141 ( -0.150 4.949 -0.903) 5.033 12.321 ( 0.153 -1.804 -1.883) 2.613 12.440 ( -1.519 -4.326 0.480) 4.610 12.590 ( 2.442 -1.618 -4.096) 5.036 12.735 ( 3.462 -1.482 -0.995) 3.895 12.947 ( 1.393 -1.598 -2.837) 3.542 13.405 ( -6.485 -2.131 3.161) 7.522 13.485 ( 3.227 1.928 -4.244) 5.670 13.589 ( 2.393 1.459 1.953) 3.416 13.962 ( -3.321 9.157 -0.251) 9.744 14.110 ( 9.163 -8.946 7.931) 15.063 14.585 ( -1.043 1.481 -0.987) 2.063 14.986 ( 0.066 7.069 4.062) 8.153 15.328 ( -2.409 9.347 -5.092) 10.913 15.468 ( 7.086 11.314 2.733) 13.627 15.567 ( 0.301 0.116 -9.134) 9.139 15.816 ( 0.586 11.241 0.914) 11.293 16.153 ( -4.430 -5.729 2.916) 7.807 16.494 ( 2.092 -8.170 -0.181) 8.436 16.867 ( 10.073 10.258 -15.024) 20.795 17.013 ( 1.106 3.050 -2.291) 3.972 17.165 ( -0.943 4.878 -1.521) 5.196 17.294 ( 0.377 3.735 2.541) 4.533 17.473 ( -3.391 1.409 3.776) 5.267 19.832 ( -3.804 7.498 -1.015) 8.469 20.042 ( -0.808 2.571 -6.591) 7.121 20.697 ( -2.219 -8.911 3.481) 9.821 20.844 ( 1.709 -10.379 -2.384) 10.786 22.336 ( -0.867 8.410 7.762) 11.477 22.470 ( 4.141 11.903 -2.974) 12.949 23.131 ( -3.832 -7.183 3.091) 8.708 23.310 ( 2.708 -8.071 -4.493) 9.626 27.295 ( -0.614 17.207 0.944) 17.244 27.942 ( 8.723 29.524 -23.676) 38.837 28.850 ( -0.336 -20.150 0.835) 20.170 29.106 ( -3.693 -19.119 4.193) 19.919 30.672 ( 6.621 12.339 5.326) 14.982 30.937 ( 2.023 6.175 -2.572) 6.989 30.983 ( 4.147 6.757 -1.857) 8.142 31.239 ( -0.797 4.856 5.679) 7.515 31.615 ( -3.611 -2.608 2.683) 5.200 31.627 ( -3.193 -3.926 -3.094) 5.931 31.793 ( 0.459 -7.463 1.998) 7.740 32.000 ( 3.033 9.317 -1.326) 9.888 32.785 ( -1.846 10.266 3.143) 10.894 33.010 ( -2.257 11.061 0.932) 11.327 33.524 ( -1.597 -3.721 2.283) 4.648 33.809 ( 6.302 -6.520 -5.250) 10.478 35.410 ( -1.242 1.437 2.037) 2.785 35.469 ( 0.411 1.672 -0.440) 1.777 35.708 ( -3.800 3.694 6.917) 8.714 35.957 ( -0.493 0.043 -2.322) 2.374 36.381 ( 0.416 1.908 -1.914) 2.735 36.407 ( -2.071 3.349 -4.270) 5.809 37.898 ( 12.925 -9.417 -8.596) 18.156 37.997 ( -14.067 -24.535 14.976) 32.002 ======================= Grid point 140 (65/114) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 0.463 12.183 23.200) 26.208 1.319 ( -7.617 13.012 23.705) 28.094 1.981 ( -2.037 16.389 31.774) 35.810 2.180 ( -10.746 -0.603 -5.028) 11.879 2.449 ( 6.477 -12.753 -2.616) 14.541 2.744 ( 1.165 10.255 4.488) 11.254 2.791 ( -3.121 -9.092 1.322) 9.703 2.927 ( 9.859 0.051 -2.551) 10.183 3.394 ( 1.331 10.726 -9.584) 14.445 3.470 ( 2.543 9.023 -9.587) 13.409 3.616 ( 2.134 0.995 0.768) 2.477 3.670 ( 1.765 1.298 0.536) 2.256 3.806 ( 0.444 -2.860 1.898) 3.461 4.046 ( 4.831 -6.328 -5.466) 9.657 4.189 ( -2.481 -0.110 7.879) 8.261 4.392 ( -2.736 3.513 -7.775) 8.960 4.690 ( -0.956 -1.607 -6.011) 6.295 4.722 ( -4.083 -0.049 2.257) 4.665 4.883 ( 3.340 -3.955 -6.133) 8.025 5.071 ( -1.060 4.348 -0.384) 4.492 5.214 ( 3.124 0.016 -1.195) 3.345 5.356 ( -3.550 -4.049 -5.237) 7.511 5.383 ( -5.093 2.137 1.849) 5.825 5.628 ( -0.149 6.597 7.589) 10.057 5.831 ( 5.679 -9.290 0.482) 10.899 6.006 ( -0.735 -7.748 3.863) 8.689 6.077 ( 3.693 -1.877 5.438) 6.836 6.247 ( 3.435 0.027 -0.513) 3.474 6.529 ( 0.313 -4.124 1.921) 4.560 6.637 ( 0.031 0.597 -0.712) 0.930 7.701 ( 0.881 0.839 3.047) 3.281 8.040 ( -13.434 -1.906 -5.918) 14.803 8.170 ( -0.835 -3.468 -0.020) 3.567 8.262 ( 2.965 -1.330 -3.102) 4.493 9.030 ( 3.458 -2.004 0.410) 4.018 9.088 ( 0.062 0.144 2.422) 2.427 9.156 ( -0.081 3.549 2.330) 4.246 9.254 ( -1.862 -2.214 2.682) 3.945 9.538 ( 3.673 -1.453 3.758) 5.452 9.687 ( -0.089 4.347 0.016) 4.348 9.699 ( 1.371 -0.969 -2.271) 2.824 9.818 ( 1.617 -5.585 1.948) 6.132 10.032 ( -0.764 4.123 0.840) 4.277 10.253 ( -3.596 1.232 -1.505) 4.088 10.582 ( -6.598 -4.681 6.511) 10.385 10.827 ( -0.532 -7.494 -6.288) 9.797 11.238 ( 0.341 0.537 -3.249) 3.311 11.313 ( -2.581 -2.165 -1.073) 3.535 11.351 ( -8.599 -5.472 1.409) 10.289 11.497 ( 1.123 -1.285 -4.068) 4.412 11.653 ( 3.089 3.056 5.346) 6.889 11.917 ( -2.030 -0.629 1.654) 2.693 12.189 ( 4.249 -8.782 9.443) 13.577 12.412 ( 4.612 -5.163 0.589) 6.948 12.504 ( -1.497 -3.424 0.639) 3.792 12.603 ( 5.957 2.484 3.314) 7.256 12.768 ( 4.752 -0.468 -4.995) 6.910 12.921 ( -0.274 1.522 -4.036) 4.322 13.417 ( -5.868 -2.717 3.395) 7.304 13.486 ( 3.959 -0.439 -3.640) 5.396 13.615 ( 1.740 -0.572 2.357) 2.985 13.767 ( -2.839 8.686 -1.849) 9.323 14.397 ( 11.165 -8.265 6.154) 15.193 14.561 ( -0.354 0.184 -2.113) 2.150 14.861 ( 1.026 9.025 4.730) 10.241 15.136 ( -2.324 6.165 -2.974) 7.229 15.318 ( 6.465 15.138 -2.791) 16.696 15.354 ( 5.929 16.599 -3.937) 18.060 15.653 ( 9.571 9.422 0.388) 13.436 16.129 ( -11.416 2.068 -5.927) 13.028 16.629 ( 1.623 -5.848 1.424) 6.234 16.737 ( 3.257 0.359 -2.243) 3.971 16.979 ( 1.054 1.185 0.080) 1.588 17.071 ( 0.533 3.728 -2.181) 4.352 17.255 ( 3.740 3.931 3.758) 6.601 17.442 ( -4.969 1.306 3.045) 5.972 19.705 ( -0.842 3.794 -0.547) 3.925 19.974 ( -4.945 -0.920 -7.027) 8.642 20.849 ( -1.612 -7.157 2.540) 7.764 20.992 ( 0.320 -6.399 -2.707) 6.955 22.241 ( -2.008 5.168 3.701) 6.666 22.302 ( 4.100 8.365 -2.112) 9.552 23.221 ( -4.487 -5.013 3.510) 7.588 23.415 ( 2.310 -3.994 -4.236) 6.263 27.049 ( -0.094 10.180 0.592) 10.197 27.278 ( -0.165 29.918 -13.253) 32.723 29.209 ( 4.058 -15.377 3.723) 16.334 29.397 ( -2.740 -12.803 2.245) 13.284 30.672 ( 16.440 1.872 7.385) 18.120 30.862 ( 2.965 2.889 -2.192) 4.685 30.906 ( 8.938 5.590 -0.566) 10.557 31.093 ( 2.773 13.771 4.672) 14.804 31.555 ( 2.167 1.908 -4.377) 5.243 31.637 ( -9.986 0.459 1.030) 10.050 31.927 ( 5.622 -1.144 3.061) 6.503 31.988 ( -3.163 -7.216 2.755) 8.346 32.643 ( 1.078 7.245 5.267) 9.022 32.818 ( -1.254 8.815 2.218) 9.176 33.574 ( -2.453 -1.979 2.415) 3.970 33.912 ( 5.923 -3.501 -6.903) 9.747 35.393 ( -1.324 0.843 2.773) 3.187 35.451 ( 1.336 0.648 -0.872) 1.722 35.658 ( -3.489 2.545 6.062) 7.443 35.950 ( 1.300 -0.811 -3.857) 4.150 36.238 ( 0.662 7.612 -3.008) 8.211 36.379 ( -4.183 -1.585 -5.000) 6.708 38.134 ( 16.819 -7.583 -4.568) 19.006 38.364 ( -26.641 -22.857 4.335) 35.369 ======================= Grid point 142 (66/114) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 7.775 0.000 15.071) 16.958 1.777 ( 16.297 0.000 28.724) 33.025 2.114 ( 13.945 0.000 -12.473) 18.709 2.258 ( -0.322 -0.000 -19.614) 19.617 2.581 ( 9.944 0.000 20.542) 22.823 2.799 ( -1.704 -0.000 -0.877) 1.916 2.820 ( -5.837 -0.000 -8.910) 10.652 2.944 ( 2.362 0.000 -5.050) 5.575 2.995 ( 3.517 0.000 6.919) 7.761 3.232 ( 2.334 0.000 -17.301) 17.458 3.603 ( -2.868 -0.000 0.026) 2.868 3.706 ( 1.244 0.000 -3.708) 3.911 3.847 ( -10.949 -0.000 -3.217) 11.411 3.988 ( -2.135 -0.000 1.220) 2.459 4.328 ( -2.477 -0.000 9.875) 10.181 4.440 ( -14.659 -0.000 -5.915) 15.807 4.480 ( 6.530 0.000 13.170) 14.700 4.622 ( 2.598 0.000 -4.087) 4.843 4.938 ( -5.247 -0.000 -4.837) 7.136 4.985 ( 3.203 0.000 2.056) 3.806 5.154 ( -8.119 -0.000 -1.048) 8.186 5.258 ( 2.035 0.000 0.420) 2.078 5.553 ( 6.882 0.000 7.362) 10.078 5.561 ( -1.809 -0.000 -4.148) 4.525 5.950 ( -2.761 -0.000 4.551) 5.323 6.041 ( -2.087 -0.000 -6.266) 6.604 6.177 ( -3.604 -0.000 3.904) 5.313 6.261 ( 0.238 0.000 -3.238) 3.246 6.556 ( -3.075 -0.000 2.335) 3.861 6.608 ( -0.447 -0.000 1.668) 1.727 7.783 ( -0.484 -0.000 -0.839) 0.968 7.906 ( 10.415 0.000 4.590) 11.381 8.231 ( 2.985 0.000 1.485) 3.334 8.254 ( -1.633 -0.000 -5.749) 5.976 9.072 ( -4.950 -0.000 1.225) 5.100 9.175 ( -5.879 -0.000 -5.965) 8.375 9.257 ( 5.637 0.000 3.214) 6.489 9.287 ( 6.809 0.000 -0.786) 6.854 9.482 ( -13.392 -0.000 -0.566) 13.404 9.585 ( -1.308 -0.000 1.552) 2.030 9.706 ( 7.105 0.000 2.005) 7.383 9.887 ( 11.977 0.000 5.141) 13.034 10.032 ( -8.557 -0.000 -6.601) 10.807 10.215 ( 5.892 0.000 1.573) 6.098 10.622 ( -0.477 -0.000 5.874) 5.893 10.894 ( 8.058 0.000 -3.352) 8.727 11.177 ( -4.625 -0.000 -3.053) 5.542 11.179 ( -7.486 -0.000 5.700) 9.409 11.366 ( 3.143 0.000 -0.257) 3.153 11.593 ( 10.311 0.000 0.198) 10.312 11.795 ( 3.505 0.000 6.231) 7.149 11.801 ( -3.291 -0.000 -3.375) 4.714 12.489 ( -1.622 -0.000 1.352) 2.112 12.496 ( -6.832 -0.000 -0.622) 6.861 12.577 ( 2.148 0.000 -2.589) 3.364 12.628 ( -1.203 -0.000 -2.097) 2.417 12.818 ( 3.721 0.000 -3.265) 4.950 12.842 ( -0.525 -0.000 -4.958) 4.986 13.382 ( -4.731 -0.000 1.509) 4.966 13.461 ( 0.136 0.000 0.751) 0.764 13.590 ( -3.657 -0.000 0.407) 3.679 13.683 ( 2.220 0.000 0.725) 2.336 14.485 ( 0.942 0.000 -0.379) 1.015 14.495 ( -0.465 -0.000 -2.897) 2.934 14.864 ( -11.578 -0.000 -2.810) 11.914 15.017 ( 0.390 0.000 -0.397) 0.557 15.163 ( -8.521 -0.000 0.232) 8.525 15.261 ( 0.116 0.000 -2.645) 2.648 15.631 ( -4.327 -0.000 -4.224) 6.047 16.092 ( 20.055 0.000 1.706) 20.127 16.727 ( -2.660 -0.000 0.441) 2.696 16.769 ( -1.222 -0.000 -0.677) 1.397 16.939 ( -3.036 -0.000 1.587) 3.426 17.023 ( -0.441 -0.000 -1.704) 1.761 17.280 ( -6.166 -0.000 -1.184) 6.279 17.438 ( 6.318 0.000 4.289) 7.636 19.773 ( 0.789 0.000 -6.403) 6.452 19.815 ( 9.189 0.000 4.052) 10.043 20.949 ( 0.351 0.000 2.286) 2.313 21.000 ( 0.081 0.000 -1.736) 1.738 22.087 ( -7.013 -0.000 2.286) 7.376 22.291 ( 3.578 0.000 -1.466) 3.866 23.293 ( -1.194 -0.000 3.514) 3.711 23.437 ( 2.480 0.000 -3.265) 4.100 26.954 ( -0.096 -0.000 0.120) 0.153 26.959 ( 0.028 0.000 -0.125) 0.128 29.462 ( -2.473 -0.000 -1.953) 3.151 29.541 ( 5.547 0.000 2.741) 6.188 30.592 ( -17.160 -0.000 2.118) 17.290 30.760 ( -4.431 -0.000 -0.502) 4.459 30.768 ( -2.688 -0.000 -2.303) 3.540 31.210 ( 2.247 0.000 -7.888) 8.202 31.402 ( -5.050 -0.000 0.341) 5.061 31.972 ( 6.243 0.000 -2.733) 6.815 32.077 ( 3.911 0.000 1.685) 4.259 32.205 ( 24.684 0.000 -7.522) 25.805 32.747 ( 0.178 0.000 -1.641) 1.650 32.868 ( 25.066 0.000 -4.675) 25.498 33.571 ( -5.213 -0.000 6.233) 8.126 33.912 ( 4.774 0.000 -10.743) 11.756 35.379 ( -2.722 -0.000 1.748) 3.235 35.477 ( 1.627 0.000 -0.689) 1.767 35.673 ( -3.002 -0.000 7.452) 8.034 35.897 ( 1.626 0.000 -6.345) 6.550 36.173 ( -0.251 -0.000 4.399) 4.406 36.229 ( -1.911 -0.000 -3.791) 4.245 37.735 ( -40.929 -0.000 10.505) 42.256 38.660 ( 17.663 0.000 3.071) 17.928 ======================= Grid point 143 (67/114) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 7.935 -4.841 1.170) 9.368 1.887 ( 5.798 12.903 20.021) 24.514 2.093 ( 14.295 1.184 -8.690) 16.771 2.301 ( 12.988 -4.615 -14.481) 19.992 2.599 ( -5.658 -1.557 2.535) 6.392 2.839 ( 8.538 -1.511 9.609) 12.942 2.877 ( 1.194 -7.132 -6.311) 9.598 3.044 ( 4.476 -2.934 -8.918) 10.401 3.156 ( -1.642 -15.118 0.039) 15.207 3.330 ( 0.283 -16.897 -4.815) 17.572 3.540 ( -3.096 4.364 -0.707) 5.397 3.619 ( -6.577 0.977 -6.180) 9.078 3.833 ( -0.425 -0.534 0.562) 0.884 3.918 ( -4.410 3.277 2.302) 5.957 4.238 ( -11.105 3.482 -3.928) 12.283 4.395 ( -2.861 -1.750 7.033) 7.792 4.534 ( -3.011 -1.621 -3.545) 4.925 4.663 ( 7.159 3.612 12.292) 14.676 4.811 ( -3.650 5.116 -2.280) 6.685 5.022 ( -0.699 -0.216 2.450) 2.557 5.141 ( -3.265 -3.997 -0.656) 5.203 5.223 ( 0.815 3.978 -1.980) 4.518 5.588 ( 0.527 -0.123 -3.383) 3.426 5.624 ( 2.685 -3.165 5.087) 6.565 5.929 ( -2.388 3.637 1.559) 4.621 5.959 ( -2.172 0.759 -5.392) 5.863 6.128 ( -2.494 3.387 5.092) 6.604 6.227 ( -1.286 2.443 -5.159) 5.851 6.523 ( -1.851 3.587 2.128) 4.563 6.576 ( -2.584 2.266 1.219) 3.646 7.787 ( 2.500 0.884 -0.237) 2.663 8.037 ( 9.509 -1.559 5.922) 11.310 8.171 ( -1.598 3.460 -3.084) 4.903 8.242 ( 2.255 1.862 -1.946) 3.513 8.965 ( -7.617 3.681 -0.909) 8.509 9.077 ( -3.263 2.785 -1.802) 4.653 9.273 ( 2.317 1.156 0.847) 2.724 9.353 ( 3.515 -1.096 0.676) 3.744 9.421 ( -3.834 -0.934 -1.160) 4.113 9.604 ( -1.326 -0.504 2.457) 2.837 9.791 ( 7.963 -1.263 1.958) 8.297 9.926 ( -7.944 0.683 -8.317) 11.521 10.046 ( 9.944 -3.073 5.027) 11.558 10.277 ( 2.218 -2.328 0.020) 3.215 10.622 ( 1.031 4.763 6.106) 7.813 10.885 ( 7.792 5.670 -3.132) 10.133 11.099 ( -3.677 2.054 3.016) 5.180 11.196 ( -4.776 -2.572 2.890) 6.146 11.380 ( 5.097 1.196 0.886) 5.310 11.613 ( 10.126 5.883 0.321) 11.715 11.777 ( -3.552 -2.337 -4.043) 5.867 11.913 ( 4.532 -4.699 5.275) 8.393 12.309 ( -4.283 8.474 -0.265) 9.499 12.420 ( -7.462 5.340 -9.258) 13.035 12.512 ( -2.042 7.116 -2.094) 7.693 12.594 ( 3.119 1.843 2.674) 4.502 12.771 ( -4.922 -0.196 -7.076) 8.622 12.825 ( -0.458 0.420 -0.141) 0.637 13.313 ( -2.593 2.507 3.053) 4.725 13.519 ( -0.058 -1.873 0.302) 1.898 13.642 ( -1.110 -1.532 -1.045) 2.161 13.728 ( 1.026 -8.198 3.457) 8.956 14.426 ( -5.706 4.108 -4.695) 8.454 14.561 ( 2.254 -5.011 -1.899) 5.813 14.896 ( -9.359 -11.073 -4.772) 15.263 15.006 ( -0.708 -8.260 5.328) 9.855 15.250 ( -11.390 -9.629 -4.194) 15.493 15.255 ( -1.844 -5.380 -0.882) 5.755 15.707 ( 7.873 -7.265 -1.189) 10.779 16.232 ( 12.686 0.181 0.952) 12.723 16.629 ( -4.357 6.094 -0.273) 7.496 16.668 ( -3.880 7.580 -0.386) 8.525 16.951 ( -2.480 -2.873 -0.248) 3.803 17.048 ( 0.225 -3.601 -0.400) 3.630 17.291 ( -3.166 -4.915 -1.454) 6.025 17.511 ( 3.932 -0.879 2.949) 4.992 19.799 ( 3.898 -4.513 -4.654) 7.564 19.902 ( 8.663 0.911 4.004) 9.587 20.879 ( -0.823 7.888 2.834) 8.423 20.962 ( 1.622 4.530 -2.065) 5.236 22.125 ( -6.656 -8.222 2.483) 10.866 22.376 ( 2.611 -7.138 -2.004) 7.861 23.234 ( -2.094 6.856 4.305) 8.362 23.405 ( 3.090 3.956 -3.269) 5.990 27.080 ( -0.201 -13.516 1.837) 13.642 27.090 ( -0.603 -13.846 -1.730) 13.966 29.259 ( -2.899 16.558 -2.543) 17.001 29.506 ( 6.836 10.035 0.894) 12.175 30.598 ( -15.705 -13.486 -3.298) 20.962 30.750 ( -3.135 -2.590 1.741) 4.423 30.772 ( -3.169 -3.453 -0.783) 4.752 31.232 ( 1.302 -4.494 -3.409) 5.789 31.402 ( -1.568 -2.103 1.740) 3.148 31.910 ( 0.224 7.225 -1.344) 7.353 31.997 ( 5.059 9.779 -1.203) 11.076 32.408 ( 15.556 -6.506 -8.044) 18.682 32.807 ( 2.050 -7.157 -3.793) 8.356 33.033 ( 25.985 0.374 -9.507) 27.672 33.547 ( -6.078 2.178 7.168) 9.647 33.858 ( 4.154 3.100 -10.728) 11.915 35.379 ( -2.594 -1.323 1.331) 3.202 35.482 ( 1.077 -0.070 -0.717) 1.296 35.710 ( -3.665 -1.992 7.793) 8.839 35.903 ( 2.124 -2.229 -4.252) 5.250 36.207 ( -0.745 -0.546 -1.220) 1.530 36.242 ( 0.817 -4.468 3.286) 5.606 37.444 ( -34.295 5.965 13.980) 37.512 38.690 ( 13.373 11.562 1.180) 17.717 ======================= Grid point 144 (68/114) ======================= q-point: ( 0.38 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 1.337 -1.635 9.560) 9.791 1.942 ( 6.016 -5.126 -6.914) 10.501 2.201 ( 12.520 -2.511 -3.676) 13.288 2.372 ( 13.072 0.284 -1.858) 13.206 2.677 ( -2.184 -3.761 -1.755) 4.690 2.878 ( -0.559 4.562 -4.315) 6.305 2.925 ( 2.162 -7.745 -5.838) 9.937 3.223 ( 0.084 -17.708 -1.829) 17.802 3.281 ( -2.625 1.249 -9.041) 9.497 3.439 ( 0.349 -0.176 -3.130) 3.155 3.567 ( -3.997 -8.238 2.893) 9.602 3.676 ( 1.425 -5.941 1.921) 6.404 3.756 ( -3.380 1.058 -3.873) 5.248 3.891 ( 1.408 -0.037 -2.061) 2.496 4.153 ( -3.315 1.486 6.078) 7.081 4.426 ( -7.002 -0.891 1.536) 7.223 4.497 ( -5.250 -2.878 -3.978) 7.188 4.682 ( 2.312 4.619 6.266) 8.120 4.754 ( 5.172 1.229 4.087) 6.705 5.024 ( -2.590 -1.067 0.560) 2.857 5.143 ( 1.771 5.203 0.589) 5.527 5.204 ( -3.224 -3.232 3.447) 5.720 5.515 ( 2.178 6.288 1.144) 6.752 5.737 ( 1.838 -1.368 -4.113) 4.708 5.778 ( -3.602 2.976 -2.399) 5.252 5.904 ( -0.116 6.079 5.120) 7.948 6.110 ( -3.471 3.882 -5.038) 7.246 6.175 ( 2.341 -6.948 -1.079) 7.411 6.421 ( -4.354 6.085 4.091) 8.527 6.527 ( -2.256 1.231 -1.865) 3.176 7.780 ( 2.371 1.243 -1.030) 2.869 8.011 ( -4.687 6.596 -1.682) 8.264 8.079 ( -1.855 3.709 -0.673) 4.201 8.336 ( 13.552 -4.330 4.012) 14.782 8.932 ( -2.953 -3.617 1.904) 5.043 8.989 ( -1.365 3.922 0.994) 4.270 9.274 ( -2.317 -1.044 0.978) 2.723 9.375 ( 0.396 -0.032 1.327) 1.385 9.437 ( 3.897 0.504 -0.745) 4.000 9.584 ( -2.107 2.675 2.314) 4.117 9.777 ( -6.078 1.698 -9.939) 11.773 9.902 ( 7.047 -2.040 0.185) 7.339 10.129 ( 3.828 2.530 0.662) 4.636 10.300 ( -3.444 -0.595 -1.062) 3.653 10.535 ( -0.043 7.546 4.506) 8.789 10.784 ( 6.160 8.983 -4.748) 11.881 11.085 ( -2.478 0.591 5.250) 5.836 11.250 ( -0.121 -3.896 3.701) 5.375 11.418 ( 4.482 -0.277 1.180) 4.643 11.570 ( 10.100 6.676 -2.201) 12.306 11.765 ( -4.947 -1.714 -3.857) 6.503 12.043 ( 0.403 -2.178 -2.138) 3.078 12.147 ( -1.487 4.638 -1.426) 5.075 12.236 ( -4.562 0.575 -4.123) 6.176 12.406 ( 0.073 2.960 2.333) 3.770 12.520 ( 3.053 8.945 2.005) 9.662 12.719 ( -7.484 -0.807 -4.423) 8.730 12.837 ( -0.808 -2.620 2.006) 3.397 13.303 ( -0.821 -0.908 3.093) 3.327 13.535 ( 3.137 2.131 0.149) 3.795 13.594 ( -7.879 -1.921 -2.064) 8.368 13.962 ( 5.313 -6.539 4.484) 9.544 14.262 ( -8.292 0.306 -9.785) 12.829 14.600 ( 4.535 2.947 0.056) 5.409 15.018 ( -4.388 -9.619 0.717) 10.597 15.209 ( -0.531 -4.965 2.831) 5.740 15.327 ( -6.566 -13.429 -0.062) 14.949 15.423 ( -4.986 -12.388 -0.934) 13.386 15.897 ( 9.052 -5.146 -0.057) 10.413 16.304 ( 7.196 0.229 0.114) 7.201 16.474 ( -7.074 5.667 -3.598) 9.752 16.535 ( -3.163 1.186 3.153) 4.621 16.991 ( -1.132 -3.578 -1.334) 3.983 17.137 ( 0.497 -5.242 0.817) 5.329 17.350 ( 0.065 -3.251 -0.807) 3.351 17.551 ( 1.020 -0.159 1.270) 1.637 19.933 ( 5.595 -8.078 -2.965) 10.264 19.966 ( 5.932 -0.707 2.201) 6.367 20.714 ( -2.081 10.782 3.036) 11.394 20.845 ( 1.983 8.089 -2.898) 8.818 22.284 ( -5.569 -12.632 2.628) 14.052 22.533 ( 1.853 -9.515 -3.101) 10.177 23.091 ( -3.416 9.268 4.997) 11.070 23.311 ( 3.183 7.192 -3.075) 8.445 27.364 ( -0.803 -19.002 -3.226) 19.291 27.439 ( -1.254 -22.650 6.498) 23.598 28.881 ( -1.698 21.392 -1.664) 21.524 29.323 ( 7.948 15.515 -2.399) 17.597 30.726 ( -6.944 -11.745 -3.879) 14.186 30.821 ( -4.354 -6.264 1.282) 7.735 30.850 ( -3.801 -9.572 1.217) 10.371 31.307 ( -0.368 -3.598 -1.250) 3.827 31.476 ( 1.384 -3.486 5.186) 6.400 31.751 ( -1.905 8.127 -0.704) 8.377 31.815 ( 2.458 11.837 -3.717) 12.648 32.547 ( 13.238 -2.347 -11.672) 17.804 32.959 ( 5.884 -8.166 -5.345) 11.396 33.148 ( 14.607 -1.559 -5.374) 15.642 33.476 ( -6.783 4.625 6.568) 10.514 33.752 ( 2.342 5.309 -8.544) 10.328 35.400 ( -1.722 -1.945 1.279) 2.895 35.495 ( 0.426 -1.042 -0.489) 1.227 35.765 ( -4.749 -2.582 7.800) 9.490 35.942 ( 1.928 -1.597 -1.235) 2.792 36.225 ( -0.866 -1.901 2.026) 2.910 36.371 ( 2.889 -6.678 0.187) 7.278 37.202 ( -24.110 3.621 13.892) 28.061 38.486 ( 9.199 18.920 -4.341) 21.481 ======================= Grid point 145 (69/114) ======================= q-point: ( 0.50 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 2.660 4.008 -3.828) 6.147 2.080 ( 3.265 -13.371 0.059) 13.764 2.274 ( 7.883 0.993 -1.557) 8.096 2.508 ( 4.914 -3.231 4.369) 7.327 2.618 ( -2.938 3.223 1.837) 4.732 2.796 ( 0.152 0.344 -2.423) 2.452 3.034 ( -3.798 -6.310 -6.515) 9.834 3.183 ( 2.852 0.656 -10.287) 10.696 3.421 ( -2.551 -3.911 -4.730) 6.647 3.527 ( 5.024 -4.944 3.976) 8.092 3.617 ( 1.179 1.637 -8.619) 8.852 3.682 ( -0.174 0.414 5.361) 5.379 3.768 ( -2.292 -7.327 -4.502) 8.900 3.903 ( -3.979 1.509 -4.318) 6.062 4.135 ( 4.107 3.565 8.021) 9.691 4.356 ( -9.279 -1.139 -1.551) 9.476 4.534 ( -4.168 -4.067 1.152) 5.937 4.645 ( 4.259 3.732 0.457) 5.681 4.807 ( 3.765 0.885 1.096) 4.020 5.028 ( 0.561 -0.211 -2.940) 3.000 5.112 ( 3.454 1.329 9.695) 10.378 5.208 ( -5.337 -0.299 0.618) 5.381 5.446 ( 3.516 4.455 2.157) 6.071 5.625 ( -2.135 3.465 0.047) 4.070 5.810 ( 2.747 2.892 -1.752) 4.357 5.863 ( -1.580 -2.395 2.412) 3.748 6.022 ( -3.666 0.800 -0.610) 3.802 6.301 ( -3.224 -1.671 -0.715) 3.701 6.338 ( 0.816 -1.684 0.580) 1.959 6.482 ( -0.638 -0.332 -3.596) 3.668 7.766 ( -0.424 1.450 -0.999) 1.811 7.876 ( -2.814 1.919 -1.291) 3.643 8.021 ( 0.088 2.147 2.535) 3.323 8.505 ( 10.007 -0.848 1.067) 10.099 8.957 ( -0.037 0.072 3.059) 3.060 9.010 ( -2.604 -4.858 1.006) 5.603 9.287 ( -0.169 -0.852 0.047) 0.870 9.374 ( 1.458 3.348 2.450) 4.397 9.433 ( 0.092 0.740 1.043) 1.282 9.486 ( -4.143 4.818 -1.462) 6.520 9.737 ( 1.242 -5.310 -4.313) 6.953 9.949 ( -0.344 0.932 -3.883) 4.008 10.036 ( 1.863 7.698 -0.169) 7.922 10.265 ( -7.305 -2.769 -1.616) 7.977 10.444 ( 2.094 6.198 3.764) 7.548 10.628 ( 4.847 8.835 -5.526) 11.493 11.077 ( -3.517 0.685 5.175) 6.294 11.348 ( 0.971 -2.982 3.703) 4.852 11.456 ( 3.445 0.675 1.236) 3.722 11.515 ( 6.515 4.232 -4.302) 8.881 11.696 ( -3.834 3.417 -3.570) 6.254 11.928 ( -5.839 1.671 -7.474) 9.630 12.122 ( 0.523 -2.402 0.000) 2.459 12.355 ( 1.771 5.357 3.626) 6.707 12.389 ( 2.607 -7.951 2.393) 8.703 12.447 ( 1.731 -1.058 1.185) 2.349 12.655 ( -5.281 -0.659 -1.872) 5.641 12.846 ( 0.344 4.114 0.110) 4.130 13.376 ( 2.975 -2.366 6.012) 7.113 13.484 ( -4.870 -1.637 -3.301) 6.106 13.619 ( -1.943 -3.801 0.335) 4.282 13.934 ( 0.234 8.826 -0.581) 8.849 14.279 ( 0.940 -4.330 -6.609) 7.957 14.590 ( 1.810 0.173 3.552) 3.991 15.120 ( -3.315 -6.823 -1.782) 7.793 15.316 ( -3.102 -2.618 4.553) 6.100 15.415 ( 0.555 -2.121 0.037) 2.193 15.592 ( -3.173 -9.041 -0.170) 9.583 16.022 ( 8.410 -1.156 2.460) 8.839 16.284 ( -7.649 6.611 -3.529) 10.708 16.334 ( 0.642 -0.667 0.594) 1.100 16.640 ( 1.022 -9.551 0.339) 9.612 17.038 ( 0.444 -2.548 -1.095) 2.809 17.229 ( -1.076 -4.480 0.635) 4.651 17.385 ( 2.230 0.530 0.600) 2.370 17.556 ( -1.074 -0.257 0.451) 1.193 20.041 ( 3.552 -3.505 1.205) 5.134 20.132 ( 5.170 -9.065 -2.657) 10.769 20.514 ( -2.757 10.377 2.645) 11.058 20.689 ( 1.313 8.400 -3.447) 9.175 22.497 ( -4.160 -13.213 2.480) 14.073 22.694 ( 2.249 -8.010 -3.089) 8.875 22.929 ( -3.749 7.472 4.337) 9.418 23.165 ( 2.293 9.533 -2.814) 10.200 27.705 ( 0.780 -20.781 -1.783) 20.872 27.887 ( -3.915 -24.085 7.268) 25.461 28.471 ( -0.253 22.936 0.422) 22.941 29.070 ( 7.283 16.391 -7.113) 19.295 30.859 ( -2.820 -8.094 1.065) 8.637 30.922 ( -2.194 -6.786 2.376) 7.517 31.032 ( -1.998 -11.831 -1.705) 12.119 31.342 ( 1.887 -1.092 -0.287) 2.199 31.504 ( 1.462 6.733 1.121) 6.980 31.565 ( -0.677 10.831 -3.488) 11.399 31.692 ( -3.807 -1.722 5.083) 6.580 32.544 ( 12.650 5.064 -16.540) 21.430 33.097 ( 5.679 -4.633 -2.984) 7.913 33.288 ( 5.172 -6.958 -1.965) 8.890 33.359 ( -5.430 5.553 5.044) 9.261 33.618 ( -0.156 6.163 -4.814) 7.822 35.429 ( -1.120 -1.368 1.544) 2.347 35.515 ( 0.120 -1.039 -0.239) 1.073 35.806 ( -4.956 -1.258 7.350) 8.953 35.966 ( 0.489 -0.395 0.081) 0.634 36.275 ( -2.858 -2.806 4.529) 6.046 36.488 ( 1.235 -3.286 1.156) 3.697 37.146 ( -9.860 -6.010 8.349) 14.249 38.161 ( 6.001 18.511 -8.516) 21.241 ======================= Grid point 146 (70/114) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 2.190 10.576 4.891) 11.856 2.141 ( -4.842 13.280 2.161) 14.300 2.216 ( 7.268 2.942 -3.632) 8.641 2.547 ( -8.174 -1.131 0.063) 8.252 2.710 ( 1.691 -2.718 4.525) 5.543 2.886 ( 11.061 -7.690 -1.292) 13.533 2.996 ( -4.450 2.525 -2.156) 5.552 3.194 ( 5.646 -1.917 -9.731) 11.412 3.371 ( -0.267 8.247 0.539) 8.269 3.472 ( -3.064 3.127 -0.275) 4.387 3.599 ( 2.068 -2.992 -1.013) 3.775 3.683 ( -3.333 2.850 1.141) 4.532 3.811 ( -5.005 -1.439 -2.062) 5.601 3.906 ( 5.200 -4.988 -2.435) 7.606 4.173 ( 3.678 0.532 1.471) 3.997 4.315 ( -4.951 0.340 3.993) 6.370 4.590 ( -4.298 -4.963 3.335) 7.364 4.654 ( 6.912 -0.374 -1.692) 7.126 4.782 ( -0.033 1.377 -5.123) 5.305 5.026 ( 2.685 -1.120 -1.991) 3.525 5.175 ( -4.401 -2.139 -5.061) 7.040 5.246 ( 7.479 -3.550 10.149) 13.098 5.436 ( 0.029 -0.766 -3.519) 3.602 5.584 ( -0.800 0.131 3.636) 3.725 5.764 ( -0.064 3.099 -0.629) 3.163 5.874 ( -4.599 1.051 3.452) 5.846 6.001 ( -1.441 0.760 2.256) 2.783 6.244 ( -4.111 1.079 -1.220) 4.422 6.381 ( 0.715 -1.100 -0.666) 1.471 6.530 ( 2.531 -5.036 -4.565) 7.253 7.721 ( -1.975 1.032 0.625) 2.314 7.868 ( -0.711 -1.018 -0.247) 1.266 8.042 ( 4.547 -0.067 4.022) 6.071 8.517 ( 3.302 3.979 -3.464) 6.224 8.996 ( 0.168 -1.416 3.374) 3.663 9.039 ( -4.120 -1.650 -2.448) 5.069 9.244 ( -5.135 2.324 -3.697) 6.741 9.336 ( -0.295 1.831 3.834) 4.259 9.412 ( 1.549 0.560 3.476) 3.846 9.463 ( 0.503 -2.208 -1.603) 2.774 9.792 ( -3.004 7.998 -3.716) 9.317 9.874 ( 0.660 -6.305 -0.075) 6.340 10.005 ( 3.084 -2.560 -0.923) 4.113 10.273 ( -4.513 -1.625 0.794) 4.862 10.390 ( 0.735 1.395 2.429) 2.896 10.527 ( 6.161 4.224 -2.531) 7.887 11.074 ( -4.154 -0.396 5.515) 6.916 11.363 ( 0.854 3.157 -1.346) 3.537 11.443 ( -1.844 3.002 0.564) 3.567 11.507 ( 1.635 -2.610 1.971) 3.656 11.577 ( -1.280 3.915 -4.689) 6.241 11.899 ( 1.900 -1.787 0.260) 2.621 12.224 ( 1.024 -7.121 -0.171) 7.196 12.260 ( 2.554 6.107 1.256) 6.738 12.439 ( 0.056 -0.886 -1.264) 1.544 12.606 ( -0.677 -2.361 -0.738) 2.565 12.684 ( -0.728 -5.363 -0.925) 5.490 12.693 ( -2.514 4.147 -1.564) 5.095 13.406 ( -1.628 1.329 3.517) 4.097 13.528 ( -0.525 -3.200 -3.020) 4.432 13.722 ( 4.886 -3.811 4.437) 7.621 13.792 ( 0.504 3.155 -0.324) 3.211 14.248 ( 1.601 5.486 0.753) 5.764 14.629 ( -0.900 -0.780 -0.357) 1.244 15.235 ( -2.201 -8.482 -0.421) 8.773 15.252 ( 1.623 6.461 1.532) 6.836 15.504 ( 0.487 -4.008 -0.239) 4.044 15.662 ( -4.040 -3.259 -1.360) 5.366 16.038 ( 2.770 9.013 1.551) 9.556 16.203 ( 1.269 -6.220 0.965) 6.421 16.298 ( -4.123 5.728 3.488) 7.873 16.817 ( 2.554 -9.898 -7.939) 12.943 17.071 ( 2.499 -0.279 -0.594) 2.583 17.275 ( -2.709 -1.345 -0.273) 3.037 17.374 ( 2.725 2.755 1.975) 4.350 17.544 ( -2.560 0.850 0.470) 2.738 20.129 ( 2.565 -1.413 -1.710) 3.391 20.173 ( -1.111 6.935 -0.877) 7.078 20.467 ( 2.636 -7.006 -0.132) 7.487 20.551 ( -0.838 4.196 -1.765) 4.629 22.651 ( -2.489 1.473 3.647) 4.654 22.738 ( -1.313 -1.979 2.306) 3.310 22.929 ( 2.645 -4.424 -3.119) 6.025 23.008 ( -0.391 3.207 -1.512) 3.567 28.032 ( -0.785 20.469 0.449) 20.489 28.093 ( 3.497 -21.041 0.936) 21.350 28.333 ( -3.809 -19.317 5.939) 20.565 28.758 ( 2.589 16.709 -13.984) 21.942 30.946 ( -1.306 -0.549 3.927) 4.175 31.054 ( 0.628 -5.804 3.061) 6.592 31.157 ( 1.627 -3.596 -2.648) 4.753 31.309 ( -1.347 10.475 -2.165) 10.781 31.419 ( 4.647 -2.312 1.831) 5.504 31.453 ( 3.438 -0.822 -1.425) 3.811 31.734 ( -8.209 -1.793 8.369) 11.859 32.394 ( 8.748 9.708 -16.914) 21.374 33.124 ( -0.097 6.303 2.164) 6.665 33.251 ( -2.595 0.411 -0.516) 2.678 33.455 ( 3.309 0.165 0.172) 3.318 33.524 ( 0.230 -4.899 -2.311) 5.422 35.443 ( -1.041 -0.031 1.881) 2.150 35.523 ( 0.148 0.387 -0.083) 0.423 35.813 ( -4.709 1.027 7.392) 8.825 35.963 ( -1.049 0.260 -0.611) 1.242 36.313 ( -4.509 -1.716 3.659) 6.055 36.527 ( -1.125 -0.281 3.511) 3.698 37.341 ( 1.720 -14.189 2.528) 14.514 37.874 ( 2.638 10.822 -7.911) 13.662 ======================= Grid point 147 (71/114) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 3.380 13.520 14.696) 20.253 1.849 ( -3.901 17.109 7.945) 19.263 2.146 ( 3.917 5.093 -6.967) 9.477 2.408 ( -9.642 5.449 -7.467) 13.357 2.626 ( -1.845 9.841 3.023) 10.459 2.856 ( 1.264 6.520 1.745) 6.867 3.067 ( 5.707 6.881 -1.720) 9.104 3.210 ( 9.482 3.433 12.137) 15.779 3.319 ( 4.954 -4.465 0.084) 6.670 3.467 ( -3.109 0.683 0.560) 3.232 3.635 ( 0.201 -3.423 -1.642) 3.802 3.694 ( 2.963 -3.071 1.737) 4.607 3.809 ( -3.587 -0.766 -0.811) 3.757 3.964 ( 5.029 -0.157 -4.615) 6.828 4.192 ( -0.003 -2.708 -4.654) 5.385 4.305 ( -3.571 0.956 8.868) 9.607 4.617 ( -11.472 -3.966 -5.577) 13.358 4.724 ( 4.602 -2.105 0.460) 5.081 4.759 ( 4.207 -0.326 -3.891) 5.740 5.084 ( 3.493 -2.909 -1.172) 4.694 5.154 ( -1.681 -1.290 -5.912) 6.281 5.400 ( -6.602 -1.197 -9.160) 11.354 5.449 ( 8.187 -7.046 4.811) 11.824 5.598 ( -4.348 2.072 -1.320) 4.994 5.715 ( 3.604 -0.989 4.896) 6.159 5.842 ( -1.830 2.872 8.924) 9.552 5.972 ( -4.266 0.962 2.964) 5.283 6.214 ( 1.577 -1.164 -5.495) 5.834 6.416 ( -0.701 -2.133 2.950) 3.707 6.596 ( 0.829 -3.455 -4.358) 5.623 7.722 ( 1.893 -0.072 2.397) 3.055 7.883 ( -2.594 -2.155 0.439) 3.400 8.109 ( 4.975 -0.389 3.204) 5.930 8.390 ( -0.882 7.114 -6.326) 9.560 8.992 ( -6.778 -1.200 -2.775) 7.422 9.035 ( 1.578 -0.599 -0.325) 1.719 9.167 ( -4.096 0.391 -0.138) 4.116 9.330 ( -1.264 0.561 0.044) 1.383 9.472 ( 2.683 -2.905 2.238) 4.544 9.536 ( 1.414 -5.773 1.530) 6.137 9.657 ( -0.192 3.215 0.037) 3.221 9.890 ( -2.444 1.619 -1.190) 3.164 10.121 ( 6.225 -1.304 2.054) 6.684 10.282 ( -4.624 -3.069 5.552) 7.850 10.423 ( 0.687 -1.020 1.122) 1.665 10.545 ( 3.794 -3.898 -2.321) 5.914 11.092 ( -4.089 -2.170 4.176) 6.235 11.277 ( -4.881 2.459 -2.492) 6.007 11.376 ( -1.913 1.880 -0.891) 2.827 11.501 ( 1.526 1.711 -4.379) 4.943 11.629 ( 3.594 -4.642 8.161) 10.053 11.956 ( 2.716 0.735 4.099) 4.972 12.207 ( 3.013 2.515 -1.029) 4.057 12.338 ( -0.679 -3.898 0.151) 3.960 12.392 ( -1.832 8.031 -2.387) 8.577 12.489 ( 0.566 -3.751 -5.758) 6.895 12.706 ( -0.397 -4.424 0.468) 4.466 12.858 ( -0.710 -8.299 -1.489) 8.461 13.369 ( -4.477 1.837 3.104) 5.749 13.511 ( 1.458 1.554 -5.891) 6.265 13.709 ( 5.716 4.732 6.125) 9.622 13.960 ( 2.506 -6.590 1.500) 7.208 14.176 ( 3.522 3.544 7.063) 8.652 14.591 ( -1.310 1.690 -3.652) 4.232 15.142 ( 0.798 7.004 4.119) 8.164 15.400 ( 0.424 -8.285 -0.537) 8.313 15.432 ( -4.420 7.157 -5.817) 10.227 15.696 ( 0.498 -0.056 -1.703) 1.776 15.947 ( 4.660 4.432 3.568) 7.354 16.129 ( -6.476 7.927 2.570) 10.554 16.374 ( 2.766 -7.755 2.728) 8.674 16.890 ( 0.365 -2.881 -14.317) 14.608 17.075 ( 4.496 3.026 -0.945) 5.501 17.217 ( -3.056 3.344 -1.554) 4.789 17.378 ( 3.568 1.956 2.804) 4.942 17.491 ( -4.137 2.056 1.596) 4.887 19.964 ( -2.541 10.188 -0.395) 10.508 20.100 ( 3.228 5.928 -7.160) 9.840 20.558 ( -2.618 -6.091 3.013) 7.283 20.659 ( 2.814 -10.534 -1.836) 11.057 22.529 ( -1.752 9.409 6.393) 11.509 22.688 ( 2.854 9.786 -2.923) 10.605 22.976 ( -4.102 -7.161 2.572) 8.644 23.136 ( 2.008 -10.351 -4.215) 11.355 27.652 ( 0.460 21.502 2.451) 21.646 28.288 ( -1.921 21.810 -21.699) 30.826 28.519 ( 7.138 -20.709 3.323) 22.156 28.721 ( -6.580 -21.295 3.156) 22.511 30.903 ( 2.306 6.901 4.421) 8.514 31.051 ( 0.132 6.053 -1.636) 6.271 31.149 ( 2.943 6.611 1.375) 7.366 31.281 ( 5.154 -4.791 4.057) 8.123 31.463 ( -1.667 -5.380 -1.474) 5.822 31.607 ( 5.630 -3.288 -0.131) 6.521 31.720 ( -6.323 -1.505 7.156) 9.667 32.179 ( 5.881 9.982 -12.914) 17.349 32.976 ( -0.948 9.672 3.765) 10.422 33.166 ( -0.837 7.766 -2.041) 8.074 33.460 ( -2.593 -2.853 3.560) 5.247 33.687 ( 4.740 -8.615 -4.370) 10.760 35.436 ( -0.965 1.078 2.267) 2.689 35.503 ( 0.320 1.720 -0.206) 1.761 35.781 ( -4.944 3.016 7.783) 9.701 35.942 ( -0.897 0.304 -1.402) 1.691 36.313 ( -4.148 -1.143 0.078) 4.303 36.509 ( 0.620 3.943 -0.442) 4.016 37.630 ( -7.095 -14.199 5.975) 16.960 37.797 ( 7.959 -5.421 -5.866) 11.276 ======================= Grid point 148 (72/114) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 5.220 14.788 15.932) 22.356 1.597 ( -4.504 12.102 15.101) 19.869 2.068 ( 3.195 0.400 -10.596) 11.074 2.243 ( 0.906 1.566 -7.564) 7.777 2.491 ( -0.832 8.022 15.170) 17.180 2.776 ( 2.577 7.801 7.138) 10.883 3.000 ( 7.892 5.066 0.284) 9.383 3.100 ( 2.107 15.845 7.964) 17.859 3.428 ( 2.650 -3.209 -1.211) 4.334 3.527 ( 5.060 -2.453 -5.548) 7.900 3.657 ( -5.098 5.766 -4.297) 8.815 3.737 ( 0.783 -6.213 0.599) 6.290 3.791 ( 3.420 5.971 3.073) 7.536 3.940 ( -0.254 -2.850 -7.761) 8.272 4.208 ( 0.678 -0.872 0.150) 1.115 4.349 ( -2.703 -2.035 7.271) 8.020 4.558 ( -10.677 -4.300 -5.527) 12.768 4.713 ( -0.029 1.665 -6.905) 7.103 4.831 ( 3.831 -3.024 2.267) 5.381 5.088 ( -2.500 3.184 -6.014) 7.249 5.174 ( 0.378 -4.355 -0.604) 4.413 5.255 ( -4.144 1.740 -7.230) 8.513 5.510 ( -2.750 4.897 4.468) 7.176 5.677 ( 4.998 -9.921 -0.480) 11.119 5.799 ( -1.531 5.243 5.928) 8.061 5.881 ( 6.516 -6.568 3.936) 10.054 6.002 ( -5.364 -6.622 4.323) 9.556 6.242 ( 3.018 -2.712 -4.435) 6.010 6.479 ( -0.421 -3.217 3.686) 4.910 6.613 ( -2.617 -1.329 -2.692) 3.983 7.766 ( 5.794 0.557 3.207) 6.645 7.892 ( -6.834 -1.931 -1.878) 7.346 8.137 ( -1.062 0.100 1.217) 1.619 8.276 ( 4.981 1.935 -4.092) 6.730 8.972 ( -4.276 -3.394 -0.343) 5.470 9.075 ( 1.246 -3.735 -1.857) 4.354 9.151 ( -1.247 -0.338 0.723) 1.481 9.287 ( -0.189 2.852 -1.166) 3.087 9.548 ( 1.013 -1.334 4.478) 4.782 9.627 ( -1.856 -4.498 -2.639) 5.535 9.724 ( 0.542 -5.043 3.497) 6.161 9.811 ( 3.886 5.197 -0.888) 6.549 10.151 ( 4.277 3.279 4.149) 6.801 10.276 ( -3.829 4.068 2.041) 5.948 10.478 ( -3.093 -5.414 3.803) 7.304 10.671 ( 2.672 -7.909 -3.292) 8.974 11.150 ( -2.709 -5.777 2.028) 6.695 11.201 ( -6.284 -0.473 -1.202) 6.415 11.326 ( -2.149 1.958 -1.121) 3.116 11.481 ( 3.582 0.006 -4.943) 6.104 11.771 ( 5.605 0.206 7.658) 9.492 11.930 ( -2.015 3.017 2.001) 4.144 12.171 ( 0.767 0.504 3.863) 3.971 12.356 ( 3.227 -4.745 -0.678) 5.778 12.417 ( -0.432 -5.321 0.025) 5.339 12.562 ( 0.435 -5.757 -5.192) 7.764 12.778 ( 1.970 -1.651 1.190) 2.832 12.923 ( -1.130 -1.313 -3.778) 4.156 13.336 ( -5.777 -1.282 2.905) 6.593 13.482 ( 3.222 -0.298 -4.551) 5.584 13.709 ( 5.118 5.072 7.095) 10.112 13.894 ( -4.260 8.299 -0.738) 9.358 14.361 ( 9.192 -8.620 5.889) 13.909 14.541 ( -1.887 -0.049 -3.656) 4.114 15.046 ( 0.320 7.870 4.828) 9.239 15.220 ( -3.505 8.243 -4.117) 9.858 15.461 ( -3.409 1.828 -1.026) 4.002 15.597 ( 5.736 11.041 -2.267) 12.646 15.867 ( 1.164 7.568 2.694) 8.117 16.069 ( -2.525 -1.110 -3.944) 4.813 16.528 ( 0.555 -6.685 1.942) 6.983 16.774 ( 0.145 4.594 -12.454) 13.275 17.022 ( -0.023 3.406 0.680) 3.473 17.128 ( 0.906 4.031 -3.401) 5.352 17.373 ( 3.026 2.942 3.943) 5.775 17.449 ( -3.121 1.414 1.790) 3.865 19.798 ( 0.505 6.714 0.071) 6.734 19.959 ( 1.042 5.708 -7.706) 9.646 20.703 ( -2.182 -9.013 3.594) 9.946 20.843 ( 1.814 -9.122 -2.507) 9.632 22.378 ( -3.253 9.259 4.663) 10.865 22.501 ( 3.515 11.181 -2.426) 11.969 23.090 ( -5.114 -7.418 3.860) 9.801 23.297 ( 2.580 -8.077 -4.515) 9.606 27.315 ( 0.515 18.105 2.727) 18.316 27.688 ( -4.748 27.355 -18.417) 33.317 28.966 ( 8.460 -19.356 4.360) 21.570 29.066 ( -4.791 -20.496 0.541) 21.056 30.827 ( 1.675 5.491 2.945) 6.452 30.927 ( -0.141 5.527 -2.404) 6.029 31.066 ( 0.196 7.693 5.009) 9.182 31.337 ( 0.970 5.703 1.306) 5.930 31.526 ( -3.792 -3.693 -2.397) 5.811 31.620 ( 9.200 -1.949 -2.570) 9.749 31.854 ( 0.562 -6.494 3.944) 7.619 32.046 ( 13.727 5.206 -6.099) 15.897 32.835 ( 2.024 8.864 4.674) 10.223 32.985 ( -0.687 9.898 -0.930) 9.965 33.520 ( -3.553 -3.363 3.949) 6.287 33.826 ( 4.580 -6.229 -6.598) 10.164 35.419 ( -1.232 1.402 2.558) 3.167 35.475 ( 0.882 1.443 -0.398) 1.738 35.725 ( -4.608 3.689 7.564) 9.594 35.930 ( 0.198 -0.204 -1.801) 1.823 36.294 ( -3.688 -0.881 -2.792) 4.709 36.386 ( 2.132 8.552 -4.715) 9.996 37.797 ( -26.770 -16.772 10.650) 33.337 38.083 ( 17.637 -13.112 -4.054) 22.348 ======================= Grid point 151 (73/114) ======================= q-point: ( 0.25 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 6.004 0.000 -15.763) 16.868 2.173 ( 11.567 0.000 -13.955) 18.125 2.203 ( 0.845 0.000 9.220) 9.259 2.324 ( 16.806 0.000 13.318) 21.444 2.591 ( -6.681 -0.000 -4.615) 8.120 2.736 ( -1.210 -0.000 -4.933) 5.079 2.913 ( 2.453 0.000 -10.733) 11.010 2.937 ( 10.100 0.000 3.342) 10.638 3.110 ( 6.065 0.000 -10.586) 12.200 3.122 ( 5.940 0.000 9.410) 11.128 3.529 ( -7.304 -0.000 -4.265) 8.458 3.574 ( -1.493 -0.000 0.997) 1.795 3.840 ( -0.203 -0.000 2.150) 2.160 3.901 ( -8.738 -0.000 0.434) 8.749 4.175 ( -8.775 -0.000 1.248) 8.863 4.392 ( -4.493 -0.000 7.511) 8.752 4.436 ( -6.071 -0.000 -9.404) 11.193 4.787 ( -1.521 -0.000 4.550) 4.797 4.904 ( 6.221 0.000 6.584) 9.058 5.022 ( -1.933 -0.000 2.143) 2.886 5.050 ( -3.774 -0.000 -1.561) 4.084 5.259 ( 2.355 0.000 0.865) 2.509 5.536 ( 2.823 0.000 -2.981) 4.105 5.683 ( -0.064 -0.000 3.388) 3.388 5.882 ( -9.989 -0.000 0.084) 9.989 5.895 ( -3.032 -0.000 -11.062) 11.470 6.173 ( -2.902 -0.000 3.427) 4.491 6.246 ( 2.720 0.000 -2.756) 3.873 6.548 ( -2.342 -0.000 1.818) 2.965 6.596 ( -2.407 -0.000 0.780) 2.530 7.835 ( 5.731 0.000 -0.152) 5.733 8.116 ( 6.312 0.000 5.697) 8.503 8.182 ( -0.750 -0.000 0.285) 0.802 8.292 ( 4.500 0.000 -0.307) 4.511 8.942 ( -12.228 -0.000 -4.586) 13.060 9.004 ( -4.450 -0.000 0.847) 4.529 9.282 ( -2.206 -0.000 -0.685) 2.310 9.359 ( 4.273 0.000 0.488) 4.301 9.467 ( 5.282 0.000 -1.268) 5.432 9.546 ( -5.258 -0.000 -0.944) 5.342 9.841 ( -5.690 -0.000 -3.679) 6.776 9.866 ( 8.642 0.000 1.010) 8.700 10.143 ( 12.345 0.000 3.675) 12.880 10.264 ( 0.843 0.000 0.095) 0.849 10.721 ( 1.153 0.000 7.269) 7.360 10.970 ( 6.220 0.000 -5.322) 8.186 11.106 ( -1.069 -0.000 -0.827) 1.351 11.153 ( -5.796 -0.000 7.461) 9.448 11.417 ( 2.217 0.000 0.083) 2.219 11.684 ( -1.960 -0.000 -3.946) 4.406 11.822 ( 10.392 0.000 4.829) 11.460 11.917 ( 4.266 0.000 5.045) 6.607 12.316 ( -11.898 -0.000 -7.071) 13.840 12.376 ( -7.123 -0.000 -3.466) 7.921 12.490 ( -7.782 -0.000 -3.286) 8.447 12.586 ( 2.894 0.000 -11.373) 11.735 12.811 ( 7.117 0.000 -0.771) 7.158 12.833 ( -1.252 -0.000 3.091) 3.334 13.358 ( -0.854 -0.000 1.769) 1.965 13.524 ( -5.470 -0.000 1.165) 5.592 13.532 ( 4.707 0.000 2.819) 5.486 13.722 ( 1.514 0.000 0.931) 1.777 14.457 ( -15.813 -0.000 -8.147) 17.789 14.473 ( 0.533 0.000 -0.851) 1.004 14.529 ( -3.929 -0.000 -3.297) 5.129 15.013 ( 0.199 0.000 -0.560) 0.594 15.028 ( -8.200 -0.000 2.502) 8.573 15.235 ( 1.010 0.000 -3.080) 3.242 15.699 ( 10.411 0.000 -0.170) 10.412 16.339 ( 10.254 0.000 1.176) 10.322 16.658 ( -5.931 -0.000 -0.698) 5.972 16.711 ( -4.324 -0.000 -1.741) 4.661 16.913 ( -2.201 -0.000 1.282) 2.547 16.996 ( -0.821 -0.000 -0.791) 1.140 17.200 ( -2.088 -0.000 -1.200) 2.408 17.545 ( 2.673 0.000 1.869) 3.262 19.771 ( 5.121 0.000 -2.716) 5.796 20.014 ( 8.346 0.000 5.119) 9.791 20.981 ( 0.122 0.000 2.375) 2.379 20.995 ( 1.205 0.000 -0.967) 1.545 22.011 ( -6.302 -0.000 2.479) 6.773 22.312 ( 1.897 0.000 -2.683) 3.286 23.305 ( -2.155 -0.000 3.017) 3.708 23.445 ( 2.740 0.000 -2.933) 4.013 26.955 ( 0.019 0.000 0.238) 0.239 26.959 ( 0.129 0.000 -0.015) 0.130 29.414 ( 0.002 0.000 -1.667) 1.667 29.626 ( 3.621 0.000 -1.082) 3.780 30.325 ( -11.877 -0.000 -4.446) 12.682 30.706 ( -2.963 -0.000 -0.128) 2.966 30.722 ( -3.059 -0.000 2.762) 4.121 31.184 ( 2.732 0.000 -2.538) 3.728 31.387 ( -0.586 -0.000 3.165) 3.219 31.982 ( 0.702 0.000 -1.594) 1.742 32.145 ( 3.454 0.000 -0.022) 3.455 32.361 ( 8.169 0.000 -7.606) 11.162 32.712 ( 0.191 0.000 -4.536) 4.540 33.195 ( 31.981 0.000 -20.330) 37.895 33.563 ( -6.339 -0.000 8.001) 10.208 33.855 ( 4.719 0.000 -12.371) 13.240 35.353 ( -2.637 -0.000 1.479) 3.023 35.487 ( 1.343 0.000 -1.431) 1.962 35.705 ( -3.741 -0.000 6.730) 7.700 35.859 ( 2.218 0.000 -5.870) 6.276 36.196 ( 0.775 0.000 -0.314) 0.836 36.251 ( 0.433 0.000 9.375) 9.384 37.322 ( -32.507 -0.000 16.906) 36.641 38.893 ( 7.771 0.000 1.396) 7.895 ======================= Grid point 152 (74/114) ======================= q-point: ( 0.38 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 6.895 -7.635 -15.303) 18.440 2.048 ( -3.915 10.193 4.699) 11.887 2.235 ( 7.334 0.463 -6.104) 9.553 2.357 ( 6.961 -6.179 -4.983) 10.558 2.648 ( 4.713 0.423 3.739) 6.031 2.760 ( -3.418 -2.917 -9.041) 10.097 2.889 ( 9.545 -4.033 -8.309) 13.282 3.085 ( 5.907 2.209 -5.607) 8.439 3.154 ( -3.177 -9.738 -2.869) 10.637 3.329 ( 6.929 -7.500 1.758) 10.361 3.502 ( -0.644 -2.669 4.520) 5.289 3.580 ( -2.371 -2.866 2.446) 4.452 3.770 ( -4.074 3.634 -1.542) 5.673 3.871 ( -1.927 -0.877 -0.569) 2.193 4.169 ( -2.689 -0.745 9.806) 10.195 4.358 ( -6.821 -1.177 -4.308) 8.153 4.411 ( -4.840 -2.280 5.429) 7.622 4.755 ( 0.054 2.988 0.320) 3.005 4.892 ( 3.339 4.293 3.019) 6.220 5.006 ( -4.135 0.366 2.972) 5.105 5.077 ( -4.202 -3.635 -3.563) 6.600 5.303 ( 6.805 2.920 9.067) 11.707 5.565 ( 1.305 -1.993 -2.794) 3.672 5.660 ( -3.264 -0.432 -1.169) 3.494 5.795 ( -3.310 2.252 -9.565) 10.369 5.875 ( -5.688 -6.980 -2.902) 9.461 6.131 ( -3.045 2.173 1.715) 4.115 6.195 ( 2.548 6.540 -2.528) 7.460 6.509 ( -2.826 2.289 -0.874) 3.740 6.535 ( -2.903 4.777 1.349) 5.750 7.843 ( 4.607 2.887 -0.415) 5.452 8.094 ( -4.221 6.637 -1.515) 8.011 8.166 ( 1.553 3.671 4.397) 5.935 8.381 ( 10.740 -4.135 3.338) 11.983 8.848 ( -6.141 -1.646 1.150) 6.461 9.020 ( -3.444 -1.901 1.076) 4.078 9.212 ( -4.768 2.822 0.253) 5.546 9.382 ( 2.393 -0.056 -1.591) 2.874 9.480 ( 5.391 -0.156 -3.179) 6.261 9.549 ( -6.119 -2.463 -2.775) 7.156 9.771 ( -1.665 2.634 -1.140) 3.318 9.926 ( 6.200 -1.012 -2.555) 6.782 10.221 ( 6.003 2.010 1.805) 6.583 10.286 ( 2.536 0.520 -0.271) 2.603 10.669 ( -5.308 6.662 3.192) 9.096 10.924 ( 3.887 5.389 -6.384) 9.214 11.110 ( -1.728 0.465 4.764) 5.089 11.186 ( -2.521 -4.220 3.561) 6.070 11.425 ( 0.740 -0.381 -1.000) 1.302 11.662 ( -3.399 -2.188 -4.616) 6.136 11.820 ( 12.735 9.048 2.204) 15.777 12.009 ( -3.050 -0.105 -1.242) 3.295 12.131 ( -5.095 0.518 -4.672) 6.932 12.297 ( 1.339 6.510 -2.612) 7.141 12.438 ( -4.660 -1.536 -2.921) 5.710 12.567 ( -2.144 -2.802 -0.916) 3.644 12.739 ( 5.973 11.339 0.463) 12.824 12.835 ( -0.825 0.378 4.063) 4.163 13.325 ( -0.617 2.232 2.308) 3.269 13.499 ( -3.355 -1.370 1.700) 4.003 13.636 ( 1.337 1.861 -1.831) 2.933 13.818 ( 3.696 -12.372 2.787) 13.210 14.214 ( -8.360 4.877 -6.589) 11.709 14.571 ( 1.180 -6.669 -0.844) 6.825 14.750 ( -3.281 -18.954 -0.606) 19.246 15.031 ( -2.733 -8.706 3.500) 9.773 15.103 ( -4.922 -6.508 -0.730) 8.192 15.242 ( 1.425 -3.602 -0.774) 3.950 15.855 ( 10.984 -7.021 -0.991) 13.074 16.369 ( 4.110 2.924 -0.808) 5.108 16.528 ( -6.372 6.345 -0.963) 9.044 16.611 ( -3.833 6.345 0.558) 7.434 16.914 ( -0.566 -2.567 -0.388) 2.657 17.053 ( 0.086 -5.089 0.469) 5.111 17.252 ( -0.233 -6.005 -0.693) 6.049 17.562 ( 0.227 0.121 0.199) 0.325 19.847 ( 6.104 -4.650 -1.199) 7.767 20.063 ( 5.410 2.915 3.552) 7.098 20.895 ( -1.086 8.502 2.542) 8.940 20.970 ( 1.901 5.060 -1.622) 5.644 22.059 ( -5.744 -8.537 2.851) 10.677 22.373 ( 1.287 -6.921 -3.862) 8.030 23.238 ( -3.240 6.689 3.526) 8.226 23.413 ( 2.378 3.778 -3.310) 5.557 27.072 ( 0.509 -11.880 -0.617) 11.907 27.102 ( -1.065 -15.407 2.573) 15.657 29.227 ( 1.201 17.466 -0.084) 17.507 29.566 ( 2.803 8.474 -4.015) 9.787 30.393 ( -3.521 -14.689 -2.856) 15.372 30.720 ( -2.294 -3.271 1.839) 4.398 30.743 ( -2.842 -3.014 3.354) 5.330 31.238 ( 2.624 -3.607 -0.179) 4.465 31.437 ( -0.100 -3.605 4.472) 5.745 31.892 ( -0.099 8.092 -1.664) 8.262 32.034 ( 2.604 11.648 -2.839) 12.269 32.453 ( 4.254 -7.127 -8.454) 11.848 32.792 ( 2.152 -9.713 -4.534) 10.933 33.266 ( 25.475 3.206 -22.008) 33.818 33.534 ( -6.333 2.783 7.592) 10.270 33.794 ( 3.636 2.914 -11.084) 12.024 35.361 ( -1.743 -1.752 1.807) 3.061 35.486 ( 0.902 0.084 -1.299) 1.584 35.725 ( -4.729 -1.830 5.982) 7.842 35.887 ( 2.611 -3.907 -5.211) 7.017 36.218 ( 1.682 -0.720 2.252) 2.902 36.330 ( 1.445 -2.241 8.136) 8.562 37.166 ( -25.837 2.953 19.979) 32.794 38.808 ( 2.929 12.898 -3.902) 13.790 ======================= Grid point 153 (75/114) ======================= q-point: ( 0.50 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 3.651 -7.652 -6.419) 10.634 2.020 ( 4.538 -2.146 7.488) 9.014 2.320 ( 1.146 -5.144 0.648) 5.310 2.482 ( 7.463 0.016 -5.446) 9.238 2.677 ( -1.024 -8.093 -3.685) 8.952 2.764 ( 2.510 0.843 -7.050) 7.531 2.882 ( 1.869 2.353 -8.227) 8.758 3.136 ( -0.552 -9.764 -10.972) 14.698 3.217 ( 2.487 -2.698 2.186) 4.271 3.438 ( 3.393 -4.578 -8.979) 10.635 3.569 ( -2.066 -2.005 5.318) 6.047 3.607 ( -3.598 -2.277 -5.858) 7.241 3.751 ( 1.444 0.135 -0.113) 1.455 3.895 ( 0.151 0.704 3.879) 3.945 4.192 ( -3.485 -0.697 -0.003) 3.554 4.319 ( -5.294 0.701 5.968) 8.008 4.468 ( -2.182 -2.185 9.472) 9.963 4.711 ( 2.567 2.256 -1.936) 3.928 4.887 ( 2.835 1.959 3.115) 4.645 5.010 ( -0.048 -1.548 1.021) 1.855 5.062 ( -6.663 -2.385 -0.148) 7.078 5.331 ( 5.023 3.660 7.840) 10.005 5.522 ( -3.667 3.441 -4.088) 6.480 5.665 ( -2.420 4.207 -3.979) 6.276 5.724 ( 1.300 -7.051 -2.450) 7.576 5.955 ( -2.470 -4.964 -0.903) 5.618 6.031 ( 0.738 10.153 1.360) 10.270 6.153 ( 0.347 -5.706 -3.478) 6.691 6.399 ( -3.688 6.455 2.667) 7.898 6.453 ( -2.575 1.020 -4.056) 4.912 7.829 ( 4.023 3.006 1.953) 5.389 7.913 ( -3.677 6.157 -1.698) 7.370 8.129 ( 3.042 4.627 4.704) 7.265 8.541 ( 5.874 -3.217 0.021) 6.698 8.888 ( -3.820 -4.210 1.243) 5.819 9.014 ( 1.778 2.261 4.067) 4.981 9.188 ( -5.875 -4.284 -0.047) 7.271 9.392 ( 1.199 -0.634 -1.023) 1.699 9.477 ( -4.892 1.250 -3.592) 6.197 9.511 ( 2.753 0.047 -2.278) 3.573 9.722 ( 2.136 2.270 0.871) 3.236 9.955 ( 2.683 0.461 -6.062) 6.645 10.199 ( -3.211 2.105 0.678) 3.899 10.203 ( 2.241 9.114 -1.503) 9.505 10.542 ( -4.181 3.292 1.629) 5.565 10.778 ( 2.154 8.584 -7.058) 11.319 11.098 ( -3.488 1.284 4.983) 6.217 11.287 ( -0.543 -5.686 2.888) 6.401 11.450 ( 1.687 -2.242 -1.765) 3.315 11.638 ( -2.819 -0.249 -4.837) 5.605 11.738 ( 10.170 10.056 -3.168) 14.649 11.856 ( -6.990 3.127 -8.775) 11.647 12.165 ( 0.400 4.434 -0.041) 4.452 12.230 ( 2.046 -7.695 3.385) 8.652 12.465 ( -1.742 -0.981 3.105) 3.693 12.549 ( 0.550 4.208 -2.008) 4.695 12.606 ( 0.758 5.972 3.462) 6.944 12.867 ( 0.417 -1.046 1.990) 2.287 13.351 ( 1.689 -3.483 4.292) 5.780 13.494 ( -4.004 2.077 0.627) 4.554 13.580 ( 1.692 0.944 0.674) 2.052 13.981 ( -10.920 -2.363 -11.772) 16.230 14.167 ( 13.083 -4.454 7.106) 15.541 14.645 ( 2.156 -0.134 -1.548) 2.658 14.969 ( -3.113 -7.090 1.291) 7.850 15.181 ( -4.518 -9.474 3.447) 11.047 15.290 ( -2.664 -13.543 1.605) 13.896 15.396 ( 1.029 -10.252 0.927) 10.345 16.041 ( 9.577 -4.698 -1.368) 10.755 16.282 ( -5.655 4.273 -4.931) 8.634 16.422 ( 2.234 3.871 1.425) 4.691 16.506 ( -5.173 -0.875 2.404) 5.771 16.985 ( 1.910 -4.140 0.343) 4.572 17.146 ( -0.504 -4.671 0.476) 4.722 17.360 ( 1.510 -5.005 0.053) 5.228 17.549 ( -1.585 0.390 -0.730) 1.788 20.003 ( 5.961 -7.742 -0.965) 9.818 20.064 ( 2.968 1.256 1.810) 3.696 20.714 ( -2.222 11.565 2.776) 12.099 20.839 ( 1.787 8.967 -3.139) 9.667 22.236 ( -4.925 -13.203 3.113) 14.431 22.513 ( 1.701 -9.962 -4.971) 11.262 23.083 ( -4.398 9.121 4.478) 11.072 23.312 ( 1.844 7.054 -3.803) 8.223 27.360 ( 2.681 -18.708 -0.166) 18.900 27.461 ( -4.440 -23.044 4.928) 23.980 28.886 ( 1.989 21.909 1.737) 22.067 29.341 ( 1.723 14.461 -7.669) 16.459 30.668 ( 2.798 -14.284 1.288) 14.612 30.806 ( -0.850 -6.197 3.353) 7.097 30.831 ( -2.256 -7.490 3.417) 8.537 31.324 ( 3.056 -2.997 1.274) 4.466 31.547 ( -1.536 -5.039 5.905) 7.913 31.715 ( -1.052 9.479 -1.690) 9.686 31.796 ( 1.368 13.224 -4.388) 14.000 32.526 ( 4.523 -3.524 -15.405) 16.438 32.984 ( 4.214 -10.575 -4.306) 12.171 33.258 ( 12.454 1.304 -14.576) 19.216 33.455 ( -4.713 5.217 6.476) 9.559 33.691 ( 1.759 4.980 -7.268) 8.984 35.401 ( -0.689 -2.172 2.070) 3.079 35.492 ( 0.285 -1.052 -0.746) 1.321 35.760 ( -5.771 -2.794 5.789) 8.638 35.947 ( 2.020 -2.678 -3.173) 4.617 36.262 ( 0.309 -0.659 5.457) 5.505 36.437 ( 2.301 -4.243 2.611) 5.488 37.080 ( -15.267 0.386 20.089) 25.235 38.482 ( 1.224 19.094 -10.629) 21.887 ======================= Grid point 154 (76/114) ======================= q-point: (-0.38 -0.75 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 9.187 -0.275 0.209) 9.193 2.236 ( 1.705 -2.678 6.407) 7.150 2.345 ( 6.291 4.289 1.535) 7.767 2.479 ( -7.191 -8.804 2.482) 11.636 2.662 ( -1.950 5.082 1.514) 5.650 2.822 ( 10.315 -6.087 -4.493) 12.792 2.944 ( 3.389 -7.415 -4.611) 9.366 3.163 ( 2.840 0.251 -2.670) 3.906 3.363 ( 0.794 -6.977 -3.371) 7.789 3.490 ( -7.717 -6.379 -8.220) 12.954 3.539 ( 0.860 2.444 -9.401) 9.752 3.618 ( -5.455 -3.533 -9.274) 11.324 3.699 ( -1.286 0.371 -4.110) 4.322 3.856 ( 1.234 3.302 9.708) 10.328 4.176 ( -0.458 -0.712 -5.612) 5.676 4.315 ( -6.541 -2.139 4.039) 7.979 4.533 ( -1.564 1.067 11.184) 11.343 4.709 ( 4.392 -0.582 -1.670) 4.734 4.850 ( 2.568 5.365 0.989) 6.029 5.035 ( 1.904 0.642 0.907) 2.204 5.092 ( -1.291 -3.281 -0.886) 3.636 5.360 ( 3.347 3.160 9.033) 10.138 5.388 ( -4.183 1.431 -9.363) 10.354 5.613 ( -0.062 0.449 3.879) 3.906 5.798 ( 1.220 -0.279 -4.875) 5.033 5.896 ( -4.971 2.342 5.470) 7.753 6.015 ( 3.130 -0.108 3.052) 4.373 6.227 ( -1.379 -0.201 -2.315) 2.703 6.322 ( -3.742 -2.292 0.353) 4.402 6.424 ( -0.575 -3.033 -4.599) 5.539 7.776 ( 2.058 4.469 2.350) 5.453 7.874 ( 0.668 0.086 2.388) 2.481 8.129 ( 6.067 1.820 4.306) 7.659 8.562 ( -1.335 0.977 -4.686) 4.970 8.915 ( -4.280 -2.537 -1.644) 5.240 9.028 ( 2.665 1.267 4.450) 5.340 9.211 ( -3.784 -1.324 -1.612) 4.321 9.395 ( -0.995 1.008 1.593) 2.132 9.415 ( -2.827 -0.151 -2.789) 3.974 9.485 ( 1.627 2.952 -2.007) 3.923 9.777 ( 2.461 -2.836 -0.466) 3.783 9.874 ( 0.119 3.103 0.212) 3.112 10.029 ( -1.027 5.480 -4.111) 6.927 10.201 ( -0.638 -2.673 1.191) 2.995 10.459 ( -3.326 4.943 0.541) 5.982 10.634 ( 3.514 4.779 -4.869) 7.674 11.081 ( -3.612 0.832 5.653) 6.760 11.397 ( 0.242 -3.283 4.342) 5.449 11.471 ( 0.398 1.071 -1.674) 2.026 11.535 ( 3.309 6.286 -5.941) 9.260 11.616 ( -1.632 4.964 -4.098) 6.641 11.798 ( -2.321 -6.208 -5.377) 8.535 12.166 ( 3.680 -1.344 2.207) 4.496 12.399 ( -3.897 -4.902 -0.770) 6.310 12.449 ( 3.578 4.430 3.906) 6.905 12.475 ( 1.197 -0.349 1.584) 2.016 12.570 ( -2.006 -1.693 0.138) 2.629 12.822 ( -2.019 6.808 -3.188) 7.784 13.428 ( -0.708 0.624 2.479) 2.653 13.473 ( 0.517 -2.309 2.465) 3.416 13.654 ( 4.199 -6.313 2.073) 7.860 13.855 ( -4.628 1.629 -5.506) 7.375 14.356 ( 10.604 0.833 3.143) 11.092 14.620 ( -1.897 1.235 1.343) 2.632 15.077 ( -0.872 -7.720 0.759) 7.806 15.311 ( -3.636 -4.811 3.190) 6.822 15.407 ( -0.658 -2.799 -0.843) 2.996 15.559 ( -0.568 -5.195 -0.699) 5.273 16.118 ( -5.104 -0.627 -0.567) 5.173 16.198 ( 6.202 -0.086 0.336) 6.212 16.374 ( 2.400 4.453 2.856) 5.809 16.593 ( -3.466 -9.665 -4.081) 11.049 17.073 ( 3.702 -2.457 1.241) 4.613 17.210 ( -2.029 -3.341 -0.193) 3.914 17.431 ( 2.295 -0.607 1.003) 2.577 17.526 ( -2.596 -0.121 -0.321) 2.618 20.100 ( 1.930 -2.515 1.188) 3.385 20.176 ( 3.816 -6.192 -2.249) 7.613 20.509 ( -1.666 9.470 2.711) 9.990 20.663 ( 0.860 9.288 -3.889) 10.106 22.462 ( -4.349 -13.547 2.931) 14.527 22.688 ( 2.974 -10.169 -4.960) 11.699 22.921 ( -4.206 7.559 5.248) 10.118 23.156 ( 1.604 9.254 -3.768) 10.120 27.757 ( 5.877 -21.201 1.609) 22.060 27.862 ( -6.558 -23.142 3.532) 24.312 28.512 ( 1.999 22.982 3.527) 23.337 29.000 ( -1.459 17.727 -12.022) 21.469 30.881 ( 0.157 -7.280 4.992) 8.829 30.968 ( 2.766 -8.306 4.395) 9.796 31.018 ( 0.576 -9.374 1.858) 9.574 31.409 ( 3.952 -1.026 2.664) 4.875 31.514 ( 3.422 8.902 -3.036) 10.008 31.567 ( 1.775 9.495 -0.599) 9.678 31.656 ( -7.073 -4.021 4.424) 9.261 32.453 ( 4.512 3.286 -22.463) 23.146 33.150 ( 4.943 -5.476 -2.637) 7.835 33.248 ( -3.444 0.461 -2.917) 4.537 33.408 ( 2.544 -1.146 2.446) 3.711 33.567 ( 0.064 6.211 -3.303) 7.034 35.439 ( -0.557 -1.100 2.212) 2.533 35.514 ( 0.197 -1.236 -0.383) 1.308 35.794 ( -6.190 -2.224 5.959) 8.876 35.966 ( 0.928 0.182 -1.649) 1.901 36.299 ( -2.228 -0.168 7.033) 7.380 36.514 ( -1.505 -2.015 2.915) 3.850 37.176 ( -1.279 -8.023 12.057) 14.539 38.087 ( 0.838 17.148 -13.453) 21.811 ======================= Grid point 155 (77/114) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 6.979 10.089 7.769) 14.520 2.137 ( 3.540 10.220 1.959) 10.992 2.353 ( 6.057 6.401 1.451) 8.931 2.379 ( -4.403 6.473 -3.302) 8.497 2.834 ( 0.881 -1.850 4.406) 4.860 2.882 ( -4.139 9.913 -3.389) 11.265 3.045 ( 9.975 -11.587 2.720) 15.529 3.239 ( -1.941 -8.970 -0.306) 9.183 3.346 ( 6.413 3.183 -3.981) 8.192 3.434 ( -2.522 0.153 5.384) 5.948 3.576 ( -3.755 -4.884 -5.307) 8.131 3.587 ( -3.716 -7.799 -6.131) 10.593 3.697 ( -0.770 -2.347 -3.023) 3.904 3.942 ( 3.765 -4.056 -4.030) 6.846 4.168 ( 3.096 -0.662 -2.341) 3.937 4.319 ( -9.885 -3.108 1.119) 10.422 4.517 ( -2.518 3.984 6.130) 7.733 4.710 ( -0.381 1.452 -5.279) 5.488 4.819 ( 4.216 0.883 3.060) 5.284 5.045 ( 0.314 -2.580 -2.480) 3.592 5.124 ( 3.230 -0.020 -1.180) 3.439 5.278 ( -4.191 0.407 -8.874) 9.822 5.418 ( 2.745 -0.712 7.369) 7.896 5.643 ( -1.126 2.332 1.892) 3.208 5.747 ( 0.548 0.536 0.783) 1.096 5.900 ( -3.635 -1.052 7.751) 8.626 6.016 ( 0.819 3.621 1.203) 3.902 6.180 ( 1.530 0.983 -3.699) 4.122 6.360 ( -3.919 -3.976 1.453) 5.769 6.488 ( -0.287 -5.273 -3.824) 6.520 7.770 ( 4.828 1.471 3.889) 6.371 7.882 ( 0.104 0.610 1.210) 1.359 8.180 ( 5.233 1.325 3.994) 6.716 8.450 ( -5.220 4.016 -7.481) 9.967 8.906 ( -1.361 -0.057 -0.269) 1.388 9.049 ( 0.500 0.503 1.496) 1.656 9.161 ( -3.573 1.444 -1.176) 4.029 9.328 ( -2.100 2.552 -4.551) 5.625 9.416 ( 1.404 -3.188 -1.676) 3.865 9.485 ( 0.890 -1.464 -0.796) 1.889 9.765 ( 1.538 2.834 3.736) 4.935 9.825 ( -6.134 -0.014 1.466) 6.307 10.122 ( 9.485 -7.820 1.699) 12.410 10.272 ( -0.726 -4.104 1.319) 4.371 10.350 ( -3.317 2.993 0.523) 4.498 10.580 ( 1.953 2.270 -3.733) 4.786 11.073 ( -4.033 0.429 5.558) 6.881 11.321 ( -1.215 6.736 -3.188) 7.551 11.410 ( -1.941 3.475 0.664) 4.035 11.508 ( -0.910 1.280 -4.818) 5.068 11.613 ( 5.766 -5.359 6.098) 9.957 11.898 ( -1.097 -7.378 -3.957) 8.444 12.258 ( 2.415 -3.638 1.287) 4.552 12.334 ( 0.371 5.710 2.630) 6.297 12.402 ( 2.375 1.579 -3.416) 4.450 12.580 ( -6.024 7.386 -3.907) 10.301 12.597 ( -0.100 -2.496 1.133) 2.743 12.672 ( -0.008 -8.750 -0.575) 8.768 13.402 ( -4.148 2.747 2.812) 5.715 13.510 ( 2.784 -0.403 -2.330) 3.653 13.797 ( 0.484 -2.293 1.023) 2.557 13.878 ( 5.827 -7.356 2.139) 9.624 14.328 ( 2.367 7.904 5.797) 10.084 14.590 ( -0.899 1.623 -3.786) 4.216 15.217 ( -1.955 -4.152 3.799) 5.957 15.327 ( 3.775 0.657 2.908) 4.811 15.467 ( -0.720 -1.760 -3.581) 4.054 15.539 ( -6.543 -2.987 -3.741) 8.107 16.115 ( 2.232 1.369 3.970) 4.756 16.224 ( -3.249 4.700 -0.145) 5.716 16.342 ( 5.713 0.500 5.482) 7.933 16.698 ( -2.373 -8.187 -10.412) 13.456 17.139 ( 5.043 -0.072 0.667) 5.087 17.214 ( -3.604 0.143 -1.303) 3.835 17.447 ( 2.847 1.241 2.216) 3.816 17.494 ( -3.750 1.230 0.128) 3.949 20.127 ( -0.952 8.286 -0.867) 8.385 20.167 ( 2.786 0.870 -2.120) 3.608 20.504 ( -0.644 -1.823 -0.624) 2.031 20.519 ( 1.908 -1.538 -0.963) 2.633 22.648 ( -3.044 -5.794 3.461) 7.404 22.737 ( -2.203 3.817 2.242) 4.945 22.937 ( 2.224 -9.893 -2.559) 10.458 22.984 ( 0.858 8.030 -2.334) 8.406 28.053 ( 0.690 14.101 3.333) 14.506 28.208 ( 6.955 -18.626 1.858) 19.968 28.303 ( -5.028 -13.975 2.879) 15.128 28.563 ( -3.449 18.706 -14.446) 23.885 31.014 ( 0.235 -1.948 6.079) 6.388 31.074 ( -2.169 0.743 2.380) 3.305 31.191 ( 3.187 -9.651 0.807) 10.196 31.282 ( 1.109 8.307 -1.669) 8.545 31.462 ( 1.294 3.738 1.691) 4.302 31.596 ( 5.857 -2.931 -0.619) 6.579 31.686 ( -2.675 -3.165 6.063) 7.343 32.270 ( 4.465 5.731 -20.437) 21.690 33.133 ( -2.817 6.377 2.822) 7.521 33.238 ( 3.429 0.413 -2.503) 4.266 33.447 ( -4.003 2.663 1.214) 4.959 33.543 ( 4.083 -7.821 -2.160) 9.083 35.455 ( -0.893 0.138 2.560) 2.714 35.523 ( 0.258 0.300 -0.492) 0.631 35.805 ( -6.146 -0.295 6.398) 8.877 35.948 ( 0.833 1.255 -1.281) 1.977 36.303 ( -3.642 1.400 6.090) 7.233 36.535 ( -2.896 -0.464 3.288) 4.406 37.422 ( 2.119 -10.605 3.989) 11.527 37.795 ( 2.286 6.153 -10.266) 12.185 ======================= Grid point 156 (78/114) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 3.199 11.998 10.624) 16.342 1.931 ( 3.946 17.199 3.091) 17.914 2.189 ( 8.637 11.501 -4.997) 15.227 2.275 ( 2.793 4.995 -6.839) 8.918 2.666 ( 0.245 7.579 8.273) 11.222 2.831 ( -5.197 -3.219 -3.834) 7.216 3.174 ( 5.255 7.572 5.119) 10.543 3.334 ( -3.363 -2.765 -0.805) 4.428 3.440 ( 1.232 -1.502 -1.728) 2.600 3.501 ( 12.053 0.552 9.270) 15.216 3.582 ( -3.328 -6.359 -2.636) 7.646 3.657 ( -5.967 -2.128 -5.587) 8.447 3.771 ( 2.024 -5.948 0.162) 6.286 3.933 ( 2.019 2.894 -9.432) 10.071 4.225 ( 6.765 -0.302 4.244) 7.992 4.292 ( -12.110 -5.241 -2.301) 13.394 4.461 ( -1.587 2.959 7.851) 8.539 4.688 ( 1.157 -0.791 -5.355) 5.535 4.842 ( -2.012 -0.219 3.619) 4.147 5.075 ( -0.336 -1.505 -7.889) 8.038 5.147 ( 3.350 -0.057 1.712) 3.762 5.186 ( -4.747 0.569 -7.310) 8.735 5.479 ( -6.437 0.610 0.209) 6.469 5.576 ( 3.751 -6.246 0.498) 7.303 5.831 ( -1.030 -1.663 5.479) 5.818 5.908 ( -5.453 1.930 5.350) 7.879 5.981 ( 6.987 0.334 2.208) 7.335 6.181 ( 3.882 -1.138 -5.469) 6.803 6.417 ( -4.854 -4.255 3.507) 7.346 6.539 ( -1.345 -2.993 -2.130) 3.912 7.812 ( 1.026 -0.017 2.060) 2.301 7.880 ( 5.186 1.055 0.104) 5.293 8.160 ( -3.315 2.971 1.791) 4.798 8.322 ( -0.006 2.726 -5.735) 6.350 8.907 ( 0.066 -0.114 2.379) 2.382 9.013 ( -1.891 -0.218 -4.577) 4.957 9.157 ( 1.025 -1.262 2.929) 3.350 9.281 ( 0.483 -0.284 -4.388) 4.424 9.503 ( 0.216 -4.699 -0.189) 4.708 9.519 ( -1.438 -3.645 -1.497) 4.194 9.770 ( 5.073 2.344 7.446) 9.309 9.838 ( -1.666 -2.480 -1.326) 3.268 10.265 ( 4.205 2.647 7.527) 9.019 10.312 ( -1.713 -0.105 0.662) 1.840 10.361 ( -4.014 -5.995 -0.898) 7.270 10.564 ( 2.638 -4.148 -4.181) 6.454 11.075 ( -3.746 -1.497 3.662) 5.448 11.203 ( -0.057 3.752 -0.664) 3.811 11.355 ( -0.768 2.556 1.233) 2.940 11.475 ( 1.760 -0.409 -4.242) 4.611 11.808 ( 5.629 -5.628 8.151) 11.393 11.953 ( -2.306 -1.332 -3.200) 4.163 12.255 ( 1.760 5.426 1.822) 5.988 12.323 ( -1.180 -2.187 0.039) 2.486 12.338 ( -1.673 3.925 -3.208) 5.338 12.436 ( 0.733 -4.093 -4.744) 6.308 12.730 ( -0.445 -6.738 2.225) 7.109 12.806 ( -1.073 -6.317 -1.340) 6.546 13.329 ( -4.156 2.254 2.237) 5.230 13.494 ( 3.319 1.952 -3.593) 5.267 13.859 ( 2.237 0.094 6.146) 6.541 13.967 ( -3.112 3.392 -1.901) 4.981 14.317 ( 3.909 -4.200 5.936) 8.255 14.509 ( -0.635 2.513 -6.779) 7.257 15.188 ( -0.942 5.421 4.745) 7.265 15.297 ( -3.748 5.810 -3.208) 7.622 15.478 ( 4.021 -1.036 4.606) 6.202 15.615 ( -3.457 -7.004 -5.743) 9.694 16.015 ( -7.207 9.884 0.625) 12.248 16.127 ( 8.636 5.095 2.803) 10.411 16.454 ( 1.734 -3.841 4.851) 6.426 16.703 ( -3.864 -2.167 -12.208) 12.987 17.100 ( -1.869 4.758 0.233) 5.117 17.190 ( 4.019 2.423 -2.866) 5.499 17.418 ( -4.678 1.457 1.716) 5.192 17.482 ( 3.112 0.923 1.972) 3.798 19.944 ( 0.311 9.012 0.191) 9.020 20.080 ( 4.422 8.736 -6.679) 11.853 20.546 ( -3.273 -7.852 3.124) 9.062 20.682 ( 2.860 -9.138 -2.066) 9.796 22.555 ( -3.160 10.117 4.402) 11.477 22.689 ( 1.226 7.280 -2.143) 7.687 22.945 ( -3.634 -5.685 3.284) 7.504 23.131 ( 3.300 -10.207 -3.776) 11.372 27.715 ( 1.600 22.527 5.689) 23.290 27.991 ( -6.672 22.751 -14.918) 28.012 28.629 ( -6.836 -22.265 -0.572) 23.298 28.720 ( 12.446 -19.779 3.368) 23.611 30.948 ( -1.892 6.860 2.431) 7.520 31.021 ( -2.010 6.152 -1.091) 6.563 31.190 ( -2.962 2.827 4.794) 6.304 31.369 ( 0.274 -2.774 -2.217) 3.561 31.452 ( -0.445 0.191 2.112) 2.167 31.582 ( 0.766 -2.767 -0.874) 3.001 31.801 ( 0.157 -2.991 -0.778) 3.095 32.188 ( 18.951 0.725 -11.329) 22.091 33.015 ( 0.180 7.282 3.410) 8.043 33.150 ( 2.999 8.915 -2.865) 9.832 33.448 ( -5.103 -3.519 4.740) 7.803 33.695 ( 3.047 -7.787 -5.059) 9.773 35.448 ( -1.540 1.256 2.506) 3.199 35.506 ( 0.685 1.408 -0.536) 1.655 35.783 ( -5.501 1.911 7.378) 9.400 35.930 ( 1.055 0.742 -0.876) 1.559 36.272 ( -3.145 1.663 2.880) 4.578 36.498 ( -0.216 4.500 -1.929) 4.901 37.483 ( -16.773 -4.193 4.427) 17.847 37.933 ( 14.527 -14.315 -4.226) 20.828 ======================= Grid point 160 (79/114) ======================= q-point: ( 0.38 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 10.143 0.000 -17.782) 20.472 2.032 ( -13.066 -0.000 -12.695) 18.217 2.208 ( -13.626 -0.000 2.553) 13.863 2.273 ( 9.436 0.000 -24.957) 26.681 2.692 ( 2.497 0.000 -2.010) 3.206 2.842 ( 9.256 0.000 -13.883) 16.686 2.905 ( 12.904 0.000 19.155) 23.096 2.971 ( -3.201 -0.000 0.615) 3.260 3.163 ( 8.105 0.000 -0.388) 8.114 3.353 ( 8.515 0.000 0.184) 8.517 3.472 ( 2.049 0.000 3.144) 3.753 3.577 ( -1.307 -0.000 2.901) 3.182 3.780 ( -7.084 -0.000 1.557) 7.253 3.821 ( -1.152 -0.000 -0.160) 1.163 4.244 ( -3.992 -0.000 -7.737) 8.706 4.246 ( 1.507 0.000 13.976) 14.057 4.395 ( -5.225 -0.000 10.667) 11.878 4.790 ( 0.310 0.000 1.368) 1.403 4.954 ( -1.021 -0.000 -1.513) 1.825 4.989 ( 0.492 0.000 -5.477) 5.500 4.996 ( -4.191 -0.000 3.789) 5.649 5.416 ( -0.341 -0.000 2.665) 2.687 5.545 ( 3.736 0.000 3.301) 4.985 5.602 ( -7.844 -0.000 -6.457) 10.160 5.710 ( -6.301 -0.000 -3.908) 7.414 5.743 ( -0.451 -0.000 -9.221) 9.232 6.136 ( -3.082 -0.000 0.049) 3.082 6.262 ( 3.579 0.000 -2.475) 4.352 6.496 ( -5.312 -0.000 -1.378) 5.488 6.579 ( -1.009 -0.000 0.810) 1.294 7.899 ( 1.318 0.000 -0.205) 1.334 8.112 ( -6.629 -0.000 -3.131) 7.332 8.251 ( 4.014 0.000 5.261) 6.618 8.418 ( 7.084 0.000 3.861) 8.068 8.823 ( -0.891 -0.000 4.685) 4.769 8.956 ( -3.876 -0.000 1.173) 4.050 9.251 ( -0.906 -0.000 -0.856) 1.246 9.375 ( 1.779 0.000 -5.679) 5.951 9.453 ( -3.576 -0.000 -2.115) 4.155 9.485 ( 1.160 0.000 -6.127) 6.236 9.770 ( -2.210 -0.000 0.654) 2.305 9.926 ( 2.755 0.000 -5.080) 5.779 10.294 ( 0.962 0.000 2.306) 2.499 10.348 ( 10.267 0.000 3.186) 10.750 10.679 ( -12.852 -0.000 -1.211) 12.909 10.958 ( 2.517 0.000 -6.987) 7.427 11.109 ( 1.468 0.000 -1.002) 1.777 11.131 ( -7.915 -0.000 5.298) 9.525 11.411 ( -1.982 -0.000 -1.155) 2.294 11.601 ( -1.465 -0.000 -4.745) 4.966 11.920 ( -7.488 -0.000 -8.067) 11.007 12.055 ( 9.097 0.000 8.256) 12.285 12.138 ( 6.686 0.000 4.337) 7.969 12.261 ( -2.868 -0.000 -5.902) 6.562 12.457 ( -0.822 -0.000 -9.384) 9.420 12.547 ( 5.608 0.000 9.329) 10.885 12.857 ( -0.357 -0.000 2.900) 2.922 12.939 ( 4.986 0.000 1.573) 5.228 13.359 ( -0.698 -0.000 -0.780) 1.046 13.486 ( -2.103 -0.000 3.532) 4.111 13.583 ( -1.336 -0.000 -1.770) 2.218 13.723 ( -3.214 -0.000 -3.616) 4.838 14.217 ( 4.769 0.000 3.199) 5.743 14.492 ( 1.663 0.000 0.897) 1.890 14.541 ( 1.105 0.000 0.584) 1.250 14.950 ( -5.918 -0.000 2.599) 6.463 15.008 ( 0.274 0.000 -1.273) 1.302 15.225 ( 1.724 0.000 -2.693) 3.198 15.857 ( 9.198 0.000 -0.271) 9.202 16.423 ( 0.903 0.000 -2.541) 2.697 16.553 ( -5.484 -0.000 -0.483) 5.505 16.621 ( -3.748 -0.000 -1.580) 4.068 16.912 ( 0.430 0.000 1.207) 1.281 16.991 ( 0.641 0.000 0.116) 0.651 17.183 ( 0.288 0.000 0.313) 0.425 17.553 ( -1.749 -0.000 -1.757) 2.479 19.853 ( 6.475 0.000 0.581) 6.501 20.140 ( 1.536 0.000 2.552) 2.978 21.000 ( -0.947 -0.000 2.000) 2.212 21.012 ( 1.729 0.000 -0.252) 1.747 21.953 ( -5.185 -0.000 3.125) 6.054 22.289 ( 0.854 0.000 -4.802) 4.877 23.294 ( -3.152 -0.000 2.426) 3.978 23.443 ( 1.620 0.000 -3.709) 4.047 26.959 ( 0.063 0.000 0.334) 0.340 26.963 ( 0.256 0.000 0.145) 0.294 29.435 ( 2.054 0.000 0.817) 2.210 29.620 ( 0.095 0.000 -4.726) 4.727 30.235 ( 3.576 0.000 3.534) 5.027 30.692 ( -0.320 -0.000 2.394) 2.415 30.719 ( -2.337 -0.000 3.864) 4.516 31.236 ( 4.698 0.000 1.081) 4.820 31.420 ( -0.814 -0.000 3.553) 3.645 31.967 ( 0.005 0.000 -2.562) 2.562 32.173 ( 0.947 0.000 -1.469) 1.748 32.341 ( 2.364 0.000 -9.080) 9.383 32.665 ( 0.591 0.000 -4.392) 4.432 33.342 ( 24.931 0.000 -32.851) 41.240 33.555 ( -5.753 -0.000 7.379) 9.357 33.787 ( 3.936 0.000 -10.594) 11.302 35.342 ( -1.610 -0.000 2.427) 2.913 35.489 ( 1.496 0.000 -2.035) 2.526 35.701 ( -4.856 -0.000 4.360) 6.526 35.832 ( 2.770 0.000 -5.488) 6.147 36.246 ( 3.573 0.000 2.861) 4.577 36.375 ( -0.433 -0.000 10.194) 10.203 37.139 ( -21.476 -0.000 26.902) 34.423 38.896 ( -3.456 -0.000 -6.999) 7.805 ======================= Grid point 161 (80/114) ======================= q-point: (-0.50 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 6.897 -7.715 -10.374) 14.653 1.916 ( -10.905 -8.923 -4.873) 14.909 2.137 ( -14.741 -6.232 -3.750) 16.438 2.314 ( 8.497 -12.332 -21.270) 26.013 2.644 ( 1.733 1.938 -1.785) 3.154 2.755 ( 8.718 8.239 -4.342) 12.757 2.930 ( -2.799 1.727 -5.881) 6.738 3.063 ( 3.506 2.048 -3.009) 5.054 3.289 ( 10.885 -0.549 11.123) 15.572 3.399 ( 7.193 -1.116 -4.777) 8.707 3.521 ( -2.764 0.200 -2.068) 3.457 3.607 ( 1.531 -0.322 8.202) 8.350 3.718 ( -2.058 -0.780 -1.275) 2.544 3.883 ( -1.294 -5.201 2.971) 6.128 4.170 ( -0.629 1.713 -2.626) 3.198 4.299 ( -7.431 -0.383 4.599) 8.747 4.517 ( 3.388 -3.024 20.626) 21.120 4.775 ( 1.462 2.897 1.171) 3.450 4.937 ( 1.037 0.355 2.277) 2.527 4.968 ( -1.153 -0.959 -2.269) 2.720 5.008 ( -0.883 -1.294 2.109) 2.627 5.377 ( -3.656 -0.947 -4.326) 5.743 5.473 ( -8.398 1.390 -10.010) 13.140 5.608 ( -3.820 -6.759 -2.607) 8.189 5.691 ( 1.674 1.874 -5.138) 5.719 5.765 ( 0.685 -5.628 0.158) 5.672 6.107 ( -0.721 1.156 1.572) 2.080 6.243 ( 5.656 5.149 0.757) 7.686 6.408 ( -5.919 2.100 -4.271) 7.595 6.522 ( -1.386 5.460 0.529) 5.658 7.886 ( -1.354 0.631 1.340) 2.006 7.991 ( -4.400 4.776 -3.047) 7.173 8.265 ( 5.565 4.910 4.003) 8.432 8.508 ( 1.343 -2.404 1.582) 3.176 8.855 ( 0.794 -0.178 4.509) 4.582 9.010 ( 0.568 -5.160 3.227) 6.113 9.186 ( -0.231 4.303 1.300) 4.501 9.356 ( 2.080 -1.074 -8.480) 8.797 9.420 ( -4.751 -0.386 -2.688) 5.472 9.469 ( -1.027 -2.342 -6.973) 7.427 9.766 ( -0.833 0.348 2.227) 2.403 9.928 ( 2.051 -1.203 -4.592) 5.171 10.261 ( -1.435 4.601 1.181) 4.962 10.391 ( 6.471 7.966 -1.199) 10.333 10.518 ( -10.807 0.699 0.428) 10.838 10.879 ( 0.625 5.763 -7.359) 9.368 11.101 ( -7.100 -0.569 4.971) 8.686 11.186 ( 2.346 -6.189 0.333) 6.628 11.397 ( -1.947 -2.017 -1.922) 3.399 11.568 ( -1.460 -0.427 -5.067) 5.291 11.819 ( -3.992 2.067 -5.705) 7.263 12.023 ( 9.643 13.330 -7.832) 18.221 12.167 ( -4.984 -0.527 6.667) 8.340 12.272 ( 6.059 1.211 0.882) 6.241 12.409 ( 1.787 -0.720 3.016) 3.579 12.640 ( 2.581 1.665 4.860) 5.750 12.814 ( 1.672 10.351 0.731) 10.510 12.875 ( 1.459 1.069 0.943) 2.040 13.345 ( 1.022 -0.867 1.984) 2.394 13.477 ( -3.302 0.068 2.838) 4.355 13.620 ( -1.066 -0.915 -2.151) 2.570 13.712 ( -7.350 -7.335 -8.801) 13.612 14.319 ( 14.305 2.251 9.643) 17.398 14.578 ( 0.675 -5.074 -0.671) 5.162 14.770 ( 2.669 -17.958 5.569) 18.990 15.008 ( -3.911 -8.088 2.120) 9.231 15.055 ( -0.266 -6.605 -0.816) 6.660 15.266 ( 1.809 -5.739 -0.506) 6.038 15.984 ( 6.574 -6.679 -1.214) 9.450 16.317 ( -4.775 6.540 -5.455) 9.763 16.467 ( -1.529 3.940 1.279) 4.415 16.566 ( -1.877 3.665 -0.282) 4.127 16.944 ( 3.176 -2.704 1.487) 4.428 17.056 ( -0.211 -4.951 0.041) 4.956 17.260 ( 0.934 -6.319 0.881) 6.448 17.521 ( -3.272 -0.379 -3.161) 4.566 19.944 ( 6.110 -3.878 1.041) 7.311 20.121 ( -1.236 2.362 0.637) 2.741 20.902 ( -1.715 8.986 2.484) 9.479 20.981 ( 1.862 5.890 -1.505) 6.358 22.016 ( -4.699 -8.617 3.968) 10.587 22.335 ( 1.183 -7.179 -5.766) 9.283 23.217 ( -4.058 6.650 3.008) 8.351 23.399 ( 1.575 3.722 -4.288) 5.893 27.089 ( 1.992 -13.065 0.274) 13.219 27.102 ( -2.003 -14.887 1.640) 15.111 29.274 ( 2.131 16.952 1.995) 17.201 29.511 ( -1.447 8.596 -6.546) 10.901 30.476 ( 8.693 -13.375 10.278) 18.976 30.739 ( -0.165 -2.888 3.321) 4.404 30.750 ( -0.565 -3.299 3.687) 4.980 31.311 ( 5.153 -2.701 2.115) 6.191 31.467 ( -2.044 -3.966 3.153) 5.463 31.860 ( -1.116 8.082 -3.616) 8.924 32.021 ( 0.692 12.427 -3.266) 12.868 32.372 ( 0.615 -5.633 -12.794) 13.993 32.775 ( 1.254 -11.457 -2.937) 11.893 33.285 ( 16.110 2.411 -32.797) 36.620 33.529 ( -4.263 2.721 6.302) 8.081 33.741 ( 3.938 2.839 -7.355) 8.813 35.366 ( -1.062 -2.128 2.641) 3.554 35.484 ( 0.971 0.256 -1.566) 1.860 35.701 ( -5.401 -1.843 3.986) 6.961 35.873 ( 3.729 -4.370 -5.247) 7.780 36.299 ( 3.288 -0.253 4.636) 5.690 36.419 ( -1.650 -1.115 5.465) 5.817 37.147 ( -13.106 2.741 32.356) 35.017 38.689 ( -5.168 11.950 -13.125) 18.487 ======================= Grid point 162 (81/114) ======================= q-point: (-0.38 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 6.076 -11.422 2.407) 13.159 2.128 ( -4.187 -14.926 3.905) 15.987 2.144 ( -16.448 -13.371 -1.992) 21.290 2.519 ( -2.706 2.149 -3.829) 5.157 2.662 ( 17.799 -13.937 -11.772) 25.487 2.721 ( 0.138 -1.829 -11.520) 11.665 2.833 ( 2.208 0.256 -0.139) 2.228 3.032 ( -3.638 -3.664 -5.313) 7.409 3.297 ( 0.191 3.403 -0.731) 3.486 3.450 ( 0.279 4.543 -4.418) 6.343 3.486 ( 7.973 0.892 -2.673) 8.457 3.585 ( 1.604 2.909 -2.058) 3.908 3.711 ( -3.103 1.681 -0.249) 3.538 3.984 ( -0.237 -2.696 3.223) 4.209 4.133 ( 1.254 2.189 1.833) 3.119 4.243 ( -8.522 0.440 1.453) 8.656 4.654 ( 1.722 2.801 15.050) 15.405 4.752 ( 2.791 2.031 3.143) 4.668 4.935 ( -2.194 1.503 2.957) 3.977 5.019 ( -0.460 -2.814 1.313) 3.139 5.066 ( 4.536 -1.355 3.416) 5.838 5.309 ( -5.556 1.063 -12.239) 13.483 5.418 ( 0.744 -4.624 1.353) 4.875 5.649 ( 1.133 1.809 1.520) 2.621 5.704 ( -3.414 -8.166 -6.109) 10.755 5.819 ( -3.076 -2.375 -5.324) 6.592 6.122 ( 2.529 0.218 4.471) 5.141 6.205 ( 5.150 3.834 4.596) 7.896 6.330 ( -2.962 -0.131 -3.737) 4.771 6.394 ( -2.408 6.056 -0.994) 6.592 7.881 ( -2.563 0.214 1.548) 3.002 7.891 ( 2.388 3.381 0.161) 4.142 8.252 ( 7.986 4.141 4.789) 10.191 8.498 ( -7.307 0.214 -3.702) 8.194 8.895 ( 0.898 -0.994 4.131) 4.343 9.104 ( 2.747 -0.778 2.313) 3.674 9.155 ( 0.294 0.534 2.585) 2.656 9.348 ( -4.487 -0.677 -7.898) 9.109 9.386 ( 0.211 -1.952 -2.158) 2.917 9.455 ( -2.083 -1.777 -7.082) 7.593 9.786 ( 1.740 -1.047 3.006) 3.627 9.936 ( 4.045 1.029 -0.137) 4.176 10.115 ( -4.565 8.401 -2.506) 9.884 10.214 ( -2.744 6.214 -2.451) 7.221 10.502 ( -1.212 1.677 3.258) 3.860 10.717 ( 0.339 6.727 -6.453) 9.328 11.101 ( -3.722 0.009 6.582) 7.562 11.330 ( 1.591 -6.332 3.511) 7.413 11.454 ( 2.748 -4.241 -3.908) 6.389 11.540 ( -3.651 -2.373 -3.785) 5.769 11.702 ( -3.590 3.941 -4.387) 6.904 11.748 ( 0.717 12.640 -10.202) 16.259 12.216 ( -0.023 -2.034 5.477) 5.843 12.294 ( 4.744 1.326 1.642) 5.192 12.456 ( -0.301 -0.836 2.719) 2.860 12.574 ( -0.427 5.078 -0.454) 5.116 12.684 ( 3.536 7.737 3.621) 9.245 12.864 ( -0.702 1.886 -2.438) 3.161 13.445 ( 4.321 -3.517 4.348) 7.067 13.466 ( -3.509 0.690 3.098) 4.732 13.609 ( 2.686 -1.757 -0.839) 3.318 13.713 ( -7.760 -5.125 -8.956) 12.911 14.471 ( 12.377 -1.761 6.737) 14.202 14.621 ( -2.768 -0.422 -2.716) 3.901 14.974 ( 0.100 -4.397 4.972) 6.638 15.165 ( -1.913 -7.407 0.787) 7.691 15.277 ( -0.303 -13.438 2.836) 13.738 15.444 ( 3.571 -9.614 0.659) 10.277 16.090 ( -3.941 1.512 -2.102) 4.715 16.176 ( 1.976 -2.832 -4.767) 5.886 16.435 ( -4.808 -0.512 2.195) 5.310 16.509 ( 6.585 2.575 0.790) 7.115 17.052 ( 4.060 -4.161 1.984) 6.143 17.129 ( -1.585 -3.878 -0.533) 4.223 17.387 ( 1.041 -5.520 0.864) 5.684 17.494 ( -2.688 -1.216 -2.383) 3.792 20.081 ( 4.785 -6.110 -0.563) 7.781 20.085 ( -1.805 -0.228 0.279) 1.841 20.710 ( -2.337 11.779 2.725) 12.314 20.833 ( 2.018 10.196 -3.010) 10.821 22.205 ( -4.400 -13.013 4.353) 14.410 22.481 ( 2.421 -10.956 -6.002) 12.724 23.064 ( -4.398 8.314 4.759) 10.541 23.291 ( 2.018 6.930 -4.563) 8.539 27.420 ( -4.882 -21.381 2.180) 22.040 27.442 ( 6.577 -21.165 1.302) 22.201 28.957 ( 2.492 21.655 3.773) 22.122 29.227 ( -3.340 16.069 -8.829) 18.637 30.794 ( 2.427 -6.084 4.796) 8.118 30.836 ( 2.451 -8.612 2.232) 9.228 30.914 ( 3.670 -9.678 12.037) 15.876 31.427 ( 6.794 -3.419 2.994) 8.174 31.540 ( -5.127 -4.835 2.485) 7.473 31.663 ( -2.044 9.086 -5.010) 10.575 31.779 ( 1.290 12.869 -1.802) 13.058 32.346 ( 0.640 -1.949 -23.529) 23.618 32.990 ( 0.908 -12.134 -1.654) 12.279 33.191 ( 3.721 -0.481 -17.430) 17.830 33.476 ( -1.610 3.700 4.650) 6.157 33.664 ( 3.958 5.371 -4.815) 8.228 35.416 ( -0.826 -2.293 2.313) 3.360 35.488 ( 0.314 -1.080 -0.782) 1.370 35.726 ( -6.029 -3.021 4.791) 8.272 35.947 ( 3.749 -2.686 -4.018) 6.116 36.338 ( -0.404 0.775 6.667) 6.724 36.468 ( -0.947 -3.184 1.661) 3.714 37.208 ( -3.940 1.764 28.214) 28.543 38.304 ( -2.910 16.546 -17.285) 24.104 ======================= Grid point 163 (82/114) ======================= q-point: (-0.25 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -4.133 -4.112 1.113) 5.935 2.237 ( 2.793 -7.661 1.564) 8.303 2.320 ( -3.528 3.401 3.473) 6.007 2.482 ( -10.836 -4.901 -6.293) 13.456 2.702 ( 10.520 -7.257 11.423) 17.141 2.971 ( 0.322 -11.766 -2.794) 12.097 3.016 ( -7.006 -3.370 -5.845) 9.727 3.050 ( 12.482 -2.200 -0.339) 12.679 3.255 ( -1.558 -7.966 -13.328) 15.605 3.326 ( 2.347 -0.440 -6.842) 7.247 3.486 ( -2.399 -3.761 -6.995) 8.296 3.559 ( 7.064 1.909 -4.473) 8.576 3.626 ( -4.865 4.900 5.837) 9.042 3.969 ( 1.753 4.726 1.803) 5.354 4.125 ( -5.984 -1.879 0.167) 6.275 4.240 ( 4.689 -0.617 2.770) 5.481 4.649 ( 2.200 4.983 7.231) 9.053 4.734 ( -0.586 4.040 -1.157) 4.243 4.871 ( -2.810 3.606 1.111) 4.704 5.000 ( -8.050 -0.132 -0.324) 8.057 5.135 ( 5.405 -1.522 0.551) 5.643 5.240 ( 1.125 0.593 -6.674) 6.794 5.520 ( 4.193 1.180 7.530) 8.699 5.674 ( 0.011 0.361 2.472) 2.498 5.728 ( -2.406 -2.175 -3.187) 4.547 5.814 ( -3.420 -5.093 -2.982) 6.821 6.138 ( 4.017 5.576 4.495) 8.213 6.243 ( -1.159 -3.559 0.444) 3.769 6.251 ( -1.307 3.632 1.339) 4.086 6.381 ( 1.142 -5.016 -2.362) 5.661 7.855 ( -0.526 1.238 1.020) 1.688 7.900 ( 4.777 0.666 1.408) 5.025 8.284 ( 4.197 3.240 4.740) 7.112 8.375 ( -9.047 0.848 -6.078) 10.932 8.954 ( 2.634 -0.481 5.455) 6.077 9.095 ( 1.532 3.755 1.178) 4.223 9.146 ( -3.587 1.380 -2.257) 4.457 9.285 ( -0.685 -1.341 -9.075) 9.199 9.397 ( -0.557 -0.709 1.053) 1.387 9.457 ( 0.152 -2.152 -1.442) 2.595 9.793 ( 0.889 3.379 1.309) 3.731 9.918 ( -1.355 6.786 0.409) 6.932 10.040 ( 4.668 -6.834 2.547) 8.659 10.156 ( -2.365 -3.117 -3.043) 4.957 10.447 ( -0.782 4.691 3.529) 5.923 10.601 ( -0.321 3.431 -5.388) 6.396 11.103 ( -3.038 1.639 7.506) 8.262 11.405 ( -2.006 3.589 -1.811) 4.493 11.445 ( -0.958 -1.220 -2.243) 2.727 11.508 ( -4.819 6.665 -2.532) 8.606 11.608 ( 6.540 -2.812 2.889) 7.683 11.695 ( -0.961 -8.954 -7.456) 11.692 12.284 ( 6.475 -0.418 3.247) 7.255 12.296 ( -3.839 -0.696 -3.213) 5.054 12.480 ( -3.170 -2.647 2.059) 4.614 12.544 ( 1.801 -1.242 1.050) 2.426 12.606 ( 4.166 6.890 3.919) 8.955 12.732 ( -2.041 8.385 -5.162) 10.056 13.426 ( -4.416 2.172 2.489) 5.514 13.526 ( 4.580 -0.653 1.777) 4.956 13.716 ( -2.792 -5.304 -3.492) 6.937 13.751 ( 3.439 -8.756 -1.134) 9.475 14.497 ( -6.597 6.531 0.602) 9.302 14.609 ( 6.201 -0.058 0.970) 6.277 15.125 ( 1.923 -7.447 5.889) 9.687 15.251 ( -2.822 -6.963 -3.029) 8.101 15.421 ( 0.822 -1.443 2.719) 3.186 15.547 ( 1.621 1.992 -2.379) 3.501 16.058 ( -3.905 -5.303 3.696) 7.552 16.259 ( 3.783 -1.826 -3.487) 5.459 16.390 ( -7.992 -0.825 0.130) 8.035 16.580 ( 10.854 -0.522 -1.136) 10.926 17.148 ( 0.570 -3.110 0.952) 3.302 17.170 ( 0.941 -1.703 -0.516) 2.013 17.452 ( -2.549 -1.368 0.039) 2.893 17.497 ( 0.820 -0.671 0.437) 1.146 20.118 ( -1.152 -4.230 0.827) 4.462 20.191 ( 1.983 -2.251 -3.145) 4.346 20.523 ( -0.605 6.997 2.707) 7.527 20.637 ( 1.518 10.651 -3.622) 11.352 22.435 ( -4.211 -13.223 4.336) 14.539 22.679 ( 3.466 -11.341 -5.515) 13.079 22.924 ( -3.289 7.109 6.003) 9.869 23.141 ( 2.499 8.816 -4.063) 10.023 27.780 ( -6.387 -22.659 1.060) 23.565 27.916 ( 11.226 -21.585 2.011) 24.412 28.600 ( 2.538 23.042 5.506) 23.826 28.810 ( -4.794 20.061 -10.615) 23.197 30.919 ( -1.336 -7.046 3.084) 7.807 31.028 ( 3.354 -9.005 -1.096) 9.671 31.140 ( 1.017 -2.172 12.087) 12.323 31.435 ( -1.205 8.562 -1.231) 8.734 31.535 ( -2.893 2.517 -2.655) 4.664 31.601 ( 5.284 -1.026 -0.660) 5.423 31.632 ( -0.396 -1.357 4.112) 4.348 32.221 ( 2.825 0.139 -24.489) 24.652 33.136 ( -4.883 -3.783 -2.032) 6.503 33.204 ( 3.292 -5.804 -2.348) 7.074 33.441 ( -1.350 1.023 2.043) 2.654 33.566 ( 4.165 5.806 -2.822) 7.682 35.452 ( -1.239 -1.140 2.264) 2.822 35.511 ( 0.192 -1.309 -0.749) 1.520 35.761 ( -6.101 -2.618 5.575) 8.669 35.972 ( 2.831 0.498 -2.135) 3.581 36.350 ( -2.706 1.216 7.636) 8.192 36.511 ( -3.113 -1.396 3.550) 4.924 37.350 ( 3.091 -4.012 14.468) 15.329 37.915 ( -0.099 13.531 -16.313) 21.195 ======================= Grid point 164 (83/114) ======================= q-point: (-0.12 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -0.742 5.533 0.803) 5.640 2.152 ( -2.070 3.875 -3.707) 5.748 2.359 ( 2.361 4.863 0.334) 5.417 2.410 ( 3.456 4.503 -2.255) 6.108 2.718 ( -6.537 4.524 -0.580) 7.971 2.887 ( -1.973 11.961 -2.475) 12.373 3.126 ( -3.407 -10.744 -1.500) 11.370 3.259 ( 7.251 -10.395 3.799) 13.231 3.419 ( 2.860 -6.154 -0.670) 6.819 3.435 ( -3.845 -7.599 -2.388) 8.845 3.524 ( 0.208 2.796 5.615) 6.276 3.569 ( 10.900 -6.777 1.085) 12.881 3.658 ( 0.263 -8.649 -8.161) 11.895 3.933 ( 3.309 0.679 -5.484) 6.441 4.091 ( -11.083 -3.378 -1.756) 11.719 4.333 ( 10.556 0.777 7.347) 12.885 4.580 ( -1.243 6.473 3.611) 7.515 4.657 ( 1.666 0.154 -3.075) 3.501 4.815 ( -6.508 0.493 1.952) 6.812 4.960 ( -5.033 -1.848 -1.513) 5.571 5.176 ( 0.530 2.878 -6.895) 7.490 5.202 ( 5.302 -0.849 1.010) 5.464 5.518 ( -3.535 7.154 1.813) 8.183 5.553 ( -2.389 0.922 -0.064) 2.562 5.792 ( -2.691 -2.465 2.695) 4.537 5.906 ( 0.745 -4.262 2.279) 4.890 6.047 ( 0.325 5.233 1.096) 5.357 6.242 ( 9.184 1.924 -1.920) 9.578 6.311 ( -5.496 -4.698 4.110) 8.317 6.468 ( 1.157 -3.827 -0.936) 4.106 7.822 ( -1.697 1.446 -1.481) 2.677 7.946 ( 6.003 0.195 -0.072) 6.007 8.165 ( -10.459 2.666 -2.193) 11.014 8.352 ( 3.436 2.677 1.436) 4.586 8.961 ( -1.765 0.302 -2.293) 2.910 9.017 ( 1.962 5.538 1.431) 6.047 9.147 ( 1.153 -2.329 4.366) 5.081 9.263 ( 1.877 -0.187 -4.007) 4.428 9.443 ( 1.374 -2.676 0.822) 3.118 9.479 ( 1.212 -0.023 -1.988) 2.329 9.759 ( -2.252 -2.078 1.750) 3.529 9.896 ( 5.911 2.371 5.376) 8.335 10.150 ( -7.215 -7.371 -6.250) 12.061 10.262 ( 3.391 -6.125 0.624) 7.029 10.396 ( -0.623 3.169 5.309) 6.214 10.511 ( -0.492 1.128 -5.493) 5.630 11.076 ( -3.949 1.801 5.818) 7.259 11.295 ( 1.877 5.036 -1.958) 5.720 11.410 ( -1.242 2.874 2.794) 4.197 11.441 ( -0.546 -1.619 -2.726) 3.217 11.744 ( -1.166 -6.675 0.261) 6.781 11.837 ( 4.576 -7.809 -1.769) 9.223 12.264 ( -2.458 -2.024 -2.212) 3.877 12.342 ( 3.667 1.286 1.700) 4.241 12.418 ( -7.231 6.557 -4.087) 10.582 12.504 ( 5.365 10.417 2.163) 11.915 12.621 ( 0.995 -3.837 1.565) 4.261 12.681 ( 1.330 -7.951 0.131) 8.062 13.360 ( -3.796 2.835 2.449) 5.333 13.552 ( 4.485 1.995 -1.165) 5.045 13.803 ( -2.468 -6.997 0.672) 7.450 13.894 ( -1.578 -4.963 -4.621) 6.962 14.336 ( -6.892 2.644 1.609) 7.555 14.595 ( 5.402 6.305 -1.408) 8.422 15.253 ( -1.916 -1.669 5.397) 5.965 15.365 ( 1.687 1.097 -0.170) 2.019 15.389 ( -5.296 -4.228 -4.515) 8.143 15.520 ( 6.025 -1.096 3.211) 6.914 16.113 ( -5.341 5.566 -0.340) 7.722 16.227 ( 1.634 -0.798 3.518) 3.960 16.421 ( -3.598 -6.256 -2.409) 7.608 16.628 ( 8.384 2.746 -3.095) 9.350 17.139 ( -2.594 1.737 -1.910) 3.660 17.231 ( 4.658 -1.102 0.865) 4.864 17.409 ( -5.352 1.706 -0.086) 5.618 17.525 ( 2.244 0.017 1.800) 2.877 20.107 ( 0.072 8.276 -0.974) 8.333 20.188 ( 2.310 -0.395 -1.704) 2.897 20.464 ( -1.773 3.017 -0.762) 3.582 20.556 ( 2.637 -5.402 -0.980) 6.090 22.641 ( -3.209 -9.684 4.161) 11.018 22.727 ( -1.929 7.656 2.149) 8.183 22.933 ( 1.364 -5.635 -2.582) 6.346 22.994 ( 2.920 3.862 -1.767) 5.153 28.105 ( -1.199 -4.277 3.715) 5.791 28.193 ( -2.951 0.131 -3.940) 4.925 28.265 ( -4.255 16.032 -1.559) 16.660 28.540 ( 12.787 -9.117 -0.204) 15.706 31.034 ( -3.044 -3.652 2.110) 5.201 31.070 ( -3.120 6.621 3.039) 7.925 31.203 ( -0.495 -2.416 -1.488) 2.880 31.309 ( 2.621 1.650 -0.955) 3.241 31.473 ( -3.421 0.888 -0.536) 3.574 31.600 ( 0.636 1.871 5.300) 5.657 31.703 ( -4.529 -3.332 -6.427) 8.540 32.219 ( 16.244 -4.942 -12.466) 21.064 33.114 ( -2.168 2.097 1.425) 3.336 33.286 ( 4.682 1.187 -1.006) 4.934 33.392 ( -4.548 1.797 1.295) 5.058 33.567 ( 2.082 -4.741 -2.418) 5.715 35.462 ( -1.935 0.203 2.093) 2.857 35.521 ( 0.435 0.007 -0.614) 0.752 35.784 ( -5.184 -1.155 6.224) 8.182 35.962 ( 1.988 1.578 -0.578) 2.604 36.327 ( -3.764 3.319 7.428) 8.964 36.518 ( -3.270 -0.166 2.595) 4.178 37.423 ( -4.787 4.424 -0.350) 6.528 37.788 ( 9.046 -7.522 -6.073) 13.239 ======================= Grid point 169 (84/114) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -22.859 -0.000 -10.061) 24.975 1.652 ( 10.784 0.000 -9.707) 14.509 1.889 ( -19.823 -0.000 -7.978) 21.368 2.166 ( 12.542 0.000 -23.785) 26.889 2.661 ( -10.349 -0.000 -3.705) 10.992 2.891 ( 10.624 0.000 -7.015) 12.731 2.931 ( -1.885 -0.000 5.123) 5.459 3.086 ( 0.420 0.000 -0.578) 0.714 3.414 ( 3.729 0.000 -0.474) 3.759 3.434 ( 13.177 0.000 12.398) 18.093 3.597 ( 2.470 0.000 -1.743) 3.023 3.602 ( 6.628 0.000 4.591) 8.063 3.739 ( -1.400 -0.000 2.296) 2.689 3.786 ( -4.378 -0.000 -0.393) 4.396 4.185 ( 3.031 0.000 0.294) 3.045 4.258 ( -7.799 -0.000 3.241) 8.446 4.641 ( 4.296 0.000 21.203) 21.634 4.819 ( 0.359 0.000 1.694) 1.732 4.950 ( 0.369 0.000 3.126) 3.148 4.958 ( 2.464 0.000 -2.946) 3.840 5.027 ( 4.192 0.000 5.699) 7.075 5.279 ( -6.296 -0.000 -7.359) 9.684 5.354 ( -8.065 -0.000 -12.412) 14.802 5.398 ( -11.964 -0.000 -10.945) 16.215 5.713 ( 4.700 0.000 -2.062) 5.132 5.795 ( 4.342 0.000 3.640) 5.666 6.123 ( 0.242 0.000 1.429) 1.450 6.305 ( 0.884 0.000 -4.038) 4.133 6.387 ( -1.523 -0.000 1.202) 1.940 6.558 ( -1.937 -0.000 -1.476) 2.435 7.871 ( -3.409 -0.000 2.175) 4.043 7.972 ( -3.884 -0.000 -2.699) 4.730 8.394 ( 6.972 0.000 3.774) 7.928 8.497 ( -2.601 -0.000 0.671) 2.686 8.909 ( -1.862 -0.000 -0.076) 1.864 8.967 ( 7.726 0.000 4.330) 8.856 9.227 ( -2.424 -0.000 -0.394) 2.456 9.329 ( 3.921 0.000 -8.814) 9.647 9.367 ( -3.340 -0.000 -7.507) 8.216 9.377 ( -3.116 -0.000 -1.045) 3.286 9.759 ( -4.177 -0.000 2.925) 5.099 9.916 ( 3.637 0.000 -2.992) 4.710 10.301 ( -2.153 -0.000 0.128) 2.157 10.426 ( -10.608 -0.000 -3.277) 11.103 10.543 ( 8.797 0.000 4.721) 9.984 10.894 ( -0.145 -0.000 -8.137) 8.138 11.045 ( -9.179 -0.000 4.688) 10.307 11.150 ( 6.004 0.000 -0.341) 6.014 11.352 ( -3.126 -0.000 -0.827) 3.234 11.536 ( 0.357 0.000 -5.727) 5.738 11.804 ( -1.370 -0.000 -1.227) 1.839 12.057 ( -7.912 -0.000 -12.751) 15.006 12.261 ( 4.416 0.000 7.604) 8.794 12.358 ( 10.287 0.000 5.791) 11.805 12.474 ( 4.394 0.000 5.410) 6.969 12.688 ( 0.817 0.000 1.880) 2.050 12.874 ( 1.077 0.000 -0.848) 1.371 12.945 ( -1.598 -0.000 -3.169) 3.549 13.349 ( 0.920 0.000 0.551) 1.073 13.451 ( -6.788 -0.000 -4.228) 7.997 13.519 ( 0.726 0.000 3.072) 3.156 13.626 ( -1.454 -0.000 -3.756) 4.028 14.536 ( 2.230 0.000 1.169) 2.518 14.548 ( 2.299 0.000 2.030) 3.067 14.633 ( 19.080 0.000 16.693) 25.352 14.907 ( -2.899 -0.000 2.324) 3.715 14.991 ( -0.120 -0.000 -2.078) 2.082 15.208 ( 0.130 0.000 -4.526) 4.528 15.957 ( 3.208 0.000 2.354) 3.980 16.311 ( -5.949 -0.000 -9.265) 11.011 16.517 ( 0.907 0.000 0.599) 1.087 16.573 ( -0.835 -0.000 -1.204) 1.465 16.947 ( 1.462 0.000 1.577) 2.150 17.003 ( 0.525 0.000 -0.438) 0.684 17.217 ( 1.828 0.000 3.127) 3.622 17.457 ( -5.146 -0.000 -5.382) 7.446 19.968 ( 5.824 0.000 2.680) 6.411 20.113 ( -5.392 -0.000 -1.385) 5.568 20.996 ( -2.094 -0.000 1.483) 2.566 21.038 ( 1.655 0.000 0.256) 1.675 21.929 ( -3.747 -0.000 5.078) 6.311 22.240 ( 1.167 0.000 -6.298) 6.406 23.268 ( -3.352 -0.000 2.183) 4.000 23.421 ( 1.804 0.000 -4.078) 4.460 26.964 ( -0.025 -0.000 0.341) 0.342 26.968 ( 0.129 0.000 0.160) 0.205 29.455 ( 0.184 0.000 -0.219) 0.286 29.543 ( -2.283 -0.000 -4.907) 5.412 30.518 ( 11.577 0.000 21.617) 24.521 30.733 ( -0.878 -0.000 3.022) 3.147 30.740 ( 2.436 0.000 2.420) 3.434 31.340 ( 6.092 0.000 2.162) 6.465 31.431 ( -1.525 -0.000 1.860) 2.405 31.889 ( -2.590 -0.000 -11.287) 11.580 32.138 ( -2.708 -0.000 -2.104) 3.429 32.249 ( 0.456 0.000 -10.012) 10.022 32.641 ( 0.812 0.000 -1.800) 1.974 33.198 ( 11.961 0.000 -42.454) 44.107 33.556 ( -3.379 -0.000 5.479) 6.438 33.768 ( 5.864 0.000 -6.076) 8.444 35.352 ( -1.358 -0.000 3.003) 3.296 35.487 ( 1.389 0.000 -2.373) 2.750 35.663 ( -4.849 -0.000 2.924) 5.663 35.831 ( 4.566 0.000 -4.368) 6.319 36.354 ( 4.679 0.000 4.332) 6.376 36.409 ( -5.433 -0.000 3.902) 6.689 37.320 ( -5.459 -0.000 42.331) 42.682 38.657 ( -8.277 -0.000 -17.134) 19.029 ======================= Grid point 170 (85/114) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -18.151 -22.470 -0.640) 28.892 1.724 ( -21.190 -10.761 -3.622) 24.040 1.866 ( 10.452 -10.488 -6.743) 16.270 2.238 ( 7.699 -11.685 -15.861) 21.151 2.508 ( -17.190 -1.101 -6.562) 18.432 2.850 ( 3.911 6.190 0.636) 7.350 2.897 ( 5.776 5.717 -0.961) 8.184 3.033 ( -2.340 4.583 -3.379) 6.156 3.396 ( 2.831 4.220 0.761) 5.139 3.491 ( 2.707 6.766 -3.202) 7.960 3.640 ( -1.716 5.165 -0.871) 5.512 3.673 ( 14.435 -0.786 4.801) 15.233 3.699 ( -1.709 -0.411 2.349) 2.934 3.843 ( -1.021 -7.600 -3.155) 8.292 4.207 ( -7.411 1.133 2.023) 7.765 4.244 ( 8.733 0.206 6.154) 10.686 4.772 ( -2.760 -1.563 13.319) 13.691 4.832 ( 2.837 1.709 4.480) 5.571 4.928 ( -4.899 1.771 5.373) 7.483 5.022 ( 3.994 -1.506 2.520) 4.957 5.131 ( 7.668 0.910 5.442) 9.447 5.200 ( -1.760 -2.316 -11.246) 11.616 5.271 ( -3.370 -5.351 -4.011) 7.489 5.378 ( -7.339 -12.618 -10.876) 18.203 5.727 ( 4.561 2.391 0.638) 5.189 5.803 ( 0.031 1.268 -3.585) 3.803 6.140 ( 0.265 -0.428 2.930) 2.973 6.264 ( -2.414 -0.857 -5.540) 6.104 6.380 ( 4.520 4.756 5.742) 8.719 6.481 ( -2.369 5.072 -2.532) 6.144 7.863 ( -2.109 0.826 2.749) 3.562 7.947 ( 2.620 0.678 0.034) 2.706 8.426 ( 7.133 3.793 4.144) 9.079 8.434 ( -9.134 1.594 -3.430) 9.886 8.899 ( 0.461 -0.733 3.806) 3.903 9.092 ( 4.872 -4.319 -2.047) 6.825 9.170 ( -6.489 -0.638 -3.853) 7.573 9.271 ( 0.305 2.473 -3.189) 4.047 9.351 ( -1.510 -0.217 -1.846) 2.395 9.387 ( 3.719 -2.224 -3.784) 5.753 9.750 ( -6.196 -2.327 2.312) 7.011 9.954 ( 5.212 -1.768 -1.598) 5.731 10.217 ( -3.605 6.819 0.706) 7.745 10.310 ( -2.220 5.816 -1.998) 6.538 10.584 ( 3.632 3.832 5.744) 7.802 10.788 ( -0.718 5.209 -8.253) 9.786 11.063 ( -4.987 -4.654 6.368) 9.332 11.268 ( 5.813 -5.270 2.026) 8.103 11.342 ( -1.361 -2.789 -1.702) 3.539 11.497 ( 0.353 0.921 -6.741) 6.813 11.747 ( -3.212 4.651 -0.268) 5.659 11.872 ( -5.146 7.151 -10.455) 13.672 12.237 ( -2.956 4.537 7.153) 8.971 12.431 ( 7.705 2.689 0.949) 8.215 12.518 ( 4.164 3.380 6.646) 8.540 12.632 ( -3.392 3.947 -3.399) 6.216 12.835 ( 1.605 4.775 0.236) 5.043 12.884 ( 1.219 2.171 -2.690) 3.666 13.420 ( -0.136 -3.400 1.344) 3.658 13.429 ( 0.320 -4.823 2.515) 5.448 13.550 ( -1.830 -1.492 -1.343) 2.716 13.616 ( 0.845 -0.470 -3.092) 3.240 14.532 ( 1.179 -0.394 0.820) 1.489 14.573 ( 1.241 0.010 -1.580) 2.009 14.919 ( -3.271 -5.111 5.943) 8.494 15.024 ( 3.531 -11.876 6.658) 14.066 15.099 ( 9.665 -8.391 0.444) 12.807 15.264 ( 1.277 -11.267 -4.216) 12.098 16.039 ( 0.808 -3.494 3.387) 4.932 16.147 ( -6.752 4.218 -8.494) 11.642 16.495 ( 2.690 4.309 1.187) 5.216 16.562 ( 3.156 -0.309 -1.529) 3.521 17.006 ( 0.476 -4.105 1.185) 4.299 17.049 ( 1.202 -4.190 -1.060) 4.487 17.302 ( 1.492 -4.824 3.404) 6.090 17.406 ( -4.747 -2.620 -5.113) 7.452 20.045 ( 4.449 -2.135 2.087) 5.358 20.049 ( -6.249 -0.009 -2.021) 6.568 20.896 ( -2.492 8.867 2.161) 9.461 20.994 ( 1.876 6.653 -1.228) 7.020 22.010 ( -3.413 -7.998 6.332) 10.757 22.290 ( 2.098 -7.839 -6.397) 10.333 23.191 ( -3.601 6.353 3.650) 8.164 23.382 ( 2.724 3.811 -4.061) 6.199 27.083 ( -2.005 -12.939 0.674) 13.111 27.141 ( 4.298 -17.299 0.476) 17.831 29.318 ( 0.831 14.143 2.038) 14.313 29.404 ( -3.109 10.328 -5.120) 11.939 30.756 ( -0.661 -1.929 2.036) 2.882 30.777 ( 6.392 -3.777 7.182) 10.330 30.857 ( 4.658 -8.737 17.063) 19.727 31.429 ( 7.148 -3.166 0.866) 7.866 31.449 ( -3.226 -2.158 1.263) 4.081 31.722 ( -5.043 4.564 -15.597) 17.016 31.997 ( -0.492 10.714 -1.041) 10.775 32.183 ( -2.262 -0.245 -17.387) 17.535 32.766 ( -0.166 -11.412 -0.481) 11.424 33.056 ( 3.042 -2.826 -30.106) 30.391 33.542 ( -1.882 2.275 4.329) 5.240 33.756 ( 6.677 3.252 -5.195) 9.064 35.378 ( -1.452 -2.120 2.656) 3.696 35.479 ( 0.652 0.192 -1.688) 1.820 35.662 ( -4.670 -1.916 3.390) 6.080 35.892 ( 5.670 -4.123 -4.331) 8.240 36.373 ( -4.039 0.491 3.271) 5.221 36.428 ( 2.073 -1.685 2.873) 3.923 37.485 ( 0.414 7.331 42.772) 43.398 38.402 ( -5.751 9.455 -20.340) 23.156 ======================= Grid point 171 (86/114) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -21.145 -16.785 -5.151) 27.484 2.020 ( -9.547 -24.318 10.395) 28.117 2.182 ( 10.072 -15.273 2.888) 18.522 2.259 ( -20.097 -4.375 -2.365) 20.703 2.636 ( 5.551 -21.195 -13.370) 25.667 2.807 ( 7.735 2.299 -6.891) 10.611 2.845 ( -4.831 3.106 -0.771) 5.795 2.907 ( -2.919 -3.339 -0.809) 4.508 3.335 ( 4.548 6.828 -0.591) 8.225 3.392 ( 4.487 3.982 -2.374) 6.452 3.487 ( 0.885 7.700 -4.918) 9.179 3.599 ( -2.042 4.473 -2.250) 5.407 3.749 ( 2.339 3.721 2.078) 4.861 3.978 ( 3.907 -4.851 -1.823) 6.490 4.121 ( -5.368 4.029 2.128) 7.041 4.368 ( 12.528 0.869 8.872) 15.376 4.805 ( 2.725 6.515 0.270) 7.067 4.810 ( -2.252 1.347 6.759) 7.251 4.879 ( -9.500 1.310 5.742) 11.177 4.966 ( 0.051 4.452 -4.205) 6.124 5.172 ( 7.069 -1.125 0.814) 7.204 5.211 ( 1.311 -1.440 -4.227) 4.654 5.494 ( -1.190 -9.582 -0.779) 9.687 5.555 ( 2.567 -13.981 1.278) 14.272 5.708 ( 1.636 2.088 1.958) 3.297 5.735 ( -1.279 1.653 -4.812) 5.246 6.157 ( -5.953 -1.416 2.018) 6.444 6.265 ( 2.712 -0.968 -1.503) 3.248 6.319 ( -1.180 6.315 -1.595) 6.619 6.387 ( 6.163 3.230 2.891) 7.535 7.848 ( -0.668 0.709 1.602) 1.875 7.969 ( 4.336 0.818 0.452) 4.436 8.272 ( -11.770 3.677 -5.415) 13.467 8.440 ( 5.610 2.940 4.689) 7.880 8.955 ( -2.447 -1.134 3.679) 4.562 9.106 ( -4.728 -0.287 -1.029) 4.847 9.177 ( 3.807 -2.534 -5.164) 6.898 9.228 ( 0.344 0.273 0.029) 0.440 9.358 ( 2.668 -1.488 -0.287) 3.068 9.430 ( 1.955 -1.097 -0.736) 2.359 9.781 ( -4.781 -4.693 0.558) 6.722 9.972 ( -1.275 3.610 -7.567) 8.481 10.101 ( 3.458 2.470 8.025) 9.080 10.174 ( 1.991 8.358 0.273) 8.596 10.535 ( -1.834 4.924 3.408) 6.263 10.651 ( 0.287 5.056 -5.143) 7.217 11.150 ( -1.412 -0.809 9.200) 9.343 11.343 ( -4.631 -3.566 0.560) 5.871 11.427 ( 2.038 1.471 -8.982) 9.327 11.473 ( 0.553 -7.040 -0.795) 7.106 11.617 ( -3.493 4.646 -1.536) 6.012 11.672 ( 0.197 5.577 -0.212) 5.584 12.216 ( -3.238 -1.737 1.473) 3.959 12.411 ( 5.676 3.438 -1.742) 6.861 12.466 ( -3.699 3.002 0.990) 4.865 12.556 ( 2.350 2.890 0.417) 3.748 12.779 ( 1.630 5.346 -0.076) 5.590 12.818 ( 2.139 4.499 -0.688) 5.029 13.443 ( -3.932 0.572 3.946) 5.600 13.534 ( -3.268 -4.116 -3.523) 6.327 13.575 ( 3.378 -1.028 1.417) 3.804 13.665 ( 6.376 -6.234 -0.689) 8.944 14.469 ( -11.112 1.920 -5.598) 12.590 14.616 ( 1.734 -3.503 0.807) 3.991 15.022 ( -3.394 -7.117 2.060) 8.149 15.171 ( 4.759 -3.866 0.973) 6.208 15.361 ( 4.268 -8.513 3.992) 10.326 15.523 ( 7.876 -9.245 -2.445) 12.388 15.977 ( -7.157 0.534 -0.474) 7.193 16.145 ( -1.564 -4.762 -1.268) 5.170 16.427 ( 0.923 6.035 1.495) 6.286 16.650 ( 11.666 -3.220 -1.986) 12.264 17.070 ( -2.181 -4.190 -1.144) 4.860 17.146 ( 3.558 -3.901 0.239) 5.285 17.387 ( -2.930 -3.286 -0.350) 4.417 17.447 ( 0.259 -5.123 -0.285) 5.138 20.023 ( -5.189 -3.445 -0.895) 6.292 20.126 ( 2.423 -3.584 -1.639) 4.626 20.703 ( -2.413 11.087 2.572) 11.634 20.835 ( 2.264 11.036 -2.529) 11.546 22.205 ( -3.385 -11.964 6.657) 14.104 22.458 ( 3.262 -11.896 -5.836) 13.646 23.069 ( -2.452 7.269 6.039) 9.764 23.284 ( 3.493 7.116 -4.041) 8.898 27.359 ( -4.176 -19.460 0.515) 19.910 27.610 ( 13.512 -24.826 0.547) 28.270 29.029 ( -0.293 19.872 3.199) 20.130 29.082 ( -2.647 18.813 -5.094) 19.669 30.812 ( -0.894 -4.739 0.293) 4.832 30.913 ( 4.131 -6.369 -0.175) 7.594 31.143 ( 0.015 -6.776 16.562) 17.895 31.408 ( -11.719 -2.072 -12.375) 17.169 31.540 ( 2.924 -1.994 -4.858) 6.010 31.589 ( 4.239 1.932 4.248) 6.304 31.790 ( -0.528 11.439 2.436) 11.707 32.066 ( 0.552 -2.962 -22.622) 22.822 32.947 ( -4.325 -9.873 -3.511) 11.336 33.063 ( 0.085 -8.778 -6.475) 10.909 33.500 ( -0.960 3.558 3.131) 4.835 33.698 ( 6.656 5.904 -4.351) 9.904 35.421 ( -1.683 -2.247 1.940) 3.412 35.483 ( 0.088 -1.173 -0.840) 1.446 35.694 ( -4.792 -3.081 4.817) 7.461 35.972 ( 4.281 -2.057 -3.279) 5.771 36.367 ( -2.807 -0.820 3.422) 4.502 36.484 ( 0.231 -1.591 2.014) 2.576 37.541 ( 1.394 9.579 31.653) 33.100 38.054 ( -0.704 12.926 -19.920) 23.757 ======================= Grid point 172 (87/114) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -15.745 -14.500 -7.808) 22.785 2.039 ( -18.416 -4.629 0.126) 18.989 2.403 ( -2.164 -1.948 3.450) 4.514 2.513 ( 8.216 -2.376 7.889) 11.635 2.682 ( -5.010 -4.000 -6.136) 8.874 2.850 ( -1.873 -6.846 -5.068) 8.721 2.973 ( -3.826 -16.445 1.680) 16.968 3.122 ( 4.935 -6.436 -10.974) 13.646 3.279 ( -1.468 -12.383 -5.201) 13.511 3.390 ( 9.431 3.930 2.778) 10.588 3.415 ( 7.647 1.437 4.136) 8.811 3.553 ( 2.157 -3.176 -0.570) 3.881 3.677 ( 1.238 5.710 1.799) 6.113 3.998 ( -0.044 2.134 -4.511) 4.991 4.031 ( -1.422 4.745 5.152) 7.147 4.472 ( 7.528 1.259 4.971) 9.108 4.655 ( -2.084 6.102 -5.653) 8.576 4.761 ( 2.916 6.543 3.399) 7.929 4.818 ( -4.935 1.851 2.178) 5.703 4.933 ( 1.476 1.667 5.589) 6.016 5.173 ( -0.438 2.173 -8.745) 9.022 5.255 ( 7.718 -0.195 3.191) 8.354 5.506 ( -6.964 -0.296 -6.217) 9.340 5.635 ( -0.482 5.158 2.297) 5.667 5.731 ( -0.035 -3.568 -2.024) 4.103 5.850 ( 1.868 -7.175 8.424) 11.222 6.091 ( -9.699 1.431 -0.905) 9.846 6.256 ( 1.250 -0.329 0.158) 1.302 6.303 ( 5.509 -0.498 -0.830) 5.593 6.444 ( 6.944 -1.141 1.241) 7.146 7.838 ( 1.197 1.762 -0.310) 2.153 7.945 ( -5.789 0.566 -4.671) 7.460 8.129 ( -4.163 2.387 -0.979) 4.897 8.447 ( 2.394 2.411 2.940) 4.493 8.924 ( -2.566 -0.622 -1.658) 3.117 9.075 ( -3.185 1.240 -0.176) 3.422 9.216 ( 4.644 1.881 7.402) 8.938 9.254 ( 2.520 -0.701 -1.714) 3.127 9.433 ( 2.606 -0.890 1.093) 2.962 9.458 ( 1.203 -3.144 -0.206) 3.373 9.772 ( -3.637 2.029 -0.455) 4.189 9.927 ( 1.363 -5.286 -3.858) 6.685 10.057 ( 2.615 6.618 0.485) 7.132 10.184 ( 1.128 -3.905 2.571) 4.810 10.440 ( -5.108 3.651 0.829) 6.333 10.553 ( 1.542 4.634 -2.120) 5.324 11.132 ( -4.981 4.003 6.559) 9.157 11.349 ( 1.380 1.745 -5.845) 6.254 11.374 ( -2.647 -2.703 2.174) 4.363 11.480 ( -2.446 3.089 4.180) 5.744 11.604 ( -0.194 -4.891 -5.012) 7.006 11.747 ( 4.747 -6.557 2.122) 8.369 12.216 ( -0.515 -0.067 -3.246) 3.288 12.408 ( -3.766 2.092 1.164) 4.463 12.442 ( 5.032 -0.986 0.401) 5.144 12.540 ( -1.350 -1.576 -1.398) 2.502 12.661 ( 1.544 4.219 -2.116) 4.966 12.756 ( 5.565 8.503 3.592) 10.778 13.389 ( -3.403 2.283 2.584) 4.844 13.599 ( 2.337 -0.775 -0.326) 2.483 13.624 ( -1.620 -7.513 -2.569) 8.104 13.814 ( 3.300 -3.186 -0.065) 4.587 14.296 ( -12.419 1.940 -3.742) 13.115 14.672 ( 0.269 -1.016 -0.898) 1.382 15.126 ( -3.190 -7.736 -1.318) 8.471 15.319 ( 7.388 -3.751 5.036) 9.697 15.455 ( 1.364 2.394 -0.268) 2.769 15.579 ( 3.965 1.955 0.216) 4.426 16.048 ( -4.462 -8.407 2.749) 9.907 16.214 ( -4.949 -7.577 -2.562) 9.406 16.302 ( -0.213 7.772 0.173) 7.777 16.768 ( 13.854 1.065 -2.332) 14.089 17.110 ( -0.789 -1.751 -2.134) 2.871 17.228 ( 2.584 -2.846 0.574) 3.887 17.389 ( -4.311 -0.129 -0.205) 4.318 17.523 ( 0.537 -2.562 0.773) 2.730 20.085 ( -3.627 -7.220 0.206) 8.082 20.171 ( 1.272 -0.683 -4.489) 4.716 20.544 ( -0.569 5.471 2.377) 5.992 20.631 ( 2.265 11.410 -2.758) 11.956 22.437 ( -3.140 -12.365 6.290) 14.224 22.672 ( 3.426 -11.521 -5.007) 13.021 22.956 ( -1.445 7.483 5.739) 9.541 23.144 ( 3.184 8.927 -3.480) 10.096 27.698 ( -4.535 -22.023 -0.166) 22.486 28.130 ( 14.820 -17.209 -1.072) 22.737 28.632 ( -3.154 20.482 -3.859) 21.080 28.723 ( 2.133 19.318 3.491) 19.746 30.917 ( -1.507 -7.356 0.169) 7.511 31.060 ( 2.600 -6.988 -1.404) 7.588 31.196 ( -6.018 4.123 1.424) 7.432 31.325 ( -7.230 -5.053 -5.883) 10.603 31.482 ( 1.008 7.020 -1.013) 7.163 31.598 ( -0.241 1.949 -7.065) 7.333 31.686 ( -2.996 1.892 11.610) 12.138 32.129 ( 11.824 -9.264 -11.991) 19.220 33.036 ( -5.018 -7.017 -0.973) 8.681 33.221 ( -0.144 -8.292 0.368) 8.301 33.440 ( -0.739 3.581 1.423) 3.923 33.608 ( 5.364 6.448 -3.251) 8.996 35.448 ( -2.050 -1.156 1.629) 2.862 35.506 ( 0.096 -1.462 -0.563) 1.570 35.744 ( -4.376 -2.850 6.073) 8.009 35.992 ( 1.512 0.447 -1.267) 2.023 36.378 ( -2.681 0.837 5.030) 5.761 36.505 ( -2.380 -0.495 2.569) 3.536 37.539 ( 0.381 7.831 11.175) 13.651 37.773 ( 4.506 5.547 -11.927) 13.904 ======================= Grid point 178 (88/114) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -25.336 -0.000 -2.616) 25.471 1.433 ( -26.376 -0.000 0.806) 26.388 1.819 ( 14.749 0.000 -4.272) 15.355 2.156 ( 12.108 0.000 -11.108) 16.432 2.269 ( -32.616 -0.000 0.421) 32.619 2.959 ( 5.127 0.000 -6.668) 8.411 2.993 ( -1.660 -0.000 6.028) 6.252 3.032 ( -2.610 -0.000 -2.033) 3.308 3.484 ( 4.150 0.000 1.386) 4.375 3.588 ( 0.929 0.000 -3.552) 3.672 3.671 ( 0.527 0.000 1.663) 1.744 3.677 ( -4.141 -0.000 -6.607) 7.798 3.752 ( 4.983 0.000 -0.414) 5.001 3.782 ( 11.873 0.000 2.229) 12.081 4.179 ( -5.099 -0.000 1.095) 5.216 4.351 ( 10.492 0.000 6.442) 12.311 4.773 ( -4.885 -0.000 6.405) 8.055 4.823 ( -1.299 -0.000 0.140) 1.306 4.943 ( -8.303 -0.000 -2.778) 8.756 5.051 ( 4.690 0.000 9.770) 10.837 5.113 ( -4.246 -0.000 -11.583) 12.337 5.145 ( -0.391 -0.000 -5.355) 5.369 5.207 ( 4.161 0.000 1.723) 4.504 5.311 ( 14.950 0.000 12.284) 19.349 5.772 ( -2.498 -0.000 -7.970) 8.352 5.789 ( 3.802 0.000 0.406) 3.824 6.147 ( -2.486 -0.000 3.090) 3.967 6.212 ( -0.469 -0.000 -4.397) 4.422 6.482 ( 2.810 0.000 5.059) 5.787 6.495 ( -0.977 -0.000 -3.413) 3.550 7.935 ( 6.040 0.000 6.975) 9.227 7.960 ( 1.557 0.000 -0.020) 1.557 8.364 ( -8.956 -0.000 -2.597) 9.325 8.510 ( 2.575 0.000 2.257) 3.424 8.923 ( 1.301 0.000 1.967) 2.358 9.011 ( -0.091 -0.000 -7.901) 7.902 9.111 ( -4.982 -0.000 -1.356) 5.163 9.250 ( -5.511 -0.000 -3.685) 6.629 9.381 ( 4.775 0.000 2.869) 5.571 9.394 ( 6.965 0.000 -2.326) 7.343 9.676 ( -8.732 -0.000 2.912) 9.205 9.950 ( 2.367 0.000 -4.267) 4.880 10.296 ( 1.099 0.000 5.660) 5.766 10.345 ( 0.262 0.000 0.298) 0.397 10.686 ( 0.996 0.000 4.614) 4.720 10.778 ( -0.157 -0.000 -10.356) 10.357 11.003 ( -1.731 -0.000 5.192) 5.473 11.286 ( 9.969 0.000 1.970) 10.162 11.323 ( -1.853 -0.000 3.030) 3.552 11.476 ( 1.128 0.000 -7.105) 7.194 11.791 ( -2.968 -0.000 3.157) 4.333 11.808 ( -8.969 -0.000 -6.523) 11.090 12.302 ( -5.613 -0.000 0.963) 5.695 12.495 ( 3.158 0.000 -2.495) 4.025 12.607 ( -5.115 -0.000 -6.191) 8.031 12.664 ( 7.149 0.000 11.054) 13.164 12.879 ( 2.380 0.000 -3.470) 4.207 12.909 ( 1.623 0.000 -1.135) 1.981 13.372 ( 0.674 0.000 -1.561) 1.700 13.420 ( 4.805 0.000 4.223) 6.397 13.558 ( 0.710 0.000 1.263) 1.449 13.583 ( -0.084 -0.000 -1.879) 1.881 14.558 ( 0.639 0.000 -1.193) 1.353 14.575 ( 1.786 0.000 -0.099) 1.788 14.886 ( -2.484 -0.000 5.212) 5.773 14.912 ( -7.307 -0.000 -10.214) 12.558 15.047 ( 8.752 0.000 6.263) 10.763 15.113 ( 0.177 0.000 -8.649) 8.651 16.044 ( -11.085 -0.000 -13.834) 17.727 16.084 ( 5.122 0.000 11.103) 12.227 16.563 ( 2.925 0.000 0.154) 2.929 16.571 ( 2.597 0.000 -1.190) 2.857 16.975 ( -0.001 -0.000 1.140) 1.140 16.992 ( 0.373 0.000 -2.173) 2.204 17.303 ( -5.540 -0.000 -5.599) 7.877 17.308 ( 2.466 0.000 6.530) 6.980 19.972 ( -8.475 -0.000 -3.211) 9.063 20.084 ( 4.008 0.000 4.070) 5.712 20.972 ( -2.720 -0.000 1.150) 2.953 21.066 ( 1.552 0.000 0.189) 1.564 21.959 ( -1.819 -0.000 8.285) 8.483 22.194 ( 2.333 0.000 -6.242) 6.664 23.250 ( -2.525 -0.000 3.211) 4.085 23.417 ( 3.035 0.000 -3.181) 4.396 26.965 ( -0.208 -0.000 0.197) 0.287 26.969 ( -0.055 -0.000 -0.001) 0.055 29.456 ( -0.200 -0.000 1.049) 1.068 29.464 ( -2.202 -0.000 -2.141) 3.071 30.754 ( 0.165 0.000 1.612) 1.620 30.802 ( 3.161 0.000 -0.002) 3.161 30.925 ( 2.679 0.000 23.995) 24.144 31.429 ( 1.943 0.000 -18.849) 18.949 31.450 ( 1.450 0.000 4.816) 5.030 31.529 ( -8.350 -0.000 -22.837) 24.316 32.050 ( -5.733 -0.000 -1.549) 5.939 32.164 ( -0.959 -0.000 -3.958) 4.073 32.647 ( 0.198 0.000 1.363) 1.378 32.845 ( -1.592 -0.000 -28.651) 28.696 33.573 ( -1.108 -0.000 3.437) 3.611 33.813 ( 7.813 0.000 -5.241) 9.408 35.362 ( -1.697 -0.000 2.960) 3.412 35.475 ( 0.636 0.000 -2.634) 2.709 35.630 ( -3.474 -0.000 2.968) 4.569 35.874 ( 6.374 0.000 -3.535) 7.289 36.334 ( -6.502 -0.000 0.620) 6.532 36.467 ( 3.327 0.000 3.807) 5.056 37.875 ( 9.689 0.000 47.726) 48.699 38.323 ( -4.370 -0.000 -22.011) 22.440 ======================= Grid point 179 (89/114) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -21.544 -20.859 -2.878) 30.125 1.432 ( -19.657 -24.826 11.493) 33.687 1.971 ( -24.138 -6.463 5.689) 25.628 2.114 ( 8.433 -8.160 5.537) 12.976 2.299 ( 5.602 -10.702 -6.359) 13.651 2.866 ( -11.686 3.792 -4.379) 13.043 2.897 ( -2.008 7.542 3.490) 8.549 2.966 ( 4.683 7.988 -5.800) 10.926 3.452 ( 0.880 7.436 -7.996) 10.954 3.487 ( 3.366 2.348 2.479) 4.795 3.584 ( -0.337 3.637 -4.465) 5.768 3.648 ( -0.564 1.294 -1.038) 1.752 3.812 ( 5.070 1.872 -4.322) 6.920 3.930 ( 8.416 -4.950 1.879) 9.943 4.141 ( -2.685 0.990 0.129) 2.865 4.482 ( 8.620 -2.268 4.536) 10.002 4.767 ( -5.123 -0.867 3.430) 6.226 4.884 ( -0.701 -3.421 -0.537) 3.533 4.901 ( -4.366 0.029 0.168) 4.369 4.990 ( 0.838 0.180 -8.114) 8.159 5.141 ( 1.994 -1.659 -3.559) 4.404 5.221 ( 6.251 -5.113 6.688) 10.486 5.306 ( 5.731 -2.667 5.290) 8.243 5.493 ( 9.477 -1.554 9.980) 13.851 5.716 ( 0.718 -0.826 -5.210) 5.324 5.779 ( 0.746 2.672 -0.708) 2.863 6.113 ( -7.641 1.024 0.934) 7.766 6.217 ( 0.899 -1.980 -3.381) 4.020 6.435 ( 2.044 5.004 -0.529) 5.431 6.501 ( 3.669 2.533 3.193) 5.484 7.922 ( 0.472 3.159 1.785) 3.659 7.997 ( 1.407 2.877 0.914) 3.331 8.268 ( -3.293 3.872 -0.665) 5.126 8.511 ( -1.065 1.015 0.519) 1.560 8.929 ( -4.010 0.716 -0.867) 4.164 9.041 ( 1.343 -5.695 4.980) 7.683 9.118 ( 2.498 -3.210 -2.846) 4.965 9.181 ( -5.807 -0.388 -3.402) 6.741 9.422 ( 4.171 1.054 2.672) 5.064 9.442 ( 6.745 -0.028 -1.314) 6.872 9.668 ( -6.143 -3.184 3.486) 7.748 9.931 ( -2.327 -0.749 -6.806) 7.232 10.255 ( -0.642 7.875 4.659) 9.172 10.323 ( 2.586 3.609 0.701) 4.495 10.643 ( -3.748 5.703 4.741) 8.310 10.713 ( 4.652 3.382 -4.789) 7.484 11.118 ( 3.189 -6.922 5.843) 9.603 11.318 ( -2.181 1.863 4.105) 5.008 11.407 ( 7.618 -3.052 1.105) 8.281 11.426 ( 1.467 1.671 -6.911) 7.260 11.664 ( -6.502 4.191 1.993) 7.988 11.756 ( -4.536 4.416 0.380) 6.342 12.202 ( -6.256 2.708 0.798) 6.864 12.456 ( 0.300 2.221 -4.358) 4.900 12.490 ( -3.964 3.789 -4.720) 7.235 12.680 ( 2.201 6.601 3.803) 7.930 12.844 ( 1.169 3.397 -4.648) 5.874 12.910 ( 4.350 1.513 1.502) 4.845 13.384 ( -0.414 -2.457 0.990) 2.681 13.529 ( -1.074 2.838 0.842) 3.149 13.572 ( 2.944 -4.306 3.102) 6.069 13.613 ( 5.939 -4.226 -0.766) 7.329 14.404 ( -10.493 6.205 -8.078) 14.624 14.581 ( 0.310 -0.608 -0.414) 0.798 14.872 ( -4.969 -7.314 1.115) 8.912 15.110 ( 3.649 -5.521 1.280) 6.740 15.218 ( 3.718 -16.189 -4.722) 17.269 15.266 ( 7.446 -20.065 -6.518) 22.373 15.902 ( -10.109 -1.238 -8.039) 12.975 16.165 ( 3.546 2.893 8.897) 10.005 16.557 ( 4.113 4.281 0.159) 5.939 16.616 ( 6.239 -5.071 -3.142) 8.632 16.967 ( -2.026 -2.607 -2.213) 3.974 17.074 ( 1.871 -5.889 -0.918) 6.247 17.280 ( -4.084 -4.135 -2.820) 6.459 17.387 ( 1.019 -2.640 5.815) 6.467 19.909 ( -7.675 -2.374 -2.644) 8.458 20.117 ( 1.515 0.928 1.638) 2.417 20.875 ( -2.799 8.358 1.651) 8.967 21.009 ( 1.690 7.306 -1.260) 7.604 22.061 ( -1.244 -6.538 9.393) 11.512 22.263 ( 3.241 -8.443 -5.595) 10.634 23.201 ( -1.728 5.184 5.413) 7.691 23.393 ( 3.907 3.818 -3.286) 6.375 27.061 ( -1.339 -11.161 0.220) 11.243 27.238 ( 9.116 -25.511 -1.381) 27.126 29.310 ( -2.812 13.758 -2.053) 14.192 29.358 ( -0.082 11.459 2.414) 11.711 30.745 ( -2.126 -0.367 -4.288) 4.800 30.857 ( 3.491 -3.489 -1.181) 5.075 31.093 ( -5.877 -5.480 5.216) 9.580 31.118 ( -15.783 -4.511 -25.240) 30.108 31.514 ( 2.769 -2.007 4.370) 5.549 31.624 ( 6.597 -6.283 3.041) 9.604 31.942 ( -5.031 3.770 -5.128) 8.113 32.015 ( -1.799 11.330 -1.713) 11.599 32.724 ( -4.148 -7.707 -4.270) 9.738 32.832 ( -1.614 -11.401 -5.759) 12.875 33.564 ( -0.569 2.208 2.582) 3.444 33.814 ( 7.904 3.486 -4.973) 9.968 35.381 ( -1.785 -1.705 2.529) 3.534 35.464 ( 0.186 -0.232 -1.856) 1.880 35.642 ( -3.215 -1.953 3.919) 5.432 35.938 ( 5.613 -3.037 -3.855) 7.456 36.312 ( -4.066 -2.631 -0.117) 4.844 36.497 ( 1.036 0.664 2.075) 2.412 38.038 ( 7.006 17.127 35.171) 39.742 38.127 ( 2.386 7.704 -15.924) 17.850 ======================= Grid point 180 (90/114) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -18.062 -18.711 -0.873) 26.021 1.741 ( -26.612 -11.987 8.260) 30.333 2.204 ( -2.996 -29.905 14.266) 33.269 2.417 ( 4.033 -5.265 4.844) 8.212 2.534 ( 2.370 -14.556 -5.070) 15.595 2.655 ( -11.682 -1.220 -5.017) 12.772 2.804 ( 0.872 4.623 -5.311) 7.095 2.877 ( -2.286 -6.148 1.424) 6.713 3.312 ( 4.591 5.912 -6.641) 10.007 3.506 ( 1.969 3.635 -2.619) 4.894 3.542 ( 7.701 -1.504 2.842) 8.346 3.612 ( 3.759 5.325 6.342) 9.094 3.755 ( 3.775 3.680 -5.594) 7.687 3.999 ( 0.180 0.936 -1.501) 1.778 4.126 ( 1.232 0.712 2.545) 2.916 4.550 ( 1.660 2.169 -0.545) 2.785 4.734 ( -1.377 6.232 -5.593) 8.487 4.781 ( -0.451 0.215 -1.817) 1.884 4.887 ( -0.711 2.993 1.635) 3.484 5.090 ( 10.082 -1.383 5.025) 11.350 5.144 ( 1.962 0.209 -7.789) 8.035 5.340 ( 2.689 -0.182 4.253) 5.035 5.399 ( -0.176 -0.990 1.794) 2.057 5.603 ( -1.706 -6.776 -0.254) 6.993 5.722 ( 0.033 3.075 -0.565) 3.127 5.816 ( 5.286 -3.851 8.380) 10.630 6.005 ( -11.672 1.323 -1.580) 11.853 6.234 ( 2.056 -1.231 -5.056) 5.595 6.378 ( 3.470 3.662 2.691) 5.717 6.518 ( 7.415 1.220 1.145) 7.602 7.854 ( -10.492 0.666 -5.024) 11.652 7.920 ( 4.450 4.912 2.065) 6.942 8.179 ( -1.022 5.106 -0.055) 5.207 8.479 ( -3.362 0.132 -0.852) 3.471 8.893 ( -1.023 -0.331 2.546) 2.764 9.076 ( -3.010 1.689 -0.321) 3.467 9.216 ( 0.492 -4.987 -0.948) 5.100 9.256 ( 4.067 -5.752 5.797) 9.123 9.425 ( -2.178 0.734 1.176) 2.582 9.487 ( 8.268 1.322 1.663) 8.537 9.706 ( -2.989 -2.443 -0.555) 3.900 9.880 ( -0.974 -0.880 -4.341) 4.536 10.132 ( -4.201 3.772 0.192) 5.649 10.277 ( 4.692 4.809 1.622) 6.912 10.500 ( -7.241 7.728 4.337) 11.444 10.660 ( 4.940 5.912 -1.169) 7.792 11.207 ( -4.230 5.143 4.106) 7.823 11.301 ( 1.031 -3.688 2.238) 4.436 11.390 ( 1.895 2.265 -1.250) 3.206 11.480 ( 1.872 -2.038 -1.702) 3.249 11.579 ( -4.385 3.095 4.409) 6.947 11.714 ( 3.218 -2.162 2.972) 4.885 12.176 ( -1.940 -2.686 -1.186) 3.519 12.388 ( -3.344 0.948 -3.174) 4.707 12.429 ( 0.396 1.037 0.596) 1.260 12.605 ( 2.109 2.807 -2.538) 4.332 12.734 ( 0.485 5.332 -4.080) 6.731 12.916 ( 4.663 3.535 1.188) 5.971 13.438 ( -3.898 1.357 5.025) 6.503 13.476 ( 1.105 -2.569 -2.292) 3.616 13.595 ( 0.442 -1.386 -3.193) 3.509 13.815 ( 8.562 -4.761 6.002) 11.489 14.194 ( -12.501 2.295 -6.563) 14.304 14.611 ( -1.325 -2.897 -0.389) 3.210 14.975 ( -2.556 -6.613 1.031) 7.164 15.292 ( 6.985 -8.431 2.459) 11.221 15.418 ( 0.743 -8.834 -1.677) 9.022 15.605 ( 8.903 -5.057 -8.175) 13.102 15.859 ( -7.615 -7.027 0.895) 10.401 16.144 ( -1.725 3.103 5.016) 6.145 16.465 ( 2.591 8.606 -0.470) 9.000 16.797 ( 13.488 -7.138 -7.284) 16.910 17.033 ( 1.150 -5.781 -3.639) 6.927 17.176 ( 1.185 -4.518 -1.213) 4.826 17.321 ( -3.907 -3.866 -0.459) 5.515 17.467 ( -0.940 -3.297 3.042) 4.584 19.922 ( -5.820 -6.200 -1.253) 8.595 20.113 ( -0.114 -1.578 -3.935) 4.241 20.696 ( -2.324 9.753 2.877) 10.431 20.842 ( 2.015 11.124 -2.317) 11.540 22.254 ( -1.571 -10.100 8.846) 13.518 22.452 ( 3.724 -12.226 -4.683) 13.611 23.116 ( -0.965 7.069 5.570) 9.051 23.302 ( 4.024 7.579 -3.595) 9.303 27.312 ( -2.328 -17.807 0.179) 17.960 27.853 ( 20.733 -27.561 -7.020) 35.196 28.941 ( -4.460 20.414 -4.675) 21.413 29.098 ( -1.425 18.295 4.253) 18.836 30.738 ( -6.802 -8.936 -7.491) 13.500 30.956 ( 2.918 -5.630 -1.680) 6.560 31.013 ( -7.245 -8.427 -12.919) 17.042 31.225 ( -4.589 -3.878 7.119) 9.315 31.587 ( 0.896 0.080 4.935) 5.017 31.672 ( 0.058 7.575 1.255) 7.678 31.797 ( -2.579 8.607 1.802) 9.164 31.955 ( 5.610 -10.572 -5.801) 13.300 32.830 ( -5.218 -9.944 -1.206) 11.294 33.030 ( -1.691 -11.881 0.694) 12.021 33.517 ( -0.617 3.886 2.038) 4.431 33.757 ( 7.232 6.319 -4.539) 10.622 35.413 ( -1.840 -1.848 1.776) 3.156 35.473 ( 0.021 -1.494 -0.798) 1.694 35.691 ( -3.475 -3.252 5.756) 7.468 35.984 ( 1.236 -1.025 -2.689) 3.132 36.368 ( 0.551 -3.734 0.448) 3.801 36.483 ( -2.111 0.330 -0.753) 2.265 37.877 ( 1.097 12.330 7.413) 14.429 37.892 ( 3.321 18.015 2.562) 18.497 ======================= Grid point 187 (91/114) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -21.150 -0.000 12.493) 24.564 1.130 ( -24.306 -0.000 17.687) 30.060 1.758 ( -34.009 -0.000 19.898) 39.403 2.118 ( 13.515 0.000 5.357) 14.538 2.290 ( 10.191 0.000 3.896) 10.911 2.744 ( -18.143 -0.000 -6.713) 19.345 2.992 ( -4.597 -0.000 2.964) 5.470 3.100 ( 9.943 0.000 -2.529) 10.259 3.484 ( -5.052 -0.000 -11.962) 12.985 3.534 ( -2.316 -0.000 -6.352) 6.761 3.562 ( 1.956 0.000 -0.751) 2.095 3.592 ( 3.379 0.000 -9.437) 10.024 3.829 ( 1.693 0.000 0.083) 1.695 3.997 ( 13.656 0.000 -0.913) 13.686 4.129 ( -1.736 -0.000 0.112) 1.740 4.486 ( 0.407 0.000 -2.933) 2.961 4.750 ( -6.421 -0.000 6.379) 9.051 4.794 ( 1.783 0.000 -4.307) 4.661 4.828 ( -0.802 -0.000 1.711) 1.890 4.963 ( 1.995 0.000 -9.097) 9.313 5.146 ( 4.547 0.000 -1.650) 4.837 5.311 ( 9.930 0.000 12.175) 15.712 5.427 ( 6.725 0.000 8.592) 10.911 5.643 ( 11.314 0.000 8.109) 13.919 5.682 ( 5.144 0.000 -2.214) 5.600 5.775 ( -3.544 -0.000 -5.735) 6.742 6.072 ( -8.151 -0.000 2.792) 8.616 6.198 ( 2.578 0.000 -2.143) 3.353 6.507 ( 3.352 0.000 1.137) 3.540 6.559 ( 1.873 0.000 3.068) 3.595 7.879 ( -10.024 -0.000 -3.111) 10.496 8.146 ( 9.320 0.000 3.202) 9.855 8.296 ( 0.283 0.000 0.441) 0.524 8.470 ( -6.513 -0.000 -6.036) 8.880 8.961 ( 1.980 0.000 -0.363) 2.013 9.011 ( 1.359 0.000 13.347) 13.417 9.086 ( 4.100 0.000 -3.104) 5.143 9.125 ( -5.297 -0.000 -0.240) 5.302 9.472 ( 3.941 0.000 -0.800) 4.022 9.488 ( 6.376 0.000 1.742) 6.609 9.634 ( -2.984 -0.000 6.937) 7.552 9.865 ( -3.389 -0.000 -4.581) 5.699 10.315 ( -7.938 -0.000 -5.509) 9.662 10.350 ( -0.601 -0.000 -1.519) 1.634 10.684 ( -6.372 -0.000 5.428) 8.370 10.840 ( 16.897 0.000 4.857) 17.581 11.089 ( 4.940 0.000 2.094) 5.365 11.369 ( -0.475 -0.000 8.305) 8.318 11.419 ( 0.864 0.000 -5.571) 5.638 11.462 ( 7.907 0.000 -0.910) 7.959 11.692 ( -1.359 -0.000 8.334) 8.444 11.760 ( -6.563 -0.000 3.535) 7.455 12.166 ( -7.588 -0.000 -3.746) 8.462 12.437 ( -1.655 -0.000 -6.496) 6.703 12.483 ( -0.643 -0.000 -4.218) 4.267 12.829 ( 2.231 0.000 -9.362) 9.624 12.882 ( 0.789 0.000 5.484) 5.541 12.942 ( 1.848 0.000 -0.341) 1.879 13.409 ( 4.765 0.000 -0.976) 4.864 13.486 ( -6.216 -0.000 1.096) 6.312 13.582 ( 2.423 0.000 -1.580) 2.893 13.625 ( 7.673 0.000 5.068) 9.196 14.413 ( -20.256 -0.000 -22.840) 30.529 14.545 ( 0.598 0.000 -2.769) 2.833 14.593 ( 1.060 0.000 -2.384) 2.609 14.911 ( -1.505 -0.000 4.822) 5.051 15.107 ( 4.873 0.000 -2.141) 5.322 15.113 ( -1.572 -0.000 0.657) 1.703 15.739 ( -12.027 -0.000 -5.407) 13.186 16.292 ( 2.833 0.000 8.017) 8.502 16.590 ( 1.023 0.000 1.242) 1.609 16.624 ( 4.727 0.000 -0.060) 4.727 16.977 ( -0.471 -0.000 0.525) 0.705 16.985 ( 2.580 0.000 -2.631) 3.684 17.193 ( -2.989 -0.000 -1.849) 3.514 17.411 ( -0.047 -0.000 7.098) 7.098 19.809 ( -7.725 -0.000 -2.805) 8.218 20.159 ( 0.323 0.000 1.447) 1.482 20.943 ( -2.548 -0.000 1.096) 2.774 21.086 ( 1.499 0.000 -1.255) 1.955 22.065 ( 1.981 0.000 10.070) 10.263 22.178 ( 3.665 0.000 -4.827) 6.061 23.267 ( -1.512 -0.000 4.798) 5.030 23.435 ( 3.205 0.000 -2.685) 4.181 26.961 ( -0.357 -0.000 -0.036) 0.359 26.967 ( -0.102 -0.000 -0.169) 0.198 29.430 ( -1.407 -0.000 -0.470) 1.483 29.475 ( -0.439 -0.000 3.090) 3.121 30.560 ( -25.333 -0.000 -38.875) 46.401 30.769 ( 0.890 0.000 -0.620) 1.085 30.870 ( 0.696 0.000 -4.160) 4.218 31.058 ( -7.355 -0.000 9.345) 11.892 31.556 ( 4.282 0.000 -1.721) 4.615 31.607 ( 0.372 0.000 15.775) 15.780 31.943 ( -5.985 -0.000 -0.367) 5.996 32.119 ( -2.363 -0.000 -0.087) 2.364 32.597 ( -4.908 -0.000 -6.085) 7.818 32.674 ( -0.600 -0.000 3.805) 3.852 33.592 ( -0.532 -0.000 1.914) 1.987 33.879 ( 8.067 0.000 -5.253) 9.627 35.369 ( -1.681 -0.000 3.051) 3.483 35.453 ( 0.544 0.000 -2.591) 2.648 35.623 ( -2.613 -0.000 3.753) 4.573 35.933 ( 6.323 0.000 -3.964) 7.463 36.244 ( -4.671 -0.000 -0.831) 4.744 36.517 ( -0.583 -0.000 0.397) 0.706 38.093 ( 5.724 0.000 -18.537) 19.400 38.566 ( 17.061 0.000 28.972) 33.622 ======================= Grid point 188 (92/114) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -14.400 -16.216 15.107) 26.430 1.294 ( -18.443 -22.461 16.832) 33.585 1.779 ( -19.981 -16.107 30.219) 39.647 2.311 ( 8.663 -4.868 0.590) 9.955 2.475 ( -0.669 -6.428 13.169) 14.670 2.541 ( -7.747 1.674 -7.379) 10.829 2.857 ( -5.542 7.666 1.365) 9.558 2.954 ( 3.149 12.879 -10.700) 17.037 3.397 ( 6.377 0.825 -6.512) 9.151 3.525 ( 1.902 -1.797 -7.499) 7.943 3.567 ( 1.399 -1.541 3.018) 3.666 3.651 ( 2.391 -3.463 -2.948) 5.138 3.831 ( 0.767 1.607 -2.397) 2.986 4.021 ( 6.071 3.165 -4.785) 8.353 4.135 ( 0.170 -0.478 3.169) 3.209 4.516 ( -0.790 -4.872 -6.323) 8.021 4.733 ( -3.241 0.117 1.471) 3.561 4.792 ( -1.949 -0.305 -6.971) 7.245 4.895 ( 3.432 0.246 -3.760) 5.097 5.002 ( 4.217 -8.016 2.396) 9.369 5.171 ( 5.419 0.470 -2.900) 6.164 5.375 ( 3.071 3.044 5.271) 6.818 5.468 ( -1.234 1.074 4.775) 5.047 5.633 ( 1.584 4.363 1.494) 4.876 5.705 ( -0.215 0.553 -3.663) 3.711 5.867 ( 11.332 -3.521 7.383) 13.976 5.999 ( -6.156 4.946 4.425) 9.052 6.215 ( 2.529 -0.512 -1.885) 3.196 6.490 ( 2.195 4.417 2.150) 5.380 6.589 ( 4.308 0.449 1.405) 4.553 7.771 ( -9.853 0.975 -2.257) 10.155 8.097 ( 4.262 8.555 2.186) 9.804 8.268 ( -1.573 5.119 -1.825) 5.658 8.377 ( -9.586 -2.434 -6.839) 12.025 8.956 ( 3.935 2.055 3.491) 5.647 9.081 ( -1.322 -0.660 0.623) 1.604 9.111 ( -0.981 -2.399 4.340) 5.055 9.205 ( 3.422 -5.366 4.721) 7.924 9.459 ( 1.856 2.270 0.438) 2.965 9.576 ( 8.734 -0.600 2.506) 9.106 9.673 ( -0.652 -1.500 4.477) 4.767 9.828 ( -2.474 0.264 -2.456) 3.496 10.147 ( -10.091 3.555 -2.856) 11.074 10.322 ( -1.411 0.608 -2.917) 3.297 10.615 ( -7.151 5.632 6.758) 11.337 10.843 ( 7.458 9.614 -0.658) 12.186 11.251 ( 5.864 -5.385 0.322) 7.968 11.318 ( -1.311 5.575 0.872) 5.793 11.423 ( -1.977 0.229 3.080) 3.667 11.481 ( 3.479 0.378 -1.711) 3.895 11.648 ( -6.011 6.245 2.168) 8.935 11.769 ( 6.402 1.904 12.824) 14.460 12.108 ( -3.632 -0.848 -1.223) 3.925 12.415 ( -0.481 4.905 -2.733) 5.636 12.442 ( 3.842 -2.825 0.584) 4.805 12.624 ( -7.228 6.520 -5.119) 10.998 12.798 ( 0.949 3.241 -5.806) 6.717 12.960 ( 1.146 -0.568 -2.312) 2.642 13.419 ( 0.446 0.260 3.499) 3.537 13.490 ( -1.613 -0.787 -2.276) 2.899 13.579 ( 1.343 1.362 0.018) 1.913 13.785 ( 4.463 -7.605 3.557) 9.508 14.190 ( -0.235 5.659 -0.471) 5.684 14.577 ( 0.126 0.119 -0.884) 0.901 14.830 ( -1.312 -11.455 0.934) 11.568 15.197 ( 6.971 -8.637 0.982) 11.142 15.201 ( -1.726 -9.955 -2.335) 10.370 15.295 ( 13.329 -32.377 -13.770) 37.624 15.688 ( -9.408 -5.243 -1.442) 10.866 16.263 ( -2.564 5.104 3.078) 6.488 16.599 ( 2.681 3.128 -2.086) 4.618 16.682 ( 6.133 -4.750 -1.761) 7.954 16.948 ( 2.192 -1.499 -0.919) 2.810 17.082 ( 0.939 -5.462 -1.344) 5.703 17.218 ( -1.804 -4.321 0.395) 4.699 17.448 ( -2.134 -0.881 5.685) 6.136 19.775 ( -5.809 -3.798 -2.016) 7.227 20.103 ( -3.139 3.363 -2.740) 5.355 20.854 ( -2.403 7.706 1.978) 8.310 21.012 ( 1.019 7.490 -2.196) 7.872 22.172 ( 1.173 -4.391 8.769) 9.877 22.267 ( 4.153 -8.560 -3.726) 10.218 23.237 ( -2.141 4.356 4.464) 6.594 23.416 ( 3.592 3.643 -3.674) 6.298 27.049 ( -0.534 -10.143 0.225) 10.160 27.353 ( 11.589 -34.879 -11.303) 38.452 29.220 ( -5.113 16.786 -3.205) 17.838 29.386 ( -1.172 11.857 4.202) 12.634 30.403 ( -6.435 -12.651 -6.666) 15.680 30.832 ( 1.678 -5.722 -3.122) 6.731 30.889 ( 1.960 -2.840 -2.389) 4.197 31.111 ( -6.921 -7.203 6.043) 11.675 31.584 ( -0.441 -1.966 1.916) 2.780 31.753 ( -1.791 -7.104 2.488) 7.738 31.825 ( -0.849 7.663 1.715) 7.898 32.000 ( -2.689 9.095 3.083) 9.973 32.625 ( -3.628 -7.942 0.874) 8.775 32.812 ( -1.634 -10.991 2.657) 11.425 33.577 ( -0.910 2.166 1.683) 2.890 33.877 ( 7.466 3.591 -5.400) 9.889 35.384 ( -1.544 -1.129 2.620) 3.244 35.450 ( 0.619 -0.655 -1.592) 1.830 35.646 ( -2.953 -2.242 4.963) 6.195 35.963 ( 3.081 -0.650 -3.898) 5.011 36.264 ( -0.610 -5.856 -2.022) 6.225 36.482 ( -2.953 1.777 -2.162) 4.069 38.010 ( 10.968 6.145 -13.630) 18.543 38.479 ( -1.142 28.210 18.533) 33.773 ======================= Grid point 196 (93/114) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -4.024 -0.000 26.150) 26.458 1.106 ( -13.913 -0.000 29.114) 32.267 1.694 ( -16.133 -0.000 39.631) 42.789 2.323 ( -20.121 -0.000 -0.121) 20.121 2.428 ( 12.491 0.000 10.779) 16.499 2.587 ( 12.995 0.000 4.746) 13.835 2.933 ( -4.598 -0.000 -0.520) 4.627 3.175 ( -5.753 -0.000 -25.226) 25.874 3.186 ( 5.075 0.000 -6.599) 8.325 3.406 ( 1.010 0.000 -12.564) 12.604 3.603 ( -0.213 -0.000 4.367) 4.372 3.615 ( 6.850 0.000 -0.870) 6.905 3.825 ( -0.242 -0.000 -0.664) 0.707 4.099 ( 2.561 0.000 0.419) 2.595 4.185 ( 4.566 0.000 0.851) 4.644 4.376 ( -2.730 -0.000 -7.449) 7.933 4.734 ( -4.939 -0.000 6.899) 8.485 4.737 ( 1.814 0.000 -9.120) 9.298 4.934 ( 3.917 0.000 6.247) 7.373 4.957 ( 4.678 0.000 -5.227) 7.015 5.203 ( 4.245 0.000 -2.083) 4.728 5.419 ( -7.778 -0.000 -2.450) 8.155 5.507 ( -2.071 -0.000 8.022) 8.285 5.536 ( -3.986 -0.000 -11.683) 12.344 5.873 ( 10.181 0.000 2.073) 10.390 5.943 ( 13.214 0.000 9.181) 16.090 6.067 ( -1.739 -0.000 6.110) 6.353 6.228 ( 2.123 0.000 0.404) 2.161 6.563 ( 0.834 0.000 1.893) 2.068 6.617 ( 1.809 0.000 1.276) 2.214 7.708 ( -6.748 -0.000 0.754) 6.790 8.202 ( -12.062 -0.000 -8.133) 14.548 8.256 ( 0.705 0.000 0.199) 0.732 8.261 ( -2.554 -0.000 -3.996) 4.742 9.005 ( 5.363 0.000 -0.155) 5.365 9.071 ( 1.141 0.000 0.029) 1.142 9.104 ( -3.154 -0.000 5.558) 6.391 9.246 ( 3.167 0.000 5.390) 6.252 9.520 ( 3.087 0.000 1.925) 3.638 9.630 ( 7.941 0.000 0.248) 7.945 9.683 ( -0.645 -0.000 3.318) 3.380 9.842 ( 2.600 0.000 1.676) 3.093 10.067 ( -10.750 -0.000 -4.159) 11.526 10.287 ( -3.190 -0.000 -3.148) 4.482 10.645 ( -7.717 -0.000 6.974) 10.401 10.995 ( -1.818 -0.000 -9.293) 9.469 11.165 ( 4.510 0.000 -1.102) 4.642 11.375 ( -1.571 -0.000 -1.096) 1.916 11.469 ( -2.814 -0.000 10.724) 11.087 11.481 ( 3.857 0.000 -6.267) 7.359 11.655 ( -7.344 -0.000 -1.020) 7.415 11.936 ( 0.267 0.000 1.806) 1.826 12.195 ( 18.079 0.000 13.230) 22.403 12.420 ( 5.351 0.000 0.540) 5.378 12.472 ( 2.049 0.000 -1.067) 2.310 12.588 ( -12.090 -0.000 -6.757) 13.850 12.816 ( -0.146 -0.000 -7.282) 7.284 12.935 ( -0.892 -0.000 -2.221) 2.393 13.450 ( -2.159 -0.000 5.735) 6.128 13.462 ( 3.698 0.000 -1.890) 4.153 13.615 ( 3.413 0.000 -1.227) 3.626 13.704 ( -2.892 -0.000 -1.152) 3.113 14.422 ( 27.268 0.000 13.992) 30.648 14.517 ( 0.552 0.000 -3.604) 3.646 14.585 ( 2.404 0.000 -2.135) 3.215 14.940 ( -1.718 -0.000 4.521) 4.837 15.102 ( -0.460 -0.000 2.309) 2.355 15.178 ( 5.739 0.000 0.026) 5.739 15.573 ( -5.233 -0.000 0.070) 5.233 16.244 ( -11.036 -0.000 -3.463) 11.567 16.668 ( 3.057 0.000 4.377) 5.339 16.699 ( 3.808 0.000 1.293) 4.022 16.983 ( 0.056 0.000 0.411) 0.414 17.010 ( 3.672 0.000 -2.037) 4.199 17.174 ( 1.326 0.000 1.716) 2.169 17.446 ( -4.217 -0.000 4.609) 6.247 19.692 ( -3.655 -0.000 -1.461) 3.937 20.086 ( -6.428 -0.000 -5.819) 8.671 20.923 ( -1.635 -0.000 1.341) 2.115 21.073 ( -0.136 -0.000 -2.947) 2.951 22.188 ( 1.021 0.000 3.847) 3.980 22.198 ( 4.556 0.000 -2.992) 5.450 23.280 ( -3.389 -0.000 3.556) 4.913 23.447 ( 2.396 0.000 -3.009) 3.846 26.957 ( -0.157 -0.000 0.004) 0.157 26.963 ( -0.051 -0.000 -0.244) 0.249 29.359 ( -2.856 -0.000 0.135) 2.860 29.503 ( -1.109 -0.000 3.407) 3.583 30.366 ( 27.382 0.000 11.919) 29.864 30.763 ( -0.392 -0.000 -1.225) 1.286 30.859 ( 0.971 0.000 -2.967) 3.122 30.997 ( -9.101 -0.000 4.122) 9.991 31.554 ( 1.269 0.000 -5.505) 5.649 31.677 ( -12.362 -0.000 10.463) 16.195 31.914 ( 1.187 0.000 3.376) 3.578 32.083 ( -2.667 -0.000 0.641) 2.743 32.543 ( -1.422 -0.000 4.247) 4.479 32.710 ( -0.667 -0.000 4.232) 4.285 33.596 ( -1.578 -0.000 1.647) 2.281 33.932 ( 6.909 0.000 -6.301) 9.351 35.379 ( -1.517 -0.000 3.190) 3.532 35.442 ( 1.465 0.000 -1.880) 2.383 35.629 ( -2.923 -0.000 4.823) 5.640 35.965 ( 4.335 0.000 -5.315) 6.859 36.179 ( -2.409 -0.000 -0.831) 2.548 36.455 ( -4.033 -0.000 -4.297) 5.894 38.106 ( 16.060 0.000 -9.434) 18.625 38.790 ( -11.387 -0.000 -2.108) 11.580 ======================= Grid point 197 (94/114) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -7.562 -0.000 2.306) 7.906 1.697 ( 7.562 0.000 -2.306) 7.906 2.051 ( -0.200 -0.000 -16.259) 16.260 2.051 ( 0.200 0.000 16.259) 16.260 2.741 ( -0.338 -0.000 -18.100) 18.103 2.741 ( 0.338 0.000 18.100) 18.103 2.855 ( -4.085 -0.000 1.035) 4.214 2.855 ( 4.085 0.000 -1.035) 4.214 3.045 ( -2.528 -0.000 -14.508) 14.727 3.045 ( 2.528 0.000 14.508) 14.727 3.653 ( 2.660 0.000 -1.003) 2.842 3.653 ( -2.660 -0.000 1.003) 2.842 3.969 ( -6.467 -0.000 -1.432) 6.623 3.969 ( 6.467 0.000 1.432) 6.623 4.452 ( 4.601 0.000 -2.221) 5.109 4.452 ( -4.601 -0.000 2.221) 5.109 4.548 ( -9.458 -0.000 -7.548) 12.100 4.548 ( 9.458 0.000 7.548) 12.100 4.959 ( -3.902 -0.000 -4.055) 5.627 4.959 ( 3.902 0.000 4.055) 5.627 5.232 ( -3.768 -0.000 -2.036) 4.283 5.232 ( 3.768 0.000 2.036) 4.283 5.548 ( -5.308 -0.000 -9.305) 10.713 5.548 ( 5.308 0.000 9.305) 10.713 6.006 ( -2.409 -0.000 -7.102) 7.499 6.006 ( 2.409 0.000 7.102) 7.499 6.236 ( -0.001 -0.000 -2.629) 2.629 6.236 ( 0.001 0.000 2.629) 2.629 6.608 ( -2.091 -0.000 -0.460) 2.141 6.608 ( 2.091 0.000 0.460) 2.141 7.811 ( -6.662 -0.000 -3.734) 7.637 7.811 ( 6.662 0.000 3.734) 7.637 8.226 ( -1.088 -0.000 -3.195) 3.375 8.226 ( 1.088 0.000 3.195) 3.375 9.162 ( -4.720 -0.000 1.527) 4.961 9.162 ( 4.720 0.000 -1.527) 4.961 9.215 ( -3.875 -0.000 -3.674) 5.339 9.215 ( 3.875 0.000 3.674) 5.339 9.631 ( -3.380 -0.000 0.341) 3.397 9.631 ( 3.380 0.000 -0.341) 3.397 9.702 ( -14.822 -0.000 -1.600) 14.908 9.702 ( 14.822 0.000 1.600) 14.908 10.127 ( -8.701 -0.000 -3.374) 9.333 10.127 ( 8.701 0.000 3.374) 9.333 10.734 ( 6.018 0.000 -5.352) 8.054 10.734 ( -6.018 -0.000 5.352) 8.054 11.239 ( -5.652 -0.000 -2.259) 6.086 11.239 ( 5.652 0.000 2.259) 6.086 11.418 ( -10.080 -0.000 1.656) 10.215 11.418 ( 10.080 0.000 -1.656) 10.215 11.806 ( -3.039 -0.000 -5.193) 6.017 11.806 ( 3.039 0.000 5.193) 6.017 12.524 ( 1.253 0.000 -2.110) 2.454 12.524 ( -1.253 -0.000 2.110) 2.454 12.588 ( 2.147 0.000 -4.331) 4.834 12.588 ( -2.147 -0.000 4.331) 4.834 12.797 ( -0.491 -0.000 -4.079) 4.108 12.797 ( 0.491 0.000 4.079) 4.108 13.449 ( -2.600 -0.000 -0.090) 2.602 13.449 ( 2.600 0.000 0.090) 2.602 13.644 ( 2.592 0.000 -0.867) 2.734 13.644 ( -2.592 -0.000 0.867) 2.734 14.479 ( -0.657 -0.000 -1.651) 1.777 14.479 ( 0.657 0.000 1.651) 1.777 14.981 ( -5.131 -0.000 -0.375) 5.144 14.981 ( 5.131 0.000 0.375) 5.144 15.231 ( -0.177 -0.000 -3.111) 3.116 15.231 ( 0.177 0.000 3.111) 3.116 15.794 ( -21.586 -0.000 -5.758) 22.340 15.794 ( 21.586 0.000 5.758) 22.340 16.760 ( 1.012 0.000 -0.739) 1.253 16.760 ( -1.012 -0.000 0.739) 1.253 16.996 ( 1.721 0.000 -1.695) 2.415 16.996 ( -1.721 -0.000 1.695) 2.415 17.367 ( -7.523 -0.000 -2.998) 8.098 17.367 ( 7.523 0.000 2.998) 8.098 19.747 ( -5.136 -0.000 -5.091) 7.232 19.747 ( 5.136 0.000 5.091) 7.232 20.974 ( 0.144 0.000 -2.588) 2.592 20.974 ( -0.144 -0.000 2.588) 2.592 22.206 ( -5.443 -0.000 1.804) 5.734 22.206 ( 5.443 0.000 -1.804) 5.734 23.360 ( 2.256 0.000 -4.126) 4.702 23.360 ( -2.256 -0.000 4.126) 4.702 26.957 ( 0.087 0.000 -0.133) 0.159 26.957 ( -0.087 -0.000 0.133) 0.159 29.491 ( -4.231 -0.000 -2.385) 4.857 29.491 ( 4.231 0.000 2.385) 4.857 30.767 ( 0.280 0.000 -2.340) 2.357 30.767 ( -0.280 -0.000 2.340) 2.357 30.980 ( 18.423 0.000 -6.507) 19.538 30.980 ( -18.423 -0.000 6.507) 19.538 31.577 ( -20.728 -0.000 1.360) 20.773 31.577 ( 20.728 0.000 -1.360) 20.773 32.049 ( -1.348 -0.000 -1.451) 1.981 32.049 ( 1.348 0.000 1.451) 1.981 32.733 ( -2.449 -0.000 -3.097) 3.948 32.733 ( 2.449 0.000 3.097) 3.948 33.732 ( 4.769 0.000 -9.779) 10.880 33.732 ( -4.769 -0.000 9.779) 10.880 35.436 ( 2.348 0.000 -1.407) 2.737 35.436 ( -2.348 -0.000 1.407) 2.737 35.793 ( 2.524 0.000 -7.402) 7.820 35.793 ( -2.524 -0.000 7.402) 7.820 36.212 ( -1.255 -0.000 -4.560) 4.730 36.212 ( 1.255 0.000 4.560) 4.730 38.323 ( -28.878 -0.000 0.425) 28.881 38.323 ( 28.878 0.000 -0.425) 28.881 ======================= Grid point 199 (95/114) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 0.807 -3.819 -17.316) 17.751 1.755 ( 8.858 -3.973 -9.044) 13.268 2.020 ( 8.022 4.807 1.212) 9.430 2.097 ( 1.380 5.913 15.523) 16.668 2.700 ( -1.349 -6.969 -17.230) 18.635 2.753 ( -5.975 -1.691 -1.259) 6.336 2.853 ( 8.049 -3.268 -5.666) 10.371 2.909 ( -2.504 -3.799 8.741) 9.855 3.226 ( -2.565 -19.377 3.205) 19.807 3.293 ( 1.247 -13.654 3.870) 14.247 3.603 ( -3.231 2.766 -1.262) 4.437 3.646 ( -1.345 0.614 2.261) 2.701 3.877 ( -4.966 4.139 -1.712) 6.687 3.979 ( 0.939 4.041 3.037) 5.142 4.296 ( -5.610 4.129 -8.961) 11.350 4.461 ( 1.167 -1.698 -4.944) 5.356 4.521 ( -2.398 -0.063 4.790) 5.357 4.664 ( 9.233 3.018 10.469) 14.282 4.870 ( -6.584 2.366 -3.586) 7.862 5.010 ( 4.978 -0.617 3.943) 6.380 5.199 ( -2.858 -0.250 0.434) 2.902 5.223 ( -0.669 4.344 1.806) 4.752 5.527 ( -0.415 -5.299 -8.261) 9.823 5.663 ( 2.456 -1.908 8.002) 8.585 5.890 ( -2.765 4.229 -8.210) 9.640 5.996 ( 1.328 5.665 4.528) 7.373 6.192 ( -0.971 2.455 -4.969) 5.627 6.213 ( -2.781 3.221 2.938) 5.171 6.563 ( -2.216 2.641 -1.012) 3.593 6.611 ( 0.609 1.387 1.633) 2.227 7.767 ( -2.527 -0.517 -2.634) 3.686 7.918 ( 11.387 -1.019 5.183) 12.553 8.182 ( -1.480 1.447 -2.441) 3.201 8.221 ( -0.831 2.615 1.503) 3.128 9.064 ( -6.672 5.322 -2.400) 8.866 9.114 ( -3.099 3.609 0.035) 4.757 9.193 ( 5.104 -0.484 -2.038) 5.517 9.256 ( 6.285 0.591 2.662) 6.851 9.580 ( -9.991 0.010 -1.340) 10.081 9.640 ( -0.533 -0.204 2.096) 2.172 9.704 ( 2.332 -3.256 -0.097) 4.006 9.842 ( 10.249 0.622 0.336) 10.273 10.071 ( -8.452 -4.678 -3.212) 10.180 10.228 ( 5.227 -3.438 1.537) 6.443 10.692 ( -1.760 4.766 4.919) 7.072 10.717 ( 7.094 4.727 -4.352) 9.571 11.183 ( -5.023 0.904 1.297) 5.266 11.289 ( 7.481 1.590 1.400) 7.775 11.337 ( -6.742 1.361 3.105) 7.546 11.443 ( 10.084 4.735 -0.747) 11.165 11.783 ( -3.710 -3.204 -5.471) 7.346 11.890 ( 3.906 -2.989 3.354) 5.953 12.369 ( -3.436 8.518 -5.450) 10.680 12.417 ( -2.508 7.966 -0.176) 8.353 12.533 ( -3.190 4.639 -2.518) 6.168 12.596 ( 1.029 3.773 2.976) 4.914 12.778 ( -3.804 -2.633 -4.116) 6.192 12.840 ( 0.562 -1.800 2.904) 3.462 13.406 ( -4.756 1.811 3.022) 5.919 13.464 ( 5.185 1.644 -1.271) 5.586 13.671 ( -3.270 -3.820 -2.260) 5.512 13.735 ( 1.860 -8.307 1.700) 8.681 14.467 ( -4.379 2.148 -1.721) 5.172 14.522 ( 1.896 -1.535 0.841) 2.580 14.963 ( -4.518 -5.983 -4.479) 8.733 15.053 ( 1.387 -6.501 4.342) 7.940 15.296 ( -5.560 -9.465 -1.461) 11.075 15.356 ( -2.073 -11.247 -0.572) 11.451 15.692 ( -11.940 -7.312 -3.150) 14.351 16.014 ( 18.039 -2.605 4.182) 18.699 16.673 ( -2.306 6.223 -1.968) 6.922 16.704 ( -0.966 5.715 1.272) 5.934 16.994 ( -2.520 -1.389 -0.598) 2.939 17.032 ( 1.514 -2.756 0.952) 3.285 17.335 ( -5.524 -3.739 -3.143) 7.373 17.457 ( 5.914 -1.800 1.564) 6.377 19.728 ( -0.318 -3.400 -3.051) 4.579 19.831 ( 6.311 -0.462 5.592) 8.445 20.907 ( 0.925 5.855 -2.478) 6.425 20.928 ( -0.334 6.387 2.776) 6.972 22.247 ( -5.782 -7.852 1.980) 9.950 22.305 ( 4.009 -7.363 -1.884) 8.593 23.310 ( 3.057 4.981 -3.811) 6.977 23.318 ( -1.924 5.128 4.127) 6.858 27.074 ( -0.326 -12.577 -1.988) 12.737 27.114 ( 0.305 -16.414 4.091) 16.919 29.292 ( -5.554 15.067 -3.501) 16.435 29.414 ( 6.046 12.769 0.929) 14.158 30.773 ( -3.589 -3.263 -2.911) 5.658 30.809 ( -0.805 -2.980 2.446) 3.939 30.915 ( -21.902 -8.886 0.200) 23.637 31.137 ( 7.521 -8.979 -2.111) 11.901 31.482 ( -8.498 -1.192 1.370) 8.690 31.720 ( 19.949 2.843 -4.538) 20.656 31.969 ( -3.596 5.782 -0.779) 6.853 32.059 ( 9.927 1.396 -3.255) 10.540 32.755 ( -1.532 -6.161 -4.492) 7.777 32.834 ( 4.180 -6.539 1.160) 7.847 33.694 ( 3.501 2.057 -8.361) 9.295 33.727 ( -5.228 2.268 9.075) 10.716 35.428 ( -2.231 -0.605 0.439) 2.353 35.450 ( 1.571 -0.782 -1.236) 2.146 35.803 ( 3.029 -3.153 -6.781) 8.068 35.837 ( -2.713 -2.224 6.736) 7.595 36.208 ( -0.884 -2.580 -0.827) 2.850 36.263 ( 2.224 -0.916 4.736) 5.312 38.027 ( -28.020 8.697 5.292) 29.813 38.411 ( 24.263 13.408 -0.832) 27.734 ======================= Grid point 200 (96/114) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 4.895 -11.053 -16.089) 20.124 1.863 ( 10.619 -5.364 -6.279) 13.452 1.968 ( 1.891 2.209 4.023) 4.964 2.220 ( 11.766 -4.361 9.893) 15.979 2.674 ( 1.308 -0.841 -10.005) 10.125 2.833 ( 0.097 -5.031 -7.549) 9.072 2.872 ( -6.702 -8.984 -1.065) 11.259 3.164 ( -0.303 -18.891 -8.129) 20.568 3.371 ( -10.387 3.098 0.752) 10.865 3.400 ( -1.277 -0.194 -2.621) 2.922 3.665 ( -0.853 -4.894 4.065) 6.419 3.678 ( 1.161 -1.243 6.631) 6.846 3.768 ( -3.010 -1.276 -3.425) 4.735 3.894 ( -0.898 3.413 1.185) 3.723 4.205 ( 0.595 3.535 1.815) 4.018 4.454 ( -1.245 -1.104 -9.035) 9.188 4.551 ( -0.201 -0.924 8.086) 8.141 4.705 ( 6.565 4.302 7.359) 10.760 4.767 ( -6.591 0.827 -2.572) 7.123 5.061 ( -0.150 1.225 2.629) 2.905 5.145 ( 0.013 3.999 2.699) 4.825 5.257 ( 3.335 -4.808 5.967) 8.358 5.535 ( -4.199 2.969 -1.112) 5.261 5.657 ( 2.718 4.065 -2.899) 5.685 5.808 ( -4.550 -0.755 -3.407) 5.734 5.914 ( 2.942 4.515 -1.609) 5.624 6.097 ( -0.006 3.065 -4.722) 5.630 6.156 ( -1.128 1.668 2.935) 3.559 6.489 ( -2.127 2.468 -1.136) 3.451 6.577 ( -3.234 2.715 2.109) 4.720 7.747 ( -0.564 0.022 -2.152) 2.225 7.992 ( 5.664 4.690 -0.203) 7.356 8.137 ( -5.218 3.460 -0.460) 6.278 8.212 ( 6.038 -5.093 3.612) 8.686 8.984 ( -0.915 -0.055 1.690) 1.923 9.029 ( -1.616 3.594 2.278) 4.552 9.229 ( 5.911 0.502 -1.345) 6.083 9.314 ( 4.978 -0.530 1.608) 5.258 9.505 ( -7.297 0.436 -0.360) 7.319 9.621 ( 0.307 3.237 1.999) 3.817 9.752 ( -2.491 4.446 -7.596) 9.147 9.816 ( 3.226 -4.277 -0.710) 5.404 10.116 ( -2.541 -2.524 -1.444) 3.862 10.322 ( 0.070 -3.792 -0.366) 3.811 10.583 ( 0.469 8.694 1.727) 8.877 10.628 ( 5.415 8.097 -2.901) 10.164 11.158 ( -0.584 1.051 3.220) 3.438 11.286 ( 3.116 1.555 2.679) 4.394 11.366 ( 3.629 -1.092 2.200) 4.382 11.423 ( 3.706 2.029 -1.191) 4.390 11.775 ( -3.777 -1.355 -6.364) 7.523 11.983 ( 3.203 -2.294 -1.227) 4.126 12.183 ( -4.431 3.295 -5.002) 7.451 12.284 ( -3.969 2.100 1.062) 4.614 12.422 ( 0.089 4.293 0.680) 4.348 12.515 ( 0.639 7.123 3.242) 7.852 12.764 ( -3.333 0.156 -2.902) 4.422 12.881 ( -1.504 -1.067 2.727) 3.292 13.378 ( -3.429 -0.176 4.602) 5.742 13.456 ( 5.952 2.103 -1.608) 6.514 13.676 ( -7.239 -3.861 -4.938) 9.576 13.936 ( 3.080 -8.107 1.849) 8.868 14.296 ( -8.269 5.481 -7.734) 12.579 14.550 ( 3.313 1.178 2.097) 4.094 15.064 ( -2.572 -7.961 -2.549) 8.746 15.224 ( 2.735 -7.641 4.263) 9.167 15.440 ( -5.198 -6.782 1.875) 8.749 15.506 ( -5.597 -10.443 -1.008) 11.892 15.819 ( -0.665 -10.558 0.285) 10.583 16.168 ( 10.286 -0.251 0.815) 10.322 16.523 ( -3.730 6.351 -3.060) 7.976 16.637 ( -3.699 -0.661 6.529) 7.533 17.007 ( -2.184 -2.596 -0.856) 3.499 17.127 ( 2.453 -5.017 1.706) 5.839 17.353 ( -2.779 -3.036 -2.461) 4.796 17.520 ( 3.574 -0.810 -0.286) 3.676 19.833 ( 3.777 -7.958 -1.567) 8.947 19.920 ( 3.912 -2.255 4.593) 6.441 20.768 ( 0.298 8.834 -1.314) 8.936 20.790 ( -0.145 9.443 0.954) 9.492 22.396 ( -5.032 -11.605 2.154) 12.831 22.470 ( 1.801 -9.460 -3.244) 10.161 23.188 ( -1.309 8.674 2.075) 9.014 23.220 ( 2.897 7.086 -0.589) 7.678 27.339 ( -0.642 -18.609 -3.515) 18.949 27.552 ( -0.483 -25.368 12.500) 28.285 28.902 ( -4.648 20.613 -3.180) 21.369 29.178 ( 7.593 18.365 -1.835) 19.957 30.803 ( -7.258 -8.084 -5.024) 11.970 30.884 ( -2.203 -5.714 2.083) 6.468 30.968 ( -11.297 -10.376 -0.841) 15.362 31.305 ( -1.506 -5.047 -0.979) 5.357 31.508 ( 1.832 -1.634 5.768) 6.269 31.695 ( 7.741 6.735 -3.533) 10.852 31.811 ( -5.593 6.128 -0.657) 8.323 32.127 ( 17.395 0.237 -9.895) 20.014 32.867 ( 0.246 -9.196 -3.883) 9.986 33.013 ( 4.558 -8.548 0.753) 9.717 33.617 ( 0.353 4.242 -4.726) 6.361 33.672 ( -4.189 4.279 5.396) 8.061 35.433 ( -1.446 -1.362 -0.060) 1.988 35.475 ( 0.869 -1.615 -0.854) 2.023 35.853 ( 1.771 -2.859 -4.092) 5.297 35.896 ( -0.110 -2.710 2.960) 4.014 36.286 ( -2.272 -5.742 4.876) 7.868 36.329 ( 3.250 -2.272 1.796) 4.353 37.695 ( -22.913 10.198 9.606) 26.856 38.229 ( 17.296 20.775 -6.806) 27.876 ======================= Grid point 201 (97/114) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 1.121 -5.643 -13.371) 14.556 2.048 ( 5.654 -6.229 -2.573) 8.797 2.076 ( 7.815 -9.037 1.291) 12.017 2.472 ( 10.008 -6.645 9.926) 15.584 2.670 ( -0.534 -1.514 0.521) 1.688 2.826 ( -5.247 -2.302 -3.609) 6.772 3.002 ( -2.805 -6.174 -4.575) 8.180 3.173 ( -6.241 5.764 -1.648) 8.654 3.317 ( -1.709 -7.070 -13.560) 15.387 3.528 ( 3.423 -9.337 1.316) 10.031 3.578 ( -2.708 4.205 1.039) 5.108 3.683 ( -1.046 2.948 -2.513) 4.012 3.819 ( -2.122 -4.510 2.574) 5.610 3.897 ( 1.158 3.291 0.731) 3.564 4.153 ( 1.626 4.513 4.855) 6.825 4.406 ( -2.764 -1.493 -7.801) 8.410 4.617 ( -2.936 -2.285 4.563) 5.887 4.657 ( -2.682 4.180 2.786) 5.695 4.743 ( 5.193 2.410 0.366) 5.736 5.020 ( -2.187 2.243 0.146) 3.136 5.135 ( 4.831 2.346 8.258) 9.851 5.327 ( -9.713 0.660 -1.384) 9.833 5.422 ( 4.472 5.119 4.943) 8.404 5.636 ( 1.025 0.413 0.198) 1.123 5.741 ( 0.638 0.993 -4.663) 4.810 5.912 ( -0.952 -2.756 -0.958) 3.069 6.046 ( 0.011 0.958 -1.295) 1.611 6.196 ( 4.482 -3.434 -1.577) 5.862 6.442 ( -1.065 0.810 -1.257) 1.836 6.494 ( -5.785 3.728 2.844) 7.447 7.741 ( 1.363 -0.284 -1.257) 1.875 7.910 ( -1.808 3.327 -1.692) 4.147 8.055 ( -3.302 1.385 -0.217) 3.588 8.392 ( 6.868 -4.124 3.996) 8.952 8.993 ( -0.415 0.017 3.004) 3.033 9.038 ( 0.670 -2.165 1.136) 2.535 9.246 ( 4.953 1.504 -0.219) 5.181 9.361 ( 3.635 0.637 3.012) 4.763 9.446 ( -1.571 2.061 -0.518) 2.642 9.528 ( -3.320 4.917 -2.764) 6.545 9.681 ( 0.633 -3.772 -3.157) 4.959 9.916 ( 1.053 -3.794 -1.276) 4.139 10.047 ( -4.334 5.664 -1.311) 7.251 10.356 ( -4.270 -2.557 -0.910) 5.060 10.444 ( 1.880 6.822 -1.023) 7.150 10.500 ( 2.963 7.511 -1.552) 8.222 11.159 ( -0.302 0.097 1.498) 1.531 11.312 ( 5.166 2.353 1.534) 5.880 11.413 ( 2.893 -2.707 -0.672) 4.019 11.452 ( 0.270 -2.428 2.891) 3.785 11.677 ( -1.374 4.841 -7.266) 8.839 11.944 ( -4.746 1.441 -5.315) 7.270 12.149 ( -3.216 -2.662 0.528) 4.208 12.351 ( 1.138 6.683 0.539) 6.800 12.387 ( 2.064 -9.439 3.849) 10.400 12.448 ( 1.441 0.553 3.643) 3.957 12.700 ( -2.328 2.191 -1.004) 3.351 12.848 ( -0.136 5.900 0.590) 5.931 13.414 ( 0.350 -1.381 5.112) 5.307 13.477 ( 1.616 -2.091 -1.818) 3.207 13.666 ( -6.156 -4.416 -3.826) 8.487 13.937 ( -1.498 9.023 -0.604) 9.167 14.212 ( -1.563 -5.109 -7.299) 9.045 14.588 ( 2.783 -1.364 3.535) 4.701 15.148 ( -3.022 -6.492 -2.876) 7.717 15.393 ( -0.826 6.972 0.425) 7.034 15.413 ( 1.051 -6.916 5.130) 8.674 15.649 ( -3.696 -7.191 0.353) 8.093 15.947 ( 3.095 -2.285 0.722) 3.914 16.264 ( 6.121 -6.372 -2.950) 9.315 16.347 ( -5.297 7.206 -3.747) 9.697 16.712 ( -3.756 -2.285 9.434) 10.408 17.036 ( -1.152 -2.157 -0.481) 2.492 17.242 ( 1.094 -4.769 1.118) 5.019 17.363 ( -0.343 -0.423 -1.100) 1.227 17.551 ( 1.766 -0.985 -0.727) 2.149 20.016 ( 2.715 -6.862 1.428) 7.517 20.039 ( 3.342 -7.806 1.076) 8.559 20.584 ( -2.912 10.396 1.893) 10.961 20.631 ( 1.675 7.619 -2.800) 8.288 22.586 ( -2.818 -11.175 1.118) 11.579 22.629 ( 0.334 -9.806 -3.064) 10.279 23.019 ( -1.851 9.974 2.572) 10.465 23.098 ( 2.497 8.339 -0.844) 8.746 27.675 ( 0.020 -21.172 -2.667) 21.339 28.063 ( -4.738 -23.695 13.856) 27.855 28.483 ( -1.592 21.818 -0.715) 21.887 28.881 ( 8.246 19.115 -5.316) 21.486 30.898 ( -3.351 -8.957 -2.727) 9.945 30.998 ( -3.367 -7.070 2.847) 8.332 31.069 ( -5.102 -7.993 -1.040) 9.540 31.303 ( 1.337 1.924 -2.270) 3.262 31.485 ( 2.417 6.582 0.952) 7.076 31.553 ( -3.151 9.402 -3.201) 10.420 31.825 ( -1.735 -6.764 6.959) 9.858 32.166 ( 12.316 1.956 -10.431) 16.258 33.024 ( 1.472 -8.824 -2.186) 9.209 33.198 ( 4.844 -7.328 0.391) 8.793 33.494 ( -4.542 6.049 0.269) 7.569 33.582 ( -1.252 4.760 0.309) 4.932 35.450 ( -0.570 -1.245 -0.015) 1.369 35.506 ( 0.380 -1.484 -0.513) 1.616 35.878 ( 0.149 -1.104 -1.369) 1.765 35.956 ( 1.763 -1.637 0.712) 2.509 36.391 ( 0.875 -3.661 2.298) 4.410 36.423 ( -0.395 -4.989 2.166) 5.453 37.450 ( -14.660 6.503 9.693) 18.739 37.940 ( 10.294 16.068 -9.220) 21.194 ======================= Grid point 202 (98/114) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -0.000 0.000 0.000) 0.000 2.134 ( -0.000 0.000 0.000) 0.000 2.212 ( -0.000 -0.000 -0.000) 0.000 2.621 ( -0.000 0.000 0.000) 0.000 2.736 ( 0.000 0.000 0.000) 0.000 2.762 ( -0.000 0.000 0.000) 0.000 3.018 ( -0.000 0.000 -0.000) 0.000 3.108 ( -0.000 0.000 0.000) 0.000 3.348 ( -0.000 0.000 0.000) 0.000 3.504 ( 0.000 -0.000 0.000) 0.000 3.565 ( 0.000 -0.000 0.000) 0.000 3.742 ( -0.000 0.000 0.000) 0.000 3.811 ( -0.000 0.000 0.000) 0.000 3.874 ( -0.000 0.000 0.000) 0.000 4.140 ( -0.000 0.000 0.000) 0.000 4.381 ( 0.000 0.000 0.000) 0.000 4.587 ( -0.000 0.000 0.000) 0.000 4.657 ( -0.000 0.000 0.000) 0.000 4.738 ( 0.000 0.000 -0.000) 0.000 4.983 ( -0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.215 ( -0.000 -0.000 -0.000) 0.000 5.417 ( -0.000 0.000 0.000) 0.000 5.619 ( 0.000 0.000 0.000) 0.000 5.746 ( -0.000 0.000 0.000) 0.000 5.939 ( -0.000 0.000 0.000) 0.000 6.036 ( -0.000 0.000 0.000) 0.000 6.265 ( 0.000 0.000 -0.000) 0.000 6.423 ( 0.000 -0.000 -0.000) 0.000 6.430 ( -0.000 0.000 0.000) 0.000 7.751 ( -0.000 0.000 0.000) 0.000 7.865 ( -0.000 0.000 0.000) 0.000 8.031 ( 0.000 0.000 0.000) 0.000 8.466 ( 0.000 0.000 0.000) 0.000 9.013 ( -0.000 0.000 0.000) 0.000 9.059 ( 0.000 0.000 0.000) 0.000 9.255 ( -0.000 0.000 0.000) 0.000 9.379 ( -0.000 -0.000 0.000) 0.000 9.409 ( 0.000 0.000 -0.000) 0.000 9.462 ( 0.000 0.000 0.000) 0.000 9.805 ( -0.000 0.000 -0.000) 0.000 9.838 ( 0.000 -0.000 0.000) 0.000 9.988 ( -0.000 0.000 0.000) 0.000 10.358 ( 0.000 0.000 0.000) 0.000 10.385 ( -0.000 -0.000 0.000) 0.000 10.430 ( 0.000 0.000 -0.000) 0.000 11.163 ( -0.000 0.000 0.000) 0.000 11.307 ( 0.000 0.000 -0.000) 0.000 11.465 ( -0.000 0.000 0.000) 0.000 11.531 ( -0.000 0.000 -0.000) 0.000 11.552 ( -0.000 0.000 0.000) 0.000 11.885 ( -0.000 0.000 0.000) 0.000 12.203 ( -0.000 -0.000 0.000) 0.000 12.251 ( 0.000 0.000 0.000) 0.000 12.438 ( -0.000 0.000 0.000) 0.000 12.604 ( -0.000 0.000 0.000) 0.000 12.685 ( -0.000 0.000 0.000) 0.000 12.704 ( -0.000 0.000 0.000) 0.000 13.441 ( 0.000 0.000 0.000) 0.000 13.515 ( -0.000 0.000 0.000) 0.000 13.706 ( -0.000 -0.000 0.000) 0.000 13.785 ( -0.000 0.000 0.000) 0.000 14.237 ( -0.000 0.000 0.000) 0.000 14.637 ( -0.000 0.000 0.000) 0.000 15.217 ( -0.000 0.000 0.000) 0.000 15.284 ( -0.000 -0.000 -0.000) 0.000 15.495 ( -0.000 0.000 0.000) 0.000 15.688 ( -0.000 0.000 0.000) 0.000 16.020 ( -0.000 0.000 0.000) 0.000 16.202 ( 0.000 -0.000 0.000) 0.000 16.367 ( -0.000 0.000 0.000) 0.000 16.732 ( 0.000 -0.000 -0.000) 0.000 17.051 ( 0.000 0.000 0.000) 0.000 17.302 ( -0.000 0.000 0.000) 0.000 17.355 ( -0.000 0.000 0.000) 0.000 17.568 ( -0.000 0.000 0.000) 0.000 20.094 ( -0.000 0.000 0.000) 0.000 20.182 ( -0.000 0.000 0.000) 0.000 20.442 ( 0.000 -0.000 0.000) 0.000 20.550 ( -0.000 0.000 0.000) 0.000 22.701 ( 0.000 0.000 0.000) 0.000 22.761 ( -0.000 -0.000 0.000) 0.000 22.881 ( -0.000 0.000 0.000) 0.000 23.003 ( 0.000 0.000 0.000) 0.000 28.050 ( -0.000 0.000 0.000) 0.000 28.061 ( 0.000 -0.000 0.000) 0.000 28.427 ( -0.000 -0.000 0.000) 0.000 28.625 ( -0.000 0.000 -0.000) 0.000 30.986 ( -0.000 0.000 0.000) 0.000 31.056 ( -0.000 0.000 0.000) 0.000 31.129 ( 0.000 0.000 -0.000) 0.000 31.311 ( 0.000 -0.000 0.000) 0.000 31.380 ( -0.000 0.000 0.000) 0.000 31.431 ( -0.000 0.000 0.000) 0.000 31.920 ( -0.000 0.000 -0.000) 0.000 32.155 ( -0.000 0.000 0.000) 0.000 33.124 ( -0.000 0.000 0.000) 0.000 33.337 ( 0.000 -0.000 -0.000) 0.000 33.363 ( -0.000 0.000 0.000) 0.000 33.522 ( -0.000 0.000 0.000) 0.000 35.460 ( 0.000 0.000 0.000) 0.000 35.521 ( -0.000 0.000 -0.000) 0.000 35.884 ( 0.000 0.000 0.000) 0.000 35.980 ( -0.000 0.000 0.000) 0.000 36.442 ( -0.000 0.000 0.000) 0.000 36.475 ( 0.000 0.000 -0.000) 0.000 37.362 ( -0.000 0.000 0.000) 0.000 37.795 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 208 (99/114) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -0.096 -0.000 -26.256) 26.256 1.685 ( 15.239 0.000 -23.442) 27.960 2.181 ( 14.467 0.000 9.140) 17.113 2.330 ( 6.448 0.000 -1.060) 6.534 2.624 ( 3.557 0.000 5.207) 6.306 2.741 ( -5.666 -0.000 -16.020) 16.993 2.750 ( -7.498 -0.000 -4.596) 8.795 2.940 ( 1.151 0.000 12.980) 13.031 2.954 ( 5.167 0.000 -1.443) 5.365 3.188 ( -0.926 -0.000 9.459) 9.504 3.611 ( -5.883 -0.000 -1.113) 5.987 3.620 ( -1.916 -0.000 1.646) 2.526 3.878 ( -4.093 -0.000 -1.734) 4.446 4.032 ( -4.106 -0.000 3.894) 5.659 4.265 ( -3.954 -0.000 -1.355) 4.180 4.367 ( -0.637 -0.000 -12.253) 12.270 4.540 ( -3.639 -0.000 8.438) 9.190 4.821 ( 2.919 0.000 0.677) 2.996 4.875 ( 2.830 0.000 4.026) 4.921 5.010 ( -0.208 -0.000 -0.984) 1.005 5.158 ( -5.134 -0.000 1.735) 5.420 5.288 ( -0.873 -0.000 7.052) 7.105 5.450 ( 3.997 0.000 -4.129) 5.747 5.684 ( 2.930 0.000 -1.561) 3.320 5.875 ( -5.573 -0.000 -3.547) 6.605 6.041 ( -8.461 -0.000 1.004) 8.520 6.173 ( 1.140 0.000 -4.646) 4.784 6.234 ( -1.967 -0.000 0.948) 2.184 6.584 ( -0.946 -0.000 0.145) 0.957 6.629 ( -0.757 -0.000 0.220) 0.788 7.751 ( 2.672 0.000 -2.468) 3.638 8.033 ( 12.459 0.000 7.139) 14.359 8.191 ( 0.224 0.000 0.883) 0.911 8.258 ( 0.139 0.000 0.682) 0.696 9.050 ( -7.915 -0.000 -4.396) 9.054 9.076 ( -4.634 -0.000 -0.487) 4.660 9.224 ( 4.493 0.000 -4.756) 6.543 9.303 ( 3.173 0.000 0.212) 3.180 9.508 ( -8.450 -0.000 1.777) 8.635 9.613 ( -2.637 -0.000 1.336) 2.956 9.740 ( 7.827 0.000 -0.272) 7.832 9.893 ( -3.340 -0.000 -3.916) 5.147 10.001 ( 7.790 0.000 3.236) 8.435 10.239 ( 3.285 0.000 1.245) 3.513 10.779 ( 2.048 0.000 9.035) 9.264 10.793 ( 8.477 0.000 -6.215) 10.512 11.147 ( -4.425 -0.000 0.140) 4.427 11.324 ( -6.234 -0.000 7.011) 9.382 11.366 ( 4.641 0.000 0.646) 4.686 11.612 ( 14.368 0.000 1.174) 14.416 11.693 ( -2.188 -0.000 -7.382) 7.699 11.904 ( 3.374 0.000 3.521) 4.876 12.407 ( -7.852 -0.000 -6.092) 9.938 12.454 ( -6.286 -0.000 -2.764) 6.867 12.513 ( -3.494 -0.000 -4.707) 5.862 12.607 ( -9.697 -0.000 -0.272) 9.701 12.704 ( 3.994 0.000 -2.444) 4.682 12.865 ( 1.854 0.000 4.039) 4.444 13.412 ( -3.359 -0.000 1.979) 3.899 13.496 ( 2.724 0.000 1.026) 2.911 13.605 ( -3.774 -0.000 0.406) 3.795 13.685 ( 3.598 0.000 0.086) 3.599 14.466 ( -0.047 -0.000 0.593) 0.595 14.513 ( 0.193 0.000 2.340) 2.348 14.713 ( -24.054 -0.000 -10.425) 26.216 15.002 ( 0.410 0.000 -1.383) 1.443 15.175 ( -8.444 -0.000 0.489) 8.458 15.181 ( 0.467 0.000 -4.347) 4.372 15.581 ( 2.399 0.000 -0.909) 2.565 16.158 ( 16.312 0.000 3.928) 16.779 16.724 ( -3.667 -0.000 -0.732) 3.740 16.737 ( -1.982 -0.000 -2.190) 2.954 16.976 ( -3.324 -0.000 1.516) 3.653 16.995 ( 0.068 0.000 -0.881) 0.883 17.229 ( -4.663 -0.000 -2.982) 5.535 17.493 ( 5.589 0.000 0.389) 5.602 19.688 ( 2.165 0.000 -1.568) 2.673 19.938 ( 9.212 0.000 7.019) 11.582 20.959 ( 1.268 0.000 -1.888) 2.274 21.007 ( 0.161 0.000 3.011) 3.015 22.138 ( -6.244 -0.000 2.534) 6.738 22.250 ( 2.783 0.000 -2.350) 3.642 23.360 ( 3.563 0.000 -3.787) 5.200 23.373 ( -2.108 -0.000 3.751) 4.302 26.957 ( 0.092 0.000 -0.046) 0.103 26.958 ( -0.025 -0.000 0.247) 0.249 29.403 ( -1.959 -0.000 -3.032) 3.610 29.559 ( 3.270 0.000 -1.202) 3.484 30.569 ( -28.703 -0.000 -5.476) 29.221 30.742 ( -1.472 -0.000 0.062) 1.474 30.789 ( -1.523 -0.000 2.997) 3.362 31.080 ( 7.059 0.000 -4.369) 8.302 31.444 ( -2.406 -0.000 3.889) 4.573 31.878 ( 17.885 0.000 -6.672) 19.089 32.032 ( 6.617 0.000 -7.625) 10.096 32.093 ( 3.060 0.000 -0.054) 3.060 32.660 ( -0.419 -0.000 -5.616) 5.632 32.802 ( 6.599 0.000 -3.484) 7.462 33.692 ( 3.303 0.000 -7.941) 8.601 33.756 ( -6.504 -0.000 9.549) 11.554 35.409 ( -2.663 -0.000 1.208) 2.925 35.444 ( 1.655 0.000 -2.476) 2.978 35.755 ( 2.825 0.000 -6.560) 7.143 35.832 ( -3.453 -0.000 6.963) 7.772 36.177 ( 0.761 0.000 -0.999) 1.256 36.315 ( 2.829 0.000 7.793) 8.291 37.920 ( -28.012 -0.000 7.994) 29.130 38.726 ( 18.487 0.000 3.135) 18.751 ======================= Grid point 209 (100/114) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 7.472 -11.866 -21.359) 25.551 1.746 ( 16.583 -8.483 -22.873) 29.498 2.200 ( -3.157 11.767 5.462) 13.351 2.332 ( 15.420 0.560 4.832) 16.169 2.518 ( 7.640 -3.263 -19.378) 21.083 2.695 ( -2.440 -0.602 7.453) 7.865 2.792 ( -8.042 -7.834 -9.983) 15.023 2.912 ( 7.055 2.926 -4.846) 9.045 3.249 ( -5.892 -11.159 6.492) 14.192 3.339 ( -1.616 -6.974 6.631) 9.758 3.566 ( -1.906 -3.633 3.276) 5.250 3.640 ( -2.148 -2.249 1.532) 3.467 3.806 ( -1.876 3.889 -1.112) 4.458 3.936 ( -5.113 4.806 1.352) 7.147 4.248 ( -1.687 0.433 -1.108) 2.064 4.369 ( -0.297 -4.815 -0.528) 4.853 4.565 ( -3.716 -0.516 9.252) 9.983 4.772 ( -2.316 3.836 -0.401) 4.499 4.853 ( 4.282 3.654 1.007) 5.719 5.076 ( -0.904 -3.150 -1.166) 3.478 5.125 ( -6.617 -1.563 0.468) 6.815 5.315 ( 5.399 3.617 11.206) 12.955 5.498 ( 3.858 -2.914 -2.885) 5.630 5.694 ( -1.948 -2.031 -4.898) 5.649 5.753 ( -4.770 4.707 -4.372) 8.002 5.980 ( -8.659 -1.837 -1.790) 9.031 6.109 ( 2.248 5.276 -5.272) 7.790 6.195 ( -2.803 2.642 0.882) 3.951 6.532 ( -1.484 3.819 -1.249) 4.284 6.597 ( -3.496 2.183 0.608) 4.166 7.760 ( 4.587 1.274 -1.245) 4.921 8.123 ( 0.945 5.625 0.698) 5.746 8.199 ( -0.323 3.123 4.280) 5.308 8.242 ( 11.047 -1.319 3.577) 11.686 8.953 ( -5.937 -0.157 0.449) 5.956 9.070 ( -2.111 -0.005 0.523) 2.175 9.236 ( 1.661 -1.017 -4.195) 4.625 9.328 ( 2.951 -1.297 -4.048) 5.175 9.432 ( -5.437 0.814 1.747) 5.769 9.630 ( -6.370 -2.432 -1.265) 6.935 9.771 ( 3.029 2.539 -2.655) 4.761 9.812 ( 1.067 1.169 -2.138) 2.661 10.109 ( 8.324 -0.715 1.359) 8.464 10.277 ( 1.095 -1.027 0.779) 1.691 10.759 ( 2.356 7.691 1.773) 8.237 10.772 ( 4.042 5.538 -2.642) 7.348 11.174 ( -1.280 -2.909 4.683) 5.660 11.294 ( -4.262 0.815 3.680) 5.690 11.396 ( 2.999 0.229 1.501) 3.361 11.610 ( 10.840 9.467 -4.241) 15.004 11.663 ( -1.566 -2.344 -3.562) 4.543 11.979 ( 3.805 -1.151 -0.909) 4.078 12.173 ( -9.870 5.600 -10.088) 15.183 12.333 ( -4.201 5.782 1.880) 7.390 12.493 ( -3.038 -1.193 1.111) 3.447 12.592 ( -3.939 -1.056 -6.906) 8.020 12.678 ( 2.339 3.310 5.027) 6.457 12.888 ( 0.002 0.487 3.976) 4.006 13.386 ( -3.395 1.263 3.503) 5.039 13.515 ( 2.819 0.180 -1.289) 3.105 13.606 ( -1.533 0.336 -1.989) 2.533 13.792 ( 3.104 -9.435 2.197) 10.172 14.295 ( -11.135 6.768 -7.429) 15.000 14.553 ( 0.925 -2.525 0.891) 2.832 14.830 ( -6.168 -18.601 -0.607) 19.607 15.108 ( -2.046 -13.587 4.878) 14.580 15.180 ( -5.526 -6.214 -1.677) 8.483 15.238 ( -4.740 -9.614 -1.118) 10.777 15.690 ( 8.440 -6.708 -0.538) 10.794 16.265 ( 9.648 1.580 1.554) 9.899 16.599 ( -4.345 6.296 -1.547) 7.805 16.674 ( -3.733 4.635 0.274) 5.957 16.941 ( -3.076 -1.487 -0.294) 3.429 17.059 ( 0.268 -4.825 0.979) 4.931 17.248 ( -1.255 -4.982 -2.096) 5.549 17.530 ( 3.126 -0.426 -1.473) 3.481 19.750 ( 5.000 -4.315 -0.153) 6.606 20.009 ( 7.116 2.984 5.368) 9.400 20.902 ( 1.730 6.145 -2.077) 6.713 20.954 ( -0.521 7.297 2.685) 7.793 22.184 ( -5.902 -8.233 3.157) 10.611 22.312 ( 1.063 -6.554 -4.151) 7.830 23.319 ( 0.403 5.305 -0.266) 5.327 23.336 ( 0.465 4.092 0.687) 4.175 27.058 ( 0.239 -10.928 -0.773) 10.958 27.165 ( -1.657 -20.908 5.876) 21.781 29.208 ( -0.096 16.676 -1.599) 16.753 29.477 ( 3.534 10.862 -3.420) 11.923 30.470 ( -14.175 -12.163 -7.207) 20.020 30.779 ( -3.024 -4.443 1.781) 5.662 30.821 ( -2.295 -3.213 3.548) 5.308 31.181 ( 3.772 -6.628 -1.883) 7.855 31.493 ( 0.103 -3.677 6.062) 7.091 31.861 ( 4.325 7.440 -3.242) 9.197 31.936 ( 3.820 9.271 -5.085) 11.242 32.164 ( 12.862 -2.379 -12.409) 18.030 32.700 ( 1.788 -7.196 -5.077) 8.987 32.898 ( 6.444 -7.103 -4.883) 10.762 33.655 ( 2.109 2.259 -6.056) 6.799 33.730 ( -6.867 2.651 7.865) 10.773 35.404 ( -1.627 -0.755 1.120) 2.115 35.451 ( 1.099 -0.983 -2.051) 2.526 35.776 ( 3.028 -3.523 -6.542) 8.024 35.859 ( -3.768 -2.217 5.694) 7.179 36.215 ( 0.948 -3.212 1.871) 3.836 36.376 ( 3.180 0.718 7.100) 7.812 37.721 ( -23.591 5.697 12.779) 27.428 38.675 ( 10.537 17.606 -3.221) 20.770 ======================= Grid point 210 (101/114) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 9.559 -9.863 -16.016) 21.099 1.977 ( 19.547 -9.672 -12.318) 25.048 2.111 ( 0.924 0.860 13.634) 13.692 2.518 ( 9.251 -5.245 7.835) 13.209 2.650 ( 5.671 -3.863 -4.598) 8.260 2.698 ( -8.535 -11.131 -10.414) 17.470 2.741 ( 1.348 -1.012 -9.066) 9.222 3.021 ( 0.106 -12.074 -11.233) 16.492 3.222 ( -5.819 4.285 2.173) 7.546 3.411 ( -2.573 -3.242 2.309) 4.740 3.634 ( -5.966 2.039 -3.208) 7.074 3.660 ( -2.716 -2.725 2.002) 4.337 3.723 ( -0.523 1.289 -1.217) 1.848 3.933 ( 0.888 -0.706 4.317) 4.463 4.215 ( -2.707 -0.360 -4.565) 5.320 4.424 ( 1.217 2.699 7.224) 7.807 4.606 ( -3.073 -0.673 9.759) 10.253 4.685 ( -0.783 3.257 0.026) 3.350 4.861 ( 4.263 1.942 2.412) 5.269 5.046 ( -2.831 2.140 1.659) 3.918 5.157 ( -5.862 -5.542 -0.311) 8.073 5.331 ( 2.786 4.124 4.544) 6.739 5.531 ( -0.628 2.684 -2.146) 3.493 5.638 ( -0.003 0.070 -3.450) 3.450 5.702 ( -1.124 -2.470 -2.522) 3.705 5.962 ( 2.877 1.015 -1.085) 3.237 6.006 ( -1.259 1.157 -4.595) 4.903 6.151 ( -2.184 -0.571 1.343) 2.627 6.444 ( -2.247 2.439 -2.894) 4.402 6.512 ( -6.404 3.331 1.520) 7.376 7.772 ( 5.508 1.472 1.541) 5.906 7.962 ( -4.794 6.342 -1.967) 8.190 8.137 ( 2.024 5.597 3.569) 6.940 8.424 ( 10.472 -3.119 3.681) 11.530 8.960 ( -4.282 -3.011 -0.450) 5.254 9.035 ( 0.143 2.597 2.569) 3.656 9.251 ( -2.333 -3.352 -3.375) 5.298 9.362 ( 1.117 -3.092 -3.337) 4.684 9.426 ( 1.181 -0.743 0.369) 1.444 9.551 ( -6.907 2.359 -3.514) 8.101 9.705 ( 2.266 3.919 0.947) 4.625 9.857 ( 2.935 -2.365 -2.761) 4.672 10.131 ( 4.213 4.259 -0.025) 5.990 10.274 ( -4.275 0.399 -0.268) 4.302 10.611 ( -0.148 8.211 0.922) 8.264 10.651 ( 3.164 8.264 -5.364) 10.348 11.189 ( -1.186 2.004 3.848) 4.498 11.327 ( -0.713 -4.365 1.510) 4.674 11.427 ( 0.351 -1.113 1.111) 1.611 11.486 ( 7.073 7.555 -6.042) 11.984 11.673 ( -0.154 -0.554 -3.859) 3.902 11.864 ( -6.811 2.382 -10.411) 12.667 12.145 ( 1.876 -0.548 1.115) 2.250 12.273 ( -0.583 -2.541 5.311) 5.916 12.489 ( 4.122 6.357 0.329) 7.584 12.522 ( -2.493 -0.141 1.409) 2.867 12.666 ( -3.772 1.021 1.313) 4.122 12.898 ( -1.143 0.793 2.604) 2.952 13.395 ( -1.181 -3.045 4.929) 5.913 13.516 ( 2.876 4.801 -2.116) 5.983 13.563 ( -2.063 -2.444 -0.573) 3.249 14.008 ( -4.696 -9.134 -8.588) 13.388 14.077 ( 2.956 5.566 2.171) 6.666 14.604 ( 2.191 -1.515 0.225) 2.673 15.006 ( -1.547 -6.228 -1.522) 6.595 15.287 ( -2.643 -9.121 3.318) 10.059 15.392 ( -4.715 -9.313 3.633) 11.053 15.416 ( -4.471 -13.031 3.183) 14.139 15.889 ( 7.774 -8.281 -0.937) 11.397 16.252 ( 2.533 3.246 -4.426) 6.045 16.448 ( -3.039 7.881 0.627) 8.469 16.633 ( -6.491 -4.311 6.281) 10.009 16.981 ( -0.646 -3.840 0.773) 3.970 17.159 ( -0.166 -5.160 0.862) 5.234 17.328 ( 1.943 -4.107 -0.941) 4.640 17.539 ( 0.867 -0.425 -2.432) 2.616 19.904 ( 5.982 -7.685 0.085) 9.739 20.033 ( 3.908 0.820 3.561) 5.350 20.759 ( 0.668 9.425 -1.521) 9.570 20.793 ( -0.782 10.497 0.866) 10.562 22.351 ( -4.821 -12.297 3.465) 13.655 22.434 ( 0.767 -9.417 -6.071) 11.231 23.187 ( -2.216 8.722 2.272) 9.281 23.244 ( 1.102 6.734 -1.650) 7.020 27.321 ( 1.517 -17.849 -0.931) 17.938 27.632 ( -7.788 -26.776 11.051) 29.996 28.870 ( 2.114 21.089 1.182) 21.228 29.221 ( 3.950 16.892 -6.231) 18.433 30.649 ( -0.683 -14.709 -1.152) 14.769 30.868 ( -2.336 -6.509 3.490) 7.746 30.905 ( -2.936 -6.390 2.903) 7.608 31.288 ( 1.865 -3.310 -0.802) 3.883 31.621 ( 1.636 -1.155 6.549) 6.849 31.720 ( 2.267 8.922 -4.668) 10.321 31.741 ( -3.625 5.324 0.320) 6.449 32.192 ( 11.291 -0.119 -18.896) 22.012 32.860 ( 4.235 -9.886 -3.340) 11.261 33.072 ( 3.953 -9.580 -2.710) 10.712 33.572 ( -0.792 5.081 -2.173) 5.583 33.651 ( -4.971 4.302 3.765) 7.576 35.424 ( -0.176 -1.475 0.907) 1.740 35.473 ( 0.511 -1.807 -1.157) 2.206 35.827 ( 1.828 -3.206 -5.098) 6.293 35.917 ( -1.819 -3.692 2.810) 4.984 36.317 ( -0.821 -5.468 4.922) 7.403 36.419 ( 3.567 0.389 3.617) 5.095 37.525 ( -16.785 7.295 16.197) 24.440 38.306 ( 6.370 22.889 -13.140) 27.151 ======================= Grid point 211 (102/114) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 12.058 -6.822 -1.843) 13.976 2.154 ( 9.902 -2.418 -5.592) 11.626 2.270 ( 10.270 0.371 10.107) 14.414 2.623 ( -6.547 0.435 1.483) 6.727 2.669 ( 3.483 -3.973 -1.844) 5.596 2.723 ( -1.003 -7.662 2.610) 8.156 2.953 ( -4.405 -8.572 2.670) 10.001 3.125 ( -2.870 -3.593 -2.205) 5.100 3.179 ( 8.452 -7.112 -8.117) 13.708 3.491 ( -6.181 -3.530 -5.870) 9.227 3.549 ( 0.169 -2.260 -1.393) 2.660 3.660 ( 0.436 3.395 -3.736) 5.067 3.682 ( -12.349 -7.858 -7.558) 16.474 3.909 ( 1.923 5.943 5.605) 8.393 4.145 ( -2.784 2.416 -5.727) 6.811 4.426 ( 0.440 0.318 6.262) 6.285 4.593 ( 0.172 3.049 0.566) 3.106 4.704 ( 1.157 -0.960 9.053) 9.177 4.815 ( 2.212 6.633 -0.253) 6.997 5.015 ( 0.671 1.774 2.573) 3.197 5.122 ( -7.028 1.331 -6.266) 9.509 5.352 ( 6.435 0.955 6.112) 8.926 5.401 ( -5.870 3.383 -6.040) 9.076 5.644 ( 0.352 0.840 2.269) 2.445 5.727 ( 1.805 -1.497 -3.032) 3.833 5.988 ( 4.776 1.194 7.296) 8.802 6.007 ( -1.509 -2.549 -3.473) 4.565 6.206 ( -0.783 -4.792 -1.249) 5.014 6.387 ( -1.617 -0.091 -4.844) 5.107 6.424 ( -6.450 0.952 3.015) 7.184 7.787 ( 1.755 3.005 3.081) 4.648 7.876 ( 0.767 0.162 1.344) 1.555 8.093 ( 3.525 3.249 2.856) 5.580 8.498 ( 3.478 1.539 -1.540) 4.103 8.964 ( -4.921 -3.224 -4.316) 7.297 9.035 ( 1.994 0.776 3.307) 3.939 9.244 ( -2.961 -0.035 -1.830) 3.482 9.397 ( -0.145 0.144 -4.340) 4.345 9.439 ( -1.293 1.526 1.119) 2.292 9.462 ( -1.171 0.549 -1.369) 1.883 9.734 ( 5.306 -4.257 2.462) 7.234 9.870 ( -2.188 -0.319 -0.427) 2.252 10.034 ( -1.086 6.799 0.292) 6.891 10.238 ( -4.166 -2.363 -1.040) 4.901 10.497 ( 1.659 6.975 -3.986) 8.203 10.519 ( 3.134 4.393 0.967) 5.483 11.176 ( -0.597 0.787 3.350) 3.493 11.355 ( 3.379 4.926 -5.157) 7.892 11.425 ( 1.423 -3.420 -2.294) 4.357 11.486 ( -0.876 -3.627 3.225) 4.932 11.599 ( -0.255 4.956 -4.874) 6.956 11.807 ( -3.961 -4.742 -3.639) 7.171 12.153 ( 0.662 -0.637 2.514) 2.677 12.401 ( 4.193 6.847 1.162) 8.113 12.445 ( -1.750 -8.592 0.918) 8.816 12.489 ( 1.244 1.611 3.004) 3.629 12.627 ( -4.552 -0.441 0.208) 4.578 12.827 ( -2.418 6.833 -2.265) 7.594 13.435 ( -0.218 1.206 -1.719) 2.111 13.517 ( 0.804 -2.573 6.208) 6.768 13.616 ( 1.261 -5.355 -0.629) 5.538 13.868 ( -3.680 4.230 -4.469) 7.170 14.225 ( 8.841 -2.979 1.699) 9.483 14.645 ( 0.824 -0.563 1.706) 1.976 15.097 ( -0.881 -6.706 0.283) 6.770 15.403 ( -0.359 0.404 -1.032) 1.165 15.413 ( -4.857 -1.966 2.629) 5.863 15.585 ( -3.301 -6.600 -0.177) 7.382 16.061 ( 7.961 -4.243 0.996) 9.076 16.220 ( -4.180 0.887 -2.100) 4.761 16.323 ( 3.475 1.107 -1.569) 3.970 16.688 ( -8.876 -2.693 4.064) 10.127 17.050 ( 1.490 -1.933 2.240) 3.313 17.237 ( -1.638 -4.004 -0.041) 4.326 17.391 ( 3.457 -0.314 -0.025) 3.471 17.546 ( -0.732 -1.471 -1.195) 2.032 20.081 ( 2.896 -4.061 1.749) 5.286 20.102 ( 3.339 -6.127 0.446) 6.992 20.565 ( -2.170 10.971 1.918) 11.346 20.615 ( 0.459 7.671 -2.825) 8.187 22.562 ( -2.288 -11.899 1.544) 12.215 22.593 ( 0.421 -11.122 -3.927) 11.803 23.020 ( -1.638 9.305 2.478) 9.767 23.100 ( -0.112 8.150 -2.085) 8.413 27.692 ( 3.733 -21.293 0.197) 21.618 28.046 ( -10.821 -20.852 6.422) 24.355 28.521 ( 2.033 20.515 4.400) 21.080 28.879 ( 2.149 19.268 -9.250) 21.481 30.892 ( 2.735 -9.985 2.068) 10.557 31.005 ( -1.662 -7.033 4.904) 8.734 31.043 ( 0.976 -6.939 3.980) 8.059 31.334 ( 5.391 -0.576 -1.043) 5.522 31.485 ( -1.893 11.103 -1.831) 11.412 31.536 ( 2.348 7.961 0.813) 8.340 31.834 ( -6.250 -7.168 5.644) 11.059 32.140 ( 4.853 0.881 -17.576) 18.255 33.048 ( 4.343 -8.032 -1.637) 9.277 33.246 ( 1.360 -8.277 -1.773) 8.574 33.445 ( -2.325 6.832 1.914) 7.466 33.557 ( -2.212 3.902 0.169) 4.488 35.455 ( 0.516 -1.027 0.823) 1.414 35.504 ( 0.206 -1.616 -0.560) 1.723 35.860 ( 1.233 -1.879 -3.007) 3.754 35.966 ( -1.962 -1.590 0.734) 2.630 36.423 ( -3.094 -3.494 6.898) 8.329 36.467 ( 5.078 -1.348 -1.817) 5.559 37.406 ( -8.031 4.414 14.234) 16.929 37.910 ( 2.944 14.719 -14.234) 20.687 ======================= Grid point 212 (103/114) ======================= q-point: ( 0.62 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 8.779 2.493 8.938) 12.774 2.155 ( -3.142 3.969 -0.161) 5.064 2.261 ( 7.600 11.070 6.786) 15.045 2.469 ( -10.283 5.844 -5.824) 13.184 2.765 ( 4.108 5.341 -2.916) 7.342 2.844 ( 7.093 -2.112 -0.895) 7.455 3.058 ( -1.651 -7.805 5.612) 9.754 3.200 ( 7.961 0.213 9.668) 12.526 3.363 ( -5.446 -7.862 2.946) 10.007 3.453 ( -0.251 -7.427 -3.753) 8.326 3.552 ( -1.306 1.171 -0.824) 1.938 3.641 ( -4.869 -5.770 -7.997) 10.998 3.723 ( -7.406 -6.713 -5.712) 11.512 3.849 ( 0.349 2.124 0.000) 2.152 4.103 ( 3.295 -1.202 -2.680) 4.414 4.465 ( -6.142 -2.876 0.979) 6.853 4.559 ( 0.407 1.476 0.569) 1.633 4.668 ( -1.546 4.751 -4.616) 6.802 4.796 ( 7.874 2.043 8.269) 11.600 4.995 ( 0.346 0.704 -2.889) 2.993 5.067 ( 1.687 -0.801 -1.267) 2.256 5.279 ( -6.851 -0.944 -6.884) 9.758 5.422 ( 6.644 1.938 6.040) 9.186 5.640 ( 1.102 1.608 -1.928) 2.741 5.749 ( 0.911 -1.221 2.595) 3.010 6.008 ( 2.647 1.302 -1.607) 3.359 6.017 ( -1.951 0.778 3.610) 4.177 6.190 ( -7.738 1.528 0.276) 7.892 6.415 ( 2.655 -3.919 -4.852) 6.779 6.431 ( -1.749 -3.632 2.261) 4.622 7.763 ( 0.842 1.618 3.080) 3.580 7.907 ( 0.550 -0.035 2.856) 2.909 8.114 ( 7.031 1.030 2.649) 7.584 8.426 ( -1.574 5.019 -4.495) 6.918 8.946 ( -4.435 -1.460 -3.184) 5.652 9.047 ( 1.124 1.542 0.715) 2.037 9.213 ( -3.555 0.286 0.381) 3.587 9.302 ( -3.428 1.106 -8.272) 9.022 9.420 ( -0.642 0.113 2.460) 2.545 9.476 ( -0.769 -2.733 -0.592) 2.900 9.774 ( 0.059 2.800 0.814) 2.917 9.935 ( -4.581 0.529 2.409) 5.203 10.005 ( 8.720 -7.612 3.947) 12.229 10.288 ( -0.932 -5.014 -0.739) 5.153 10.408 ( -2.529 1.020 1.585) 3.154 10.491 ( 4.907 2.749 -1.812) 5.910 11.175 ( 0.152 1.421 1.830) 2.322 11.263 ( -1.467 2.462 -4.377) 5.232 11.435 ( -1.623 1.296 -0.798) 2.224 11.482 ( -0.201 3.719 -3.944) 5.425 11.623 ( 1.878 -6.962 7.206) 10.194 11.885 ( -1.365 -6.762 -2.157) 7.228 12.229 ( 2.474 -5.000 0.831) 5.640 12.316 ( 5.280 8.229 4.056) 10.585 12.392 ( -3.443 1.785 -2.710) 4.731 12.581 ( -2.280 10.297 -3.182) 11.016 12.645 ( -2.279 -2.415 -0.722) 3.398 12.678 ( -1.942 -10.084 -0.227) 10.272 13.424 ( 2.506 1.130 -2.667) 3.831 13.512 ( -4.204 2.417 2.117) 5.291 13.790 ( 2.123 -7.992 1.010) 8.330 13.814 ( 5.864 0.136 3.232) 6.698 14.304 ( 5.813 1.370 3.556) 6.950 14.605 ( -3.718 4.427 -1.644) 6.011 15.254 ( 1.741 -9.159 2.884) 9.758 15.312 ( 2.587 7.295 2.851) 8.248 15.439 ( -2.424 -0.750 -5.186) 5.773 15.604 ( -6.447 -3.841 -3.775) 8.400 16.083 ( 5.246 8.338 2.161) 10.086 16.250 ( 0.611 -5.667 2.140) 6.088 16.362 ( 0.696 0.132 2.239) 2.349 16.654 ( -5.131 -1.717 -5.460) 7.687 17.090 ( 2.987 0.806 2.095) 3.737 17.258 ( -3.692 -0.269 -1.273) 3.915 17.404 ( 4.412 1.475 0.771) 4.715 17.546 ( -2.546 0.047 -0.364) 2.572 20.102 ( 1.554 3.949 -0.574) 4.282 20.163 ( -2.311 4.989 0.286) 5.506 20.463 ( 2.547 -2.574 -0.263) 3.631 20.537 ( -1.886 -1.510 0.385) 2.446 22.708 ( 0.399 -2.040 0.638) 2.174 22.749 ( -0.193 -3.296 -1.578) 3.659 22.894 ( 1.107 1.648 0.727) 2.114 22.979 ( -2.284 0.563 -0.721) 2.460 28.078 ( 1.262 17.394 4.130) 17.922 28.125 ( 5.630 -21.466 1.385) 22.235 28.369 ( -1.415 8.579 -6.289) 10.731 28.537 ( -8.972 -2.611 -1.862) 9.528 31.045 ( 2.980 -0.351 2.613) 3.979 31.100 ( 2.506 2.870 0.517) 3.845 31.141 ( 2.122 -5.576 2.426) 6.441 31.286 ( -2.349 4.768 0.361) 5.327 31.450 ( 3.949 2.136 1.402) 4.703 31.484 ( 5.440 -4.593 4.574) 8.462 31.862 ( -3.618 0.972 -2.998) 4.798 32.070 ( -6.579 -1.696 -5.329) 8.635 33.140 ( 2.566 1.687 -0.670) 3.143 33.260 ( -6.275 4.289 1.177) 7.692 33.434 ( 6.168 -4.231 -2.072) 7.761 33.516 ( -2.088 -1.736 1.682) 3.194 35.473 ( 0.924 0.241 0.850) 1.278 35.518 ( -0.298 -0.064 -0.305) 0.432 35.881 ( 1.255 -0.770 -1.645) 2.207 35.953 ( -3.160 0.532 -0.008) 3.205 36.447 ( -3.868 2.370 7.200) 8.510 36.491 ( 4.893 1.893 -5.844) 7.853 37.422 ( 5.791 -2.377 2.344) 6.684 37.729 ( -5.970 -1.877 -2.887) 6.892 ======================= Grid point 214 (104/114) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 1.503 8.807 5.735) 10.617 1.986 ( -4.692 11.693 2.766) 12.899 2.088 ( 1.908 12.821 5.136) 13.943 2.216 ( -6.990 9.676 -7.908) 14.319 2.720 ( 2.914 0.720 4.815) 5.675 2.828 ( -1.271 0.476 -6.169) 6.316 3.166 ( 6.167 6.258 9.992) 13.306 3.333 ( 3.374 -2.724 -4.073) 5.949 3.427 ( 1.496 -1.053 7.253) 7.480 3.490 ( 0.972 3.395 5.119) 6.219 3.580 ( -0.878 -3.008 -1.313) 3.398 3.689 ( -6.848 -0.533 -7.554) 10.210 3.750 ( 2.737 -8.325 1.009) 8.821 3.829 ( -2.001 0.420 -4.282) 4.745 4.179 ( 5.950 -2.502 4.357) 7.787 4.410 ( -11.159 -2.805 -9.529) 14.940 4.552 ( 0.233 1.417 7.266) 7.406 4.615 ( 1.156 -0.067 -4.911) 5.046 4.866 ( 7.655 1.259 6.174) 9.915 4.997 ( -1.114 -2.783 -4.961) 5.796 5.105 ( 3.122 -0.727 0.871) 3.322 5.214 ( -7.039 -0.027 -5.815) 9.131 5.492 ( 6.744 -3.243 -0.189) 7.485 5.581 ( -5.078 -1.080 -0.121) 5.193 5.841 ( 6.649 -1.497 4.993) 8.449 5.961 ( -0.249 4.738 0.517) 4.772 6.027 ( -0.785 -3.660 0.076) 3.744 6.108 ( -6.738 0.036 -1.269) 6.857 6.474 ( 2.379 -2.749 0.553) 3.677 6.512 ( 0.058 -4.448 -1.784) 4.792 7.782 ( 4.150 0.575 3.159) 5.247 7.904 ( -5.819 -0.640 -0.179) 5.857 8.171 ( 6.985 0.896 2.288) 7.404 8.273 ( -2.698 6.129 -3.151) 7.401 8.940 ( -1.631 -1.860 0.456) 2.515 8.993 ( -1.355 1.278 -4.210) 4.603 9.196 ( -2.524 -0.561 2.947) 3.920 9.251 ( -2.891 -1.049 -5.299) 6.127 9.482 ( 2.470 -4.671 0.812) 5.346 9.530 ( -1.761 -4.990 -1.367) 5.465 9.774 ( 2.625 0.713 5.419) 6.063 9.869 ( -4.013 2.777 -1.981) 5.267 10.213 ( 9.516 -1.393 6.081) 11.379 10.349 ( -1.666 -1.497 -0.952) 2.433 10.453 ( -5.313 -6.613 4.348) 9.532 10.473 ( 2.452 -2.023 -5.488) 6.343 11.149 ( 0.790 1.143 -0.711) 1.561 11.199 ( -4.742 -0.046 -2.232) 5.241 11.388 ( -0.131 2.100 0.944) 2.306 11.420 ( -1.110 1.760 -1.936) 2.843 11.811 ( 4.616 -5.073 8.000) 10.538 11.956 ( -3.470 -3.798 -4.070) 6.559 12.247 ( 4.004 5.161 4.223) 7.778 12.321 ( -0.735 5.000 -3.459) 6.124 12.351 ( -0.058 -5.179 0.651) 5.220 12.381 ( -1.230 -0.852 -2.924) 3.285 12.738 ( 2.600 -5.357 1.726) 6.200 12.815 ( -2.928 -6.676 -2.146) 7.599 13.394 ( 3.584 1.907 -3.641) 5.453 13.433 ( -5.131 2.558 1.899) 6.039 13.856 ( 7.370 2.814 6.822) 10.430 13.958 ( 0.807 -3.130 -1.964) 3.782 14.337 ( 3.068 0.511 7.112) 7.762 14.474 ( -4.434 1.110 -6.423) 7.884 15.222 ( 2.155 6.367 3.116) 7.409 15.306 ( -2.965 6.179 -5.305) 8.667 15.467 ( 4.320 -5.359 5.819) 9.013 15.610 ( -3.835 -1.744 -5.648) 7.046 16.005 ( 8.278 7.580 1.641) 11.343 16.160 ( -9.171 7.038 -0.039) 11.560 16.482 ( 3.491 -4.620 7.441) 9.429 16.616 ( -0.876 -0.991 -10.030) 10.117 17.089 ( 3.855 3.268 1.581) 5.295 17.176 ( -4.511 4.112 -1.690) 6.333 17.425 ( 4.697 1.069 1.270) 4.982 17.507 ( -4.139 0.946 -0.327) 4.258 19.977 ( -0.813 8.896 -0.316) 8.939 19.987 ( -1.675 9.058 -0.815) 9.248 20.608 ( 3.073 -9.202 -2.168) 9.941 20.627 ( -2.683 -8.161 2.530) 8.955 22.620 ( 2.595 10.145 -0.580) 10.488 22.642 ( -1.270 9.366 1.184) 9.526 23.025 ( 2.470 -9.545 -1.943) 10.049 23.056 ( -3.589 -8.589 0.949) 9.357 27.752 ( 2.617 22.258 7.386) 23.596 27.911 ( -2.381 23.770 -12.957) 27.176 28.591 ( 8.310 -21.546 2.867) 23.271 28.760 ( -10.511 -20.518 0.009) 23.053 30.978 ( 1.966 7.419 1.995) 7.930 31.005 ( 0.963 7.505 -2.010) 7.829 31.230 ( 8.478 3.260 4.200) 10.007 31.318 ( -0.006 -4.316 -0.332) 4.329 31.467 ( 1.940 -1.802 1.621) 3.105 31.585 ( -4.855 -0.767 -1.879) 5.262 31.819 ( 8.625 -0.227 -0.659) 8.653 32.016 ( -14.938 -1.687 1.969) 15.162 33.050 ( 1.575 8.318 2.127) 8.729 33.115 ( -3.924 7.332 -1.638) 8.476 33.555 ( 2.704 -5.281 0.534) 5.957 33.585 ( -0.400 -5.126 -0.549) 5.171 35.471 ( 1.435 1.315 0.713) 2.073 35.498 ( -1.041 1.357 -0.197) 1.722 35.887 ( 1.024 0.523 -0.355) 1.203 35.913 ( -2.552 1.197 -0.174) 2.824 36.378 ( -2.558 5.640 4.814) 7.844 36.403 ( 2.779 6.413 -6.165) 9.319 37.615 ( 17.906 -10.379 -6.700) 21.754 37.815 ( -16.381 -14.103 6.334) 22.525 ======================= Grid point 215 (105/114) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 1.479 7.523 -7.779) 10.922 1.778 ( -1.479 7.523 7.779) 10.922 2.004 ( 0.997 3.174 -11.839) 12.297 2.004 ( -0.997 3.174 11.839) 12.297 2.790 ( -0.132 -1.500 -8.970) 9.095 2.790 ( 0.132 -1.500 8.970) 9.095 3.077 ( -6.658 15.855 -10.124) 19.955 3.077 ( 6.658 15.855 10.124) 19.955 3.493 ( -6.462 8.937 -7.183) 13.161 3.493 ( 6.462 8.937 7.183) 13.161 3.585 ( -0.695 -2.833 -10.553) 10.948 3.585 ( 0.695 -2.833 10.553) 10.948 3.855 ( -2.563 -4.305 -4.448) 6.700 3.855 ( 2.563 -4.305 4.448) 6.700 4.335 ( -7.958 -3.733 -11.196) 14.235 4.335 ( 7.958 -3.733 11.196) 14.235 4.578 ( -0.409 0.964 -7.263) 7.338 4.578 ( 0.409 0.964 7.263) 7.339 4.941 ( -6.490 0.880 -6.749) 9.405 4.941 ( 6.490 0.880 6.749) 9.405 5.162 ( -2.446 -2.638 -1.308) 3.828 5.162 ( 2.446 -2.638 1.308) 3.828 5.618 ( 2.480 -3.135 -4.239) 5.826 5.618 ( -2.480 -3.135 4.239) 5.826 5.890 ( 3.007 0.178 -2.379) 3.839 5.890 ( -3.007 0.178 2.379) 3.839 6.124 ( 2.514 -5.717 -6.216) 8.811 6.124 ( -2.514 -5.717 6.216) 8.811 6.553 ( -1.681 -2.515 -2.930) 4.212 6.553 ( 1.681 -2.515 2.930) 4.212 7.835 ( -7.564 0.552 -3.250) 8.251 7.835 ( 7.564 0.552 3.250) 8.251 8.192 ( 2.286 0.483 -3.747) 4.416 8.192 ( -2.286 0.483 3.747) 4.416 9.002 ( -0.294 -4.926 -3.166) 5.863 9.002 ( 0.294 -4.926 3.166) 5.863 9.215 ( -1.100 0.374 -4.055) 4.218 9.215 ( 1.100 0.374 4.055) 4.218 9.594 ( -2.386 -3.736 -0.974) 4.538 9.594 ( 2.386 -3.736 0.974) 4.538 9.789 ( -0.057 2.036 -1.397) 2.470 9.789 ( 0.057 2.036 1.397) 2.470 10.251 ( -6.699 5.301 -3.990) 9.428 10.251 ( 6.699 5.301 3.990) 9.428 10.580 ( 4.283 -7.724 -5.092) 10.195 10.580 ( -4.283 -7.724 5.092) 10.195 11.179 ( -4.632 -2.623 -0.472) 5.344 11.179 ( 4.632 -2.623 0.472) 5.344 11.370 ( 2.487 1.187 -4.439) 5.225 11.370 ( -2.487 1.187 4.439) 5.225 11.900 ( -4.296 2.821 -4.043) 6.539 11.900 ( 4.296 2.821 4.043) 6.539 12.283 ( 0.618 -4.637 -5.132) 6.944 12.283 ( -0.618 -4.637 5.132) 6.944 12.460 ( -0.626 -6.657 -3.651) 7.619 12.460 ( 0.626 -6.657 3.651) 7.619 12.839 ( -2.290 -0.642 -3.812) 4.493 12.839 ( 2.290 -0.642 3.812) 4.493 13.397 ( 4.825 -1.196 -3.214) 5.919 13.397 ( -4.825 -1.196 3.214) 5.919 13.846 ( -5.652 7.894 -4.578) 10.734 13.846 ( 5.652 7.894 4.578) 10.734 14.454 ( -4.809 -4.431 -3.854) 7.591 14.454 ( 4.809 -4.431 3.854) 7.591 15.137 ( -2.183 7.455 -3.705) 8.606 15.137 ( 2.183 7.455 3.705) 8.606 15.512 ( 0.601 7.119 -4.337) 8.357 15.512 ( -0.601 7.119 4.337) 8.357 15.957 ( -9.736 6.646 -4.307) 12.550 15.957 ( 9.736 6.646 4.307) 12.550 16.601 ( -0.134 -3.777 -4.973) 6.246 16.601 ( 0.134 -3.777 4.973) 6.246 17.062 ( -1.658 3.495 -2.490) 4.600 17.062 ( 1.658 3.495 2.490) 4.600 17.443 ( -4.487 2.004 -1.982) 5.299 17.443 ( 4.487 2.004 1.982) 5.299 19.836 ( -0.406 6.056 -3.677) 7.097 19.836 ( 0.406 6.056 3.677) 7.097 20.779 ( 2.125 -8.811 -3.337) 9.658 20.779 ( -2.125 -8.811 3.337) 9.658 22.449 ( 2.084 10.574 -2.188) 10.998 22.449 ( -2.084 10.574 2.188) 10.998 23.191 ( 3.783 -7.968 -5.084) 10.181 23.191 ( -3.783 -7.968 5.084) 10.181 27.421 ( -1.694 21.522 -7.745) 22.936 27.421 ( 1.694 21.522 7.745) 22.936 29.045 ( -8.261 -19.844 -2.488) 21.638 29.045 ( 8.261 -19.844 2.488) 21.638 30.877 ( 0.129 5.669 -2.132) 6.058 30.877 ( -0.129 5.669 2.132) 6.058 31.222 ( -6.293 8.447 -7.840) 13.131 31.222 ( 6.293 8.447 7.840) 13.131 31.558 ( -7.918 -2.969 -0.870) 8.501 31.558 ( 7.918 -2.969 0.870) 8.501 31.943 ( -6.365 -2.702 -2.150) 7.242 31.943 ( 6.365 -2.702 2.150) 7.242 32.930 ( -2.051 8.451 -3.775) 9.480 32.930 ( 2.051 8.451 3.775) 9.480 33.658 ( 4.417 -4.000 -8.146) 10.093 33.658 ( -4.417 -4.000 8.146) 10.093 35.460 ( -0.198 1.386 -1.025) 1.735 35.460 ( 0.198 1.386 1.025) 1.735 35.869 ( 2.595 2.362 -4.773) 5.924 35.869 ( -2.595 2.362 4.773) 5.924 36.285 ( 2.086 4.785 -2.717) 5.885 36.285 ( -2.086 4.785 2.717) 5.885 37.974 ( -19.607 -15.324 4.562) 25.299 37.974 ( 19.607 -15.324 -4.562) 25.299 ======================= Grid point 219 (106/114) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 11.965 0.000 -23.162) 26.070 1.663 ( 18.716 0.000 -27.459) 33.230 2.212 ( -4.852 -0.000 -14.882) 15.653 2.408 ( -10.512 -0.000 0.649) 10.532 2.419 ( 6.390 0.000 -24.533) 25.352 2.633 ( 11.509 0.000 -0.441) 11.518 2.985 ( 6.781 0.000 15.204) 16.648 3.030 ( -3.802 -0.000 5.094) 6.356 3.060 ( 7.950 0.000 9.233) 12.184 3.290 ( 2.521 0.000 8.859) 9.211 3.511 ( -4.241 -0.000 1.232) 4.416 3.620 ( -0.993 -0.000 0.294) 1.036 3.826 ( 0.024 0.000 -0.249) 0.251 3.949 ( -10.414 -0.000 3.294) 10.923 4.205 ( -2.667 -0.000 -8.601) 9.005 4.333 ( 2.458 0.000 9.395) 9.711 4.586 ( -4.084 -0.000 11.264) 11.981 4.809 ( 0.285 0.000 1.828) 1.850 4.913 ( 0.294 0.000 -4.644) 4.653 4.946 ( -2.112 -0.000 -5.384) 5.783 5.105 ( -5.343 -0.000 2.443) 5.875 5.433 ( -0.561 -0.000 0.102) 0.570 5.534 ( 8.522 0.000 11.669) 14.449 5.610 ( -1.289 -0.000 -9.720) 9.805 5.736 ( -9.347 -0.000 -3.287) 9.908 5.813 ( -12.764 -0.000 -5.912) 14.066 6.168 ( 3.523 0.000 -4.746) 5.911 6.188 ( -3.810 -0.000 -0.828) 3.899 6.550 ( -3.388 -0.000 -1.625) 3.757 6.600 ( -1.663 -0.000 -0.725) 1.814 7.829 ( 7.769 0.000 0.942) 7.826 8.183 ( -4.556 -0.000 -0.495) 4.583 8.255 ( 2.168 0.000 4.092) 4.631 8.332 ( 9.747 0.000 5.209) 11.052 8.911 ( -5.507 -0.000 1.544) 5.719 9.031 ( -3.132 -0.000 1.810) 3.617 9.212 ( 2.361 0.000 -5.364) 5.861 9.285 ( -0.647 -0.000 -8.288) 8.313 9.455 ( -2.333 -0.000 0.387) 2.364 9.520 ( -6.983 -0.000 -1.393) 7.121 9.802 ( 4.815 0.000 -6.685) 8.239 9.812 ( -1.924 -0.000 0.853) 2.105 10.205 ( 11.734 0.000 3.246) 12.174 10.298 ( 1.997 0.000 2.691) 3.351 10.825 ( 5.439 0.000 -7.248) 9.062 10.870 ( -8.469 -0.000 4.302) 9.499 11.105 ( -1.910 -0.000 0.026) 1.911 11.300 ( -5.958 -0.000 5.767) 8.292 11.423 ( 0.340 0.000 1.179) 1.227 11.568 ( -2.030 -0.000 -7.868) 8.125 11.845 ( 14.697 0.000 -3.229) 15.048 11.944 ( -6.283 -0.000 -8.273) 10.388 12.110 ( -3.116 -0.000 -2.917) 4.269 12.335 ( -5.359 -0.000 1.604) 5.594 12.433 ( -2.242 -0.000 -1.205) 2.545 12.586 ( 3.007 0.000 10.189) 10.624 12.856 ( 8.975 0.000 4.038) 9.841 12.909 ( -1.200 -0.000 2.792) 3.039 13.385 ( -2.987 -0.000 1.132) 3.194 13.540 ( 3.663 0.000 -2.188) 4.267 13.552 ( -3.289 -0.000 1.240) 3.515 13.727 ( -0.687 -0.000 -1.827) 1.952 14.245 ( -9.937 -0.000 -5.481) 11.349 14.488 ( 0.638 0.000 2.077) 2.173 14.547 ( -0.153 -0.000 1.996) 2.002 14.988 ( 0.341 0.000 -2.145) 2.172 15.072 ( -6.709 -0.000 1.598) 6.896 15.159 ( 2.369 0.000 -3.470) 4.202 15.699 ( 10.328 0.000 0.284) 10.332 16.360 ( 6.064 0.000 0.155) 6.066 16.637 ( -5.804 -0.000 -1.085) 5.904 16.655 ( -3.868 -0.000 -3.405) 5.153 16.942 ( -2.518 -0.000 1.449) 2.905 16.984 ( -0.014 -0.000 -0.337) 0.337 17.179 ( 0.203 0.000 -0.380) 0.430 17.531 ( 1.316 0.000 -3.375) 3.622 19.759 ( 6.524 0.000 1.298) 6.652 20.124 ( 4.895 0.000 4.248) 6.482 20.969 ( 2.340 0.000 -1.297) 2.675 21.037 ( -0.685 -0.000 2.733) 2.817 22.079 ( -5.834 -0.000 3.991) 7.069 22.228 ( 0.038 0.000 -5.333) 5.334 23.368 ( 2.643 0.000 -4.211) 4.971 23.372 ( -3.085 -0.000 3.109) 4.380 26.960 ( 0.281 0.000 0.072) 0.290 26.961 ( 0.074 0.000 0.316) 0.325 29.404 ( 3.163 0.000 0.966) 3.307 29.561 ( 1.213 0.000 -4.268) 4.437 30.236 ( -2.734 -0.000 -0.783) 2.843 30.731 ( -1.425 -0.000 2.097) 2.536 30.797 ( -2.400 -0.000 3.686) 4.398 31.151 ( 6.547 0.000 -1.390) 6.693 31.479 ( -1.347 -0.000 4.730) 4.918 31.938 ( -0.309 -0.000 -3.275) 3.290 32.066 ( 14.519 0.000 -18.449) 23.477 32.132 ( 2.509 0.000 -0.910) 2.669 32.607 ( 1.177 0.000 -4.163) 4.327 32.838 ( 8.729 0.000 -12.186) 14.990 33.660 ( 2.337 0.000 -5.368) 5.855 33.742 ( -7.786 -0.000 7.698) 10.949 35.394 ( -1.750 -0.000 2.477) 3.033 35.438 ( 1.696 0.000 -3.053) 3.492 35.729 ( 2.861 0.000 -5.836) 6.500 35.832 ( -5.465 -0.000 5.304) 7.616 36.213 ( 3.435 0.000 1.559) 3.773 36.449 ( 2.323 0.000 6.998) 7.373 37.689 ( -19.585 -0.000 18.148) 26.701 38.869 ( -0.621 -0.000 -4.807) 4.847 ======================= Grid point 220 (107/114) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 14.024 -13.677 -15.363) 24.895 1.783 ( 18.959 -15.788 -20.170) 31.867 2.091 ( -9.331 -3.746 -1.979) 10.247 2.369 ( -15.570 -9.511 -8.803) 20.257 2.417 ( 15.790 -2.797 -19.913) 25.567 2.724 ( 0.153 1.067 7.552) 7.629 2.847 ( 8.907 11.277 3.020) 14.685 2.968 ( 5.253 5.991 -2.405) 8.323 3.266 ( 1.735 -0.064 7.443) 7.643 3.383 ( -1.463 -0.986 8.642) 8.821 3.573 ( -5.481 0.246 -2.298) 5.948 3.625 ( 3.140 -5.205 2.276) 6.491 3.771 ( -4.550 5.003 1.084) 6.849 3.924 ( -0.949 -3.819 2.986) 4.940 4.154 ( -1.450 -0.031 -3.460) 3.751 4.441 ( -2.708 -3.251 6.554) 7.801 4.653 ( 1.105 -1.383 13.689) 13.803 4.787 ( 0.712 4.867 4.384) 6.589 4.888 ( 3.064 -1.780 -1.673) 3.919 4.984 ( -3.093 -6.240 -3.904) 7.984 5.064 ( -4.109 1.357 2.506) 5.000 5.382 ( -2.971 0.176 -5.098) 5.903 5.506 ( -7.187 1.876 -9.458) 12.026 5.610 ( -1.367 1.007 -3.267) 3.682 5.683 ( 1.043 -1.459 5.243) 5.541 5.778 ( -7.058 -6.418 -5.117) 10.826 6.128 ( 3.987 3.346 -1.505) 5.418 6.162 ( 0.147 1.556 1.042) 1.878 6.461 ( -4.929 3.957 -2.744) 6.891 6.549 ( -2.459 3.657 -0.739) 4.468 7.874 ( 6.288 1.755 3.187) 7.265 8.043 ( -5.631 7.420 -2.545) 9.656 8.251 ( 0.479 3.826 2.060) 4.371 8.462 ( 7.601 -2.565 3.963) 8.948 8.906 ( -1.976 -0.486 3.017) 3.639 9.062 ( -2.015 -3.111 2.557) 4.503 9.181 ( 0.685 1.360 -3.077) 3.433 9.242 ( -1.159 -3.571 -10.449) 11.104 9.431 ( -0.350 -0.524 -0.850) 1.058 9.480 ( -6.843 -0.724 -2.647) 7.373 9.774 ( 2.518 1.882 -3.085) 4.404 9.838 ( 2.412 -1.633 -0.584) 2.971 10.269 ( 8.817 4.681 2.044) 10.190 10.301 ( -0.581 2.721 1.703) 3.262 10.695 ( -11.528 5.771 -0.693) 12.910 10.772 ( 3.807 5.516 -7.046) 9.725 11.181 ( -2.342 -7.240 0.031) 7.609 11.260 ( -5.589 2.031 4.762) 7.618 11.418 ( -1.629 -0.152 0.471) 1.703 11.517 ( -1.058 -0.295 -9.250) 9.315 11.780 ( 4.255 6.552 -5.214) 9.393 11.821 ( 1.651 5.495 -7.992) 9.839 12.177 ( 7.296 -0.418 2.281) 7.656 12.317 ( -4.387 1.842 6.618) 8.151 12.419 ( -0.233 -2.131 1.098) 2.408 12.658 ( 3.167 4.174 5.757) 7.785 12.776 ( 3.746 8.883 2.068) 9.860 12.907 ( -2.501 0.292 1.995) 3.212 13.371 ( -1.945 -0.759 1.855) 2.793 13.533 ( -0.224 -0.387 1.927) 1.978 13.583 ( 1.625 0.965 -3.051) 3.589 13.747 ( -8.257 -8.365 -8.228) 14.348 14.222 ( 9.173 3.542 7.210) 12.193 14.571 ( 0.310 -2.184 0.521) 2.266 14.811 ( 0.200 -20.458 5.552) 21.199 15.072 ( -4.079 -11.614 1.697) 12.426 15.116 ( -5.574 -9.602 1.737) 11.238 15.228 ( 2.263 -7.624 -0.278) 7.958 15.837 ( 10.333 -5.286 -0.178) 11.608 16.316 ( -1.235 5.318 -4.554) 7.110 16.529 ( -3.951 3.532 1.264) 5.448 16.607 ( -4.092 2.512 -0.825) 4.872 16.924 ( 0.866 -1.730 1.359) 2.364 17.063 ( -0.469 -5.630 0.400) 5.664 17.247 ( 1.742 -5.503 0.401) 5.786 17.513 ( -0.810 -0.489 -4.733) 4.826 19.856 ( 6.978 -3.685 1.825) 8.100 20.124 ( 1.958 3.537 1.489) 4.309 20.913 ( 2.362 7.099 -1.584) 7.648 20.967 ( -1.339 7.958 2.116) 8.343 22.143 ( -5.195 -8.497 4.897) 11.098 22.253 ( 0.362 -6.482 -7.343) 9.802 23.308 ( -1.592 5.388 0.235) 5.624 23.330 ( -0.621 3.761 -1.732) 4.186 27.064 ( 1.224 -11.277 -0.157) 11.344 27.174 ( -4.292 -20.996 3.772) 21.760 29.255 ( 3.339 16.829 2.483) 17.336 29.452 ( 0.624 10.137 -5.648) 11.621 30.441 ( 9.691 -12.635 10.625) 19.143 30.777 ( -0.936 -4.414 3.415) 5.658 30.823 ( -2.565 -2.787 3.541) 5.185 31.238 ( 5.427 -4.070 -0.782) 6.828 31.539 ( -2.407 -5.490 3.873) 7.137 31.834 ( -1.674 6.236 -5.905) 8.750 31.943 ( 5.131 11.368 -5.730) 13.726 32.146 ( 6.081 0.045 -15.582) 16.727 32.702 ( 4.038 -9.317 -2.664) 10.498 32.906 ( 5.025 -8.207 -9.746) 13.696 33.628 ( 1.762 2.566 -3.788) 4.902 33.696 ( -7.179 2.752 5.892) 9.686 35.408 ( -0.561 -1.010 2.207) 2.491 35.443 ( 1.175 -1.075 -2.177) 2.698 35.752 ( 3.226 -3.210 -5.844) 7.407 35.844 ( -5.714 -3.103 4.598) 7.963 36.277 ( 3.685 -2.437 2.669) 5.162 36.480 ( 0.672 1.176 4.146) 4.362 37.633 ( -12.801 5.160 23.194) 26.990 38.617 ( -4.284 17.219 -15.429) 23.514 ======================= Grid point 221 (108/114) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 15.950 -13.493 -2.610) 21.054 2.189 ( 18.354 -9.593 -7.219) 21.932 2.270 ( 2.294 -15.682 10.444) 18.981 2.377 ( -10.815 -13.451 -12.177) 21.123 2.534 ( -2.824 -16.089 -9.191) 18.743 2.661 ( -4.503 3.611 2.282) 6.207 2.783 ( 5.970 6.633 1.668) 9.078 2.973 ( 3.813 -5.715 -4.411) 8.164 3.277 ( 6.851 3.492 0.999) 7.754 3.376 ( -4.278 3.077 4.915) 7.206 3.482 ( -7.302 0.711 -5.875) 9.399 3.616 ( -5.019 7.425 -1.104) 9.030 3.704 ( 3.297 -0.407 0.502) 3.360 4.008 ( -0.258 -1.613 0.114) 1.637 4.124 ( -0.114 1.424 -0.553) 1.532 4.433 ( -9.876 0.942 3.164) 10.413 4.695 ( 1.735 6.487 5.137) 8.455 4.785 ( 5.857 0.345 9.301) 10.997 4.932 ( 3.166 3.464 1.008) 4.800 5.024 ( -2.124 -2.942 -1.153) 3.807 5.070 ( -0.349 -1.065 2.481) 2.722 5.313 ( -9.608 1.522 -10.364) 14.214 5.419 ( 1.115 -3.766 0.734) 3.996 5.625 ( 1.788 -3.292 -0.148) 3.749 5.714 ( -1.440 -0.606 -1.099) 1.911 5.822 ( -5.802 -7.611 -8.237) 12.627 6.138 ( 7.581 0.607 2.861) 8.125 6.157 ( 1.479 2.211 6.883) 7.379 6.347 ( -4.817 1.343 -4.150) 6.498 6.437 ( -4.241 4.807 -0.667) 6.446 7.882 ( -2.036 4.127 -1.275) 4.775 7.917 ( 3.483 1.452 4.868) 6.159 8.194 ( 3.559 4.051 1.956) 5.736 8.520 ( -0.040 0.489 -2.251) 2.304 8.915 ( 1.419 0.082 2.305) 2.708 9.102 ( 2.274 1.146 3.285) 4.156 9.178 ( -2.805 -2.579 -1.402) 4.060 9.299 ( -0.223 -6.599 -6.840) 9.507 9.398 ( -6.551 0.759 -4.464) 7.964 9.440 ( -1.486 -1.469 -1.865) 2.801 9.781 ( 5.935 0.118 3.101) 6.697 9.861 ( 1.382 0.699 -0.356) 1.589 10.170 ( -1.796 8.925 -1.035) 9.163 10.221 ( -2.461 3.498 -0.896) 4.370 10.572 ( -4.178 2.786 1.915) 5.375 10.630 ( 2.875 7.465 -5.862) 9.917 11.220 ( -1.878 1.825 6.654) 7.151 11.310 ( 1.010 -7.334 -1.725) 7.602 11.430 ( -1.470 -1.333 -2.278) 3.021 11.459 ( 3.636 0.621 -6.255) 7.262 11.674 ( 1.515 6.159 -3.126) 7.071 11.701 ( -2.911 2.135 -4.469) 5.745 12.206 ( 3.993 2.381 2.049) 5.080 12.331 ( -2.125 -2.473 5.154) 6.099 12.463 ( 1.374 -1.370 -0.257) 1.957 12.573 ( -0.070 6.029 0.500) 6.050 12.692 ( 1.177 6.245 4.651) 7.875 12.869 ( -3.112 2.270 -1.856) 4.276 13.445 ( 1.506 -3.521 4.037) 5.564 13.522 ( 1.198 1.682 -0.163) 2.071 13.560 ( -0.194 -0.924 -0.546) 1.091 13.754 ( -8.892 -5.463 -8.169) 13.253 14.332 ( 14.553 0.106 7.423) 16.337 14.624 ( 0.243 -2.886 -0.407) 2.925 15.002 ( 1.338 -4.622 2.056) 5.233 15.217 ( -5.353 -8.120 -1.682) 9.870 15.387 ( -5.508 -10.923 7.096) 14.142 15.413 ( -0.198 -11.125 0.735) 11.151 15.999 ( 8.134 -5.623 -2.108) 10.111 16.181 ( -3.504 2.478 -3.991) 5.860 16.443 ( 1.141 5.834 0.273) 5.951 16.574 ( -8.250 -3.282 3.944) 9.715 17.019 ( 2.820 -4.524 2.634) 5.946 17.151 ( -1.557 -4.509 -0.099) 4.771 17.368 ( 2.785 -4.906 0.780) 5.695 17.497 ( -1.552 -1.773 -3.584) 4.290 20.002 ( 5.662 -5.867 0.731) 8.186 20.098 ( 0.629 0.366 1.276) 1.469 20.757 ( 1.294 10.456 -1.324) 10.618 20.785 ( -1.515 11.378 0.867) 11.511 22.328 ( -4.234 -12.450 4.939) 14.047 22.374 ( 1.739 -10.553 -7.247) 12.919 23.175 ( -2.119 8.029 1.973) 8.535 23.216 ( -0.653 6.637 -3.098) 7.353 27.362 ( 4.290 -19.133 0.168) 19.609 27.567 ( -10.221 -24.809 4.158) 27.152 28.954 ( 3.420 21.209 4.429) 21.935 29.169 ( -0.384 17.271 -7.398) 18.792 30.767 ( 5.819 -8.673 5.217) 11.675 30.881 ( -3.060 -5.803 2.725) 7.104 30.979 ( 6.327 -9.619 14.637) 18.622 31.340 ( 5.416 -3.002 -1.171) 6.303 31.624 ( -3.025 1.174 -3.830) 5.020 31.667 ( -4.174 4.050 -2.565) 6.357 31.761 ( 1.589 7.182 5.557) 9.219 32.060 ( 3.067 0.647 -22.294) 22.514 32.914 ( 5.729 -10.385 -1.262) 11.927 33.064 ( 0.185 -10.553 -4.202) 11.360 33.553 ( 0.385 5.201 -0.420) 5.232 33.611 ( -4.366 4.075 2.121) 6.337 35.442 ( 0.532 -1.520 1.203) 2.010 35.468 ( 0.326 -1.903 -0.885) 2.124 35.810 ( 3.417 -3.323 -4.368) 6.465 35.894 ( -5.084 -4.095 2.722) 7.073 36.375 ( 2.423 -3.751 3.188) 5.487 36.480 ( -0.056 0.142 1.280) 1.289 37.570 ( -6.715 8.283 24.024) 26.285 38.136 ( -1.462 19.390 -22.055) 29.403 ======================= Grid point 222 (109/114) ======================= q-point: ( 0.62 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 13.466 -8.487 6.678) 17.261 2.206 ( 2.162 3.669 -1.957) 4.687 2.429 ( -4.596 0.267 -0.691) 4.655 2.506 ( -1.940 5.801 -7.272) 9.503 2.744 ( 6.710 -14.804 13.479) 21.115 2.827 ( 8.427 -8.386 4.083) 12.571 2.916 ( -1.124 -20.516 0.072) 20.546 3.126 ( 6.074 -6.200 -1.344) 8.783 3.198 ( -14.788 4.281 -8.237) 17.460 3.299 ( -9.988 -7.089 -8.462) 14.887 3.390 ( 6.635 -0.004 -0.637) 6.665 3.516 ( -4.177 -0.752 -1.840) 4.626 3.730 ( 5.529 3.647 5.815) 8.814 3.917 ( -6.261 5.837 -5.309) 10.072 4.135 ( 7.528 1.013 3.172) 8.231 4.342 ( -12.320 -0.338 -1.869) 12.465 4.632 ( 2.447 4.441 3.311) 6.056 4.730 ( -3.065 6.811 -4.061) 8.502 4.947 ( 6.096 2.070 7.183) 9.646 5.024 ( 2.775 2.290 -6.368) 7.314 5.086 ( 1.544 0.121 5.083) 5.314 5.189 ( -6.122 -0.243 -5.450) 8.200 5.531 ( 5.151 -0.549 7.491) 9.107 5.666 ( -0.543 1.909 -3.599) 4.110 5.723 ( 1.791 -4.464 2.305) 5.334 5.865 ( -7.488 -7.103 -7.361) 12.677 6.147 ( 2.730 5.332 6.593) 8.908 6.198 ( 0.203 2.296 0.556) 2.371 6.322 ( 1.511 -4.092 -4.295) 6.122 6.360 ( -4.879 -2.310 0.837) 5.463 7.835 ( 2.922 2.084 2.416) 4.327 7.919 ( -3.262 0.748 0.594) 3.399 8.217 ( 9.641 1.700 5.192) 11.082 8.438 ( -6.226 2.522 -6.556) 9.387 8.949 ( 5.048 1.529 5.304) 7.480 9.100 ( -0.047 2.338 1.253) 2.653 9.191 ( -2.517 -0.876 -0.176) 2.671 9.223 ( -6.267 0.683 -10.620) 12.350 9.421 ( 0.337 -2.744 -0.062) 2.765 9.440 ( -1.361 -0.481 -0.552) 1.545 9.807 ( 1.673 2.237 3.504) 4.481 9.903 ( -1.060 -0.697 -4.792) 4.958 10.021 ( 3.487 1.245 7.413) 8.286 10.178 ( -4.198 -3.165 -4.234) 6.750 10.493 ( 0.191 5.205 3.245) 6.137 10.538 ( 1.317 2.815 -3.956) 5.031 11.225 ( -0.942 1.618 7.404) 7.637 11.305 ( 1.493 3.776 -9.340) 10.185 11.458 ( 5.459 1.655 -1.059) 5.802 11.531 ( -3.582 -1.130 2.428) 4.473 11.553 ( 3.729 -0.848 1.319) 4.045 11.695 ( -6.028 -7.603 -4.632) 10.751 12.224 ( 4.641 0.041 3.044) 5.550 12.352 ( -6.744 -0.790 -2.781) 7.337 12.494 ( 5.064 0.810 0.900) 5.206 12.533 ( -0.447 -3.548 1.601) 3.918 12.618 ( 0.453 5.360 4.352) 6.919 12.723 ( -4.381 8.683 -5.460) 11.154 13.464 ( 4.232 1.516 -0.277) 4.504 13.522 ( -4.475 1.441 2.074) 5.138 13.666 ( 4.506 -8.464 0.702) 9.615 13.763 ( -4.807 -5.883 -2.725) 8.071 14.453 ( 12.713 2.996 4.374) 13.774 14.627 ( -5.289 1.754 -0.548) 5.599 15.140 ( 3.012 -7.525 4.715) 9.377 15.276 ( -5.853 -7.236 -5.649) 10.887 15.449 ( 1.457 2.513 3.197) 4.320 15.521 ( -3.339 -1.395 -2.334) 4.306 16.150 ( 2.992 -6.941 -1.193) 7.652 16.165 ( -2.309 -2.895 1.205) 3.894 16.401 ( 8.824 2.278 -0.306) 9.118 16.557 ( -10.859 -0.677 0.721) 10.904 17.118 ( 3.355 -2.061 2.513) 4.671 17.193 ( -3.141 -2.700 -1.375) 4.364 17.450 ( 3.553 -1.059 0.622) 3.759 17.507 ( -2.552 -1.754 -1.027) 3.262 20.132 ( 1.222 -2.816 1.309) 3.337 20.141 ( 1.449 -4.140 -0.491) 4.413 20.565 ( -0.851 10.157 2.210) 10.429 20.587 ( -0.016 8.571 -2.568) 8.948 22.552 ( -1.334 -12.271 1.788) 12.472 22.562 ( 0.668 -12.107 -2.859) 12.458 23.029 ( -0.555 8.255 2.464) 8.633 23.061 ( -0.743 7.816 -2.752) 8.319 27.786 ( 7.452 -22.126 0.683) 23.357 27.921 ( -10.263 -21.982 1.531) 24.308 28.621 ( 3.035 21.990 6.682) 23.183 28.761 ( -2.715 21.286 -9.393) 23.424 30.956 ( 2.928 -8.448 0.519) 8.957 30.995 ( -2.797 -8.025 1.320) 8.601 31.233 ( 5.293 0.323 13.280) 14.300 31.393 ( 1.258 4.716 -7.329) 8.805 31.476 ( 4.514 0.708 3.466) 5.735 31.561 ( -0.888 3.934 -0.106) 4.034 31.805 ( -4.586 -3.022 8.245) 9.907 31.948 ( -1.128 -0.849 -18.655) 18.709 33.114 ( 5.493 -6.764 -0.394) 8.722 33.198 ( -4.266 -6.602 -1.281) 7.964 33.470 ( 2.169 4.155 1.304) 4.865 33.519 ( -2.759 3.253 -0.219) 4.271 35.477 ( 0.785 -1.107 1.054) 1.718 35.497 ( -0.280 -1.491 -0.785) 1.708 35.866 ( 3.611 -1.769 -2.117) 4.544 35.918 ( -4.726 -1.555 0.931) 5.062 36.464 ( -0.266 -2.183 4.544) 5.048 36.496 ( 1.446 -1.193 -2.526) 3.146 37.521 ( -1.182 6.130 18.024) 19.075 37.734 ( -0.938 10.542 -18.071) 20.942 ======================= Grid point 223 (110/114) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -1.678 6.985 -4.667) 8.567 2.126 ( 1.678 6.985 4.667) 8.567 2.351 ( -0.796 8.557 -1.932) 8.808 2.351 ( 0.796 8.557 1.932) 8.808 2.836 ( -6.930 7.706 -0.538) 10.377 2.836 ( 6.930 7.706 0.538) 10.377 3.191 ( -8.528 -12.628 -5.308) 16.136 3.191 ( 8.528 -12.628 5.309) 16.136 3.417 ( -4.766 -9.860 -6.255) 12.612 3.417 ( 4.766 -9.860 6.255) 12.612 3.500 ( -3.110 -4.950 -4.495) 7.374 3.500 ( 3.110 -4.950 4.495) 7.374 3.753 ( -0.153 0.734 -9.811) 9.840 3.753 ( 0.153 0.734 9.811) 9.840 4.237 ( -10.488 -1.431 -6.158) 12.246 4.237 ( 10.488 -1.431 6.158) 12.246 4.609 ( -1.137 2.013 -3.352) 4.072 4.609 ( 1.137 2.013 3.352) 4.072 4.955 ( 1.267 2.222 -6.916) 7.374 4.955 ( -1.267 2.222 6.916) 7.374 5.140 ( -3.900 -0.648 -3.421) 5.229 5.140 ( 3.900 -0.648 3.421) 5.229 5.567 ( -3.814 3.705 -5.998) 8.016 5.567 ( 3.814 3.705 5.998) 8.016 5.875 ( -6.006 -4.660 -7.016) 10.344 5.875 ( 6.006 -4.660 7.016) 10.344 6.095 ( 0.459 4.577 -3.930) 6.050 6.095 ( -0.459 4.577 3.930) 6.050 6.418 ( 2.991 -4.856 -2.881) 6.390 6.418 ( -2.991 -4.856 2.881) 6.390 7.858 ( -4.996 1.147 -3.266) 6.078 7.858 ( 4.996 1.147 3.266) 6.078 8.290 ( -7.437 2.867 -6.461) 10.260 8.290 ( 7.437 2.867 6.461) 10.260 8.983 ( -5.106 3.125 -6.137) 8.573 8.983 ( 5.106 3.125 6.137) 8.573 9.193 ( 0.658 -1.054 -4.576) 4.742 9.193 ( -0.658 -1.054 4.576) 4.742 9.445 ( -0.349 -1.476 -2.255) 2.718 9.445 ( 0.349 -1.476 2.255) 2.718 9.832 ( -4.904 -0.042 -1.713) 5.195 9.832 ( 4.904 -0.042 1.713) 5.195 10.206 ( -6.654 -7.301 -5.009) 11.075 10.206 ( 6.654 -7.301 5.009) 11.075 10.459 ( -1.067 2.648 -6.875) 7.444 10.459 ( 1.067 2.648 6.875) 7.444 11.205 ( 2.994 3.459 -6.464) 7.919 11.205 ( -2.994 3.459 6.464) 7.919 11.436 ( -1.006 2.517 -1.900) 3.310 11.436 ( 1.006 2.517 1.900) 3.310 11.769 ( -5.081 -8.327 -7.333) 12.204 11.769 ( 5.081 -8.327 7.333) 12.204 12.298 ( -3.783 -1.578 -2.631) 4.871 12.298 ( 3.783 -1.578 2.631) 4.871 12.463 ( -5.348 10.197 -5.654) 12.828 12.463 ( 5.348 10.197 5.654) 12.828 12.645 ( 0.037 -7.101 -1.873) 7.343 12.645 ( -0.037 -7.101 1.873) 7.343 13.457 ( 3.349 2.658 -2.164) 4.792 13.457 ( -3.349 2.658 2.164) 4.792 13.853 ( -0.371 -7.377 -3.188) 8.045 13.853 ( 0.371 -7.377 3.188) 8.045 14.473 ( -5.642 5.833 -6.262) 10.250 14.473 ( 5.642 5.833 6.262) 10.250 15.325 ( -1.695 -2.408 -4.902) 5.718 15.325 ( 1.695 -2.408 4.902) 5.718 15.449 ( -6.997 -1.305 -3.736) 8.038 15.449 ( 6.997 -1.305 3.736) 8.038 16.194 ( -4.552 2.923 -2.591) 5.998 16.194 ( 4.552 2.923 2.591) 5.998 16.489 ( -4.388 -2.995 -8.202) 9.773 16.489 ( 4.388 -2.995 8.202) 9.773 17.174 ( -4.290 0.699 -2.172) 4.859 17.174 ( 4.290 0.699 2.172) 4.859 17.484 ( -4.055 0.645 -1.036) 4.234 17.484 ( 4.055 0.645 1.036) 4.234 20.128 ( -0.278 6.094 -0.648) 6.135 20.128 ( 0.278 6.094 0.648) 6.135 20.503 ( -2.596 -2.651 0.287) 3.722 20.503 ( 2.596 -2.651 -0.287) 3.722 22.726 ( 1.388 -3.575 -3.112) 4.939 22.726 ( -1.388 -3.575 3.112) 4.939 22.931 ( -1.027 1.372 -1.804) 2.488 22.931 ( 1.027 1.372 1.804) 2.488 28.163 ( -0.457 1.601 -5.822) 6.055 28.163 ( 0.457 1.601 5.822) 6.055 28.366 ( -4.599 -0.361 -3.237) 5.636 28.366 ( 4.599 -0.361 3.237) 5.636 31.094 ( -0.558 -0.960 -0.972) 1.476 31.094 ( 0.558 -0.960 0.972) 1.476 31.238 ( -2.367 1.181 -2.198) 3.439 31.238 ( 2.367 1.181 2.198) 3.439 31.542 ( -0.734 0.629 -4.236) 4.345 31.542 ( 0.734 0.629 4.236) 4.345 31.879 ( 2.972 -1.806 -13.110) 13.564 31.879 ( -2.972 -1.806 13.110) 13.564 33.187 ( -0.192 3.252 -1.592) 3.626 33.187 ( 0.192 3.252 1.592) 3.626 33.490 ( 3.818 -3.237 -2.438) 5.568 33.490 ( -3.818 -3.237 2.438) 5.568 35.500 ( -0.233 0.086 -1.561) 1.581 35.500 ( 0.233 0.086 1.561) 1.581 35.902 ( 1.703 -0.108 -2.918) 3.381 35.902 ( -1.703 -0.108 2.918) 3.381 36.478 ( 3.529 2.956 -7.611) 8.895 36.478 ( -3.529 2.956 7.611) 8.895 37.573 ( -1.315 -2.972 -8.882) 9.458 37.573 ( 1.315 -2.972 8.882) 9.458 ======================= Grid point 231 (111/114) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 19.012 0.000 -13.278) 23.190 1.665 ( 18.156 0.000 -20.338) 27.263 1.865 ( -18.345 -0.000 -8.445) 20.196 2.118 ( -16.716 -0.000 -5.692) 17.658 2.477 ( 25.905 0.000 -16.241) 30.575 2.786 ( -3.329 -0.000 7.877) 8.552 2.999 ( -1.360 -0.000 0.845) 1.601 3.078 ( 1.915 0.000 -1.352) 2.344 3.394 ( 7.395 0.000 15.945) 17.576 3.440 ( -0.458 -0.000 9.966) 9.977 3.553 ( 5.469 0.000 3.867) 6.698 3.579 ( -0.431 -0.000 -2.798) 2.831 3.816 ( -8.450 -0.000 -0.214) 8.453 3.823 ( -1.364 -0.000 -1.477) 2.010 4.157 ( 2.195 0.000 0.960) 2.396 4.404 ( -6.198 -0.000 2.971) 6.873 4.727 ( 5.617 0.000 12.950) 14.116 4.851 ( -1.660 -0.000 1.894) 2.519 4.886 ( 2.964 0.000 -2.349) 3.782 4.904 ( 6.286 0.000 0.844) 6.343 5.059 ( -3.208 -0.000 2.531) 4.086 5.297 ( -6.588 -0.000 -8.963) 11.124 5.386 ( -11.206 -0.000 -11.431) 16.007 5.521 ( -14.375 -0.000 -7.339) 16.140 5.646 ( 2.410 0.000 0.857) 2.557 5.776 ( 3.351 0.000 4.155) 5.338 6.146 ( -1.383 -0.000 1.596) 2.112 6.212 ( 6.577 0.000 -2.002) 6.875 6.448 ( -5.334 -0.000 -1.063) 5.439 6.565 ( -1.411 -0.000 -2.284) 2.685 7.930 ( 0.241 0.000 2.348) 2.360 8.038 ( -8.424 -0.000 -3.277) 9.039 8.324 ( 4.976 0.000 1.751) 5.275 8.505 ( 3.722 0.000 3.256) 4.945 8.937 ( 1.886 0.000 3.255) 3.762 8.969 ( -6.266 -0.000 -0.616) 6.296 9.168 ( 4.203 0.000 -9.109) 10.032 9.211 ( 3.705 0.000 -1.455) 3.981 9.384 ( -6.001 -0.000 -2.021) 6.332 9.424 ( -4.211 -0.000 -1.155) 4.367 9.789 ( 5.617 0.000 -6.801) 8.821 9.838 ( -0.442 -0.000 4.847) 4.867 10.333 ( -0.957 -0.000 1.242) 1.568 10.402 ( 6.282 0.000 -0.570) 6.308 10.634 ( -12.408 -0.000 0.461) 12.417 10.808 ( 1.974 0.000 -6.566) 6.857 11.078 ( 0.949 0.000 -1.979) 2.195 11.248 ( -9.903 -0.000 5.426) 11.292 11.397 ( -3.115 -0.000 -0.121) 3.117 11.462 ( 0.133 0.000 -8.104) 8.105 11.779 ( 1.747 0.000 -3.155) 3.606 11.929 ( 5.328 0.000 -10.300) 11.596 12.257 ( 9.594 0.000 4.688) 10.678 12.349 ( -1.351 -0.000 9.569) 9.664 12.468 ( 3.653 0.000 5.565) 6.657 12.725 ( -0.698 -0.000 5.854) 5.895 12.897 ( -2.762 -0.000 0.751) 2.862 12.923 ( -0.995 -0.000 -4.786) 4.888 13.351 ( -1.427 -0.000 0.307) 1.460 13.519 ( -6.618 -0.000 -4.463) 7.982 13.544 ( -0.500 -0.000 2.011) 2.072 13.599 ( -0.716 -0.000 -4.063) 4.125 14.505 ( 21.018 0.000 21.313) 29.933 14.525 ( 1.030 0.000 1.841) 2.109 14.560 ( -0.309 -0.000 1.045) 1.090 14.966 ( 0.537 0.000 -2.728) 2.780 15.002 ( -5.260 -0.000 2.649) 5.889 15.155 ( 0.771 0.000 -3.918) 3.993 15.873 ( 10.064 0.000 2.766) 10.437 16.313 ( -5.374 -0.000 -8.325) 9.908 16.551 ( -3.925 -0.000 0.410) 3.947 16.582 ( -1.929 -0.000 -1.655) 2.542 16.946 ( 0.465 0.000 1.931) 1.986 16.991 ( 0.696 0.000 -0.288) 0.753 17.213 ( 2.563 0.000 2.655) 3.690 17.459 ( -2.981 -0.000 -6.572) 7.217 19.897 ( 7.499 0.000 3.261) 8.177 20.156 ( -2.336 -0.000 -1.550) 2.803 20.997 ( 2.783 0.000 -1.038) 2.971 21.044 ( -1.814 -0.000 1.867) 2.603 22.055 ( -4.542 -0.000 6.133) 7.632 22.150 ( 0.528 0.000 -8.175) 8.192 23.345 ( 1.815 0.000 -5.036) 5.353 23.351 ( -3.770 -0.000 2.884) 4.746 26.966 ( 0.306 0.000 0.093) 0.320 26.966 ( 0.081 0.000 0.278) 0.290 29.446 ( 0.909 0.000 0.129) 0.918 29.515 ( -0.461 -0.000 -4.309) 4.334 30.547 ( 17.468 0.000 27.735) 32.777 30.744 ( 0.002 0.000 1.898) 1.898 30.801 ( -2.158 -0.000 4.386) 4.888 31.239 ( 7.117 0.000 -2.810) 7.652 31.482 ( -2.916 -0.000 1.705) 3.378 31.781 ( -3.790 -0.000 -20.512) 20.859 32.083 ( 7.443 0.000 -7.457) 10.535 32.143 ( 0.118 0.000 -0.862) 0.870 32.614 ( 2.069 0.000 0.969) 2.285 32.788 ( 4.591 0.000 -14.373) 15.088 33.647 ( 2.906 0.000 -4.021) 4.961 33.699 ( -7.233 -0.000 5.791) 9.266 35.407 ( -1.249 -0.000 3.425) 3.645 35.431 ( 1.976 0.000 -3.220) 3.778 35.717 ( 3.741 0.000 -4.923) 6.183 35.790 ( -6.481 -0.000 4.110) 7.674 36.309 ( 5.612 0.000 2.523) 6.153 36.500 ( -2.441 -0.000 1.495) 2.862 37.763 ( -5.262 -0.000 29.170) 29.641 38.608 ( -11.442 -0.000 -21.662) 24.498 ======================= Grid point 232 (112/114) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 18.128 -16.081 -1.808) 24.300 1.839 ( 2.060 -18.530 -8.210) 20.372 1.891 ( -1.762 -18.793 -9.972) 21.347 2.032 ( -16.414 -8.265 -0.283) 18.380 2.557 ( 20.403 4.401 -8.748) 22.631 2.727 ( -9.985 5.244 6.500) 13.017 2.936 ( 1.445 5.678 2.907) 6.540 2.995 ( 0.510 5.569 -3.448) 6.570 3.397 ( 1.461 5.602 3.834) 6.943 3.461 ( -3.035 4.564 -3.040) 6.267 3.541 ( 8.105 4.093 9.619) 13.228 3.692 ( -2.908 3.544 -1.180) 4.734 3.704 ( 2.316 -2.193 2.849) 4.277 3.862 ( -6.888 -6.473 -4.873) 10.635 4.192 ( 5.641 0.722 3.433) 6.643 4.355 ( -10.346 -0.648 -1.023) 10.417 4.853 ( 1.292 0.842 3.758) 4.063 4.876 ( 2.744 0.191 6.152) 6.739 4.934 ( 5.419 -2.333 2.155) 6.281 5.008 ( 8.906 -1.750 5.320) 10.521 5.074 ( 0.386 -1.235 4.172) 4.368 5.185 ( -9.420 0.195 -9.944) 13.699 5.282 ( -4.303 -5.395 -5.102) 8.582 5.427 ( -12.634 -8.535 -10.927) 18.757 5.686 ( 3.403 0.599 4.140) 5.392 5.776 ( -0.656 1.723 -2.257) 2.914 6.158 ( 1.202 -0.393 3.278) 3.514 6.234 ( 0.896 -0.988 -3.941) 4.160 6.387 ( 0.702 5.175 4.571) 6.940 6.491 ( -2.811 4.420 -3.503) 6.302 7.915 ( -0.861 1.827 -0.597) 2.106 7.946 ( -4.700 1.434 -0.268) 4.921 8.343 ( 8.597 4.175 3.988) 10.356 8.505 ( -4.032 1.225 -2.478) 4.889 8.945 ( 0.868 -1.814 4.918) 5.313 9.023 ( -1.829 -5.715 -4.360) 7.417 9.175 ( 5.320 0.154 -3.838) 6.561 9.228 ( 1.554 0.590 2.351) 2.879 9.338 ( -3.991 -0.609 -2.458) 4.726 9.384 ( -4.224 -0.453 -1.845) 4.632 9.817 ( 6.867 -1.248 -2.445) 7.396 9.869 ( -2.268 -1.400 3.556) 4.444 10.279 ( -3.069 5.380 0.826) 6.249 10.301 ( -1.667 7.463 -5.593) 9.474 10.615 ( 0.469 1.815 7.189) 7.430 10.722 ( -0.560 5.110 -6.902) 8.606 11.169 ( 3.946 -7.759 -2.027) 8.938 11.231 ( -7.462 -3.165 5.521) 9.807 11.377 ( -1.995 -0.324 1.272) 2.388 11.416 ( 0.541 0.492 -7.711) 7.745 11.756 ( 2.902 4.446 -0.329) 5.319 11.819 ( 0.244 7.635 -5.496) 9.411 12.313 ( 7.650 3.352 0.314) 8.358 12.358 ( -2.892 2.853 7.088) 8.170 12.511 ( 5.149 2.417 5.922) 8.211 12.662 ( -4.815 5.585 -3.644) 8.225 12.824 ( 1.474 4.628 1.058) 4.971 12.866 ( -2.318 1.345 -1.178) 2.927 13.394 ( 2.600 -4.709 2.266) 5.837 13.509 ( -7.636 -5.807 -2.675) 9.959 13.562 ( -0.347 -0.456 -1.134) 1.270 13.574 ( 0.377 0.910 -1.779) 2.034 14.484 ( 8.137 2.418 4.795) 9.749 14.568 ( -1.255 -1.550 -0.437) 2.042 14.958 ( 7.983 -7.233 4.307) 11.601 15.046 ( -4.208 -6.328 1.016) 7.667 15.081 ( -0.908 -17.461 8.655) 19.509 15.216 ( -1.889 -10.015 -4.922) 11.318 15.997 ( 8.296 -2.365 3.449) 9.291 16.175 ( -6.317 3.042 -7.470) 10.245 16.505 ( -1.265 2.118 2.023) 3.190 16.540 ( -2.678 1.963 -1.595) 3.683 16.988 ( 3.443 -3.134 2.342) 5.212 17.048 ( -1.683 -4.888 -0.785) 5.229 17.304 ( 3.054 -4.660 3.396) 6.525 17.413 ( -3.498 -2.219 -5.993) 7.285 19.989 ( 6.372 -1.900 2.988) 7.290 20.102 ( -3.542 0.957 -2.365) 4.365 20.937 ( 2.567 7.874 -1.185) 8.367 20.960 ( -2.146 8.120 1.429) 8.519 22.139 ( -3.842 -8.187 6.903) 11.377 22.180 ( 1.986 -7.321 -8.231) 11.194 23.288 ( 0.068 4.957 -1.074) 5.073 23.296 ( -1.600 4.436 -0.214) 4.721 27.092 ( 2.454 -13.354 -0.115) 13.578 27.134 ( -3.789 -17.004 1.069) 17.453 29.322 ( 1.956 13.732 2.619) 14.115 29.387 ( -1.297 11.033 -4.509) 11.989 30.748 ( 3.988 -1.621 4.154) 5.982 30.796 ( -2.376 -2.687 1.493) 3.885 30.992 ( 10.264 -8.241 28.939) 31.792 31.297 ( 5.327 -3.548 -8.159) 10.369 31.512 ( -2.855 -4.493 0.657) 5.364 31.626 ( -6.100 -0.746 -17.972) 18.994 31.982 ( 3.002 10.534 1.171) 11.016 32.053 ( 0.309 7.156 -7.926) 10.683 32.758 ( 3.250 -10.487 2.347) 11.227 32.843 ( 0.310 -9.923 -7.941) 12.713 33.626 ( 3.226 2.651 -3.284) 5.312 33.653 ( -5.589 2.658 4.250) 7.508 35.427 ( -0.562 -1.105 2.282) 2.596 35.438 ( 1.083 -1.115 -2.062) 2.582 35.755 ( 4.940 -3.186 -4.673) 7.509 35.796 ( -6.398 -3.413 4.082) 8.321 36.378 ( 5.332 -1.173 2.287) 5.919 36.471 ( -3.984 0.189 -0.406) 4.009 37.849 ( 0.300 7.694 30.526) 31.483 38.259 ( -7.720 12.502 -27.767) 31.415 ======================= Grid point 233 (113/114) ======================= q-point: ( 0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -16.660 -13.900 -8.051) 23.143 1.997 ( 16.660 -13.900 8.051) 23.143 2.343 ( 8.941 -27.522 -13.894) 32.101 2.343 ( -8.941 -27.522 13.894) 32.101 2.554 ( -5.563 4.196 -1.150) 7.063 2.554 ( 5.563 4.196 1.150) 7.063 2.914 ( -4.976 -0.452 -6.087) 7.875 2.914 ( 4.976 -0.452 6.087) 7.875 3.314 ( -2.546 7.172 -5.090) 9.156 3.314 ( 2.546 7.172 5.090) 9.156 3.518 ( -7.103 6.631 -2.672) 10.078 3.518 ( 7.103 6.631 2.672) 10.078 3.846 ( -5.637 -1.942 -9.419) 11.147 3.846 ( 5.636 -1.942 9.419) 11.147 4.255 ( -10.560 1.405 -2.688) 10.986 4.255 ( 10.560 1.405 2.688) 10.986 4.807 ( -2.719 7.428 -6.434) 10.196 4.807 ( 2.719 7.428 6.434) 10.196 5.021 ( -4.357 -0.462 -2.258) 4.929 5.021 ( 4.357 -0.462 2.258) 4.929 5.119 ( 0.627 -0.560 -4.780) 4.853 5.119 ( -0.627 -0.560 4.780) 4.853 5.516 ( -6.629 -12.193 -8.892) 16.483 5.516 ( 6.629 -12.193 8.892) 16.483 5.712 ( -2.224 0.542 -4.403) 4.962 5.712 ( 2.224 0.542 4.403) 4.962 6.222 ( -3.124 -1.787 -4.970) 6.136 6.222 ( 3.124 -1.787 4.970) 6.136 6.339 ( -5.437 5.639 -5.007) 9.297 6.339 ( 5.437 5.639 5.007) 9.297 7.896 ( -4.300 0.983 -0.163) 4.414 7.896 ( 4.300 0.983 0.163) 4.414 8.380 ( -9.882 3.115 -6.650) 12.312 8.380 ( 9.882 3.115 6.650) 12.312 9.052 ( -3.271 -2.397 -9.340) 10.182 9.052 ( 3.271 -2.397 9.340) 10.182 9.183 ( -4.758 1.652 -0.271) 5.044 9.183 ( 4.758 1.652 0.271) 5.044 9.375 ( -2.669 -3.126 -1.217) 4.287 9.375 ( 2.669 -3.126 1.217) 4.287 9.883 ( 3.306 -0.464 -5.014) 6.023 9.883 ( -3.306 -0.464 5.014) 6.023 10.138 ( -0.135 6.624 -3.964) 7.720 10.138 ( 0.135 6.624 3.964) 7.720 10.594 ( 0.288 4.510 -5.007) 6.745 10.594 ( -0.288 4.510 5.007) 6.745 11.283 ( 2.695 -1.044 -9.702) 10.123 11.283 ( -2.695 -1.044 9.702) 10.123 11.428 ( 0.213 -6.679 -4.390) 7.995 11.428 ( -0.213 -6.679 4.390) 7.995 11.654 ( -0.369 7.577 -0.351) 7.594 11.654 ( 0.369 7.577 0.351) 7.594 12.300 ( -3.365 2.046 -0.515) 3.971 12.300 ( 3.365 2.046 0.515) 3.971 12.524 ( -2.212 2.342 -3.405) 4.687 12.524 ( 2.212 2.342 3.405) 4.687 12.781 ( -2.824 4.816 -4.710) 7.304 12.781 ( 2.824 4.816 4.710) 7.304 13.531 ( 0.894 1.940 -1.681) 2.718 13.531 ( -0.894 1.940 1.681) 2.718 13.570 ( -5.752 -7.418 -2.518) 9.719 13.570 ( 5.752 -7.418 2.518) 9.719 14.569 ( -6.756 -1.553 -2.799) 7.476 14.569 ( 6.756 -1.553 2.799) 7.476 15.097 ( -3.959 -4.501 -5.337) 8.026 15.097 ( 3.959 -4.501 5.337) 8.026 15.397 ( 2.359 -10.717 -5.308) 12.190 15.397 ( -2.359 -10.717 5.308) 12.190 16.089 ( -2.545 -1.617 -1.547) 3.389 16.089 ( 2.545 -1.617 1.547) 3.389 16.490 ( -0.018 0.782 -1.073) 1.328 16.490 ( 0.018 0.782 1.073) 1.328 17.100 ( -3.276 -4.010 -2.071) 5.577 17.100 ( 3.276 -4.010 2.071) 5.577 17.427 ( -2.072 -4.119 -2.947) 5.472 17.427 ( 2.072 -4.119 2.947) 5.472 20.080 ( -3.262 -2.805 -0.418) 4.322 20.080 ( 3.262 -2.805 0.418) 4.322 20.769 ( 2.249 11.389 -2.815) 11.946 20.769 ( -2.249 11.389 2.815) 11.946 22.334 ( 3.796 -11.806 -7.105) 14.293 22.334 ( -3.796 -11.806 7.105) 14.293 23.178 ( 3.298 7.108 -5.566) 9.612 23.178 ( -3.298 7.108 5.566) 9.612 27.452 ( -7.413 -21.791 0.517) 23.023 27.452 ( 7.413 -21.791 -0.517) 23.023 29.063 ( -2.815 19.448 -6.209) 20.608 29.063 ( 2.815 19.448 6.209) 20.608 30.850 ( -2.149 -5.750 -0.348) 6.148 30.850 ( 2.149 -5.750 0.348) 6.148 31.316 ( -1.955 -4.963 -19.196) 19.924 31.316 ( 1.955 -4.963 19.196) 19.924 31.557 ( -3.312 0.256 0.499) 3.359 31.557 ( 3.312 0.256 -0.499) 3.359 31.870 ( 0.131 5.055 -12.829) 13.790 31.870 ( -0.131 5.055 12.829) 13.790 32.996 ( -2.767 -10.697 -2.805) 11.400 32.996 ( 2.767 -10.697 2.805) 11.400 33.571 ( 2.874 4.394 -4.000) 6.601 33.571 ( -2.874 4.394 4.000) 6.601 35.460 ( 0.672 -1.718 -1.693) 2.504 35.460 ( -0.672 -1.718 1.693) 2.504 35.839 ( 5.021 -3.708 -5.356) 8.225 35.839 ( -5.021 -3.708 5.356) 8.225 36.449 ( -0.953 -1.794 -2.990) 3.614 36.449 ( 0.953 -1.794 2.990) 3.614 37.826 ( -1.075 13.171 -26.751) 29.837 37.826 ( 1.075 13.171 26.751) 29.837 ======================= Grid point 243 (114/114) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -20.653 -0.000 1.564) 20.712 1.507 ( 20.653 0.000 -1.564) 20.712 1.824 ( -19.658 -0.000 5.424) 20.392 1.824 ( 19.658 0.000 -5.424) 20.392 2.709 ( 17.699 0.000 -7.452) 19.204 2.709 ( -17.699 -0.000 7.452) 19.204 3.034 ( -2.222 -0.000 -3.602) 4.232 3.034 ( 2.222 0.000 3.602) 4.232 3.489 ( 2.633 0.000 -5.104) 5.743 3.489 ( -2.633 -0.000 5.104) 5.743 3.686 ( -1.903 -0.000 -3.055) 3.599 3.686 ( 1.903 0.000 3.055) 3.599 3.711 ( -3.986 -0.000 -6.460) 7.591 3.711 ( 3.986 0.000 6.460) 7.591 4.265 ( -7.564 -0.000 -3.518) 8.342 4.265 ( 7.564 0.000 3.518) 8.342 4.841 ( -0.739 -0.000 -0.422) 0.851 4.841 ( 0.739 0.000 0.422) 0.851 5.054 ( -4.106 -0.000 -3.896) 5.660 5.054 ( 4.106 0.000 3.896) 5.660 5.100 ( -9.154 -0.000 -8.523) 12.508 5.100 ( 9.154 0.000 8.523) 12.508 5.201 ( -7.046 -0.000 -4.707) 8.474 5.201 ( 7.046 0.000 4.707) 8.474 5.755 ( -3.917 -0.000 -4.870) 6.250 5.755 ( 3.917 0.000 4.870) 6.250 6.187 ( -1.899 -0.000 -4.794) 5.156 6.187 ( 1.899 0.000 4.794) 5.156 6.485 ( -3.414 -0.000 -5.191) 6.213 6.485 ( 3.414 0.000 5.191) 6.213 7.931 ( -0.329 -0.000 -2.205) 2.230 7.931 ( 0.329 0.000 2.205) 2.230 8.462 ( -7.132 -0.000 -3.102) 7.777 8.462 ( 7.132 0.000 3.102) 7.777 8.941 ( 0.178 0.000 -3.704) 3.708 8.941 ( -0.178 -0.000 3.704) 3.708 9.221 ( -7.049 -0.000 1.110) 7.136 9.221 ( 7.049 0.000 -1.110) 7.136 9.337 ( -3.980 -0.000 -2.462) 4.680 9.337 ( 3.980 0.000 2.462) 4.680 9.836 ( 6.678 0.000 -4.009) 7.789 9.836 ( -6.678 -0.000 4.009) 7.789 10.333 ( -0.478 -0.000 -3.307) 3.341 10.333 ( 0.478 0.000 3.307) 3.341 10.708 ( -3.500 -0.000 -8.741) 9.416 10.708 ( 3.500 0.000 8.741) 9.416 11.130 ( -8.770 -0.000 2.226) 9.048 11.130 ( 8.770 0.000 -2.226) 9.048 11.395 ( 1.322 0.000 -5.493) 5.650 11.395 ( -1.322 -0.000 5.493) 5.650 11.842 ( -2.718 -0.000 -5.288) 5.946 11.842 ( 2.718 0.000 5.288) 5.946 12.401 ( 4.990 0.000 -2.495) 5.579 12.401 ( -4.990 -0.000 2.495) 5.579 12.634 ( -7.328 -0.000 -7.033) 10.157 12.634 ( 7.328 0.000 7.033) 10.157 12.870 ( 1.039 0.000 -1.573) 1.886 12.870 ( -1.039 -0.000 1.573) 1.886 13.379 ( -3.817 -0.000 -2.346) 4.481 13.379 ( 3.817 0.000 2.346) 4.481 13.569 ( -0.531 -0.000 -1.965) 2.036 13.569 ( 0.531 0.000 1.965) 2.036 14.553 ( -0.949 -0.000 -0.321) 1.002 14.553 ( 0.949 0.000 0.321) 1.002 14.939 ( -3.517 -0.000 -3.301) 4.823 14.939 ( 3.517 0.000 3.301) 4.823 15.024 ( -4.513 -0.000 -12.872) 13.640 15.024 ( 4.513 0.000 12.872) 13.640 16.086 ( -8.616 -0.000 -9.728) 12.995 16.086 ( 8.616 0.000 9.728) 12.995 16.540 ( -0.722 -0.000 -1.539) 1.700 16.540 ( 0.722 0.000 1.539) 1.700 16.981 ( -0.849 -0.000 -1.472) 1.699 16.981 ( 0.849 0.000 1.472) 1.699 17.320 ( -4.493 -0.000 -6.248) 7.696 17.320 ( 4.493 0.000 6.248) 7.696 20.049 ( -6.315 -0.000 -4.155) 7.559 20.049 ( 6.315 0.000 4.155) 7.559 21.027 ( 2.541 0.000 -1.212) 2.816 21.027 ( -2.541 -0.000 1.212) 2.816 22.080 ( 2.622 0.000 -8.079) 8.494 22.080 ( -2.622 -0.000 8.079) 8.494 23.332 ( 3.163 0.000 -3.781) 4.930 23.332 ( -3.163 -0.000 3.781) 4.930 26.969 ( 0.071 0.000 -0.113) 0.134 26.969 ( -0.071 -0.000 0.113) 0.134 29.466 ( -0.899 -0.000 -1.895) 2.097 29.466 ( 0.899 0.000 1.895) 2.097 30.766 ( -1.194 -0.000 0.280) 1.226 30.766 ( 1.194 0.000 -0.280) 1.226 31.169 ( -3.668 -0.000 -31.057) 31.273 31.169 ( 3.668 0.000 31.057) 31.273 31.479 ( -2.612 -0.000 -6.936) 7.411 31.479 ( 2.612 0.000 6.936) 7.411 32.120 ( 3.193 0.000 -1.177) 3.403 32.120 ( -3.193 -0.000 1.177) 3.403 32.687 ( -0.292 -0.000 -8.229) 8.234 32.687 ( 0.293 0.000 8.229) 8.234 33.660 ( 5.033 0.000 -4.463) 6.727 33.660 ( -5.033 -0.000 4.463) 6.727 35.423 ( 1.758 0.000 -3.408) 3.835 35.423 ( -1.758 -0.000 3.408) 3.835 35.739 ( 5.618 0.000 -4.058) 6.930 35.739 ( -5.618 -0.000 4.058) 6.930 36.426 ( -5.797 -0.000 -1.823) 6.076 36.426 ( 5.797 0.000 1.823) 6.076 38.138 ( -7.348 -0.000 -31.621) 32.463 38.138 ( 7.348 0.000 31.621) 32.463 =================== 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 3/41472 10.0 781.668 431.009 602.857 -0.000 157.603 0.000 3/41472 20.0 93.145 75.622 76.617 -0.000 13.427 0.000 3/41472 30.0 34.865 30.483 29.269 -0.000 4.718 0.000 3/41472 40.0 19.383 17.521 16.582 -0.000 2.603 0.000 3/41472 50.0 12.962 11.916 11.280 -0.000 1.757 0.000 3/41472 60.0 9.619 8.914 8.484 -0.000 1.323 0.000 3/41472 70.0 7.614 7.081 6.783 -0.000 1.064 0.000 3/41472 80.0 6.292 5.859 5.644 -0.000 0.894 0.000 3/41472 90.0 5.361 4.992 4.831 -0.000 0.773 0.000 3/41472 100.0 4.672 4.348 4.223 -0.000 0.683 0.000 3/41472 110.0 4.143 3.855 3.752 -0.000 0.613 0.000 3/41472 120.0 3.726 3.466 3.377 -0.000 0.558 0.000 3/41472 130.0 3.388 3.152 3.072 -0.000 0.512 0.000 3/41472 140.0 3.109 2.896 2.820 -0.000 0.475 0.000 3/41472 150.0 2.876 2.682 2.608 -0.000 0.443 0.000 3/41472 160.0 2.678 2.502 2.427 -0.000 0.415 0.000 3/41472 170.0 2.507 2.349 2.271 -0.000 0.391 0.000 3/41472 180.0 2.360 2.218 2.136 -0.000 0.370 0.000 3/41472 190.0 2.230 2.104 2.018 -0.000 0.351 0.000 3/41472 200.0 2.116 2.005 1.914 -0.000 0.334 0.000 3/41472 210.0 2.015 1.918 1.822 -0.000 0.318 0.000 3/41472 220.0 1.924 1.841 1.739 -0.000 0.304 0.000 3/41472 230.0 1.843 1.772 1.665 -0.000 0.291 0.000 3/41472 240.0 1.770 1.711 1.599 -0.000 0.279 0.000 3/41472 250.0 1.703 1.656 1.539 -0.000 0.268 0.000 3/41472 260.0 1.643 1.606 1.485 -0.000 0.257 0.000 3/41472 270.0 1.588 1.560 1.435 -0.000 0.247 0.000 3/41472 280.0 1.537 1.519 1.390 -0.000 0.238 0.000 3/41472 290.0 1.491 1.481 1.348 -0.000 0.229 0.000 3/41472 300.0 1.447 1.445 1.310 -0.000 0.221 0.000 3/41472 310.0 1.408 1.412 1.274 -0.000 0.213 0.000 3/41472 320.0 1.370 1.382 1.241 -0.000 0.205 0.000 3/41472 330.0 1.336 1.353 1.211 -0.000 0.198 0.000 3/41472 340.0 1.303 1.326 1.182 -0.000 0.192 0.000 3/41472 350.0 1.273 1.301 1.155 -0.000 0.185 0.000 3/41472 360.0 1.244 1.277 1.130 -0.000 0.179 0.000 3/41472 370.0 1.217 1.254 1.107 -0.000 0.173 0.000 3/41472 380.0 1.192 1.232 1.084 -0.000 0.168 0.000 3/41472 390.0 1.168 1.211 1.063 -0.000 0.162 0.000 3/41472 400.0 1.145 1.192 1.043 -0.000 0.157 0.000 3/41472 410.0 1.123 1.172 1.024 -0.000 0.152 0.000 3/41472 420.0 1.102 1.154 1.006 -0.000 0.148 0.000 3/41472 430.0 1.082 1.136 0.988 -0.000 0.143 0.000 3/41472 440.0 1.063 1.119 0.972 -0.000 0.139 0.000 3/41472 450.0 1.044 1.103 0.956 -0.000 0.135 0.000 3/41472 460.0 1.027 1.087 0.941 -0.000 0.131 0.000 3/41472 470.0 1.010 1.071 0.926 -0.000 0.127 0.000 3/41472 480.0 0.994 1.056 0.912 -0.000 0.124 0.000 3/41472 490.0 0.978 1.042 0.898 -0.000 0.120 0.000 3/41472 500.0 0.963 1.027 0.885 -0.000 0.117 0.000 3/41472 510.0 0.948 1.014 0.872 -0.000 0.114 0.000 3/41472 520.0 0.934 1.000 0.859 -0.000 0.111 0.000 3/41472 530.0 0.920 0.987 0.847 -0.000 0.108 0.000 3/41472 540.0 0.907 0.974 0.836 -0.000 0.105 0.000 3/41472 550.0 0.894 0.962 0.825 -0.000 0.103 0.000 3/41472 560.0 0.881 0.950 0.814 -0.000 0.100 0.000 3/41472 570.0 0.869 0.938 0.803 -0.000 0.098 0.000 3/41472 580.0 0.857 0.926 0.792 -0.000 0.095 0.000 3/41472 590.0 0.846 0.915 0.782 -0.000 0.093 0.000 3/41472 600.0 0.835 0.904 0.772 -0.000 0.091 0.000 3/41472 610.0 0.824 0.893 0.763 -0.000 0.089 0.000 3/41472 620.0 0.813 0.882 0.753 -0.000 0.087 0.000 3/41472 630.0 0.803 0.872 0.744 -0.000 0.085 0.000 3/41472 640.0 0.793 0.862 0.735 -0.000 0.083 0.000 3/41472 650.0 0.783 0.852 0.727 -0.000 0.081 0.000 3/41472 660.0 0.773 0.842 0.718 -0.000 0.079 0.000 3/41472 670.0 0.764 0.832 0.710 -0.000 0.078 0.000 3/41472 680.0 0.755 0.823 0.702 -0.000 0.076 0.000 3/41472 690.0 0.746 0.814 0.694 -0.000 0.075 0.000 3/41472 700.0 0.737 0.805 0.686 -0.000 0.073 0.000 3/41472 710.0 0.729 0.796 0.678 -0.000 0.072 0.000 3/41472 720.0 0.720 0.787 0.671 -0.000 0.070 0.000 3/41472 730.0 0.712 0.779 0.663 -0.000 0.069 0.000 3/41472 740.0 0.704 0.771 0.656 -0.000 0.068 0.000 3/41472 750.0 0.696 0.762 0.649 -0.000 0.066 0.000 3/41472 760.0 0.689 0.755 0.642 -0.000 0.065 0.000 3/41472 770.0 0.681 0.747 0.636 -0.000 0.064 0.000 3/41472 780.0 0.674 0.739 0.629 -0.000 0.063 0.000 3/41472 790.0 0.667 0.731 0.623 -0.000 0.062 0.000 3/41472 800.0 0.660 0.724 0.616 -0.000 0.061 0.000 3/41472 810.0 0.653 0.717 0.610 -0.000 0.060 0.000 3/41472 820.0 0.646 0.710 0.604 -0.000 0.059 0.000 3/41472 830.0 0.639 0.703 0.598 -0.000 0.058 0.000 3/41472 840.0 0.633 0.696 0.592 -0.000 0.057 0.000 3/41472 850.0 0.627 0.689 0.586 -0.000 0.056 0.000 3/41472 860.0 0.620 0.682 0.580 -0.000 0.055 0.000 3/41472 870.0 0.614 0.676 0.575 -0.000 0.054 0.000 3/41472 880.0 0.608 0.669 0.569 -0.000 0.053 0.000 3/41472 890.0 0.602 0.663 0.564 -0.000 0.052 0.000 3/41472 900.0 0.596 0.657 0.559 -0.000 0.052 0.000 3/41472 910.0 0.591 0.651 0.554 -0.000 0.051 0.000 3/41472 920.0 0.585 0.645 0.548 -0.000 0.050 0.000 3/41472 930.0 0.580 0.639 0.543 -0.000 0.049 0.000 3/41472 940.0 0.574 0.633 0.539 -0.000 0.049 0.000 3/41472 950.0 0.569 0.627 0.534 -0.000 0.048 0.000 3/41472 960.0 0.564 0.622 0.529 -0.000 0.047 0.000 3/41472 970.0 0.559 0.616 0.524 -0.000 0.047 0.000 3/41472 980.0 0.554 0.611 0.520 -0.000 0.046 0.000 3/41472 990.0 0.549 0.606 0.515 -0.000 0.045 0.000 3/41472 1000.0 0.544 0.600 0.511 -0.000 0.045 0.000 3/41472 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:28:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|