----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:09:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.159414219513149 0.000000000000000 0.000000000000000 b 0.000000000000000 5.410431100000001 0.000000000000000 c -9.452856257522965 0.000000000000000 13.904384128438798 Atomic positions (fractional): *1 Nd 0.50509882423373 0.23595829433776 0.58520308234084 144.242 *2 Nd 0.15811418353743 0.25549801258400 0.96683437580767 144.242 3 Nd 0.50509882423373 0.76404170566224 0.08520308234084 144.242 *4 Nd 0.50000000000000 0.29256469947228 0.25000000000000 144.242 5 Nd 0.84188581646257 0.25549801258400 0.53316562419233 144.242 6 Nd 0.84188581646257 0.74450198741600 0.03316562419233 144.242 7 Nd 0.49490117576627 0.76404170566224 0.41479691765916 144.242 8 Nd 0.50000000000000 0.70743530052772 0.75000000000000 144.242 9 Nd 0.49490117576627 0.23595829433776 0.91479691765916 144.242 10 Nd 0.15811418353743 0.74450198741600 0.46683437580767 144.242 *11 As 0.77422702789532 0.73992463637314 0.36331403299936 74.922 12 As 0.77422702789532 0.26007536362686 0.86331403299936 74.922 *13 As 0.23760925124227 0.23751533143754 0.34865105894590 74.922 14 As 0.22577297210468 0.26007536362686 0.63668596700064 74.922 15 As 0.23760925124227 0.76248466856246 0.84865105894590 74.922 16 As 0.76239074875773 0.76248466856246 0.65134894105410 74.922 17 As 0.76239074875773 0.23751533143754 0.15134894105410 74.922 18 As 0.22577297210468 0.73992463637314 0.13668596700064 74.922 *19 Cl 0.00624357371934 0.24701780431361 0.08226576478496 35.453 20 Cl 0.99375642628066 0.24701780431361 0.41773423521504 35.453 *21 Cl 0.00000000000000 0.25119994523487 0.75000000000000 35.453 22 Cl 0.00000000000000 0.74880005476513 0.25000000000000 35.453 23 Cl 0.00624357371934 0.75298219568639 0.58226576478496 35.453 24 Cl 0.99375642628066 0.75298219568639 0.91773423521504 35.453 *25 O 0.67539946571528 0.51101202397957 0.56418473363911 15.999 *26 O 0.68640326877980 0.00004106038501 0.05547962240849 15.999 27 O 0.68640326877980 0.99995893961499 0.55547962240849 15.999 28 O 0.67539946571528 0.48898797602043 0.06418473363911 15.999 *29 O 0.35963380347616 0.34507638504549 0.75672605500172 15.999 *30 O 0.40403342411778 0.82455283147669 0.84369796482143 15.999 *31 O 0.31813336327105 0.99540631621829 0.11961987009358 15.999 32 O 0.31813336327105 0.00459368378171 0.61961987009358 15.999 33 O 0.31359673122020 0.99995893961499 0.94452037759151 15.999 34 O 0.40403342411778 0.17544716852331 0.34369796482143 15.999 35 O 0.64036619652384 0.65492361495451 0.24327394499828 15.999 36 O 0.68186663672895 0.00459368378171 0.88038012990642 15.999 37 O 0.68186663672895 0.99540631621829 0.38038012990642 15.999 38 O 0.31359673122020 0.00004106038501 0.44452037759151 15.999 *39 O 0.30928413659574 0.48504474435161 0.59655314884509 15.999 40 O 0.32460053428472 0.51101202397957 0.93581526636089 15.999 41 O 0.69071586340426 0.51495525564839 0.40344685115491 15.999 42 O 0.64036619652384 0.34507638504549 0.74327394499828 15.999 43 O 0.32460053428472 0.48898797602043 0.43581526636089 15.999 44 O 0.59596657588222 0.82455283147669 0.65630203517857 15.999 45 O 0.35963380347616 0.65492361495451 0.25672605500172 15.999 46 O 0.59596657588222 0.17544716852331 0.15630203517857 15.999 47 O 0.69071586340426 0.48504474435161 0.90344685115491 15.999 48 O 0.30928413659574 0.51495525564839 0.09655314884509 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.159414219513149 0.000000000000000 0.000000000000000 b 0.000000000000000 5.410431100000001 0.000000000000000 c -9.452856257522965 0.000000000000000 13.904384128438798 Atomic positions (fractional): *1 Nd 0.50509882423373 0.23595829433776 0.58520308234084 144.242 > 1 *2 Nd 0.15811418353743 0.25549801258400 0.96683437580767 144.242 > 2 3 Nd 0.50509882423373 0.76404170566224 0.08520308234084 144.242 > 3 *4 Nd 0.50000000000000 0.29256469947228 0.25000000000000 144.242 > 4 5 Nd 0.84188581646257 0.25549801258400 0.53316562419233 144.242 > 5 6 Nd 0.84188581646257 0.74450198741600 0.03316562419233 144.242 > 6 7 Nd 0.49490117576627 0.76404170566224 0.41479691765916 144.242 > 7 8 Nd 0.50000000000000 0.70743530052772 0.75000000000000 144.242 > 8 9 Nd 0.49490117576627 0.23595829433776 0.91479691765916 144.242 > 9 10 Nd 0.15811418353743 0.74450198741600 0.46683437580767 144.242 > 10 *11 As 0.77422702789532 0.73992463637314 0.36331403299936 74.922 > 11 12 As 0.77422702789532 0.26007536362686 0.86331403299936 74.922 > 12 *13 As 0.23760925124227 0.23751533143754 0.34865105894590 74.922 > 13 14 As 0.22577297210468 0.26007536362686 0.63668596700064 74.922 > 14 15 As 0.23760925124227 0.76248466856246 0.84865105894590 74.922 > 15 16 As 0.76239074875773 0.76248466856246 0.65134894105410 74.922 > 16 17 As 0.76239074875773 0.23751533143754 0.15134894105410 74.922 > 17 18 As 0.22577297210468 0.73992463637314 0.13668596700064 74.922 > 18 *19 Cl 0.00624357371934 0.24701780431361 0.08226576478496 35.453 > 19 20 Cl 0.99375642628066 0.24701780431361 0.41773423521504 35.453 > 20 *21 Cl 0.00000000000000 0.25119994523487 0.75000000000000 35.453 > 21 22 Cl 0.00000000000000 0.74880005476513 0.25000000000000 35.453 > 22 23 Cl 0.00624357371934 0.75298219568639 0.58226576478496 35.453 > 23 24 Cl 0.99375642628066 0.75298219568639 0.91773423521504 35.453 > 24 *25 O 0.67539946571528 0.51101202397957 0.56418473363911 15.999 > 25 *26 O 0.68640326877980 0.00004106038501 0.05547962240849 15.999 > 26 27 O 0.68640326877980 0.99995893961499 0.55547962240849 15.999 > 27 28 O 0.67539946571528 0.48898797602043 0.06418473363911 15.999 > 28 *29 O 0.35963380347616 0.34507638504549 0.75672605500172 15.999 > 29 *30 O 0.40403342411778 0.82455283147669 0.84369796482143 15.999 > 30 *31 O 0.31813336327105 0.99540631621829 0.11961987009358 15.999 > 31 32 O 0.31813336327105 0.00459368378171 0.61961987009358 15.999 > 32 33 O 0.31359673122020 0.99995893961499 0.94452037759151 15.999 > 33 34 O 0.40403342411778 0.17544716852331 0.34369796482143 15.999 > 34 35 O 0.64036619652384 0.65492361495451 0.24327394499828 15.999 > 35 36 O 0.68186663672895 0.00459368378171 0.88038012990642 15.999 > 36 37 O 0.68186663672895 0.99540631621829 0.38038012990642 15.999 > 37 38 O 0.31359673122020 0.00004106038501 0.44452037759151 15.999 > 38 *39 O 0.30928413659574 0.48504474435161 0.59655314884509 15.999 > 39 40 O 0.32460053428472 0.51101202397957 0.93581526636089 15.999 > 40 41 O 0.69071586340426 0.51495525564839 0.40344685115491 15.999 > 41 42 O 0.64036619652384 0.34507638504549 0.74327394499828 15.999 > 42 43 O 0.32460053428472 0.48898797602043 0.43581526636089 15.999 > 43 44 O 0.59596657588222 0.82455283147669 0.65630203517857 15.999 > 44 45 O 0.35963380347616 0.65492361495451 0.25672605500172 15.999 > 45 46 O 0.59596657588222 0.17544716852331 0.15630203517857 15.999 > 46 47 O 0.69071586340426 0.48504474435161 0.90344685115491 15.999 > 47 48 O 0.30928413659574 0.51495525564839 0.09655314884509 15.999 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.159414219513149 0.000000000000000 0.000000000000000 b 0.000000000000000 10.820862200000002 0.000000000000000 c -9.452856257522965 0.000000000000000 13.904384128438798 Atomic positions (fractional): *1 Nd 0.50509882423373 0.11797914716888 0.58520308234084 144.242 > 1 2 Nd 0.50509882423373 0.61797914716888 0.58520308234084 144.242 > 1 *3 Nd 0.15811418353743 0.12774900629200 0.96683437580767 144.242 > 2 4 Nd 0.15811418353743 0.62774900629200 0.96683437580767 144.242 > 2 5 Nd 0.50509882423373 0.38202085283112 0.08520308234084 144.242 > 3 6 Nd 0.50509882423373 0.88202085283112 0.08520308234084 144.242 > 3 *7 Nd 0.50000000000000 0.14628234973614 0.25000000000000 144.242 > 4 8 Nd 0.50000000000000 0.64628234973614 0.25000000000000 144.242 > 4 9 Nd 0.84188581646257 0.12774900629200 0.53316562419233 144.242 > 5 10 Nd 0.84188581646257 0.62774900629200 0.53316562419233 144.242 > 5 11 Nd 0.84188581646257 0.37225099370800 0.03316562419233 144.242 > 6 12 Nd 0.84188581646257 0.87225099370800 0.03316562419233 144.242 > 6 13 Nd 0.49490117576627 0.38202085283112 0.41479691765916 144.242 > 7 14 Nd 0.49490117576627 0.88202085283112 0.41479691765916 144.242 > 7 15 Nd 0.50000000000000 0.35371765026386 0.75000000000000 144.242 > 8 16 Nd 0.50000000000000 0.85371765026386 0.75000000000000 144.242 > 8 17 Nd 0.49490117576627 0.11797914716888 0.91479691765916 144.242 > 9 18 Nd 0.49490117576627 0.61797914716888 0.91479691765916 144.242 > 9 19 Nd 0.15811418353743 0.37225099370800 0.46683437580767 144.242 > 10 20 Nd 0.15811418353743 0.87225099370800 0.46683437580767 144.242 > 10 *21 As 0.77422702789532 0.36996231818657 0.36331403299936 74.922 > 11 22 As 0.77422702789532 0.86996231818657 0.36331403299936 74.922 > 11 23 As 0.77422702789532 0.13003768181343 0.86331403299936 74.922 > 12 24 As 0.77422702789532 0.63003768181343 0.86331403299936 74.922 > 12 *25 As 0.23760925124227 0.11875766571877 0.34865105894590 74.922 > 13 26 As 0.23760925124227 0.61875766571877 0.34865105894590 74.922 > 13 27 As 0.22577297210468 0.13003768181343 0.63668596700064 74.922 > 14 28 As 0.22577297210468 0.63003768181343 0.63668596700064 74.922 > 14 29 As 0.23760925124227 0.38124233428123 0.84865105894590 74.922 > 15 30 As 0.23760925124227 0.88124233428123 0.84865105894590 74.922 > 15 31 As 0.76239074875773 0.38124233428123 0.65134894105410 74.922 > 16 32 As 0.76239074875773 0.88124233428123 0.65134894105410 74.922 > 16 33 As 0.76239074875773 0.11875766571877 0.15134894105410 74.922 > 17 34 As 0.76239074875773 0.61875766571877 0.15134894105410 74.922 > 17 35 As 0.22577297210468 0.36996231818657 0.13668596700064 74.922 > 18 36 As 0.22577297210468 0.86996231818657 0.13668596700064 74.922 > 18 *37 Cl 0.00624357371934 0.12350890215681 0.08226576478496 35.453 > 19 38 Cl 0.00624357371934 0.62350890215680 0.08226576478496 35.453 > 19 39 Cl 0.99375642628066 0.12350890215681 0.41773423521504 35.453 > 20 40 Cl 0.99375642628066 0.62350890215680 0.41773423521504 35.453 > 20 *41 Cl 0.00000000000000 0.12559997261744 0.75000000000000 35.453 > 21 42 Cl 0.00000000000000 0.62559997261744 0.75000000000000 35.453 > 21 43 Cl 0.00000000000000 0.37440002738256 0.25000000000000 35.453 > 22 44 Cl 0.00000000000000 0.87440002738256 0.25000000000000 35.453 > 22 45 Cl 0.00624357371934 0.37649109784320 0.58226576478496 35.453 > 23 46 Cl 0.00624357371934 0.87649109784320 0.58226576478496 35.453 > 23 47 Cl 0.99375642628066 0.37649109784320 0.91773423521504 35.453 > 24 48 Cl 0.99375642628066 0.87649109784320 0.91773423521504 35.453 > 24 *49 O 0.67539946571528 0.25550601198979 0.56418473363911 15.999 > 25 50 O 0.67539946571528 0.75550601198979 0.56418473363911 15.999 > 25 *51 O 0.68640326877980 0.00002053019250 0.05547962240849 15.999 > 26 52 O 0.68640326877980 0.50002053019250 0.05547962240849 15.999 > 26 53 O 0.68640326877980 0.49997946980750 0.55547962240849 15.999 > 27 54 O 0.68640326877980 0.99997946980750 0.55547962240849 15.999 > 27 55 O 0.67539946571528 0.24449398801021 0.06418473363911 15.999 > 28 56 O 0.67539946571528 0.74449398801021 0.06418473363911 15.999 > 28 *57 O 0.35963380347616 0.17253819252274 0.75672605500172 15.999 > 29 58 O 0.35963380347616 0.67253819252274 0.75672605500172 15.999 > 29 *59 O 0.40403342411778 0.41227641573834 0.84369796482143 15.999 > 30 60 O 0.40403342411778 0.91227641573834 0.84369796482143 15.999 > 30 *61 O 0.31813336327105 0.49770315810915 0.11961987009358 15.999 > 31 62 O 0.31813336327105 0.99770315810915 0.11961987009358 15.999 > 31 63 O 0.31813336327105 0.00229684189085 0.61961987009358 15.999 > 32 64 O 0.31813336327105 0.50229684189085 0.61961987009358 15.999 > 32 65 O 0.31359673122020 0.49997946980750 0.94452037759151 15.999 > 33 66 O 0.31359673122020 0.99997946980750 0.94452037759151 15.999 > 33 67 O 0.40403342411778 0.08772358426166 0.34369796482143 15.999 > 34 68 O 0.40403342411778 0.58772358426166 0.34369796482143 15.999 > 34 69 O 0.64036619652384 0.32746180747726 0.24327394499828 15.999 > 35 70 O 0.64036619652384 0.82746180747726 0.24327394499828 15.999 > 35 71 O 0.68186663672895 0.00229684189085 0.88038012990642 15.999 > 36 72 O 0.68186663672895 0.50229684189085 0.88038012990642 15.999 > 36 73 O 0.68186663672895 0.49770315810915 0.38038012990642 15.999 > 37 74 O 0.68186663672895 0.99770315810915 0.38038012990642 15.999 > 37 75 O 0.31359673122020 0.00002053019250 0.44452037759151 15.999 > 38 76 O 0.31359673122020 0.50002053019250 0.44452037759151 15.999 > 38 *77 O 0.30928413659574 0.24252237217580 0.59655314884509 15.999 > 39 78 O 0.30928413659574 0.74252237217580 0.59655314884509 15.999 > 39 79 O 0.32460053428472 0.25550601198979 0.93581526636089 15.999 > 40 80 O 0.32460053428472 0.75550601198979 0.93581526636089 15.999 > 40 81 O 0.69071586340426 0.25747762782420 0.40344685115491 15.999 > 41 82 O 0.69071586340426 0.75747762782420 0.40344685115491 15.999 > 41 83 O 0.64036619652384 0.17253819252274 0.74327394499828 15.999 > 42 84 O 0.64036619652384 0.67253819252274 0.74327394499828 15.999 > 42 85 O 0.32460053428472 0.24449398801021 0.43581526636089 15.999 > 43 86 O 0.32460053428472 0.74449398801021 0.43581526636089 15.999 > 43 87 O 0.59596657588222 0.41227641573834 0.65630203517857 15.999 > 44 88 O 0.59596657588222 0.91227641573834 0.65630203517857 15.999 > 44 89 O 0.35963380347616 0.32746180747726 0.25672605500172 15.999 > 45 90 O 0.35963380347616 0.82746180747726 0.25672605500172 15.999 > 45 91 O 0.59596657588222 0.08772358426166 0.15630203517857 15.999 > 46 92 O 0.59596657588222 0.58772358426166 0.15630203517857 15.999 > 46 93 O 0.69071586340426 0.24252237217580 0.90344685115491 15.999 > 47 94 O 0.69071586340426 0.74252237217580 0.90344685115491 15.999 > 47 95 O 0.30928413659574 0.25747762782420 0.09655314884509 15.999 > 48 96 O 0.30928413659574 0.75747762782420 0.09655314884509 15.999 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3464652 0.0000000 -0.0765955 0.0000000 4.4410545 0.0000000 -0.0773395 0.0000000 4.3550125 -------------------------- Born effective charges -------------------------- 1 Nd 4.2543396 -0.1922956 0.0368683 -0.0240290 3.8969277 0.0146304 0.0792152 0.2413125 4.6495898 2 Nd 4.2284724 -0.2329903 -0.3509266 -0.1471820 4.5905758 0.2197138 -0.3244705 0.3303963 3.9079689 3 Nd 4.2543396 0.1922956 0.0368683 0.0240290 3.8969277 -0.0146304 0.0792152 -0.2413125 4.6495898 4 Nd 4.3565302 -0.0000000 -0.2577623 0.0000000 4.3928988 0.0000000 -0.2269952 0.0000000 4.4241177 5 Nd 4.2284724 0.2329903 -0.3509266 0.1471820 4.5905758 -0.2197138 -0.3244705 -0.3303963 3.9079689 6 Nd 4.2284724 -0.2329903 -0.3509266 -0.1471820 4.5905758 0.2197138 -0.3244705 0.3303963 3.9079689 7 Nd 4.2543396 -0.1922956 0.0368683 -0.0240290 3.8969277 0.0146304 0.0792152 0.2413125 4.6495898 8 Nd 4.3565302 -0.0000000 -0.2577623 0.0000000 4.3928988 0.0000000 -0.2269952 0.0000000 4.4241177 9 Nd 4.2543396 0.1922956 0.0368683 0.0240290 3.8969277 -0.0146304 0.0792152 -0.2413125 4.6495898 10 Nd 4.2284724 0.2329903 -0.3509266 0.1471820 4.5905758 -0.2197138 -0.3244705 -0.3303963 3.9079689 11 As 2.1036532 -0.0556209 -0.1599688 -0.0473150 2.8523029 0.3579882 -0.1786753 0.4022354 3.1922152 12 As 2.1036532 0.0556209 -0.1599688 0.0473150 2.8523029 -0.3579882 -0.1786753 -0.4022354 3.1922152 13 As 2.8073364 -0.1398878 -0.3034036 -0.1530762 3.0135234 0.1327788 -0.2397239 0.0654061 2.4952096 14 As 2.1036532 -0.0556209 -0.1599688 -0.0473150 2.8523029 0.3579882 -0.1786753 0.4022354 3.1922152 15 As 2.8073364 0.1398878 -0.3034036 0.1530762 3.0135234 -0.1327788 -0.2397239 -0.0654061 2.4952096 16 As 2.8073364 -0.1398878 -0.3034036 -0.1530762 3.0135234 0.1327788 -0.2397239 0.0654061 2.4952096 17 As 2.8073364 0.1398878 -0.3034036 0.1530762 3.0135234 -0.1327788 -0.2397239 -0.0654061 2.4952096 18 As 2.1036532 0.0556209 -0.1599688 0.0473150 2.8523029 -0.3579882 -0.1786753 -0.4022354 3.1922152 19 Cl -1.4414277 -0.0256975 0.1133730 -0.0305598 -1.8667227 0.0004888 0.1121124 -0.0324410 -1.2527767 20 Cl -1.4414277 0.0256975 0.1133730 0.0305598 -1.8667227 -0.0004888 0.1121124 0.0324410 -1.2527767 21 Cl -1.1934798 -0.0000000 0.1723735 0.0000000 -1.3395389 0.0000000 0.1297366 0.0000000 -2.3286448 22 Cl -1.1934798 -0.0000000 0.1723735 0.0000000 -1.3395389 0.0000000 0.1297366 0.0000000 -2.3286448 23 Cl -1.4414277 0.0256975 0.1133730 0.0305598 -1.8667227 -0.0004888 0.1121124 0.0324410 -1.2527767 24 Cl -1.4414277 -0.0256975 0.1133730 -0.0305598 -1.8667227 0.0004888 0.1121124 -0.0324410 -1.2527767 25 O -1.9795398 0.1782158 0.1864232 -0.0600526 -2.7933972 -0.8672296 -0.0262455 -0.3565268 -2.1611561 26 O -2.2512042 0.6061754 0.3779001 0.3619442 -2.6458648 -0.6849334 0.0625647 -0.3137588 -2.3675639 27 O -2.2512042 -0.6061754 0.3779001 -0.3619442 -2.6458648 0.6849334 0.0625647 0.3137588 -2.3675639 28 O -1.9795398 -0.1782158 0.1864232 0.0600526 -2.7933972 0.8672296 -0.0262455 0.3565268 -2.1611561 29 O -1.4677476 -0.3159957 -0.0548775 -0.3582596 -1.6077545 -0.2078630 -0.4216332 -0.2552101 -3.8525721 30 O -3.3515703 -0.2460981 0.2980353 -0.2639130 -1.7902120 -0.3477063 0.7967835 -0.2738126 -1.5069561 31 O -2.2284412 -0.5111048 -0.0876012 -0.8007317 -2.6830416 0.1119623 0.0373730 0.2391550 -1.8332802 32 O -2.2284412 0.5111048 -0.0876012 0.8007317 -2.6830416 -0.1119623 0.0373730 -0.2391550 -1.8332802 33 O -2.2512042 0.6061754 0.3779001 0.3619442 -2.6458648 -0.6849334 0.0625647 -0.3137588 -2.3675639 34 O -3.3515703 0.2460981 0.2980353 0.2639130 -1.7902120 0.3477063 0.7967835 0.2738126 -1.5069561 35 O -1.4677476 -0.3159957 -0.0548775 -0.3582596 -1.6077545 -0.2078630 -0.4216332 -0.2552101 -3.8525721 36 O -2.2284412 -0.5111048 -0.0876012 -0.8007317 -2.6830416 0.1119623 0.0373730 0.2391550 -1.8332802 37 O -2.2284412 0.5111048 -0.0876012 0.8007317 -2.6830416 -0.1119623 0.0373730 -0.2391550 -1.8332802 38 O -2.2512042 -0.6061754 0.3779001 -0.3619442 -2.6458648 0.6849334 0.0625647 0.3137588 -2.3675639 39 O -2.2553958 -0.2910094 -0.0131279 -0.4759827 -2.4930170 0.4480035 0.1513289 0.6367459 -2.3184148 40 O -1.9795398 -0.1782158 0.1864232 0.0600526 -2.7933972 0.8672296 -0.0262455 0.3565268 -2.1611561 41 O -2.2553958 -0.2910094 -0.0131279 -0.4759827 -2.4930170 0.4480035 0.1513289 0.6367459 -2.3184148 42 O -1.4677476 0.3159957 -0.0548775 0.3582596 -1.6077545 0.2078630 -0.4216332 0.2552101 -3.8525721 43 O -1.9795398 0.1782158 0.1864232 -0.0600526 -2.7933972 -0.8672296 -0.0262455 -0.3565268 -2.1611561 44 O -3.3515703 0.2460981 0.2980353 0.2639130 -1.7902120 0.3477063 0.7967835 0.2738126 -1.5069561 45 O -1.4677476 0.3159957 -0.0548775 0.3582596 -1.6077545 0.2078630 -0.4216332 0.2552101 -3.8525721 46 O -3.3515703 -0.2460981 0.2980353 -0.2639130 -1.7902120 -0.3477063 0.7967835 -0.2738126 -1.5069561 47 O -2.2553958 0.2910094 -0.0131279 0.4759827 -2.4930170 -0.4480035 0.1513289 -0.6367459 -2.3184148 48 O -2.2553958 0.2910094 -0.0131279 0.4759827 -2.4930170 -0.4480035 0.1513289 -0.6367459 -2.3184148 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5332 Number of blocks in projector: 5332 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: 1160 Use submatrix version of eigh solver. (1) Block: 500 / 1160 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1160 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1160 / 1160 (1) 148 eigenvectors found. (1) Complementary block size: 56 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1144 Use submatrix version of eigh solver. (1) Block: 500 / 1144 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1000 / 1144 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1144 / 1144 (1) 125 eigenvectors found. (1) Complementary block size: 63 (1) Compute compressed projector. (1) Use standard solver. (1) 41 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1144 Use submatrix version of eigh solver. (1) Block: 500 / 1144 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1000 / 1144 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1144 / 1144 (1) 125 eigenvectors found. (1) Complementary block size: 63 (1) Compute compressed projector. (1) Use standard solver. (1) 41 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 628 Use submatrix version of eigh solver. (1) Block: 500 / 628 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 628 / 628 (1) 115 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 628 Use submatrix version of eigh solver. (1) Block: 500 / 628 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 628 / 628 (1) 115 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 628 Use submatrix version of eigh solver. (1) Block: 500 / 628 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 628 / 628 (1) 115 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (5332, 5224), data: False |-- (628, 615), data: False |-- (628, 13), data: (628, 26) @ (26, 13) |-- (128, 115), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 240), data: True |-- (250, 237), data: True |-- (628, 615), data: False |-- (628, 13), data: (628, 26) @ (26, 13) |-- (128, 115), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 240), data: True |-- (250, 237), data: True |-- (628, 615), data: False |-- (628, 13), data: (628, 26) @ (26, 13) |-- (128, 115), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 240), data: True |-- (250, 237), data: True |-- (1144, 1122), data: False |-- (1144, 41), data: (1144, 63) @ (63, 41) |-- (144, 125), data: True |-- (500, 478), data: False |-- (500, 16), data: (500, 38) @ (38, 16) |-- (250, 228), data: True |-- (250, 234), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (1144, 1122), data: False |-- (1144, 41), data: (1144, 63) @ (63, 41) |-- (144, 125), data: True |-- (500, 478), data: False |-- (500, 16), data: (500, 38) @ (38, 16) |-- (250, 228), data: True |-- (250, 234), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (1160, 1135), data: False |-- (1160, 31), data: (1160, 56) @ (56, 31) |-- (160, 148), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1440 - Time: 1.184 Solver_block: 200 / 1440 - Time: 0.998 Solver_block: 300 / 1440 - Time: 0.998 Solver_block: 400 / 1440 - Time: 0.996 Solver_block: 500 / 1440 - Time: 1.002 Solver_block: 600 / 1440 - Time: 0.994 Solver_block: 700 / 1440 - Time: 1.000 Solver_block: 800 / 1440 - Time: 0.993 Solver_block: 900 / 1440 - Time: 1.000 Solver_block: 1000 / 1440 - Time: 0.999 Solver_block: 1100 / 1440 - Time: 0.997 Solver_block: 1200 / 1440 - Time: 0.999 Solver_block: 1300 / 1440 - Time: 0.999 Solver_block: 1400 / 1440 - Time: 0.999 Solver_block: 1440 / 1440 - Time: 0.529 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.108 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5332 Number of blocks in projector: 5332 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: 1160 Use submatrix version of eigh solver. (1) Block: 500 / 1160 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1160 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1160 / 1160 (1) 148 eigenvectors found. (1) Complementary block size: 56 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1144 Use submatrix version of eigh solver. (1) Block: 500 / 1144 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1000 / 1144 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1144 / 1144 (1) 125 eigenvectors found. (1) Complementary block size: 63 (1) Compute compressed projector. (1) Use standard solver. (1) 41 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1144 Use submatrix version of eigh solver. (1) Block: 500 / 1144 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1000 / 1144 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1144 / 1144 (1) 125 eigenvectors found. (1) Complementary block size: 63 (1) Compute compressed projector. (1) Use standard solver. (1) 41 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 628 Use submatrix version of eigh solver. (1) Block: 500 / 628 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 628 / 628 (1) 115 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 628 Use submatrix version of eigh solver. (1) Block: 500 / 628 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 628 / 628 (1) 115 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 628 Use submatrix version of eigh solver. (1) Block: 500 / 628 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 628 / 628 (1) 115 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (5332, 5224), data: False |-- (628, 615), data: False |-- (628, 13), data: (628, 26) @ (26, 13) |-- (128, 115), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 240), data: True |-- (250, 237), data: True |-- (628, 615), data: False |-- (628, 13), data: (628, 26) @ (26, 13) |-- (128, 115), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 240), data: True |-- (250, 237), data: True |-- (628, 615), data: False |-- (628, 13), data: (628, 26) @ (26, 13) |-- (128, 115), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 240), data: True |-- (250, 237), data: True |-- (1144, 1122), data: False |-- (1144, 41), data: (1144, 63) @ (63, 41) |-- (144, 125), data: True |-- (500, 478), data: False |-- (500, 16), data: (500, 38) @ (38, 16) |-- (250, 228), data: True |-- (250, 234), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (1144, 1122), data: False |-- (1144, 41), data: (1144, 63) @ (63, 41) |-- (144, 125), data: True |-- (500, 478), data: False |-- (500, 16), data: (500, 38) @ (38, 16) |-- (250, 228), data: True |-- (250, 234), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (1160, 1135), data: False |-- (1160, 31), data: (1160, 56) @ (56, 31) |-- (160, 148), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 13:10:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:10:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.159414219513149 0.000000000000000 0.000000000000000 b 0.000000000000000 5.410431100000001 0.000000000000000 c -9.452856257522965 0.000000000000000 13.904384128438798 Atomic positions (fractional): 1 Nd 0.50509882423373 0.23595829433776 0.58520308234084 144.242 2 Nd 0.15811418353743 0.25549801258400 0.96683437580767 144.242 3 Nd 0.50509882423373 0.76404170566224 0.08520308234084 144.242 4 Nd 0.50000000000000 0.29256469947228 0.25000000000000 144.242 5 Nd 0.84188581646257 0.25549801258400 0.53316562419233 144.242 6 Nd 0.84188581646257 0.74450198741600 0.03316562419233 144.242 7 Nd 0.49490117576627 0.76404170566224 0.41479691765916 144.242 8 Nd 0.50000000000000 0.70743530052772 0.75000000000000 144.242 9 Nd 0.49490117576627 0.23595829433776 0.91479691765916 144.242 10 Nd 0.15811418353743 0.74450198741600 0.46683437580767 144.242 11 As 0.77422702789532 0.73992463637314 0.36331403299936 74.922 12 As 0.77422702789532 0.26007536362686 0.86331403299936 74.922 13 As 0.23760925124227 0.23751533143754 0.34865105894590 74.922 14 As 0.22577297210468 0.26007536362686 0.63668596700064 74.922 15 As 0.23760925124227 0.76248466856246 0.84865105894590 74.922 16 As 0.76239074875773 0.76248466856246 0.65134894105410 74.922 17 As 0.76239074875773 0.23751533143754 0.15134894105410 74.922 18 As 0.22577297210468 0.73992463637314 0.13668596700064 74.922 19 Cl 0.00624357371934 0.24701780431361 0.08226576478496 35.453 20 Cl 0.99375642628066 0.24701780431361 0.41773423521504 35.453 21 Cl 0.00000000000000 0.25119994523487 0.75000000000000 35.453 22 Cl 0.00000000000000 0.74880005476513 0.25000000000000 35.453 23 Cl 0.00624357371934 0.75298219568639 0.58226576478496 35.453 24 Cl 0.99375642628066 0.75298219568639 0.91773423521504 35.453 25 O 0.67539946571528 0.51101202397957 0.56418473363911 15.999 26 O 0.68640326877980 0.00004106038501 0.05547962240849 15.999 27 O 0.68640326877980 0.99995893961499 0.55547962240849 15.999 28 O 0.67539946571528 0.48898797602043 0.06418473363911 15.999 29 O 0.35963380347616 0.34507638504549 0.75672605500172 15.999 30 O 0.40403342411778 0.82455283147669 0.84369796482143 15.999 31 O 0.31813336327105 0.99540631621829 0.11961987009358 15.999 32 O 0.31813336327105 0.00459368378171 0.61961987009358 15.999 33 O 0.31359673122020 0.99995893961499 0.94452037759151 15.999 34 O 0.40403342411778 0.17544716852331 0.34369796482143 15.999 35 O 0.64036619652384 0.65492361495451 0.24327394499828 15.999 36 O 0.68186663672895 0.00459368378171 0.88038012990642 15.999 37 O 0.68186663672895 0.99540631621829 0.38038012990642 15.999 38 O 0.31359673122020 0.00004106038501 0.44452037759151 15.999 39 O 0.30928413659574 0.48504474435161 0.59655314884509 15.999 40 O 0.32460053428472 0.51101202397957 0.93581526636089 15.999 41 O 0.69071586340426 0.51495525564839 0.40344685115491 15.999 42 O 0.64036619652384 0.34507638504549 0.74327394499828 15.999 43 O 0.32460053428472 0.48898797602043 0.43581526636089 15.999 44 O 0.59596657588222 0.82455283147669 0.65630203517857 15.999 45 O 0.35963380347616 0.65492361495451 0.25672605500172 15.999 46 O 0.59596657588222 0.17544716852331 0.15630203517857 15.999 47 O 0.69071586340426 0.48504474435161 0.90344685115491 15.999 48 O 0.30928413659574 0.51495525564839 0.09655314884509 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.159414219513149 0.000000000000000 0.000000000000000 b 0.000000000000000 10.820862200000002 0.000000000000000 c -9.452856257522965 0.000000000000000 13.904384128438798 Atomic positions (fractional): 1 Nd 0.50509882423373 0.11797914716888 0.58520308234084 144.242 > 1 2 Nd 0.50509882423373 0.61797914716888 0.58520308234084 144.242 > 1 3 Nd 0.15811418353743 0.12774900629200 0.96683437580767 144.242 > 3 4 Nd 0.15811418353743 0.62774900629200 0.96683437580767 144.242 > 3 5 Nd 0.50509882423373 0.38202085283112 0.08520308234084 144.242 > 5 6 Nd 0.50509882423373 0.88202085283112 0.08520308234084 144.242 > 5 7 Nd 0.50000000000000 0.14628234973614 0.25000000000000 144.242 > 7 8 Nd 0.50000000000000 0.64628234973614 0.25000000000000 144.242 > 7 9 Nd 0.84188581646257 0.12774900629200 0.53316562419233 144.242 > 9 10 Nd 0.84188581646257 0.62774900629200 0.53316562419233 144.242 > 9 11 Nd 0.84188581646257 0.37225099370800 0.03316562419233 144.242 > 11 12 Nd 0.84188581646257 0.87225099370800 0.03316562419233 144.242 > 11 13 Nd 0.49490117576627 0.38202085283112 0.41479691765916 144.242 > 13 14 Nd 0.49490117576627 0.88202085283112 0.41479691765916 144.242 > 13 15 Nd 0.50000000000000 0.35371765026386 0.75000000000000 144.242 > 15 16 Nd 0.50000000000000 0.85371765026386 0.75000000000000 144.242 > 15 17 Nd 0.49490117576627 0.11797914716888 0.91479691765916 144.242 > 17 18 Nd 0.49490117576627 0.61797914716888 0.91479691765916 144.242 > 17 19 Nd 0.15811418353743 0.37225099370800 0.46683437580767 144.242 > 19 20 Nd 0.15811418353743 0.87225099370800 0.46683437580767 144.242 > 19 21 As 0.77422702789532 0.36996231818657 0.36331403299936 74.922 > 21 22 As 0.77422702789532 0.86996231818657 0.36331403299936 74.922 > 21 23 As 0.77422702789532 0.13003768181343 0.86331403299936 74.922 > 23 24 As 0.77422702789532 0.63003768181343 0.86331403299936 74.922 > 23 25 As 0.23760925124227 0.11875766571877 0.34865105894590 74.922 > 25 26 As 0.23760925124227 0.61875766571877 0.34865105894590 74.922 > 25 27 As 0.22577297210468 0.13003768181343 0.63668596700064 74.922 > 27 28 As 0.22577297210468 0.63003768181343 0.63668596700064 74.922 > 27 29 As 0.23760925124227 0.38124233428123 0.84865105894590 74.922 > 29 30 As 0.23760925124227 0.88124233428123 0.84865105894590 74.922 > 29 31 As 0.76239074875773 0.38124233428123 0.65134894105410 74.922 > 31 32 As 0.76239074875773 0.88124233428123 0.65134894105410 74.922 > 31 33 As 0.76239074875773 0.11875766571877 0.15134894105410 74.922 > 33 34 As 0.76239074875773 0.61875766571877 0.15134894105410 74.922 > 33 35 As 0.22577297210468 0.36996231818657 0.13668596700064 74.922 > 35 36 As 0.22577297210468 0.86996231818657 0.13668596700064 74.922 > 35 37 Cl 0.00624357371934 0.12350890215681 0.08226576478496 35.453 > 37 38 Cl 0.00624357371934 0.62350890215680 0.08226576478496 35.453 > 37 39 Cl 0.99375642628066 0.12350890215681 0.41773423521504 35.453 > 39 40 Cl 0.99375642628066 0.62350890215680 0.41773423521504 35.453 > 39 41 Cl 0.00000000000000 0.12559997261744 0.75000000000000 35.453 > 41 42 Cl 0.00000000000000 0.62559997261744 0.75000000000000 35.453 > 41 43 Cl 0.00000000000000 0.37440002738256 0.25000000000000 35.453 > 43 44 Cl 0.00000000000000 0.87440002738256 0.25000000000000 35.453 > 43 45 Cl 0.00624357371934 0.37649109784320 0.58226576478496 35.453 > 45 46 Cl 0.00624357371934 0.87649109784320 0.58226576478496 35.453 > 45 47 Cl 0.99375642628066 0.37649109784320 0.91773423521504 35.453 > 47 48 Cl 0.99375642628066 0.87649109784320 0.91773423521504 35.453 > 47 49 O 0.67539946571528 0.25550601198979 0.56418473363911 15.999 > 49 50 O 0.67539946571528 0.75550601198979 0.56418473363911 15.999 > 49 51 O 0.68640326877980 0.00002053019250 0.05547962240849 15.999 > 51 52 O 0.68640326877980 0.50002053019250 0.05547962240849 15.999 > 51 53 O 0.68640326877980 0.49997946980750 0.55547962240849 15.999 > 53 54 O 0.68640326877980 0.99997946980750 0.55547962240849 15.999 > 53 55 O 0.67539946571528 0.24449398801021 0.06418473363911 15.999 > 55 56 O 0.67539946571528 0.74449398801021 0.06418473363911 15.999 > 55 57 O 0.35963380347616 0.17253819252274 0.75672605500172 15.999 > 57 58 O 0.35963380347616 0.67253819252274 0.75672605500172 15.999 > 57 59 O 0.40403342411778 0.41227641573834 0.84369796482143 15.999 > 59 60 O 0.40403342411778 0.91227641573834 0.84369796482143 15.999 > 59 61 O 0.31813336327105 0.49770315810915 0.11961987009358 15.999 > 61 62 O 0.31813336327105 0.99770315810915 0.11961987009358 15.999 > 61 63 O 0.31813336327105 0.00229684189085 0.61961987009358 15.999 > 63 64 O 0.31813336327105 0.50229684189085 0.61961987009358 15.999 > 63 65 O 0.31359673122020 0.49997946980750 0.94452037759151 15.999 > 65 66 O 0.31359673122020 0.99997946980750 0.94452037759151 15.999 > 65 67 O 0.40403342411778 0.08772358426166 0.34369796482143 15.999 > 67 68 O 0.40403342411778 0.58772358426166 0.34369796482143 15.999 > 67 69 O 0.64036619652384 0.32746180747726 0.24327394499828 15.999 > 69 70 O 0.64036619652384 0.82746180747726 0.24327394499828 15.999 > 69 71 O 0.68186663672895 0.00229684189085 0.88038012990642 15.999 > 71 72 O 0.68186663672895 0.50229684189085 0.88038012990642 15.999 > 71 73 O 0.68186663672895 0.49770315810915 0.38038012990642 15.999 > 73 74 O 0.68186663672895 0.99770315810915 0.38038012990642 15.999 > 73 75 O 0.31359673122020 0.00002053019250 0.44452037759151 15.999 > 75 76 O 0.31359673122020 0.50002053019250 0.44452037759151 15.999 > 75 77 O 0.30928413659574 0.24252237217580 0.59655314884509 15.999 > 77 78 O 0.30928413659574 0.74252237217580 0.59655314884509 15.999 > 77 79 O 0.32460053428472 0.25550601198979 0.93581526636089 15.999 > 79 80 O 0.32460053428472 0.75550601198979 0.93581526636089 15.999 > 79 81 O 0.69071586340426 0.25747762782420 0.40344685115491 15.999 > 81 82 O 0.69071586340426 0.75747762782420 0.40344685115491 15.999 > 81 83 O 0.64036619652384 0.17253819252274 0.74327394499828 15.999 > 83 84 O 0.64036619652384 0.67253819252274 0.74327394499828 15.999 > 83 85 O 0.32460053428472 0.24449398801021 0.43581526636089 15.999 > 85 86 O 0.32460053428472 0.74449398801021 0.43581526636089 15.999 > 85 87 O 0.59596657588222 0.41227641573834 0.65630203517857 15.999 > 87 88 O 0.59596657588222 0.91227641573834 0.65630203517857 15.999 > 87 89 O 0.35963380347616 0.32746180747726 0.25672605500172 15.999 > 89 90 O 0.35963380347616 0.82746180747726 0.25672605500172 15.999 > 89 91 O 0.59596657588222 0.08772358426166 0.15630203517857 15.999 > 91 92 O 0.59596657588222 0.58772358426166 0.15630203517857 15.999 > 91 93 O 0.69071586340426 0.24252237217580 0.90344685115491 15.999 > 93 94 O 0.69071586340426 0.74252237217580 0.90344685115491 15.999 > 93 95 O 0.30928413659574 0.25747762782420 0.09655314884509 15.999 > 95 96 O 0.30928413659574 0.75747762782420 0.09655314884509 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3464652 0.0000000 -0.0765955 0.0000000 4.4410545 0.0000000 -0.0773395 0.0000000 4.3550125 -------------------------- Born effective charges -------------------------- 1 Nd 4.2543396 -0.1922956 0.0368683 -0.0240290 3.8969277 0.0146304 0.0792152 0.2413125 4.6495898 2 Nd 4.2284724 -0.2329903 -0.3509266 -0.1471820 4.5905758 0.2197138 -0.3244705 0.3303963 3.9079689 3 Nd 4.2543396 0.1922956 0.0368683 0.0240290 3.8969277 -0.0146304 0.0792152 -0.2413125 4.6495898 4 Nd 4.3565302 -0.0000000 -0.2577623 0.0000000 4.3928988 0.0000000 -0.2269952 0.0000000 4.4241177 5 Nd 4.2284724 0.2329903 -0.3509266 0.1471820 4.5905758 -0.2197138 -0.3244705 -0.3303963 3.9079689 6 Nd 4.2284724 -0.2329903 -0.3509266 -0.1471820 4.5905758 0.2197138 -0.3244705 0.3303963 3.9079689 7 Nd 4.2543396 -0.1922956 0.0368683 -0.0240290 3.8969277 0.0146304 0.0792152 0.2413125 4.6495898 8 Nd 4.3565302 -0.0000000 -0.2577623 0.0000000 4.3928988 0.0000000 -0.2269952 0.0000000 4.4241177 9 Nd 4.2543396 0.1922956 0.0368683 0.0240290 3.8969277 -0.0146304 0.0792152 -0.2413125 4.6495898 10 Nd 4.2284724 0.2329903 -0.3509266 0.1471820 4.5905758 -0.2197138 -0.3244705 -0.3303963 3.9079689 11 As 2.1036532 -0.0556209 -0.1599688 -0.0473150 2.8523029 0.3579882 -0.1786753 0.4022354 3.1922152 12 As 2.1036532 0.0556209 -0.1599688 0.0473150 2.8523029 -0.3579882 -0.1786753 -0.4022354 3.1922152 13 As 2.8073364 -0.1398878 -0.3034036 -0.1530762 3.0135234 0.1327788 -0.2397239 0.0654061 2.4952096 14 As 2.1036532 -0.0556209 -0.1599688 -0.0473150 2.8523029 0.3579882 -0.1786753 0.4022354 3.1922152 15 As 2.8073364 0.1398878 -0.3034036 0.1530762 3.0135234 -0.1327788 -0.2397239 -0.0654061 2.4952096 16 As 2.8073364 -0.1398878 -0.3034036 -0.1530762 3.0135234 0.1327788 -0.2397239 0.0654061 2.4952096 17 As 2.8073364 0.1398878 -0.3034036 0.1530762 3.0135234 -0.1327788 -0.2397239 -0.0654061 2.4952096 18 As 2.1036532 0.0556209 -0.1599688 0.0473150 2.8523029 -0.3579882 -0.1786753 -0.4022354 3.1922152 19 Cl -1.4414277 -0.0256975 0.1133730 -0.0305598 -1.8667227 0.0004888 0.1121124 -0.0324410 -1.2527767 20 Cl -1.4414277 0.0256975 0.1133730 0.0305598 -1.8667227 -0.0004888 0.1121124 0.0324410 -1.2527767 21 Cl -1.1934798 -0.0000000 0.1723735 0.0000000 -1.3395389 0.0000000 0.1297366 0.0000000 -2.3286448 22 Cl -1.1934798 -0.0000000 0.1723735 0.0000000 -1.3395389 0.0000000 0.1297366 0.0000000 -2.3286448 23 Cl -1.4414277 0.0256975 0.1133730 0.0305598 -1.8667227 -0.0004888 0.1121124 0.0324410 -1.2527767 24 Cl -1.4414277 -0.0256975 0.1133730 -0.0305598 -1.8667227 0.0004888 0.1121124 -0.0324410 -1.2527767 25 O -1.9795398 0.1782158 0.1864232 -0.0600526 -2.7933972 -0.8672296 -0.0262455 -0.3565268 -2.1611561 26 O -2.2512042 0.6061754 0.3779001 0.3619442 -2.6458648 -0.6849334 0.0625647 -0.3137588 -2.3675639 27 O -2.2512042 -0.6061754 0.3779001 -0.3619442 -2.6458648 0.6849334 0.0625647 0.3137588 -2.3675639 28 O -1.9795398 -0.1782158 0.1864232 0.0600526 -2.7933972 0.8672296 -0.0262455 0.3565268 -2.1611561 29 O -1.4677476 -0.3159957 -0.0548775 -0.3582596 -1.6077545 -0.2078630 -0.4216332 -0.2552101 -3.8525721 30 O -3.3515703 -0.2460981 0.2980353 -0.2639130 -1.7902120 -0.3477063 0.7967835 -0.2738126 -1.5069561 31 O -2.2284412 -0.5111048 -0.0876012 -0.8007317 -2.6830416 0.1119623 0.0373730 0.2391550 -1.8332802 32 O -2.2284412 0.5111048 -0.0876012 0.8007317 -2.6830416 -0.1119623 0.0373730 -0.2391550 -1.8332802 33 O -2.2512042 0.6061754 0.3779001 0.3619442 -2.6458648 -0.6849334 0.0625647 -0.3137588 -2.3675639 34 O -3.3515703 0.2460981 0.2980353 0.2639130 -1.7902120 0.3477063 0.7967835 0.2738126 -1.5069561 35 O -1.4677476 -0.3159957 -0.0548775 -0.3582596 -1.6077545 -0.2078630 -0.4216332 -0.2552101 -3.8525721 36 O -2.2284412 -0.5111048 -0.0876012 -0.8007317 -2.6830416 0.1119623 0.0373730 0.2391550 -1.8332802 37 O -2.2284412 0.5111048 -0.0876012 0.8007317 -2.6830416 -0.1119623 0.0373730 -0.2391550 -1.8332802 38 O -2.2512042 -0.6061754 0.3779001 -0.3619442 -2.6458648 0.6849334 0.0625647 0.3137588 -2.3675639 39 O -2.2553958 -0.2910094 -0.0131279 -0.4759827 -2.4930170 0.4480035 0.1513289 0.6367459 -2.3184148 40 O -1.9795398 -0.1782158 0.1864232 0.0600526 -2.7933972 0.8672296 -0.0262455 0.3565268 -2.1611561 41 O -2.2553958 -0.2910094 -0.0131279 -0.4759827 -2.4930170 0.4480035 0.1513289 0.6367459 -2.3184148 42 O -1.4677476 0.3159957 -0.0548775 0.3582596 -1.6077545 0.2078630 -0.4216332 0.2552101 -3.8525721 43 O -1.9795398 0.1782158 0.1864232 -0.0600526 -2.7933972 -0.8672296 -0.0262455 -0.3565268 -2.1611561 44 O -3.3515703 0.2460981 0.2980353 0.2639130 -1.7902120 0.3477063 0.7967835 0.2738126 -1.5069561 45 O -1.4677476 0.3159957 -0.0548775 0.3582596 -1.6077545 0.2078630 -0.4216332 0.2552101 -3.8525721 46 O -3.3515703 -0.2460981 0.2980353 -0.2639130 -1.7902120 -0.3477063 0.7967835 -0.2738126 -1.5069561 47 O -2.2553958 0.2910094 -0.0131279 0.4759827 -2.4930170 -0.4480035 0.1513289 -0.6367459 -2.3184148 48 O -2.2553958 0.2910094 -0.0131279 0.4759827 -2.4930170 -0.4480035 0.1513289 -0.6367459 -2.3184148 ---------------------------------------------------------------------------- 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 7, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 21, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 37, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 57, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 59, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 61, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 77, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) 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 13:10:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:10:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.159414219513149 0.000000000000000 0.000000000000000 b 0.000000000000000 5.410431100000001 0.000000000000000 c -9.452856257522965 0.000000000000000 13.904384128438798 Atomic positions (fractional): 1 Nd 0.50509882423373 0.23595829433776 0.58520308234084 144.242 2 Nd 0.15811418353743 0.25549801258400 0.96683437580767 144.242 3 Nd 0.50509882423373 0.76404170566224 0.08520308234084 144.242 4 Nd 0.50000000000000 0.29256469947228 0.25000000000000 144.242 5 Nd 0.84188581646257 0.25549801258400 0.53316562419233 144.242 6 Nd 0.84188581646257 0.74450198741600 0.03316562419233 144.242 7 Nd 0.49490117576627 0.76404170566224 0.41479691765916 144.242 8 Nd 0.50000000000000 0.70743530052772 0.75000000000000 144.242 9 Nd 0.49490117576627 0.23595829433776 0.91479691765916 144.242 10 Nd 0.15811418353743 0.74450198741600 0.46683437580767 144.242 11 As 0.77422702789532 0.73992463637314 0.36331403299936 74.922 12 As 0.77422702789532 0.26007536362686 0.86331403299936 74.922 13 As 0.23760925124227 0.23751533143754 0.34865105894590 74.922 14 As 0.22577297210468 0.26007536362686 0.63668596700064 74.922 15 As 0.23760925124227 0.76248466856246 0.84865105894590 74.922 16 As 0.76239074875773 0.76248466856246 0.65134894105410 74.922 17 As 0.76239074875773 0.23751533143754 0.15134894105410 74.922 18 As 0.22577297210468 0.73992463637314 0.13668596700064 74.922 19 Cl 0.00624357371934 0.24701780431361 0.08226576478496 35.453 20 Cl 0.99375642628066 0.24701780431361 0.41773423521504 35.453 21 Cl 0.00000000000000 0.25119994523487 0.75000000000000 35.453 22 Cl 0.00000000000000 0.74880005476513 0.25000000000000 35.453 23 Cl 0.00624357371934 0.75298219568639 0.58226576478496 35.453 24 Cl 0.99375642628066 0.75298219568639 0.91773423521504 35.453 25 O 0.67539946571528 0.51101202397957 0.56418473363911 15.999 26 O 0.68640326877980 0.00004106038501 0.05547962240849 15.999 27 O 0.68640326877980 0.99995893961499 0.55547962240849 15.999 28 O 0.67539946571528 0.48898797602043 0.06418473363911 15.999 29 O 0.35963380347616 0.34507638504549 0.75672605500172 15.999 30 O 0.40403342411778 0.82455283147669 0.84369796482143 15.999 31 O 0.31813336327105 0.99540631621829 0.11961987009358 15.999 32 O 0.31813336327105 0.00459368378171 0.61961987009358 15.999 33 O 0.31359673122020 0.99995893961499 0.94452037759151 15.999 34 O 0.40403342411778 0.17544716852331 0.34369796482143 15.999 35 O 0.64036619652384 0.65492361495451 0.24327394499828 15.999 36 O 0.68186663672895 0.00459368378171 0.88038012990642 15.999 37 O 0.68186663672895 0.99540631621829 0.38038012990642 15.999 38 O 0.31359673122020 0.00004106038501 0.44452037759151 15.999 39 O 0.30928413659574 0.48504474435161 0.59655314884509 15.999 40 O 0.32460053428472 0.51101202397957 0.93581526636089 15.999 41 O 0.69071586340426 0.51495525564839 0.40344685115491 15.999 42 O 0.64036619652384 0.34507638504549 0.74327394499828 15.999 43 O 0.32460053428472 0.48898797602043 0.43581526636089 15.999 44 O 0.59596657588222 0.82455283147669 0.65630203517857 15.999 45 O 0.35963380347616 0.65492361495451 0.25672605500172 15.999 46 O 0.59596657588222 0.17544716852331 0.15630203517857 15.999 47 O 0.69071586340426 0.48504474435161 0.90344685115491 15.999 48 O 0.30928413659574 0.51495525564839 0.09655314884509 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.159414219513149 0.000000000000000 0.000000000000000 b 0.000000000000000 10.820862200000002 0.000000000000000 c -9.452856257522965 0.000000000000000 13.904384128438798 Atomic positions (fractional): 1 Nd 0.50509882423373 0.11797914716888 0.58520308234084 144.242 > 1 2 Nd 0.50509882423373 0.61797914716888 0.58520308234084 144.242 > 1 3 Nd 0.15811418353743 0.12774900629200 0.96683437580767 144.242 > 3 4 Nd 0.15811418353743 0.62774900629200 0.96683437580767 144.242 > 3 5 Nd 0.50509882423373 0.38202085283112 0.08520308234084 144.242 > 5 6 Nd 0.50509882423373 0.88202085283112 0.08520308234084 144.242 > 5 7 Nd 0.50000000000000 0.14628234973614 0.25000000000000 144.242 > 7 8 Nd 0.50000000000000 0.64628234973614 0.25000000000000 144.242 > 7 9 Nd 0.84188581646257 0.12774900629200 0.53316562419233 144.242 > 9 10 Nd 0.84188581646257 0.62774900629200 0.53316562419233 144.242 > 9 11 Nd 0.84188581646257 0.37225099370800 0.03316562419233 144.242 > 11 12 Nd 0.84188581646257 0.87225099370800 0.03316562419233 144.242 > 11 13 Nd 0.49490117576627 0.38202085283112 0.41479691765916 144.242 > 13 14 Nd 0.49490117576627 0.88202085283112 0.41479691765916 144.242 > 13 15 Nd 0.50000000000000 0.35371765026386 0.75000000000000 144.242 > 15 16 Nd 0.50000000000000 0.85371765026386 0.75000000000000 144.242 > 15 17 Nd 0.49490117576627 0.11797914716888 0.91479691765916 144.242 > 17 18 Nd 0.49490117576627 0.61797914716888 0.91479691765916 144.242 > 17 19 Nd 0.15811418353743 0.37225099370800 0.46683437580767 144.242 > 19 20 Nd 0.15811418353743 0.87225099370800 0.46683437580767 144.242 > 19 21 As 0.77422702789532 0.36996231818657 0.36331403299936 74.922 > 21 22 As 0.77422702789532 0.86996231818657 0.36331403299936 74.922 > 21 23 As 0.77422702789532 0.13003768181343 0.86331403299936 74.922 > 23 24 As 0.77422702789532 0.63003768181343 0.86331403299936 74.922 > 23 25 As 0.23760925124227 0.11875766571877 0.34865105894590 74.922 > 25 26 As 0.23760925124227 0.61875766571877 0.34865105894590 74.922 > 25 27 As 0.22577297210468 0.13003768181343 0.63668596700064 74.922 > 27 28 As 0.22577297210468 0.63003768181343 0.63668596700064 74.922 > 27 29 As 0.23760925124227 0.38124233428123 0.84865105894590 74.922 > 29 30 As 0.23760925124227 0.88124233428123 0.84865105894590 74.922 > 29 31 As 0.76239074875773 0.38124233428123 0.65134894105410 74.922 > 31 32 As 0.76239074875773 0.88124233428123 0.65134894105410 74.922 > 31 33 As 0.76239074875773 0.11875766571877 0.15134894105410 74.922 > 33 34 As 0.76239074875773 0.61875766571877 0.15134894105410 74.922 > 33 35 As 0.22577297210468 0.36996231818657 0.13668596700064 74.922 > 35 36 As 0.22577297210468 0.86996231818657 0.13668596700064 74.922 > 35 37 Cl 0.00624357371934 0.12350890215681 0.08226576478496 35.453 > 37 38 Cl 0.00624357371934 0.62350890215680 0.08226576478496 35.453 > 37 39 Cl 0.99375642628066 0.12350890215681 0.41773423521504 35.453 > 39 40 Cl 0.99375642628066 0.62350890215680 0.41773423521504 35.453 > 39 41 Cl 0.00000000000000 0.12559997261744 0.75000000000000 35.453 > 41 42 Cl 0.00000000000000 0.62559997261744 0.75000000000000 35.453 > 41 43 Cl 0.00000000000000 0.37440002738256 0.25000000000000 35.453 > 43 44 Cl 0.00000000000000 0.87440002738256 0.25000000000000 35.453 > 43 45 Cl 0.00624357371934 0.37649109784320 0.58226576478496 35.453 > 45 46 Cl 0.00624357371934 0.87649109784320 0.58226576478496 35.453 > 45 47 Cl 0.99375642628066 0.37649109784320 0.91773423521504 35.453 > 47 48 Cl 0.99375642628066 0.87649109784320 0.91773423521504 35.453 > 47 49 O 0.67539946571528 0.25550601198979 0.56418473363911 15.999 > 49 50 O 0.67539946571528 0.75550601198979 0.56418473363911 15.999 > 49 51 O 0.68640326877980 0.00002053019250 0.05547962240849 15.999 > 51 52 O 0.68640326877980 0.50002053019250 0.05547962240849 15.999 > 51 53 O 0.68640326877980 0.49997946980750 0.55547962240849 15.999 > 53 54 O 0.68640326877980 0.99997946980750 0.55547962240849 15.999 > 53 55 O 0.67539946571528 0.24449398801021 0.06418473363911 15.999 > 55 56 O 0.67539946571528 0.74449398801021 0.06418473363911 15.999 > 55 57 O 0.35963380347616 0.17253819252274 0.75672605500172 15.999 > 57 58 O 0.35963380347616 0.67253819252274 0.75672605500172 15.999 > 57 59 O 0.40403342411778 0.41227641573834 0.84369796482143 15.999 > 59 60 O 0.40403342411778 0.91227641573834 0.84369796482143 15.999 > 59 61 O 0.31813336327105 0.49770315810915 0.11961987009358 15.999 > 61 62 O 0.31813336327105 0.99770315810915 0.11961987009358 15.999 > 61 63 O 0.31813336327105 0.00229684189085 0.61961987009358 15.999 > 63 64 O 0.31813336327105 0.50229684189085 0.61961987009358 15.999 > 63 65 O 0.31359673122020 0.49997946980750 0.94452037759151 15.999 > 65 66 O 0.31359673122020 0.99997946980750 0.94452037759151 15.999 > 65 67 O 0.40403342411778 0.08772358426166 0.34369796482143 15.999 > 67 68 O 0.40403342411778 0.58772358426166 0.34369796482143 15.999 > 67 69 O 0.64036619652384 0.32746180747726 0.24327394499828 15.999 > 69 70 O 0.64036619652384 0.82746180747726 0.24327394499828 15.999 > 69 71 O 0.68186663672895 0.00229684189085 0.88038012990642 15.999 > 71 72 O 0.68186663672895 0.50229684189085 0.88038012990642 15.999 > 71 73 O 0.68186663672895 0.49770315810915 0.38038012990642 15.999 > 73 74 O 0.68186663672895 0.99770315810915 0.38038012990642 15.999 > 73 75 O 0.31359673122020 0.00002053019250 0.44452037759151 15.999 > 75 76 O 0.31359673122020 0.50002053019250 0.44452037759151 15.999 > 75 77 O 0.30928413659574 0.24252237217580 0.59655314884509 15.999 > 77 78 O 0.30928413659574 0.74252237217580 0.59655314884509 15.999 > 77 79 O 0.32460053428472 0.25550601198979 0.93581526636089 15.999 > 79 80 O 0.32460053428472 0.75550601198979 0.93581526636089 15.999 > 79 81 O 0.69071586340426 0.25747762782420 0.40344685115491 15.999 > 81 82 O 0.69071586340426 0.75747762782420 0.40344685115491 15.999 > 81 83 O 0.64036619652384 0.17253819252274 0.74327394499828 15.999 > 83 84 O 0.64036619652384 0.67253819252274 0.74327394499828 15.999 > 83 85 O 0.32460053428472 0.24449398801021 0.43581526636089 15.999 > 85 86 O 0.32460053428472 0.74449398801021 0.43581526636089 15.999 > 85 87 O 0.59596657588222 0.41227641573834 0.65630203517857 15.999 > 87 88 O 0.59596657588222 0.91227641573834 0.65630203517857 15.999 > 87 89 O 0.35963380347616 0.32746180747726 0.25672605500172 15.999 > 89 90 O 0.35963380347616 0.82746180747726 0.25672605500172 15.999 > 89 91 O 0.59596657588222 0.08772358426166 0.15630203517857 15.999 > 91 92 O 0.59596657588222 0.58772358426166 0.15630203517857 15.999 > 91 93 O 0.69071586340426 0.24252237217580 0.90344685115491 15.999 > 93 94 O 0.69071586340426 0.74252237217580 0.90344685115491 15.999 > 93 95 O 0.30928413659574 0.25747762782420 0.09655314884509 15.999 > 95 96 O 0.30928413659574 0.75747762782420 0.09655314884509 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3464652 0.0000000 -0.0765955 0.0000000 4.4410545 0.0000000 -0.0773395 0.0000000 4.3550125 -------------------------- Born effective charges -------------------------- 1 Nd 4.2543396 -0.1922956 0.0368683 -0.0240290 3.8969277 0.0146304 0.0792152 0.2413125 4.6495898 2 Nd 4.2284724 -0.2329903 -0.3509266 -0.1471820 4.5905758 0.2197138 -0.3244705 0.3303963 3.9079689 3 Nd 4.2543396 0.1922956 0.0368683 0.0240290 3.8969277 -0.0146304 0.0792152 -0.2413125 4.6495898 4 Nd 4.3565302 -0.0000000 -0.2577623 0.0000000 4.3928988 0.0000000 -0.2269952 0.0000000 4.4241177 5 Nd 4.2284724 0.2329903 -0.3509266 0.1471820 4.5905758 -0.2197138 -0.3244705 -0.3303963 3.9079689 6 Nd 4.2284724 -0.2329903 -0.3509266 -0.1471820 4.5905758 0.2197138 -0.3244705 0.3303963 3.9079689 7 Nd 4.2543396 -0.1922956 0.0368683 -0.0240290 3.8969277 0.0146304 0.0792152 0.2413125 4.6495898 8 Nd 4.3565302 -0.0000000 -0.2577623 0.0000000 4.3928988 0.0000000 -0.2269952 0.0000000 4.4241177 9 Nd 4.2543396 0.1922956 0.0368683 0.0240290 3.8969277 -0.0146304 0.0792152 -0.2413125 4.6495898 10 Nd 4.2284724 0.2329903 -0.3509266 0.1471820 4.5905758 -0.2197138 -0.3244705 -0.3303963 3.9079689 11 As 2.1036532 -0.0556209 -0.1599688 -0.0473150 2.8523029 0.3579882 -0.1786753 0.4022354 3.1922152 12 As 2.1036532 0.0556209 -0.1599688 0.0473150 2.8523029 -0.3579882 -0.1786753 -0.4022354 3.1922152 13 As 2.8073364 -0.1398878 -0.3034036 -0.1530762 3.0135234 0.1327788 -0.2397239 0.0654061 2.4952096 14 As 2.1036532 -0.0556209 -0.1599688 -0.0473150 2.8523029 0.3579882 -0.1786753 0.4022354 3.1922152 15 As 2.8073364 0.1398878 -0.3034036 0.1530762 3.0135234 -0.1327788 -0.2397239 -0.0654061 2.4952096 16 As 2.8073364 -0.1398878 -0.3034036 -0.1530762 3.0135234 0.1327788 -0.2397239 0.0654061 2.4952096 17 As 2.8073364 0.1398878 -0.3034036 0.1530762 3.0135234 -0.1327788 -0.2397239 -0.0654061 2.4952096 18 As 2.1036532 0.0556209 -0.1599688 0.0473150 2.8523029 -0.3579882 -0.1786753 -0.4022354 3.1922152 19 Cl -1.4414277 -0.0256975 0.1133730 -0.0305598 -1.8667227 0.0004888 0.1121124 -0.0324410 -1.2527767 20 Cl -1.4414277 0.0256975 0.1133730 0.0305598 -1.8667227 -0.0004888 0.1121124 0.0324410 -1.2527767 21 Cl -1.1934798 -0.0000000 0.1723735 0.0000000 -1.3395389 0.0000000 0.1297366 0.0000000 -2.3286448 22 Cl -1.1934798 -0.0000000 0.1723735 0.0000000 -1.3395389 0.0000000 0.1297366 0.0000000 -2.3286448 23 Cl -1.4414277 0.0256975 0.1133730 0.0305598 -1.8667227 -0.0004888 0.1121124 0.0324410 -1.2527767 24 Cl -1.4414277 -0.0256975 0.1133730 -0.0305598 -1.8667227 0.0004888 0.1121124 -0.0324410 -1.2527767 25 O -1.9795398 0.1782158 0.1864232 -0.0600526 -2.7933972 -0.8672296 -0.0262455 -0.3565268 -2.1611561 26 O -2.2512042 0.6061754 0.3779001 0.3619442 -2.6458648 -0.6849334 0.0625647 -0.3137588 -2.3675639 27 O -2.2512042 -0.6061754 0.3779001 -0.3619442 -2.6458648 0.6849334 0.0625647 0.3137588 -2.3675639 28 O -1.9795398 -0.1782158 0.1864232 0.0600526 -2.7933972 0.8672296 -0.0262455 0.3565268 -2.1611561 29 O -1.4677476 -0.3159957 -0.0548775 -0.3582596 -1.6077545 -0.2078630 -0.4216332 -0.2552101 -3.8525721 30 O -3.3515703 -0.2460981 0.2980353 -0.2639130 -1.7902120 -0.3477063 0.7967835 -0.2738126 -1.5069561 31 O -2.2284412 -0.5111048 -0.0876012 -0.8007317 -2.6830416 0.1119623 0.0373730 0.2391550 -1.8332802 32 O -2.2284412 0.5111048 -0.0876012 0.8007317 -2.6830416 -0.1119623 0.0373730 -0.2391550 -1.8332802 33 O -2.2512042 0.6061754 0.3779001 0.3619442 -2.6458648 -0.6849334 0.0625647 -0.3137588 -2.3675639 34 O -3.3515703 0.2460981 0.2980353 0.2639130 -1.7902120 0.3477063 0.7967835 0.2738126 -1.5069561 35 O -1.4677476 -0.3159957 -0.0548775 -0.3582596 -1.6077545 -0.2078630 -0.4216332 -0.2552101 -3.8525721 36 O -2.2284412 -0.5111048 -0.0876012 -0.8007317 -2.6830416 0.1119623 0.0373730 0.2391550 -1.8332802 37 O -2.2284412 0.5111048 -0.0876012 0.8007317 -2.6830416 -0.1119623 0.0373730 -0.2391550 -1.8332802 38 O -2.2512042 -0.6061754 0.3779001 -0.3619442 -2.6458648 0.6849334 0.0625647 0.3137588 -2.3675639 39 O -2.2553958 -0.2910094 -0.0131279 -0.4759827 -2.4930170 0.4480035 0.1513289 0.6367459 -2.3184148 40 O -1.9795398 -0.1782158 0.1864232 0.0600526 -2.7933972 0.8672296 -0.0262455 0.3565268 -2.1611561 41 O -2.2553958 -0.2910094 -0.0131279 -0.4759827 -2.4930170 0.4480035 0.1513289 0.6367459 -2.3184148 42 O -1.4677476 0.3159957 -0.0548775 0.3582596 -1.6077545 0.2078630 -0.4216332 0.2552101 -3.8525721 43 O -1.9795398 0.1782158 0.1864232 -0.0600526 -2.7933972 -0.8672296 -0.0262455 -0.3565268 -2.1611561 44 O -3.3515703 0.2460981 0.2980353 0.2639130 -1.7902120 0.3477063 0.7967835 0.2738126 -1.5069561 45 O -1.4677476 0.3159957 -0.0548775 0.3582596 -1.6077545 0.2078630 -0.4216332 0.2552101 -3.8525721 46 O -3.3515703 -0.2460981 0.2980353 -0.2639130 -1.7902120 -0.3477063 0.7967835 -0.2738126 -1.5069561 47 O -2.2553958 0.2910094 -0.0131279 0.4759827 -2.4930170 -0.4480035 0.1513289 -0.6367459 -2.3184148 48 O -2.2553958 0.2910094 -0.0131279 0.4759827 -2.4930170 -0.4480035 0.1513289 -0.6367459 -2.3184148 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.45, Number of G-points: 309, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/70) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.270 ( 0.000 0.000 0.000) 0.000 1.428 ( 0.000 0.000 0.000) 0.000 1.642 ( 0.000 0.000 0.000) 0.000 2.065 ( 0.000 0.000 0.000) 0.000 2.088 ( 0.000 0.000 0.000) 0.000 2.262 ( 0.000 0.000 0.000) 0.000 2.390 ( 0.000 0.000 0.000) 0.000 2.448 ( 0.000 0.000 0.000) 0.000 2.514 ( 0.000 0.000 0.000) 0.000 2.560 ( 0.000 0.000 0.000) 0.000 2.597 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.215 ( 0.000 0.000 0.000) 0.000 3.261 ( 0.000 0.000 0.000) 0.000 3.295 ( 0.000 0.000 0.000) 0.000 3.309 ( 0.000 0.000 0.000) 0.000 3.337 ( 0.000 0.000 0.000) 0.000 3.352 ( 0.000 0.000 0.000) 0.000 3.474 ( 0.000 0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.714 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 3.760 ( 0.000 0.000 0.000) 0.000 3.890 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.051 ( 0.000 0.000 0.000) 0.000 4.069 ( 0.000 0.000 0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.236 ( 0.000 0.000 0.000) 0.000 4.252 ( 0.000 0.000 0.000) 0.000 4.277 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.389 ( 0.000 0.000 0.000) 0.000 4.405 ( 0.000 0.000 0.000) 0.000 4.494 ( 0.000 0.000 0.000) 0.000 4.513 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 4.651 ( 0.000 0.000 0.000) 0.000 4.728 ( 0.000 0.000 0.000) 0.000 4.738 ( 0.000 0.000 0.000) 0.000 4.752 ( 0.000 0.000 0.000) 0.000 4.793 ( 0.000 0.000 0.000) 0.000 4.832 ( 0.000 0.000 0.000) 0.000 5.127 ( 0.000 0.000 0.000) 0.000 5.241 ( 0.000 0.000 0.000) 0.000 5.325 ( 0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000 5.439 ( 0.000 0.000 0.000) 0.000 5.540 ( 0.000 0.000 0.000) 0.000 5.624 ( 0.000 0.000 0.000) 0.000 5.647 ( 0.000 0.000 0.000) 0.000 5.731 ( 0.000 0.000 0.000) 0.000 5.769 ( 0.000 0.000 0.000) 0.000 5.966 ( 0.000 0.000 0.000) 0.000 6.035 ( 0.000 0.000 0.000) 0.000 6.136 ( 0.000 0.000 0.000) 0.000 6.202 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.322 ( 0.000 0.000 0.000) 0.000 6.371 ( 0.000 0.000 0.000) 0.000 6.498 ( 0.000 0.000 0.000) 0.000 6.828 ( 0.000 0.000 0.000) 0.000 6.856 ( 0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 6.940 ( 0.000 0.000 0.000) 0.000 7.206 ( 0.000 0.000 0.000) 0.000 7.333 ( 0.000 0.000 0.000) 0.000 7.358 ( 0.000 0.000 0.000) 0.000 7.565 ( 0.000 0.000 0.000) 0.000 7.577 ( 0.000 0.000 0.000) 0.000 7.590 ( 0.000 0.000 0.000) 0.000 7.710 ( 0.000 0.000 0.000) 0.000 8.434 ( 0.000 0.000 0.000) 0.000 8.509 ( 0.000 0.000 0.000) 0.000 8.512 ( 0.000 0.000 0.000) 0.000 9.113 ( 0.000 0.000 0.000) 0.000 9.509 ( 0.000 0.000 0.000) 0.000 9.529 ( 0.000 0.000 0.000) 0.000 9.591 ( 0.000 0.000 0.000) 0.000 9.662 ( 0.000 0.000 0.000) 0.000 9.871 ( 0.000 0.000 0.000) 0.000 9.916 ( 0.000 0.000 0.000) 0.000 9.939 ( 0.000 0.000 0.000) 0.000 9.969 ( 0.000 0.000 0.000) 0.000 10.320 ( 0.000 0.000 0.000) 0.000 10.820 ( 0.000 0.000 0.000) 0.000 10.847 ( 0.000 0.000 0.000) 0.000 10.981 ( 0.000 0.000 0.000) 0.000 11.183 ( 0.000 0.000 0.000) 0.000 11.777 ( 0.000 0.000 0.000) 0.000 11.811 ( 0.000 0.000 0.000) 0.000 12.015 ( 0.000 0.000 0.000) 0.000 12.163 ( 0.000 0.000 0.000) 0.000 12.341 ( 0.000 0.000 0.000) 0.000 12.400 ( 0.000 0.000 0.000) 0.000 12.648 ( 0.000 0.000 0.000) 0.000 12.739 ( 0.000 0.000 0.000) 0.000 12.762 ( 0.000 0.000 0.000) 0.000 12.904 ( 0.000 0.000 0.000) 0.000 13.355 ( 0.000 0.000 0.000) 0.000 13.458 ( 0.000 0.000 0.000) 0.000 13.841 ( 0.000 0.000 0.000) 0.000 14.076 ( 0.000 0.000 0.000) 0.000 14.184 ( 0.000 0.000 0.000) 0.000 14.261 ( 0.000 0.000 0.000) 0.000 14.314 ( 0.000 0.000 0.000) 0.000 14.572 ( 0.000 0.000 0.000) 0.000 14.595 ( 0.000 0.000 0.000) 0.000 15.436 ( 0.000 0.000 0.000) 0.000 15.693 ( 0.000 0.000 0.000) 0.000 16.321 ( 0.000 0.000 0.000) 0.000 16.339 ( 0.000 0.000 0.000) 0.000 16.803 ( 0.000 0.000 0.000) 0.000 16.927 ( 0.000 0.000 0.000) 0.000 16.956 ( 0.000 0.000 0.000) 0.000 17.289 ( 0.000 0.000 0.000) 0.000 17.523 ( 0.000 0.000 0.000) 0.000 18.065 ( 0.000 0.000 0.000) 0.000 18.415 ( 0.000 0.000 0.000) 0.000 18.648 ( 0.000 0.000 0.000) 0.000 19.334 ( 0.000 0.000 0.000) 0.000 19.828 ( 0.000 0.000 0.000) 0.000 19.947 ( 0.000 0.000 0.000) 0.000 20.190 ( 0.000 0.000 0.000) 0.000 21.221 ( 0.000 0.000 0.000) 0.000 21.359 ( 0.000 0.000 0.000) 0.000 21.900 ( 0.000 0.000 0.000) 0.000 21.969 ( 0.000 0.000 0.000) 0.000 22.735 ( 0.000 0.000 0.000) 0.000 22.847 ( 0.000 0.000 0.000) 0.000 22.939 ( 0.000 0.000 0.000) 0.000 23.491 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/70) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( 18.153 0.000 6.883) 19.414 0.522 ( 22.406 0.000 12.080) 25.455 0.683 ( 21.648 0.000 26.395) 34.137 1.350 ( 3.233 0.000 6.263) 7.048 1.359 ( -2.615 0.000 -5.129) 5.757 1.611 ( 7.311 0.000 -14.435) 16.181 2.101 ( -5.657 0.000 9.331) 10.912 2.110 ( 1.305 0.000 2.114) 2.484 2.232 ( -2.052 0.000 -3.252) 3.845 2.359 ( -3.851 0.000 -0.947) 3.966 2.376 ( -6.684 0.000 1.205) 6.792 2.537 ( 1.524 0.000 -1.476) 2.122 2.545 ( -1.777 0.000 0.562) 1.864 2.632 ( 3.868 0.000 -2.207) 4.454 2.654 ( -7.401 0.000 3.973) 8.400 2.771 ( 0.560 0.000 1.542) 1.641 2.828 ( 10.382 0.000 -13.834) 17.296 2.846 ( -2.070 0.000 -2.792) 3.476 3.055 ( 0.362 0.000 -3.949) 3.965 3.096 ( -4.115 0.000 2.882) 5.024 3.157 ( -3.204 0.000 2.424) 4.018 3.263 ( -4.288 0.000 4.950) 6.549 3.269 ( 1.125 0.000 -3.855) 4.016 3.370 ( -0.368 0.000 -0.521) 0.638 3.388 ( 3.173 0.000 0.665) 3.242 3.441 ( -0.091 0.000 -2.874) 2.875 3.452 ( 6.609 0.000 -2.833) 7.190 3.494 ( 2.079 0.000 1.499) 2.564 3.600 ( 2.877 0.000 -0.305) 2.893 3.617 ( -1.012 0.000 -1.087) 1.486 3.710 ( -2.461 0.000 2.521) 3.523 3.767 ( -3.741 0.000 6.967) 7.908 3.793 ( -7.010 0.000 7.264) 10.095 3.905 ( 2.069 0.000 -0.445) 2.116 4.052 ( 0.343 0.000 1.574) 1.611 4.083 ( 2.765 0.000 0.257) 2.777 4.096 ( -2.816 0.000 9.311) 9.728 4.134 ( -6.061 0.000 -6.860) 9.154 4.138 ( -5.113 0.000 -0.478) 5.136 4.232 ( -5.531 0.000 4.764) 7.300 4.243 ( -0.722 0.000 -0.184) 0.745 4.295 ( 1.444 0.000 -6.298) 6.461 4.310 ( -0.128 0.000 -2.605) 2.608 4.407 ( 0.492 0.000 -1.089) 1.195 4.426 ( -0.692 0.000 -3.343) 3.414 4.454 ( 3.114 0.000 2.928) 4.274 4.481 ( 0.668 0.000 -1.042) 1.238 4.553 ( -1.744 0.000 1.901) 2.579 4.625 ( 0.078 0.000 -2.436) 2.437 4.712 ( 0.604 0.000 -2.868) 2.931 4.749 ( 1.979 0.000 -1.140) 2.284 4.767 ( -0.005 0.000 1.527) 1.527 4.811 ( 2.327 0.000 0.227) 2.338 4.827 ( -0.226 0.000 -0.229) 0.322 5.085 ( -2.894 0.000 0.265) 2.906 5.244 ( -2.742 0.000 1.351) 3.057 5.270 ( 1.627 0.000 0.822) 1.823 5.346 ( 1.584 0.000 -0.615) 1.699 5.444 ( 1.405 0.000 -1.176) 1.832 5.446 ( -7.158 0.000 4.417) 8.411 5.583 ( 2.328 0.000 -2.603) 3.492 5.610 ( -0.457 0.000 -1.327) 1.404 5.742 ( -1.018 0.000 -0.092) 1.022 5.776 ( 2.622 0.000 -0.551) 2.679 5.808 ( 5.151 0.000 -5.388) 7.454 5.969 ( 0.304 0.000 -0.624) 0.694 6.014 ( -0.294 0.000 -4.207) 4.217 6.157 ( -0.179 0.000 4.247) 4.250 6.218 ( 4.021 0.000 -7.817) 8.791 6.219 ( 3.396 0.000 -2.454) 4.190 6.314 ( -3.507 0.000 3.385) 4.875 6.373 ( 1.093 0.000 -0.886) 1.407 6.499 ( -2.193 0.000 3.302) 3.964 6.824 ( -2.764 0.000 4.813) 5.550 6.886 ( -1.747 0.000 5.127) 5.417 6.936 ( 4.899 0.000 -5.668) 7.492 6.940 ( 0.185 0.000 -0.151) 0.239 7.209 ( 0.039 0.000 0.652) 0.653 7.333 ( 0.356 0.000 -0.387) 0.526 7.534 ( -1.752 0.000 1.660) 2.413 7.552 ( 0.403 0.000 -2.652) 2.683 7.587 ( -0.097 0.000 -0.958) 0.962 7.596 ( 3.057 0.000 -4.108) 5.121 7.702 ( -1.305 0.000 0.687) 1.475 8.440 ( 0.117 0.000 0.866) 0.874 8.507 ( -0.302 0.000 -1.504) 1.534 8.517 ( 0.475 0.000 0.009) 0.476 9.117 ( 0.300 0.000 0.166) 0.343 9.518 ( 5.012 0.000 -7.824) 9.292 9.528 ( 0.479 0.000 -0.818) 0.948 9.590 ( -0.841 0.000 0.890) 1.225 9.666 ( -2.350 0.000 3.082) 3.875 9.890 ( 0.724 0.000 0.610) 0.946 9.910 ( -0.904 0.000 1.352) 1.626 9.953 ( 1.550 0.000 -0.783) 1.736 9.981 ( 2.695 0.000 -2.242) 3.505 10.441 ( -8.835 0.000 16.021) 18.296 10.819 ( 0.169 0.000 -0.386) 0.421 10.830 ( -0.563 0.000 -2.076) 2.151 10.977 ( -2.497 0.000 2.895) 3.823 11.285 ( 9.090 0.000 -11.908) 14.981 11.800 ( -0.448 0.000 -1.049) 1.140 11.820 ( 5.028 0.000 -0.370) 5.041 12.022 ( -2.065 0.000 3.686) 4.225 12.168 ( 2.184 0.000 -1.304) 2.544 12.376 ( 1.576 0.000 3.465) 3.807 12.399 ( -0.264 0.000 -1.010) 1.044 12.653 ( 0.523 0.000 0.031) 0.524 12.742 ( 0.248 0.000 0.226) 0.336 12.751 ( 0.041 0.000 -1.492) 1.493 13.145 ( -5.446 0.000 8.971) 10.495 13.429 ( -3.442 0.000 -0.513) 3.480 13.484 ( 5.977 0.000 -4.547) 7.510 13.780 ( -2.219 0.000 -6.793) 7.146 14.073 ( -0.139 0.000 -0.231) 0.269 14.172 ( -0.332 0.000 -0.631) 0.713 14.255 ( -2.693 0.000 1.728) 3.200 14.551 ( -1.723 0.000 -4.146) 4.490 14.566 ( -0.613 0.000 -0.117) 0.624 14.980 ( -11.821 0.000 16.504) 20.300 15.689 ( 1.648 0.000 -2.642) 3.113 16.041 ( -17.633 0.000 24.493) 30.180 16.294 ( -4.274 0.000 -0.892) 4.366 16.354 ( 1.880 0.000 2.459) 3.095 16.812 ( 0.941 0.000 0.178) 0.957 16.922 ( 0.633 0.000 -1.669) 1.785 16.965 ( -8.817 0.000 10.809) 13.949 17.295 ( 1.662 0.000 -2.023) 2.618 17.990 ( 39.009 0.000 -60.674) 72.132 18.022 ( -6.021 0.000 3.405) 6.917 18.415 ( -0.004 0.000 0.019) 0.019 18.673 ( -1.303 0.000 4.977) 5.144 19.373 ( 3.717 0.000 1.197) 3.905 19.826 ( 6.951 0.000 -4.009) 8.025 20.172 ( -3.305 0.000 0.507) 3.344 20.212 ( 13.351 0.000 16.661) 21.350 21.382 ( 4.708 0.000 -1.805) 5.042 21.530 ( 9.931 0.000 -10.076) 14.147 21.909 ( -0.291 0.000 1.617) 1.643 21.935 ( -3.268 0.000 -1.133) 3.459 22.818 ( -1.977 0.000 -1.763) 2.649 22.969 ( 2.806 0.000 1.004) 2.980 23.397 ( -9.703 0.000 -2.680) 10.066 23.420 ( -20.724 0.000 27.908) 34.761 ======================= Grid point 2 (3/70) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 12.556 0.000 4.744) 13.423 0.973 ( 17.116 0.000 7.921) 18.860 1.215 ( -10.368 0.000 4.272) 11.213 1.248 ( 15.064 0.000 17.244) 22.897 1.532 ( 12.863 0.000 -2.725) 13.148 1.628 ( 14.438 0.000 -13.100) 19.495 1.996 ( -17.108 0.000 8.713) 19.199 2.151 ( -3.567 0.000 1.446) 3.849 2.165 ( -1.251 0.000 -4.037) 4.227 2.240 ( -4.618 0.000 -0.282) 4.626 2.281 ( -5.823 0.000 -1.909) 6.128 2.513 ( -4.035 0.000 2.018) 4.512 2.539 ( 2.343 0.000 0.207) 2.352 2.584 ( -2.463 0.000 0.089) 2.465 2.690 ( 3.341 0.000 -0.835) 3.444 2.774 ( -1.681 0.000 3.764) 4.123 2.841 ( 8.211 0.000 -12.264) 14.759 2.860 ( 2.702 0.000 0.510) 2.750 2.956 ( -3.531 0.000 -2.809) 4.512 3.121 ( -1.659 0.000 2.499) 2.999 3.166 ( -1.447 0.000 7.081) 7.228 3.227 ( 3.418 0.000 -8.168) 8.855 3.278 ( -1.859 0.000 4.571) 4.934 3.337 ( -2.031 0.000 -1.826) 2.731 3.391 ( -0.926 0.000 -2.681) 2.837 3.402 ( -0.505 0.000 -1.670) 1.745 3.452 ( 1.069 0.000 -6.157) 6.250 3.559 ( 1.661 0.000 1.829) 2.471 3.567 ( -3.771 0.000 -0.105) 3.773 3.653 ( 2.241 0.000 1.164) 2.525 3.674 ( -4.633 0.000 1.002) 4.740 3.765 ( -2.895 0.000 2.959) 4.139 3.808 ( -3.258 0.000 10.940) 11.415 3.937 ( 1.979 0.000 -0.310) 2.003 4.022 ( 3.480 0.000 -5.725) 6.700 4.029 ( -4.591 0.000 -3.980) 6.076 4.085 ( 0.258 0.000 1.939) 1.956 4.120 ( 0.401 0.000 1.592) 1.641 4.147 ( 0.182 0.000 -2.393) 2.400 4.181 ( -7.097 0.000 4.520) 8.414 4.237 ( 0.696 0.000 2.889) 2.971 4.260 ( 2.621 0.000 -5.014) 5.658 4.282 ( 0.150 0.000 1.044) 1.055 4.366 ( -3.971 0.000 -0.799) 4.051 4.392 ( -0.733 0.000 -1.918) 2.053 4.469 ( -1.030 0.000 2.247) 2.472 4.480 ( -5.165 0.000 -2.646) 5.803 4.522 ( 1.521 0.000 0.608) 1.638 4.623 ( 1.701 0.000 -1.462) 2.243 4.682 ( -0.765 0.000 -1.289) 1.499 4.784 ( 2.089 0.000 -0.067) 2.090 4.786 ( 0.208 0.000 1.994) 2.005 4.822 ( 0.046 0.000 -0.678) 0.680 4.888 ( 6.019 0.000 0.428) 6.034 5.070 ( -0.759 0.000 1.661) 1.826 5.234 ( -0.706 0.000 1.515) 1.671 5.302 ( 1.476 0.000 0.380) 1.524 5.356 ( 1.312 0.000 -1.289) 1.839 5.399 ( -3.064 0.000 1.590) 3.452 5.457 ( 1.232 0.000 -0.396) 1.294 5.565 ( 0.411 0.000 -3.263) 3.289 5.583 ( -0.136 0.000 -2.692) 2.695 5.700 ( -3.335 0.000 0.293) 3.348 5.814 ( 2.407 0.000 -1.051) 2.626 5.833 ( 3.337 0.000 -3.292) 4.687 5.950 ( -2.558 0.000 -1.705) 3.074 5.959 ( -2.353 0.000 1.848) 2.992 6.196 ( 4.144 0.000 -7.976) 8.988 6.213 ( -0.011 0.000 4.761) 4.761 6.249 ( 3.487 0.000 -2.585) 4.341 6.291 ( -3.126 0.000 2.916) 4.275 6.396 ( 3.130 0.000 -1.129) 3.328 6.495 ( -3.555 0.000 4.186) 5.491 6.843 ( -1.405 0.000 3.865) 4.112 6.915 ( -3.026 0.000 7.068) 7.689 6.946 ( 0.410 0.000 0.356) 0.543 6.948 ( 5.710 0.000 -8.006) 9.833 7.221 ( 0.542 0.000 0.525) 0.755 7.340 ( 0.687 0.000 -0.022) 0.687 7.514 ( -1.760 0.000 0.526) 1.837 7.528 ( 1.576 0.000 -4.138) 4.428 7.562 ( -1.791 0.000 -0.313) 1.818 7.606 ( 1.059 0.000 -0.533) 1.186 7.687 ( -1.320 0.000 0.667) 1.479 8.454 ( 0.121 0.000 0.940) 0.948 8.483 ( -0.695 0.000 -0.897) 1.135 8.527 ( 0.605 0.000 0.020) 0.606 9.124 ( 0.246 0.000 0.120) 0.274 9.523 ( 3.540 0.000 -3.755) 5.161 9.532 ( 1.557 0.000 -1.190) 1.959 9.578 ( -2.118 0.000 1.383) 2.529 9.643 ( -3.988 0.000 2.679) 4.804 9.922 ( 0.254 0.000 2.918) 2.929 9.923 ( 0.334 0.000 1.420) 1.459 9.965 ( 0.839 0.000 -0.675) 1.077 9.997 ( 2.243 0.000 -2.282) 3.200 10.484 ( -1.552 0.000 6.332) 6.519 10.789 ( -0.819 0.000 -2.700) 2.822 10.818 ( 0.383 0.000 -0.475) 0.610 10.962 ( -3.162 0.000 3.018) 4.371 11.303 ( 3.271 0.000 -3.252) 4.612 11.779 ( -0.462 0.000 -1.063) 1.159 11.905 ( 5.704 0.000 -1.684) 5.947 12.019 ( -3.595 0.000 4.222) 5.545 12.222 ( 3.981 0.000 1.226) 4.166 12.381 ( -0.921 0.000 -0.239) 0.952 12.451 ( 1.629 0.000 4.217) 4.521 12.662 ( 0.359 0.000 0.160) 0.393 12.739 ( 0.446 0.000 -1.164) 1.246 12.754 ( 0.493 0.000 0.816) 0.953 13.153 ( -1.733 0.000 2.943) 3.415 13.328 ( -6.148 0.000 -2.612) 6.680 13.536 ( 2.913 0.000 -0.062) 2.913 13.659 ( -1.208 0.000 -7.492) 7.589 14.068 ( -0.145 0.000 -0.235) 0.276 14.168 ( 0.010 0.000 0.158) 0.159 14.200 ( -3.754 0.000 -1.164) 3.930 14.485 ( -0.505 0.000 -3.218) 3.258 14.553 ( -0.630 0.000 -0.136) 0.645 14.970 ( -4.076 0.000 5.132) 6.554 15.696 ( 2.383 0.000 -2.075) 3.160 16.026 ( -6.224 0.000 8.238) 10.325 16.206 ( -4.360 0.000 -0.873) 4.447 16.416 ( 1.788 0.000 2.285) 2.901 16.832 ( 0.960 0.000 0.199) 0.980 16.913 ( 1.282 0.000 -2.604) 2.902 16.938 ( -4.634 0.000 4.460) 6.431 17.289 ( 0.511 0.000 -1.959) 2.024 17.950 ( 11.666 0.000 -20.399) 23.499 17.982 ( -3.153 0.000 3.174) 4.474 18.414 ( -0.054 0.000 0.015) 0.056 18.697 ( -1.299 0.000 3.206) 3.459 19.463 ( 4.296 0.000 1.802) 4.659 19.947 ( 6.671 0.000 2.629) 7.170 20.110 ( -2.659 0.000 -2.059) 3.363 20.599 ( 8.247 0.000 14.724) 16.877 21.509 ( 12.304 0.000 0.467) 12.313 21.605 ( 8.175 0.000 -3.148) 8.760 21.843 ( -6.038 0.000 -1.273) 6.171 21.905 ( -2.769 0.000 0.350) 2.791 22.766 ( -1.931 0.000 0.257) 1.948 23.038 ( 3.689 0.000 0.708) 3.756 23.133 ( -13.582 0.000 -7.855) 15.690 23.383 ( -9.105 0.000 9.787) 13.367 ======================= Grid point 3 (4/70) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 0.000 0.000 0.000) 0.000 1.114 ( 0.000 0.000 0.000) 0.000 1.220 ( 0.000 0.000 0.000) 0.000 1.477 ( 0.000 0.000 0.000) 0.000 1.643 ( 0.000 0.000 0.000) 0.000 1.736 ( 0.000 0.000 0.000) 0.000 1.857 ( 0.000 0.000 -0.000) 0.000 2.043 ( 0.000 0.000 0.000) 0.000 2.115 ( 0.000 0.000 0.000) 0.000 2.205 ( -0.000 0.000 0.000) 0.000 2.260 ( 0.000 0.000 -0.000) 0.000 2.479 ( 0.000 0.000 -0.000) 0.000 2.570 ( -0.000 0.000 0.000) 0.000 2.579 ( 0.000 0.000 0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 2.795 ( 0.000 0.000 0.000) 0.000 2.832 ( -0.000 0.000 0.000) 0.000 2.894 ( 0.000 0.000 0.000) 0.000 2.910 ( 0.000 0.000 -0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.188 ( 0.000 0.000 -0.000) 0.000 3.244 ( -0.000 0.000 0.000) 0.000 3.266 ( 0.000 0.000 0.000) 0.000 3.281 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 -0.000) 0.000 3.374 ( 0.000 0.000 -0.000) 0.000 3.433 ( -0.000 0.000 -0.000) 0.000 3.526 ( 0.000 0.000 -0.000) 0.000 3.603 ( -2.232 0.000 -1.831) 2.887 3.603 ( 2.232 0.000 1.831) 2.886 3.681 ( 0.000 0.000 0.000) 0.000 3.762 ( 0.000 0.000 0.000) 0.000 3.886 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 -0.000) 0.000 3.953 ( 0.000 0.000 -0.000) 0.000 4.073 ( 0.000 0.000 0.000) 0.000 4.096 ( 0.000 0.000 0.000) 0.000 4.109 ( -0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 -0.000) 0.000 4.133 ( 0.000 0.000 -0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 4.307 ( -0.000 0.000 0.000) 0.000 4.327 ( 0.000 0.000 0.000) 0.000 4.380 ( -0.000 0.000 -0.000) 0.000 4.383 ( 0.000 0.000 0.000) 0.000 4.487 ( 0.000 0.000 0.000) 0.000 4.526 ( 0.000 0.000 -0.000) 0.000 4.632 ( 0.000 0.000 0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 4.801 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 0.000) 0.000 4.810 ( -0.000 0.000 -0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 5.076 ( 0.000 0.000 -0.000) 0.000 5.240 ( 0.000 0.000 0.000) 0.000 5.320 ( 0.000 0.000 0.000) 0.000 5.363 ( 0.000 0.000 0.000) 0.000 5.379 ( 0.000 0.000 0.000) 0.000 5.468 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 -0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 5.828 ( 0.000 0.000 0.000) 0.000 5.844 ( -0.000 0.000 0.000) 0.000 5.905 ( 0.000 0.000 0.000) 0.000 5.954 ( 0.000 0.000 0.000) 0.000 6.184 ( 0.000 0.000 0.000) 0.000 6.241 ( 0.000 0.000 -0.000) 0.000 6.265 ( -0.000 0.000 0.000) 0.000 6.282 ( 0.000 0.000 0.000) 0.000 6.430 ( -0.000 0.000 0.000) 0.000 6.480 ( 0.000 0.000 0.000) 0.000 6.854 ( 0.000 0.000 0.000) 0.000 6.938 ( 0.000 0.000 -0.000) 0.000 6.943 ( -0.000 0.000 0.000) 0.000 6.954 ( 0.000 0.000 0.000) 0.000 7.230 ( 0.000 0.000 0.000) 0.000 7.347 ( 0.000 0.000 0.000) 0.000 7.501 ( 0.000 0.000 -0.000) 0.000 7.518 ( -0.000 0.000 0.000) 0.000 7.540 ( 0.000 0.000 -0.000) 0.000 7.612 ( 0.000 0.000 0.000) 0.000 7.679 ( 0.000 0.000 0.000) 0.000 8.460 ( 0.000 0.000 -0.000) 0.000 8.471 ( 0.000 0.000 0.000) 0.000 8.532 ( 0.000 0.000 0.000) 0.000 9.126 ( 0.000 0.000 0.000) 0.000 9.537 ( -0.000 0.000 0.000) 0.000 9.548 ( -0.000 0.000 0.000) 0.000 9.558 ( 0.000 0.000 -0.000) 0.000 9.618 ( 0.000 0.000 -0.000) 0.000 9.937 ( 0.000 0.000 0.000) 0.000 9.943 ( 0.000 0.000 0.000) 0.000 9.967 ( 0.000 0.000 -0.000) 0.000 10.002 ( 0.000 0.000 0.000) 0.000 10.512 ( 0.000 0.000 0.000) 0.000 10.762 ( 0.000 0.000 0.000) 0.000 10.819 ( 0.000 0.000 0.000) 0.000 10.951 ( 0.000 0.000 0.000) 0.000 11.313 ( 0.000 0.000 0.000) 0.000 11.768 ( 0.000 0.000 0.000) 0.000 11.946 ( 0.000 0.000 0.000) 0.000 12.010 ( -0.000 0.000 0.000) 0.000 12.276 ( 0.000 0.000 0.000) 0.000 12.371 ( 0.000 0.000 0.000) 0.000 12.494 ( 0.000 0.000 0.000) 0.000 12.666 ( 0.000 0.000 0.000) 0.000 12.737 ( 0.000 0.000 0.000) 0.000 12.767 ( 0.000 0.000 0.000) 0.000 13.155 ( 0.000 0.000 0.000) 0.000 13.241 ( 0.000 0.000 0.000) 0.000 13.562 ( 0.000 0.000 0.000) 0.000 13.604 ( 0.000 0.000 0.000) 0.000 14.065 ( 0.000 0.000 0.000) 0.000 14.153 ( 0.000 0.000 0.000) 0.000 14.170 ( 0.000 0.000 0.000) 0.000 14.464 ( 0.000 0.000 0.000) 0.000 14.546 ( 0.000 0.000 0.000) 0.000 14.964 ( 0.000 0.000 0.000) 0.000 15.708 ( 0.000 0.000 0.000) 0.000 16.021 ( 0.000 0.000 0.000) 0.000 16.160 ( 0.000 0.000 0.000) 0.000 16.446 ( 0.000 0.000 0.000) 0.000 16.842 ( 0.000 0.000 0.000) 0.000 16.909 ( 0.000 0.000 0.000) 0.000 16.923 ( 0.000 0.000 -0.000) 0.000 17.280 ( 0.000 0.000 0.000) 0.000 17.930 ( 0.000 0.000 0.000) 0.000 17.977 ( 0.000 0.000 0.000) 0.000 18.414 ( 0.000 0.000 0.000) 0.000 18.704 ( 0.000 0.000 0.000) 0.000 19.517 ( 0.000 0.000 0.000) 0.000 20.030 ( 0.000 0.000 0.000) 0.000 20.069 ( 0.000 0.000 0.000) 0.000 20.747 ( 0.000 0.000 0.000) 0.000 21.708 ( -0.000 0.000 0.000) 0.000 21.715 ( 0.000 0.000 0.000) 0.000 21.726 ( 0.000 0.000 0.000) 0.000 21.820 ( 0.000 0.000 0.000) 0.000 22.793 ( 0.000 0.000 0.000) 0.000 22.901 ( 0.000 0.000 0.000) 0.000 23.078 ( 0.000 0.000 0.000) 0.000 23.358 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/70) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 0.000 24.860 0.000) 24.860 0.606 ( 0.000 29.200 0.000) 29.200 1.057 ( 0.000 49.231 0.000) 49.231 1.355 ( 0.000 8.262 0.000) 8.262 1.485 ( 0.000 6.313 0.000) 6.313 1.829 ( 0.000 15.096 0.000) 15.096 2.095 ( 0.000 0.466 0.000) 0.466 2.108 ( 0.000 2.447 0.000) 2.447 2.238 ( 0.000 -1.391 0.000) 1.391 2.300 ( 0.000 -5.780 0.000) 5.780 2.473 ( 0.000 1.730 0.000) 1.730 2.536 ( 0.000 2.131 0.000) 2.131 2.591 ( 0.000 -0.274 0.000) 0.274 2.634 ( 0.000 3.152 0.000) 3.152 2.720 ( 0.000 1.622 0.000) 1.622 2.787 ( 0.000 2.519 0.000) 2.519 2.816 ( 0.000 0.460 0.000) 0.460 2.950 ( 0.000 2.282 0.000) 2.282 3.069 ( 0.000 -1.811 0.000) 1.811 3.090 ( 0.000 2.995 0.000) 2.995 3.167 ( 0.000 -5.692 0.000) 5.692 3.212 ( 0.000 -1.913 0.000) 1.913 3.233 ( 0.000 -5.307 0.000) 5.307 3.371 ( 0.000 4.666 0.000) 4.666 3.413 ( 0.000 3.394 0.000) 3.394 3.434 ( 0.000 1.367 0.000) 1.367 3.531 ( 0.000 3.611 0.000) 3.611 3.548 ( 0.000 -1.932 0.000) 1.932 3.550 ( 0.000 4.509 0.000) 4.509 3.643 ( 0.000 -5.245 0.000) 5.245 3.687 ( 0.000 -1.241 0.000) 1.241 3.734 ( 0.000 0.846 0.000) 0.846 3.749 ( 0.000 2.110 0.000) 2.110 3.871 ( 0.000 -2.068 0.000) 2.068 4.002 ( 0.000 -3.131 0.000) 3.131 4.053 ( 0.000 -0.910 0.000) 0.910 4.068 ( 0.000 -1.834 0.000) 1.834 4.171 ( 0.000 -1.517 0.000) 1.517 4.177 ( 0.000 -4.594 0.000) 4.594 4.214 ( 0.000 -3.206 0.000) 3.206 4.237 ( 0.000 -0.015 0.000) 0.015 4.266 ( 0.000 -0.866 0.000) 0.866 4.313 ( 0.000 0.997 0.000) 0.997 4.347 ( 0.000 0.807 0.000) 0.807 4.409 ( 0.000 0.817 0.000) 0.817 4.446 ( 0.000 2.773 0.000) 2.773 4.462 ( 0.000 -0.738 0.000) 0.738 4.566 ( 0.000 1.001 0.000) 1.001 4.617 ( 0.000 1.129 0.000) 1.129 4.700 ( 0.000 -0.120 0.000) 0.120 4.755 ( 0.000 -0.640 0.000) 0.640 4.759 ( 0.000 0.226 0.000) 0.226 4.772 ( 0.000 -2.156 0.000) 2.156 4.821 ( 0.000 1.843 0.000) 1.843 4.876 ( 0.000 2.722 0.000) 2.722 5.225 ( 0.000 1.582 0.000) 1.582 5.259 ( 0.000 -7.016 0.000) 7.016 5.394 ( 0.000 -3.723 0.000) 3.723 5.432 ( 0.000 5.297 0.000) 5.297 5.505 ( 0.000 -3.230 0.000) 3.230 5.615 ( 0.000 -3.738 0.000) 3.738 5.629 ( 0.000 1.454 0.000) 1.454 5.707 ( 0.000 2.684 0.000) 2.684 5.719 ( 0.000 4.018 0.000) 4.018 5.877 ( 0.000 -7.091 0.000) 7.091 5.963 ( 0.000 -4.342 0.000) 4.342 5.986 ( 0.000 1.386 0.000) 1.386 6.113 ( 0.000 -3.147 0.000) 3.147 6.234 ( 0.000 -3.150 0.000) 3.150 6.300 ( 0.000 6.563 0.000) 6.563 6.396 ( 0.000 7.806 0.000) 7.806 6.481 ( 0.000 -1.595 0.000) 1.595 6.511 ( 0.000 7.717 0.000) 7.717 6.831 ( 0.000 -2.976 0.000) 2.976 6.857 ( 0.000 1.987 0.000) 1.987 6.913 ( 0.000 -2.104 0.000) 2.104 7.024 ( 0.000 6.957 0.000) 6.957 7.210 ( 0.000 0.498 0.000) 0.498 7.366 ( 0.000 5.120 0.000) 5.120 7.372 ( 0.000 0.631 0.000) 0.631 7.512 ( 0.000 -4.358 0.000) 4.358 7.567 ( 0.000 0.567 0.000) 0.567 7.714 ( 0.000 11.816 0.000) 11.816 7.973 ( 0.000 9.808 0.000) 9.808 8.485 ( 0.000 5.970 0.000) 5.970 8.658 ( 0.000 7.342 0.000) 7.342 8.673 ( 0.000 12.118 0.000) 12.118 9.248 ( 0.000 11.136 0.000) 11.136 9.503 ( 0.000 2.254 0.000) 2.254 9.625 ( 0.000 7.183 0.000) 7.183 9.636 ( 0.000 -1.636 0.000) 1.636 9.872 ( 0.000 -0.030 0.000) 0.030 9.903 ( 0.000 -0.111 0.000) 0.111 9.986 ( 0.000 4.073 0.000) 4.073 10.016 ( 0.000 4.976 0.000) 4.976 10.288 ( 0.000 7.577 0.000) 7.577 10.339 ( 0.000 1.636 0.000) 1.636 10.864 ( 0.000 1.742 0.000) 1.742 10.931 ( 0.000 -4.251 0.000) 4.251 11.104 ( 0.000 2.392 0.000) 2.392 11.217 ( 0.000 2.656 0.000) 2.656 11.770 ( 0.000 -0.836 0.000) 0.836 11.816 ( 0.000 0.556 0.000) 0.556 11.984 ( 0.000 -2.941 0.000) 2.941 12.273 ( 0.000 -4.338 0.000) 4.338 12.405 ( 0.000 -1.229 0.000) 1.229 12.549 ( 0.000 -6.649 0.000) 6.649 12.713 ( 0.000 -4.207 0.000) 4.207 12.735 ( 0.000 -0.275 0.000) 0.275 12.816 ( 0.000 4.304 0.000) 4.304 12.968 ( 0.000 5.438 0.000) 5.438 13.340 ( 0.000 -1.406 0.000) 1.406 13.675 ( 0.000 -9.434 0.000) 9.434 13.798 ( 0.000 -3.628 0.000) 3.628 14.101 ( 0.000 -1.850 0.000) 1.850 14.144 ( 0.000 -2.116 0.000) 2.116 14.397 ( 0.000 6.401 0.000) 6.401 14.439 ( 0.000 9.539 0.000) 9.539 14.541 ( 0.000 0.962 0.000) 0.962 14.814 ( 0.000 8.099 0.000) 8.099 15.508 ( 0.000 6.874 0.000) 6.874 16.068 ( 0.000 -3.302 0.000) 3.302 16.264 ( 0.000 -5.228 0.000) 5.228 16.380 ( 0.000 5.073 0.000) 5.073 16.843 ( 0.000 3.223 0.000) 3.223 16.935 ( 0.000 0.811 0.000) 0.811 17.108 ( 0.000 11.640 0.000) 11.640 17.563 ( 0.000 4.744 0.000) 4.744 18.091 ( 0.000 2.849 0.000) 2.849 18.321 ( 0.000 -8.451 0.000) 8.451 18.628 ( 0.000 -1.816 0.000) 1.816 19.104 ( 0.000 -0.887 0.000) 0.887 19.376 ( 0.000 3.626 0.000) 3.626 19.894 ( 0.000 -5.096 0.000) 5.096 20.127 ( 0.000 -6.043 0.000) 6.043 20.132 ( 0.000 -0.181 0.000) 0.181 21.215 ( 0.000 -0.593 0.000) 0.593 21.343 ( 0.000 -1.545 0.000) 1.545 21.890 ( 0.000 -1.184 0.000) 1.184 21.959 ( 0.000 -0.909 0.000) 0.909 22.729 ( 0.000 -0.490 0.000) 0.490 22.816 ( 0.000 -3.670 0.000) 3.670 22.895 ( 0.000 -4.120 0.000) 4.120 23.402 ( 0.000 -8.113 0.000) 8.113 ======================= Grid point 8 (6/70) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 5.845 21.510 6.174) 23.129 0.715 ( 7.965 19.296 14.074) 25.176 1.250 ( 12.505 34.967 5.448) 37.533 1.394 ( -1.362 5.978 5.677) 8.356 1.452 ( 2.817 10.964 -4.996) 12.374 1.788 ( 5.303 13.431 -11.890) 18.705 2.099 ( -4.849 -0.989 3.877) 6.287 2.131 ( -0.831 1.734 4.465) 4.861 2.210 ( -3.018 -1.237 -0.886) 3.380 2.278 ( -2.471 -1.453 4.239) 5.117 2.470 ( -0.872 3.105 -0.750) 3.311 2.553 ( 1.866 1.452 -0.781) 2.490 2.583 ( -0.759 0.655 0.032) 1.003 2.604 ( -1.536 1.389 -0.300) 2.092 2.691 ( -4.442 1.939 0.601) 4.884 2.790 ( -2.750 1.449 2.522) 4.003 2.849 ( 4.989 3.031 -7.212) 9.279 2.874 ( 2.743 2.879 -5.248) 6.585 3.040 ( -1.566 -4.493 -4.000) 6.216 3.101 ( -0.490 1.655 -0.474) 1.790 3.143 ( -1.485 0.341 5.227) 5.444 3.188 ( 1.082 -2.071 -1.315) 2.681 3.294 ( 1.866 -1.169 -1.214) 2.514 3.373 ( -0.563 1.412 0.914) 1.773 3.390 ( -1.133 0.863 -0.019) 1.425 3.502 ( -1.963 3.532 -1.897) 4.464 3.521 ( 4.065 3.045 0.987) 5.174 3.537 ( -0.155 3.065 1.844) 3.581 3.581 ( 3.508 -1.495 -2.250) 4.428 3.606 ( -1.088 -2.885 1.104) 3.275 3.684 ( -3.840 -0.915 4.155) 5.731 3.746 ( -0.457 0.009 2.160) 2.208 3.783 ( -2.079 0.512 4.430) 4.920 3.874 ( 1.223 -3.144 -0.804) 3.468 4.012 ( 0.806 -2.948 -1.737) 3.515 4.030 ( -3.853 -3.530 1.517) 5.441 4.081 ( 1.004 -1.411 1.163) 2.086 4.122 ( -1.427 -0.419 1.385) 2.032 4.168 ( -3.771 0.182 -2.668) 4.623 4.188 ( -3.941 -2.296 3.537) 5.772 4.246 ( 1.484 -1.232 -0.724) 2.060 4.291 ( 2.240 -1.569 -5.086) 5.775 4.297 ( 1.190 -1.229 -0.988) 1.976 4.394 ( 0.099 -1.828 0.933) 2.055 4.407 ( -0.905 -0.201 2.277) 2.459 4.435 ( -1.731 1.051 -1.464) 2.499 4.467 ( 2.101 0.396 -0.606) 2.222 4.577 ( 2.727 -2.111 -0.188) 3.453 4.610 ( -0.262 1.523 0.651) 1.677 4.674 ( -0.105 -0.619 -3.379) 3.437 4.751 ( -0.319 -0.056 0.088) 0.336 4.764 ( -0.537 0.058 0.762) 0.935 4.798 ( -0.106 -2.569 2.254) 3.419 4.819 ( -0.489 0.074 -0.331) 0.595 4.908 ( 1.456 0.086 1.715) 2.251 5.221 ( 0.304 -3.108 0.619) 3.184 5.270 ( 1.350 -4.630 -1.417) 5.027 5.387 ( -1.623 -2.210 0.948) 2.902 5.428 ( 0.038 4.718 -0.643) 4.761 5.480 ( -2.806 -0.298 1.433) 3.165 5.607 ( -0.357 -0.992 1.080) 1.510 5.631 ( 3.107 1.540 -5.061) 6.135 5.720 ( -1.601 0.685 2.336) 2.913 5.731 ( 1.980 1.542 0.239) 2.521 5.828 ( -0.607 -3.279 -5.029) 6.034 5.943 ( 0.847 -3.237 -4.231) 5.394 5.980 ( -3.464 0.040 3.481) 4.911 6.108 ( 0.555 -4.466 -1.918) 4.892 6.235 ( 0.568 -0.823 0.572) 1.152 6.308 ( 1.228 6.456 -0.489) 6.590 6.395 ( -0.815 8.012 1.462) 8.185 6.457 ( 1.847 0.771 -5.585) 5.933 6.504 ( -3.653 5.173 3.793) 7.382 6.829 ( -3.199 -1.482 5.895) 6.869 6.879 ( 2.488 -0.865 -2.092) 3.363 6.922 ( 1.525 -0.915 -0.400) 1.822 7.024 ( 0.027 6.506 -0.010) 6.506 7.224 ( 1.052 1.001 0.460) 1.523 7.364 ( -0.180 4.579 -0.086) 4.583 7.440 ( 3.733 -3.534 1.606) 5.385 7.511 ( 2.187 -3.561 -2.270) 4.756 7.569 ( 0.222 1.671 -0.070) 1.687 7.702 ( -1.057 11.796 -0.458) 11.852 7.923 ( -4.085 12.342 -0.824) 13.027 8.481 ( -1.382 5.671 1.168) 5.953 8.648 ( 2.378 10.202 -3.843) 11.158 8.677 ( -1.379 10.820 1.850) 11.063 9.250 ( 0.452 10.978 -0.353) 10.993 9.501 ( -0.354 2.669 0.077) 2.693 9.599 ( -0.912 2.522 -0.563) 2.741 9.659 ( -1.173 3.001 3.238) 4.568 9.852 ( -2.449 4.611 -4.896) 7.158 9.883 ( -0.580 1.247 -0.194) 1.389 9.981 ( 1.098 5.868 -2.129) 6.338 9.991 ( 0.012 4.326 0.845) 4.408 10.119 ( 0.851 11.274 -10.471) 15.410 10.448 ( -4.002 1.798 13.452) 14.149 10.846 ( -0.602 1.551 -1.908) 2.532 10.922 ( -2.746 -4.497 2.179) 5.702 10.991 ( -5.891 9.363 0.592) 11.078 11.300 ( 7.540 1.310 -5.056) 9.172 11.790 ( -0.403 -0.279 -1.230) 1.324 11.815 ( 4.323 -0.469 -0.644) 4.396 11.994 ( -0.606 -2.906 2.256) 3.729 12.291 ( 0.298 -4.435 1.655) 4.743 12.364 ( -6.350 5.724 -3.373) 9.191 12.418 ( 0.104 -0.215 -2.799) 2.809 12.660 ( -0.639 1.707 -1.695) 2.489 12.717 ( 0.065 -2.011 -1.028) 2.260 12.741 ( 0.126 0.015 0.252) 0.282 13.159 ( 1.260 1.611 8.509) 8.751 13.378 ( 0.575 -2.748 1.038) 2.993 13.509 ( -3.217 -1.271 -8.010) 8.725 13.769 ( -0.889 -1.446 -4.733) 5.028 14.066 ( 0.152 -2.591 -2.298) 3.466 14.185 ( 1.328 -0.333 -1.713) 2.193 14.314 ( -1.698 5.291 1.633) 5.791 14.506 ( -3.349 3.964 1.058) 5.296 14.695 ( 2.302 3.818 2.493) 5.108 14.867 ( -0.729 -1.990 13.138) 13.308 15.595 ( 5.730 2.009 3.571) 7.044 16.028 ( -4.226 -2.086 0.617) 4.753 16.232 ( -2.927 -4.342 -0.840) 5.304 16.406 ( 1.908 4.453 1.286) 5.012 16.856 ( 1.099 3.203 0.446) 3.416 16.930 ( -0.220 0.906 -0.548) 1.081 17.087 ( -1.448 11.243 -1.089) 11.388 17.535 ( -6.535 9.340 5.759) 12.771 18.021 ( -10.362 3.182 3.745) 11.468 18.310 ( -2.324 -8.046 0.950) 8.429 18.504 ( -4.181 23.383 -42.672) 48.838 18.687 ( -0.533 3.213 1.824) 3.733 19.376 ( 2.844 0.744 -1.360) 3.239 19.891 ( 2.876 4.605 -7.169) 8.993 20.102 ( -0.371 -6.803 2.358) 7.210 20.136 ( 8.077 -6.823 13.139) 16.864 21.358 ( 5.382 -2.450 -1.295) 6.054 21.453 ( 12.036 -5.184 -3.917) 13.678 21.887 ( -1.548 -1.727 1.146) 2.587 21.926 ( -2.654 -0.688 -0.489) 2.785 22.782 ( -1.702 -3.349 -1.373) 4.000 22.918 ( 2.309 -4.911 1.419) 5.609 23.075 ( 1.368 -17.372 24.188) 29.812 23.314 ( -8.363 -7.417 -3.102) 11.601 ======================= Grid point 9 (7/70) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 9.299 11.775 5.535) 15.992 1.060 ( 12.847 8.724 13.413) 20.520 1.294 ( -7.007 9.598 3.135) 12.290 1.466 ( 6.466 9.706 -2.741) 11.980 1.562 ( 5.349 12.574 0.163) 13.665 1.781 ( 6.366 9.714 -6.939) 13.529 2.003 ( -9.507 0.998 5.415) 10.986 2.147 ( -0.903 0.932 -1.775) 2.199 2.208 ( 1.818 2.173 4.781) 5.558 2.279 ( -0.533 3.958 -1.874) 4.412 2.398 ( -6.171 7.838 -1.704) 10.121 2.528 ( -5.674 1.119 5.127) 7.729 2.568 ( 0.774 3.981 -1.969) 4.508 2.613 ( 2.990 1.259 -1.327) 3.505 2.670 ( 2.847 -3.080 -0.554) 4.230 2.744 ( -5.649 0.253 3.347) 6.571 2.856 ( 3.292 1.956 -1.940) 4.293 2.918 ( 7.135 6.342 -6.451) 11.522 2.967 ( -1.166 -0.455 -3.054) 3.301 3.147 ( 2.831 2.486 -0.084) 3.768 3.164 ( -4.078 -0.735 6.496) 7.705 3.182 ( 1.661 0.504 -1.265) 2.148 3.288 ( 1.217 -1.197 -3.518) 3.910 3.326 ( -2.934 -0.617 -1.621) 3.409 3.387 ( -2.014 3.047 -0.432) 3.678 3.442 ( -1.732 3.627 -0.863) 4.111 3.514 ( 0.474 0.007 -1.296) 1.380 3.574 ( -0.969 -3.212 -0.669) 3.421 3.595 ( -0.953 4.272 -2.392) 4.988 3.628 ( 1.408 1.864 1.844) 2.976 3.667 ( -4.451 -0.921 6.664) 8.066 3.772 ( -2.506 0.759 2.508) 3.626 3.781 ( -0.619 -1.918 5.339) 5.707 3.877 ( -0.500 -5.835 -0.375) 5.868 3.977 ( 0.366 -2.512 -3.261) 4.132 4.007 ( 1.770 -3.687 -6.031) 7.287 4.064 ( 0.670 -0.441 -1.269) 1.501 4.119 ( -0.622 -0.503 1.666) 1.848 4.142 ( -4.313 -4.046 4.216) 7.262 4.184 ( 0.273 2.241 -0.769) 2.385 4.246 ( -0.617 1.171 0.173) 1.335 4.260 ( 1.084 -0.257 -1.708) 2.039 4.294 ( 1.891 0.134 -1.710) 2.553 4.366 ( -3.676 -0.462 -0.153) 3.708 4.390 ( -0.150 0.991 0.789) 1.276 4.433 ( -0.823 -1.826 3.603) 4.123 4.496 ( 1.377 -2.979 -1.926) 3.805 4.573 ( -5.718 4.839 -1.633) 7.667 4.616 ( 1.092 -2.657 -1.031) 3.052 4.637 ( 0.935 -0.904 -0.154) 1.310 4.760 ( -0.948 -0.920 1.170) 1.765 4.787 ( 3.853 -1.936 0.990) 4.424 4.803 ( -0.078 -1.549 -0.317) 1.583 4.825 ( 0.932 -3.496 1.102) 3.782 4.939 ( 0.473 -1.101 0.830) 1.457 5.225 ( 0.288 -10.382 -2.156) 10.607 5.284 ( 1.622 -0.744 0.456) 1.842 5.374 ( -1.625 1.167 2.014) 2.839 5.422 ( 0.042 3.589 -0.606) 3.640 5.469 ( -0.283 0.996 0.363) 1.097 5.602 ( -0.403 3.085 -0.391) 3.136 5.639 ( 4.157 -1.071 -5.152) 6.706 5.695 ( -4.567 1.346 3.090) 5.676 5.760 ( 1.228 -1.071 -1.936) 2.530 5.792 ( 1.724 -2.074 -1.781) 3.232 5.908 ( 0.058 -2.014 -2.853) 3.492 5.950 ( -3.634 -0.669 2.368) 4.389 6.089 ( 0.122 -6.012 -2.138) 6.382 6.276 ( 1.814 0.355 2.412) 3.039 6.325 ( 0.916 5.901 0.014) 5.972 6.397 ( -0.611 8.159 0.612) 8.204 6.433 ( 3.523 2.348 -5.816) 7.194 6.481 ( -4.757 1.549 4.603) 6.798 6.855 ( -2.661 -1.896 6.608) 7.372 6.886 ( 1.855 -1.037 -2.647) 3.395 6.946 ( 2.359 -0.276 -1.398) 2.756 7.022 ( -0.338 5.774 0.055) 5.785 7.248 ( 1.172 1.433 0.185) 1.861 7.355 ( -0.986 1.667 0.057) 1.938 7.479 ( 3.342 -1.574 -2.626) 4.532 7.536 ( -0.951 -2.624 1.988) 3.426 7.581 ( 2.357 3.287 -0.944) 4.154 7.674 ( -1.351 11.951 -0.596) 12.042 7.855 ( -3.358 12.990 0.179) 13.418 8.468 ( -1.367 5.170 0.863) 5.417 8.653 ( 3.457 10.972 -4.125) 12.221 8.671 ( -2.465 11.210 3.000) 11.864 9.253 ( 0.380 10.467 -0.430) 10.482 9.496 ( -0.311 2.685 0.167) 2.708 9.588 ( -0.313 0.273 -0.005) 0.415 9.668 ( -1.408 6.300 2.807) 7.039 9.755 ( -1.005 9.877 -4.540) 10.917 9.897 ( 0.377 0.108 1.067) 1.137 10.004 ( 0.842 3.510 0.850) 3.708 10.007 ( 1.096 5.175 0.829) 5.354 10.061 ( 0.869 6.442 -4.340) 7.816 10.521 ( -0.816 3.257 6.701) 7.495 10.810 ( -0.491 1.783 -2.451) 3.070 10.891 ( -3.092 -5.309 1.559) 6.339 10.942 ( -1.797 8.997 0.627) 9.196 11.345 ( 3.245 3.033 -2.231) 4.971 11.763 ( -0.740 -0.679 -0.946) 1.380 11.899 ( 6.341 -1.201 -1.847) 6.713 11.998 ( -3.171 -2.300 3.522) 5.268 12.290 ( 0.104 2.991 1.439) 3.321 12.324 ( 0.112 -3.359 0.185) 3.366 12.430 ( 0.867 -2.412 1.345) 2.895 12.649 ( -0.015 -0.686 -0.268) 0.737 12.714 ( 0.857 -1.515 -0.981) 1.998 12.749 ( 0.115 -0.331 0.830) 0.901 13.221 ( -0.769 4.657 3.151) 5.675 13.291 ( -5.255 -2.177 -3.713) 6.792 13.477 ( 1.248 -4.130 -1.755) 4.658 13.711 ( 1.204 3.433 -4.145) 5.514 14.045 ( -0.236 -3.129 -1.491) 3.474 14.185 ( 0.891 0.637 -0.859) 1.392 14.303 ( -2.112 7.504 0.935) 7.851 14.450 ( -2.893 2.700 -0.493) 3.987 14.690 ( 0.161 8.069 -2.010) 8.317 14.964 ( -1.862 -0.476 7.195) 7.448 15.711 ( 5.192 2.234 0.364) 5.664 15.968 ( -5.128 -3.650 2.607) 6.813 16.170 ( -2.548 -1.956 -1.012) 3.368 16.456 ( 1.679 3.473 1.541) 4.154 16.881 ( 1.141 3.443 0.386) 3.648 16.918 ( -0.358 0.978 -0.593) 1.198 17.050 ( -1.440 10.262 -0.797) 10.394 17.496 ( -4.806 15.900 4.058) 17.099 17.882 ( -3.823 0.393 -4.215) 5.704 18.202 ( 1.743 13.602 -11.708) 18.031 18.291 ( 0.177 -9.576 -3.122) 10.074 18.726 ( -0.456 1.386 3.295) 3.603 19.435 ( 4.197 -2.226 0.262) 4.758 19.946 ( 4.444 -0.304 1.768) 4.792 20.048 ( -2.665 -5.827 -1.747) 6.641 20.471 ( 7.808 -11.784 12.739) 19.029 21.487 ( 11.220 -2.216 0.461) 11.446 21.576 ( 8.905 -2.810 -2.881) 9.773 21.821 ( -6.090 -1.670 -0.484) 6.333 21.891 ( -3.018 -0.970 0.253) 3.180 22.740 ( -1.456 -2.484 0.382) 2.904 22.979 ( 2.927 -5.474 0.790) 6.258 23.078 ( -11.325 -4.866 -7.279) 14.315 23.224 ( -3.820 -12.400 9.945) 16.348 ======================= Grid point 10 (8/70) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 0.000 9.058 0.000) 9.058 1.248 ( 0.000 12.636 0.000) 12.636 1.348 ( 0.000 -4.201 0.000) 4.201 1.430 ( -0.000 16.752 -0.000) 16.752 1.576 ( -0.000 -0.960 0.000) 0.960 1.806 ( 0.000 6.628 0.000) 6.628 1.947 ( 0.000 2.697 0.000) 2.697 2.140 ( 0.000 2.717 0.000) 2.717 2.253 ( 0.000 4.682 0.000) 4.682 2.282 ( 0.000 1.139 -0.000) 1.139 2.304 ( 0.000 15.169 0.000) 15.169 2.502 ( 0.000 2.111 0.000) 2.111 2.570 ( 0.000 3.693 0.000) 3.693 2.662 ( -0.000 2.688 0.000) 2.688 2.690 ( 0.000 -0.956 0.000) 0.956 2.707 ( 0.000 -3.987 0.000) 3.987 2.881 ( 0.000 3.432 0.000) 3.432 2.935 ( -0.000 0.340 0.000) 0.340 2.945 ( 0.000 8.581 -0.000) 8.581 3.155 ( -0.000 -2.122 0.000) 2.122 3.159 ( 0.000 4.551 -0.000) 4.551 3.227 ( -0.000 -0.189 -0.000) 0.189 3.246 ( 0.000 -2.512 0.000) 2.512 3.307 ( 0.000 -0.747 0.000) 0.747 3.339 ( 0.000 5.859 0.000) 5.859 3.423 ( 0.000 2.411 -0.000) 2.411 3.515 ( 0.000 0.359 0.000) 0.359 3.553 ( -0.000 -5.379 0.000) 5.379 3.559 ( 0.000 7.167 -0.000) 7.167 3.657 ( -0.000 2.325 -0.000) 2.325 3.663 ( 0.000 -0.089 0.000) 0.089 3.768 ( 0.000 0.390 0.000) 0.390 3.837 ( 0.000 -5.011 0.000) 5.011 3.864 ( 0.000 -5.372 0.000) 5.372 3.903 ( 0.000 -2.989 -0.000) 2.989 4.041 ( 0.000 -3.812 0.000) 3.812 4.077 ( 0.000 -0.034 0.000) 0.034 4.095 ( -0.000 -0.265 0.000) 0.265 4.131 ( -0.000 -2.444 0.000) 2.444 4.160 ( 0.000 1.202 0.000) 1.202 4.247 ( 0.000 0.289 0.000) 0.289 4.288 ( 0.000 1.516 0.000) 1.516 4.297 ( -0.000 -1.796 -0.000) 1.796 4.333 ( 0.000 0.010 0.000) 0.010 4.420 ( 0.000 4.129 0.000) 4.129 4.454 ( 0.000 2.740 0.000) 2.740 4.477 ( -0.000 0.655 0.000) 0.655 4.478 ( 0.000 -4.976 -0.000) 4.976 4.614 ( 0.000 -3.047 0.000) 3.047 4.656 ( 0.000 1.105 0.000) 1.105 4.758 ( 0.000 -1.209 0.000) 1.209 4.799 ( 0.000 -1.231 0.000) 1.231 4.838 ( 0.000 -2.319 -0.000) 2.319 4.848 ( 0.000 -6.051 0.000) 6.051 4.942 ( 0.000 -1.253 0.000) 1.253 5.209 ( 0.000 -12.132 0.000) 12.132 5.307 ( 0.000 -0.304 0.000) 0.304 5.374 ( 0.000 2.101 -0.000) 2.101 5.418 ( 0.000 3.278 0.000) 3.278 5.467 ( 0.000 0.090 0.000) 0.090 5.596 ( 0.000 4.242 0.000) 4.242 5.653 ( -0.000 -3.880 0.000) 3.880 5.657 ( 0.000 5.616 -0.000) 5.616 5.758 ( 0.000 -2.541 0.000) 2.541 5.802 ( -0.000 -1.805 0.000) 1.805 5.889 ( 0.000 0.176 0.000) 0.176 5.932 ( 0.000 -2.004 0.000) 2.004 6.076 ( 0.000 -6.438 0.000) 6.438 6.314 ( 0.000 0.291 0.000) 0.291 6.330 ( 0.000 5.651 0.000) 5.651 6.392 ( 0.000 9.398 0.000) 9.398 6.443 ( 0.000 0.259 -0.000) 0.259 6.457 ( -0.000 1.327 0.000) 1.327 6.875 ( -0.000 -5.230 0.000) 5.230 6.883 ( 0.000 2.164 -0.000) 2.164 6.961 ( 0.000 -0.239 0.000) 0.239 7.017 ( 0.000 5.425 0.000) 5.425 7.260 ( 0.000 1.536 -0.000) 1.536 7.343 ( 0.000 -0.527 0.000) 0.527 7.506 ( -0.000 1.296 0.000) 1.296 7.524 ( 0.000 -1.207 -0.000) 1.207 7.601 ( 0.000 2.558 0.000) 2.558 7.657 ( 0.000 12.125 0.000) 12.125 7.826 ( 0.000 12.737 0.000) 12.737 8.461 ( 0.000 4.980 0.000) 4.980 8.662 ( 0.000 10.803 -0.000) 10.803 8.666 ( -0.000 11.570 0.000) 11.570 9.254 ( 0.000 10.180 0.000) 10.180 9.494 ( 0.000 2.340 0.000) 2.340 9.585 ( 0.000 -0.799 0.000) 0.799 9.679 ( 0.000 8.656 0.000) 8.656 9.717 ( 0.000 9.253 0.000) 9.253 9.906 ( 0.000 -0.091 0.000) 0.091 10.018 ( -0.000 4.301 0.000) 4.301 10.025 ( 0.000 4.620 -0.000) 4.620 10.041 ( 0.000 4.598 0.000) 4.598 10.556 ( 0.000 3.643 0.000) 3.643 10.790 ( 0.000 2.695 0.000) 2.695 10.871 ( 0.000 -6.798 0.000) 6.798 10.932 ( 0.000 9.016 0.000) 9.016 11.359 ( 0.000 3.467 0.000) 3.467 11.751 ( 0.000 -0.928 0.000) 0.928 11.958 ( 0.000 0.162 0.000) 0.162 11.975 ( -0.000 -3.288 0.000) 3.288 12.314 ( 0.000 1.697 -0.000) 1.697 12.324 ( 0.000 -3.736 0.000) 3.736 12.449 ( 0.000 -3.748 0.000) 3.748 12.647 ( 0.000 -1.176 0.000) 1.176 12.717 ( 0.000 -1.048 0.000) 1.048 12.757 ( 0.000 -0.753 0.000) 0.753 13.215 ( 0.000 -1.481 0.000) 1.481 13.226 ( 0.000 5.158 0.000) 5.158 13.472 ( 0.000 -4.865 0.000) 4.865 13.707 ( 0.000 5.861 0.000) 5.861 14.032 ( 0.000 -3.199 0.000) 3.199 14.190 ( 0.000 0.830 0.000) 0.830 14.283 ( 0.000 9.983 0.000) 9.983 14.423 ( 0.000 0.900 0.000) 0.900 14.680 ( 0.000 8.246 0.000) 8.246 14.986 ( 0.000 1.631 0.000) 1.631 15.762 ( 0.000 4.574 0.000) 4.574 15.932 ( 0.000 -6.238 0.000) 6.238 16.143 ( 0.000 -0.499 0.000) 0.499 16.480 ( 0.000 2.990 0.000) 2.990 16.896 ( 0.000 4.101 0.000) 4.101 16.909 ( 0.000 0.479 0.000) 0.479 17.032 ( 0.000 9.858 0.000) 9.858 17.476 ( 0.000 18.051 0.000) 18.051 17.830 ( 0.000 -3.141 0.000) 3.141 18.161 ( 0.000 11.310 -0.000) 11.310 18.274 ( 0.000 -11.412 0.000) 11.412 18.740 ( 0.000 1.683 0.000) 1.683 19.479 ( 0.000 -3.126 0.000) 3.126 20.006 ( -0.000 -6.080 -0.000) 6.080 20.007 ( 0.000 -2.071 0.000) 2.071 20.608 ( 0.000 -12.897 0.000) 12.897 21.643 ( 0.000 -5.590 0.000) 5.590 21.684 ( -0.000 -3.985 0.000) 3.985 21.719 ( 0.000 0.469 0.000) 0.469 21.826 ( 0.000 0.664 0.000) 0.664 22.764 ( 0.000 -2.773 0.000) 2.773 22.880 ( 0.000 -1.882 0.000) 1.882 23.015 ( 0.000 -5.827 0.000) 5.827 23.240 ( 0.000 -9.969 0.000) 9.969 ======================= Grid point 14 (9/70) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 0.000 23.315 0.000) 23.315 1.189 ( 0.000 27.181 0.000) 27.181 1.590 ( 0.000 14.282 0.000) 14.282 1.674 ( 0.000 11.176 0.000) 11.176 1.973 ( 0.000 37.641 0.000) 37.641 2.082 ( 0.000 3.902 0.000) 3.902 2.109 ( 0.000 3.019 0.000) 3.019 2.126 ( 0.000 0.068 0.000) 0.068 2.211 ( 0.000 -2.323 0.000) 2.323 2.305 ( 0.000 9.513 0.000) 9.513 2.496 ( 0.000 0.866 0.000) 0.866 2.593 ( 0.000 3.270 0.000) 3.270 2.594 ( 0.000 0.949 0.000) 0.949 2.697 ( 0.000 -2.420 0.000) 2.420 2.705 ( 0.000 3.440 0.000) 3.440 2.850 ( 0.000 2.045 0.000) 2.045 2.855 ( 0.000 3.019 0.000) 3.019 2.998 ( 0.000 -6.011 0.000) 6.011 3.005 ( 0.000 2.302 0.000) 2.302 3.089 ( 0.000 0.081 0.000) 0.081 3.122 ( 0.000 1.646 0.000) 1.646 3.173 ( 0.000 -1.473 0.000) 1.473 3.194 ( 0.000 -2.341 0.000) 2.341 3.429 ( 0.000 -4.453 0.000) 4.453 3.434 ( 0.000 -2.315 0.000) 2.315 3.452 ( 0.000 0.350 0.000) 0.350 3.500 ( 0.000 -0.577 0.000) 0.577 3.505 ( 0.000 -3.726 0.000) 3.726 3.542 ( 0.000 0.850 0.000) 0.850 3.615 ( 0.000 4.092 0.000) 4.092 3.720 ( 0.000 0.255 0.000) 0.255 3.764 ( 0.000 -2.484 0.000) 2.484 3.823 ( 0.000 -0.906 0.000) 0.906 3.860 ( 0.000 9.165 0.000) 9.165 3.946 ( 0.000 -2.248 0.000) 2.248 3.988 ( 0.000 -4.606 0.000) 4.606 4.043 ( 0.000 -0.045 0.000) 0.045 4.084 ( 0.000 -3.540 0.000) 3.540 4.137 ( 0.000 -2.769 0.000) 2.769 4.158 ( 0.000 -2.093 0.000) 2.093 4.209 ( 0.000 -3.061 0.000) 3.061 4.255 ( 0.000 0.874 0.000) 0.874 4.316 ( 0.000 -4.308 0.000) 4.308 4.351 ( 0.000 2.869 0.000) 2.869 4.395 ( 0.000 -3.495 0.000) 3.495 4.437 ( 0.000 1.671 0.000) 1.671 4.501 ( 0.000 2.013 0.000) 2.013 4.571 ( 0.000 -2.697 0.000) 2.697 4.672 ( 0.000 1.609 0.000) 1.609 4.699 ( 0.000 -4.423 0.000) 4.423 4.715 ( 0.000 1.221 0.000) 1.221 4.738 ( 0.000 -1.635 0.000) 1.635 4.804 ( 0.000 7.540 0.000) 7.540 4.867 ( 0.000 2.849 0.000) 2.849 4.921 ( 0.000 1.126 0.000) 1.126 5.085 ( 0.000 -7.809 0.000) 7.809 5.237 ( 0.000 -11.382 0.000) 11.382 5.335 ( 0.000 7.715 0.000) 7.715 5.426 ( 0.000 -3.920 0.000) 3.920 5.519 ( 0.000 -4.218 0.000) 4.218 5.525 ( 0.000 3.500 0.000) 3.500 5.666 ( 0.000 1.677 0.000) 1.677 5.733 ( 0.000 -2.363 0.000) 2.363 5.755 ( 0.000 0.574 0.000) 0.574 5.838 ( 0.000 2.617 0.000) 2.617 5.947 ( 0.000 2.549 0.000) 2.549 6.026 ( 0.000 -4.353 0.000) 4.353 6.026 ( 0.000 3.008 0.000) 3.008 6.200 ( 0.000 -0.816 0.000) 0.816 6.390 ( 0.000 -2.276 0.000) 2.276 6.451 ( 0.000 5.979 0.000) 5.979 6.616 ( 0.000 9.373 0.000) 9.373 6.630 ( 0.000 2.196 0.000) 2.196 6.729 ( 0.000 -4.950 0.000) 4.950 6.880 ( 0.000 -0.033 0.000) 0.033 6.886 ( 0.000 -0.470 0.000) 0.470 7.107 ( 0.000 1.231 0.000) 1.231 7.202 ( 0.000 -1.797 0.000) 1.797 7.359 ( 0.000 -0.869 0.000) 0.869 7.403 ( 0.000 -4.363 0.000) 4.363 7.633 ( 0.000 18.356 0.000) 18.356 7.704 ( 0.000 11.890 0.000) 11.890 8.005 ( 0.000 15.221 0.000) 15.221 8.225 ( 0.000 13.894 0.000) 13.894 8.653 ( 0.000 9.476 0.000) 9.476 8.854 ( 0.000 10.654 0.000) 10.654 8.904 ( 0.000 9.652 0.000) 9.652 9.474 ( 0.000 9.151 0.000) 9.151 9.619 ( 0.000 7.927 0.000) 7.927 9.628 ( 0.000 1.459 0.000) 1.459 9.802 ( 0.000 9.042 0.000) 9.042 9.879 ( 0.000 1.460 0.000) 1.460 9.937 ( 0.000 2.650 0.000) 2.650 10.079 ( 0.000 4.704 0.000) 4.704 10.153 ( 0.000 8.077 0.000) 8.077 10.376 ( 0.000 1.732 0.000) 1.732 10.409 ( 0.000 3.051 0.000) 3.051 10.816 ( 0.000 -6.981 0.000) 6.981 10.925 ( 0.000 4.454 0.000) 4.454 11.165 ( 0.000 3.224 0.000) 3.224 11.275 ( 0.000 2.935 0.000) 2.935 11.738 ( 0.000 -2.279 0.000) 2.279 11.837 ( 0.000 1.562 0.000) 1.562 11.904 ( 0.000 -4.443 0.000) 4.443 12.199 ( 0.000 -2.570 0.000) 2.570 12.347 ( 0.000 -3.946 0.000) 3.946 12.416 ( 0.000 -5.834 0.000) 5.834 12.603 ( 0.000 -5.975 0.000) 5.975 12.733 ( 0.000 0.102 0.000) 0.102 12.897 ( 0.000 3.559 0.000) 3.559 13.089 ( 0.000 5.622 0.000) 5.622 13.302 ( 0.000 -2.145 0.000) 2.145 13.498 ( 0.000 -7.546 0.000) 7.546 13.714 ( 0.000 -4.147 0.000) 4.147 14.014 ( 0.000 -5.356 0.000) 5.356 14.105 ( 0.000 -1.876 0.000) 1.876 14.442 ( 0.000 0.044 0.000) 0.044 14.645 ( 0.000 9.374 0.000) 9.374 14.656 ( 0.000 6.261 0.000) 6.261 15.008 ( 0.000 9.778 0.000) 9.778 15.711 ( 0.000 12.750 0.000) 12.750 16.028 ( 0.000 0.769 0.000) 0.769 16.197 ( 0.000 -0.128 0.000) 0.128 16.514 ( 0.000 7.903 0.000) 7.903 16.892 ( 0.000 0.645 0.000) 0.645 16.957 ( 0.000 1.051 0.000) 1.051 17.274 ( 0.000 2.158 0.000) 2.158 17.785 ( 0.000 17.325 0.000) 17.325 18.108 ( 0.000 -11.348 0.000) 11.348 18.206 ( 0.000 8.917 0.000) 8.917 18.573 ( 0.000 -3.562 0.000) 3.562 19.079 ( 0.000 -1.376 0.000) 1.376 19.458 ( 0.000 3.813 0.000) 3.813 19.746 ( 0.000 -9.082 0.000) 9.082 19.950 ( 0.000 -10.901 0.000) 10.901 20.125 ( 0.000 -0.556 0.000) 0.556 21.197 ( 0.000 -1.094 0.000) 1.094 21.301 ( 0.000 -2.373 0.000) 2.373 21.865 ( 0.000 -0.982 0.000) 0.982 21.940 ( 0.000 -0.712 0.000) 0.712 22.715 ( 0.000 -5.814 0.000) 5.814 22.719 ( 0.000 -0.452 0.000) 0.452 22.781 ( 0.000 -6.532 0.000) 6.532 23.197 ( 0.000 -10.792 0.000) 10.792 ======================= Grid point 15 (10/70) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 3.654 21.256 4.793) 22.094 1.196 ( -1.130 25.302 5.509) 25.920 1.600 ( -0.376 13.090 1.530) 13.184 1.631 ( -2.560 12.939 -1.577) 13.284 2.003 ( 0.640 7.150 -9.104) 11.594 2.018 ( 1.019 25.677 -0.899) 25.712 2.075 ( -3.370 1.177 1.723) 3.964 2.164 ( 0.655 1.935 2.101) 2.930 2.203 ( -0.032 0.863 0.573) 1.037 2.353 ( 1.817 7.832 3.815) 8.899 2.501 ( -0.411 0.899 -0.278) 1.027 2.571 ( -0.132 1.208 1.059) 1.612 2.612 ( -3.103 1.852 1.861) 4.065 2.639 ( 3.703 1.563 -4.978) 6.398 2.732 ( -2.609 3.118 0.526) 4.100 2.829 ( -3.697 1.668 1.813) 4.443 2.910 ( -0.249 -3.517 -4.331) 5.585 2.944 ( 6.125 3.663 -0.646) 7.166 2.969 ( -1.742 4.300 -0.797) 4.707 3.105 ( -0.375 -0.329 4.071) 4.101 3.152 ( -2.140 -1.401 5.686) 6.235 3.214 ( 5.164 1.446 -3.525) 6.417 3.232 ( 5.505 -2.122 -1.366) 6.056 3.406 ( -4.862 0.582 1.879) 5.245 3.422 ( -0.321 -1.286 0.107) 1.330 3.488 ( 1.986 -6.957 3.191) 7.908 3.512 ( -0.234 -0.360 2.226) 2.267 3.526 ( 0.003 -1.959 1.311) 2.357 3.562 ( 2.590 3.128 -2.852) 4.962 3.601 ( 3.644 2.243 -3.333) 5.424 3.734 ( -2.493 -0.007 4.791) 5.400 3.748 ( 0.100 -0.682 -2.153) 2.261 3.789 ( -1.896 -2.205 -2.024) 3.543 3.858 ( -1.393 6.327 0.654) 6.511 3.942 ( 0.502 -3.516 -3.045) 4.679 3.985 ( -3.584 -0.902 2.411) 4.413 4.037 ( -1.313 -2.466 -0.493) 2.837 4.080 ( -0.385 -2.443 -0.706) 2.572 4.130 ( 0.134 -2.958 2.250) 3.719 4.169 ( 0.335 -1.123 1.037) 1.565 4.191 ( -0.119 -3.604 -2.542) 4.412 4.244 ( 2.283 -3.187 -2.270) 4.530 4.313 ( 0.909 2.843 -3.918) 4.926 4.362 ( -1.961 -2.837 3.082) 4.625 4.400 ( -1.010 0.322 2.403) 2.627 4.445 ( 0.736 -1.281 -0.858) 1.708 4.471 ( -0.507 0.693 -1.725) 1.927 4.544 ( -1.396 -0.710 -0.786) 1.752 4.612 ( -3.807 -1.333 0.870) 4.126 4.701 ( -1.888 -0.749 -1.321) 2.423 4.737 ( 0.629 -0.790 1.506) 1.813 4.743 ( -0.491 -1.333 1.146) 1.826 4.800 ( -2.077 4.703 1.916) 5.487 4.849 ( -0.866 3.364 -0.233) 3.481 4.943 ( 2.334 1.399 -0.769) 2.828 5.066 ( -0.529 -7.210 -2.354) 7.603 5.233 ( -0.428 -10.950 0.850) 10.992 5.331 ( -0.315 6.190 -0.140) 6.200 5.442 ( 0.537 -3.653 1.034) 3.834 5.518 ( 1.600 0.735 -2.341) 2.929 5.537 ( -0.882 -0.069 2.787) 2.924 5.667 ( 0.928 1.543 -1.476) 2.328 5.722 ( -0.520 -2.024 -0.755) 2.222 5.762 ( 1.594 1.067 -0.734) 2.054 5.824 ( -1.125 2.430 -0.708) 2.770 5.942 ( 1.063 2.858 -2.639) 4.032 6.004 ( -3.466 -2.840 1.443) 4.708 6.011 ( -1.017 1.192 -0.530) 1.654 6.206 ( -0.021 -1.453 1.232) 1.905 6.401 ( 0.870 -2.157 0.335) 2.350 6.452 ( -0.021 6.128 0.341) 6.137 6.590 ( -0.461 7.261 -1.489) 7.426 6.639 ( -0.803 6.573 -0.532) 6.644 6.724 ( -0.121 -6.631 0.842) 6.686 6.874 ( -1.557 -0.406 3.222) 3.602 6.915 ( 3.100 -0.304 -1.822) 3.609 7.101 ( -0.594 1.213 0.104) 1.354 7.211 ( 1.289 -2.285 -0.510) 2.672 7.362 ( -1.654 -3.271 0.524) 3.703 7.415 ( 2.228 -2.359 0.595) 3.299 7.642 ( 1.685 17.917 -0.600) 18.006 7.723 ( 1.876 12.208 0.149) 12.352 7.994 ( -0.997 15.330 -0.303) 15.365 8.203 ( -2.136 14.751 -0.300) 14.908 8.651 ( -0.621 9.953 0.387) 9.980 8.861 ( 0.367 10.170 0.555) 10.192 8.900 ( 0.524 9.841 -1.459) 9.963 9.467 ( -0.369 8.605 -0.575) 8.633 9.608 ( -1.405 4.584 0.957) 4.890 9.636 ( 0.036 5.493 0.460) 5.513 9.809 ( -1.417 8.503 3.363) 9.253 9.884 ( 0.657 1.951 -0.446) 2.107 9.944 ( 1.550 3.249 -1.280) 3.820 10.084 ( 0.277 4.736 0.224) 4.750 10.133 ( 0.131 8.009 -2.416) 8.367 10.290 ( 1.413 5.183 -10.202) 11.530 10.496 ( -1.499 1.713 10.865) 11.100 10.789 ( -2.844 -7.002 -0.310) 7.563 10.919 ( -1.075 4.305 0.129) 4.439 11.133 ( -2.611 5.073 0.673) 5.745 11.331 ( 5.058 1.666 -0.518) 5.350 11.765 ( 3.606 -2.379 -1.583) 4.601 11.823 ( -0.230 1.344 -1.135) 1.774 11.913 ( -0.734 -4.514 2.463) 5.194 12.214 ( 0.700 -2.617 1.269) 2.992 12.344 ( -1.081 -3.743 0.819) 3.981 12.376 ( -1.835 -3.709 -2.647) 4.912 12.598 ( 0.414 -5.379 -1.187) 5.524 12.732 ( -0.361 0.221 0.391) 0.576 12.814 ( -2.878 6.274 -2.616) 7.382 13.200 ( 3.363 1.999 5.644) 6.867 13.322 ( 0.272 -2.708 0.941) 2.880 13.443 ( -0.950 -4.275 -5.443) 6.986 13.718 ( 1.135 -3.219 -0.540) 3.456 13.984 ( 0.617 -4.413 -3.833) 5.877 14.134 ( 1.240 -3.752 0.334) 3.966 14.402 ( -1.525 2.582 -0.496) 3.040 14.638 ( -0.384 6.111 -1.477) 6.299 14.765 ( 2.028 4.685 10.519) 11.692 14.978 ( -2.802 8.635 -0.208) 9.081 15.754 ( 3.053 11.971 2.277) 12.562 16.003 ( -1.362 1.179 -2.162) 2.814 16.192 ( -0.056 1.428 -0.671) 1.579 16.525 ( 1.555 7.078 -0.582) 7.271 16.907 ( 1.206 0.811 0.519) 1.543 16.951 ( -0.227 0.786 -0.667) 1.056 17.271 ( 0.159 3.793 -0.830) 3.886 17.774 ( -0.681 15.548 0.279) 15.566 18.071 ( -7.871 -6.739 5.880) 11.913 18.179 ( -3.973 5.853 0.741) 7.113 18.608 ( 1.894 -2.228 0.312) 2.941 18.890 ( -9.142 7.821 -14.364) 18.736 19.412 ( -0.422 2.539 -4.409) 5.105 19.887 ( 9.572 -10.605 4.108) 14.865 19.924 ( -0.770 -9.267 -3.856) 10.067 20.007 ( -6.275 -0.879 3.552) 7.264 21.289 ( 6.725 -3.637 0.013) 7.646 21.370 ( 9.067 -3.180 -1.464) 9.719 21.855 ( -2.243 -1.189 0.739) 2.644 21.916 ( -2.010 -0.125 -0.262) 2.031 22.694 ( -1.128 -4.949 -0.969) 5.168 22.784 ( 1.213 -7.139 2.880) 7.793 22.855 ( 3.054 -6.420 9.288) 11.696 23.131 ( -5.710 -9.564 -3.133) 11.571 ======================= Grid point 16 (11/70) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 1.986 18.973 3.395) 19.376 1.320 ( 4.112 15.902 8.861) 18.662 1.578 ( -4.414 16.169 5.236) 17.559 1.618 ( 4.571 9.231 -6.495) 12.177 1.912 ( -7.764 13.388 0.275) 15.479 1.962 ( 3.588 6.188 -7.836) 10.610 2.026 ( -5.023 5.368 1.010) 7.420 2.198 ( 1.557 2.504 0.536) 2.997 2.256 ( 1.265 3.468 4.226) 5.611 2.384 ( -1.000 4.390 -1.152) 4.648 2.468 ( -1.627 -0.541 -0.161) 1.722 2.546 ( -4.416 -0.686 -0.984) 4.576 2.633 ( 3.191 1.467 -0.700) 3.581 2.662 ( 4.357 5.291 -1.566) 7.031 2.689 ( -0.287 5.275 -0.775) 5.339 2.777 ( -3.249 1.811 1.103) 3.879 2.888 ( 0.316 -3.058 0.079) 3.076 2.944 ( -0.244 5.098 1.328) 5.274 3.090 ( 6.747 7.148 2.164) 10.065 3.153 ( 2.307 -4.064 -0.839) 4.747 3.162 ( -2.733 -1.689 4.936) 5.889 3.250 ( 2.406 4.626 -2.941) 5.987 3.304 ( 0.890 3.037 4.271) 5.316 3.348 ( 0.077 3.230 -2.495) 4.083 3.438 ( 2.268 -1.137 -1.192) 2.803 3.495 ( -0.278 1.215 -3.491) 3.707 3.534 ( 2.000 4.712 -3.477) 6.188 3.556 ( -0.601 2.764 2.305) 3.649 3.571 ( 1.430 -4.895 5.518) 7.514 3.646 ( 0.462 -2.416 0.617) 2.536 3.703 ( -5.927 -1.640 2.886) 6.793 3.723 ( -2.144 -1.551 -0.917) 2.801 3.747 ( -3.127 0.819 2.405) 4.029 3.825 ( -0.300 1.730 -2.232) 2.840 3.924 ( -1.501 -2.542 -4.021) 4.988 3.930 ( 2.741 -2.533 -4.199) 5.618 4.012 ( -0.702 -5.198 -0.068) 5.246 4.048 ( -3.073 -2.916 0.764) 4.305 4.092 ( -0.913 -1.848 -0.108) 2.064 4.197 ( -0.023 -3.106 -0.514) 3.148 4.242 ( -0.495 -1.824 1.027) 2.151 4.244 ( 3.443 -2.412 -1.017) 4.325 4.286 ( 2.402 0.849 -2.814) 3.797 4.356 ( -1.585 -0.408 1.752) 2.398 4.418 ( -1.538 1.269 1.328) 2.396 4.431 ( -2.387 1.230 1.188) 2.937 4.445 ( 0.429 -0.463 -0.902) 1.101 4.525 ( 0.224 -4.116 0.357) 4.138 4.619 ( -2.580 -1.452 1.011) 3.129 4.627 ( -0.267 -0.215 0.522) 0.625 4.735 ( -1.674 -1.918 2.221) 3.378 4.756 ( -0.880 -1.372 -0.016) 1.630 4.790 ( -0.372 0.429 1.242) 1.366 4.833 ( -1.080 4.434 -0.045) 4.564 4.971 ( 2.260 0.531 -1.210) 2.618 5.018 ( -0.886 -5.958 -3.939) 7.197 5.248 ( 0.279 -10.619 1.558) 10.736 5.330 ( 0.490 4.464 0.028) 4.491 5.446 ( -0.987 -4.464 0.047) 4.572 5.510 ( 0.490 3.698 -2.188) 4.325 5.558 ( 0.187 -1.034 1.749) 2.040 5.665 ( 0.654 1.629 -0.950) 1.996 5.712 ( 0.462 -0.439 -0.587) 0.866 5.788 ( 1.778 1.437 -0.355) 2.314 5.796 ( -1.247 2.293 -0.059) 2.611 5.917 ( 0.520 1.461 -3.752) 4.060 5.957 ( -3.115 -3.584 0.633) 4.790 5.993 ( -1.331 3.031 0.575) 3.360 6.230 ( 0.541 -2.856 2.161) 3.622 6.416 ( 0.748 -2.134 -0.208) 2.271 6.458 ( 0.394 6.453 0.207) 6.468 6.566 ( -1.279 5.663 -0.879) 5.872 6.606 ( -0.714 8.296 -1.003) 8.387 6.742 ( 0.408 -6.413 0.906) 6.489 6.897 ( -1.196 -0.014 4.303) 4.466 6.938 ( 2.928 -0.593 -2.813) 4.103 7.092 ( -0.584 1.247 0.035) 1.378 7.228 ( 1.519 -2.795 -0.663) 3.249 7.321 ( -2.369 -3.825 -0.847) 4.578 7.466 ( 1.549 -1.819 1.571) 2.859 7.673 ( 2.427 16.787 -0.445) 16.967 7.756 ( 1.478 12.697 0.249) 12.785 7.972 ( -1.015 15.619 -0.360) 15.657 8.162 ( -2.257 16.172 -0.067) 16.329 8.642 ( -0.777 10.797 0.280) 10.828 8.875 ( -0.214 9.453 1.644) 9.597 8.892 ( 1.140 10.053 -2.371) 10.391 9.453 ( -0.562 7.782 -0.394) 7.812 9.603 ( -0.115 5.083 0.429) 5.102 9.633 ( -1.038 6.077 0.499) 6.185 9.829 ( -1.583 7.523 4.611) 8.965 9.881 ( 0.461 3.505 -1.810) 3.972 9.958 ( 1.839 4.962 -1.366) 5.465 10.092 ( 1.277 4.809 -0.930) 5.062 10.121 ( 0.173 5.438 -0.923) 5.518 10.220 ( 0.360 7.918 -4.245) 8.992 10.584 ( 0.334 1.897 6.148) 6.443 10.732 ( -2.787 -7.746 -0.581) 8.252 10.892 ( -1.846 4.545 -0.292) 4.915 11.112 ( -0.962 6.501 0.578) 6.597 11.396 ( 3.270 1.629 -0.645) 3.710 11.767 ( -0.760 0.873 -1.164) 1.642 11.853 ( 6.069 -2.836 -3.657) 7.632 11.926 ( -3.033 -4.535 4.898) 7.332 12.242 ( 0.177 -2.446 2.138) 3.253 12.312 ( -1.400 -1.509 -0.916) 2.254 12.354 ( 0.365 -4.523 -0.180) 4.541 12.593 ( 0.356 -4.516 -0.777) 4.596 12.734 ( 0.407 0.487 0.147) 0.652 12.773 ( -0.909 4.720 -0.305) 4.817 13.249 ( -1.643 -0.266 -1.995) 2.598 13.298 ( -0.793 0.434 1.734) 1.956 13.402 ( 0.222 -2.611 -2.840) 3.864 13.757 ( 3.521 0.278 0.417) 3.556 13.961 ( 0.340 -4.265 -2.023) 4.733 14.146 ( 1.182 -4.493 -1.002) 4.753 14.394 ( -0.519 2.634 0.967) 2.853 14.602 ( -2.495 7.670 -0.354) 8.074 14.854 ( 0.962 7.644 -0.499) 7.720 14.965 ( -1.831 1.121 6.396) 6.746 15.834 ( 3.458 10.251 1.209) 10.886 15.946 ( -2.524 2.634 -1.474) 3.935 16.186 ( 0.340 4.208 -0.620) 4.267 16.545 ( 1.369 5.273 -0.421) 5.464 16.930 ( 0.471 1.152 -0.238) 1.267 16.943 ( 0.518 0.401 0.022) 0.655 17.263 ( -0.029 7.239 -0.640) 7.268 17.795 ( 1.978 12.437 1.936) 12.741 17.993 ( -8.511 0.772 4.731) 9.768 18.095 ( -6.419 2.926 0.157) 7.056 18.506 ( -1.947 13.000 -13.526) 18.861 18.733 ( -0.752 0.143 1.117) 1.354 19.396 ( 2.952 -1.153 -2.575) 4.084 19.862 ( -2.790 -10.309 -1.031) 10.730 19.941 ( 0.477 -2.173 -0.014) 2.225 20.160 ( 5.763 -17.252 8.973) 20.282 21.415 ( 8.222 -4.559 0.502) 9.415 21.501 ( 8.661 -4.105 -2.139) 9.820 21.796 ( -5.011 -0.412 0.265) 5.035 21.882 ( -2.441 0.324 0.142) 2.466 22.670 ( -0.490 -4.108 0.344) 4.151 22.833 ( 1.746 -8.109 1.314) 8.398 22.956 ( -5.942 -6.736 -3.406) 9.607 22.990 ( -1.202 -8.989 4.691) 10.211 ======================= Grid point 17 (12/70) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 0.000 15.715 0.000) 15.715 1.423 ( 0.000 10.536 0.000) 10.536 1.587 ( 0.000 17.858 -0.000) 17.858 1.616 ( -0.000 6.698 0.000) 6.698 1.821 ( -0.000 17.161 0.000) 17.161 1.962 ( -0.000 1.130 0.000) 1.130 1.977 ( 0.000 9.622 -0.000) 9.622 2.209 ( 0.000 3.278 0.000) 3.278 2.295 ( 0.000 0.771 0.000) 0.771 2.363 ( -0.000 5.176 0.000) 5.176 2.453 ( 0.000 1.372 0.000) 1.372 2.485 ( 0.000 -4.000 0.000) 4.000 2.655 ( 0.000 3.044 0.000) 3.044 2.686 ( -0.000 3.555 -0.000) 3.555 2.695 ( 0.000 1.389 -0.000) 1.389 2.770 ( 0.000 3.899 0.000) 3.899 2.898 ( 0.000 -2.323 0.000) 2.323 2.954 ( 0.000 3.574 0.000) 3.574 3.151 ( -0.000 3.862 0.000) 3.862 3.155 ( 0.000 -3.733 -0.000) 3.733 3.204 ( 0.000 3.963 0.000) 3.963 3.223 ( 0.000 1.248 -0.000) 1.248 3.342 ( -0.000 2.804 0.000) 2.804 3.368 ( 0.000 15.941 -0.000) 15.941 3.451 ( 0.000 -0.845 -0.000) 0.845 3.452 ( -0.000 -2.551 0.000) 2.551 3.528 ( 0.000 10.822 0.000) 10.822 3.564 ( 0.000 5.172 0.000) 5.172 3.624 ( 0.000 -3.512 0.000) 3.512 3.647 ( 0.000 -1.663 0.000) 1.663 3.653 ( 0.000 -3.929 -0.000) 3.929 3.702 ( 0.000 -3.885 0.000) 3.885 3.730 ( -0.000 -3.312 -0.000) 3.312 3.808 ( 0.000 2.025 0.000) 2.025 3.864 ( 0.000 -1.801 -0.000) 1.801 3.934 ( 0.000 -5.153 0.000) 5.153 4.009 ( 0.000 -7.736 0.000) 7.736 4.049 ( 0.000 -2.813 0.000) 2.813 4.094 ( -0.000 -0.921 0.000) 0.921 4.154 ( 0.000 -1.620 0.000) 1.620 4.263 ( -0.000 -1.804 0.000) 1.804 4.273 ( 0.000 -2.591 -0.000) 2.591 4.305 ( 0.000 -1.718 0.000) 1.718 4.331 ( 0.000 3.018 0.000) 3.018 4.386 ( 0.000 -0.292 0.000) 0.292 4.418 ( 0.000 0.426 -0.000) 0.426 4.477 ( 0.000 0.100 0.000) 0.100 4.528 ( 0.000 -4.916 0.000) 4.916 4.572 ( 0.000 2.053 0.000) 2.053 4.675 ( 0.000 1.451 0.000) 1.451 4.717 ( 0.000 -1.796 0.000) 1.796 4.760 ( 0.000 -5.920 0.000) 5.920 4.780 ( -0.000 -0.561 -0.000) 0.561 4.831 ( 0.000 3.545 0.000) 3.545 4.976 ( 0.000 -7.924 0.000) 7.924 4.986 ( 0.000 2.871 0.000) 2.871 5.262 ( 0.000 -10.424 0.000) 10.424 5.339 ( 0.000 3.853 0.000) 3.853 5.430 ( 0.000 -5.167 0.000) 5.167 5.498 ( 0.000 4.138 0.000) 4.138 5.571 ( -0.000 -0.961 0.000) 0.961 5.666 ( 0.000 1.821 0.000) 1.821 5.716 ( 0.000 0.988 0.000) 0.988 5.782 ( 0.000 2.032 -0.000) 2.032 5.805 ( 0.000 1.975 -0.000) 1.975 5.897 ( 0.000 -0.765 -0.000) 0.765 5.932 ( -0.000 -2.649 0.000) 2.649 5.982 ( 0.000 3.535 0.000) 3.535 6.253 ( 0.000 -3.544 0.000) 3.544 6.421 ( 0.000 -2.166 0.000) 2.166 6.464 ( 0.000 6.700 0.000) 6.700 6.543 ( 0.000 4.393 0.000) 4.393 6.599 ( 0.000 9.423 0.000) 9.423 6.750 ( 0.000 -6.375 0.000) 6.375 6.913 ( 0.000 0.327 -0.000) 0.327 6.949 ( -0.000 -0.857 0.000) 0.857 7.086 ( 0.000 1.430 0.000) 1.430 7.240 ( 0.000 -2.796 -0.000) 2.796 7.290 ( -0.000 -3.935 0.000) 3.935 7.488 ( 0.000 -1.707 0.000) 1.707 7.695 ( 0.000 16.157 0.000) 16.157 7.770 ( 0.000 12.860 0.000) 12.860 7.961 ( 0.000 15.810 0.000) 15.810 8.141 ( 0.000 16.829 0.000) 16.829 8.636 ( 0.000 11.163 0.000) 11.163 8.885 ( 0.000 9.392 -0.000) 9.392 8.887 ( -0.000 9.867 0.000) 9.867 9.445 ( 0.000 7.495 0.000) 7.495 9.609 ( 0.000 6.939 0.000) 6.939 9.622 ( 0.000 4.641 0.000) 4.641 9.855 ( 0.000 7.106 -0.000) 7.106 9.863 ( 0.000 4.547 0.000) 4.547 9.967 ( 0.000 5.783 0.000) 5.783 10.105 ( -0.000 3.567 0.000) 3.567 10.108 ( 0.000 4.417 -0.000) 4.417 10.204 ( 0.000 9.283 0.000) 9.283 10.624 ( 0.000 2.187 0.000) 2.187 10.705 ( 0.000 -8.789 0.000) 8.789 10.870 ( 0.000 5.047 0.000) 5.047 11.108 ( 0.000 7.008 0.000) 7.008 11.420 ( 0.000 1.883 0.000) 1.883 11.751 ( 0.000 1.184 0.000) 1.184 11.891 ( -0.000 -4.100 0.000) 4.100 11.923 ( 0.000 -3.931 0.000) 3.931 12.257 ( 0.000 -2.222 -0.000) 2.222 12.297 ( 0.000 -2.020 0.000) 2.020 12.358 ( 0.000 -4.882 0.000) 4.882 12.592 ( 0.000 -4.218 0.000) 4.218 12.743 ( 0.000 -0.515 0.000) 0.515 12.762 ( 0.000 4.796 0.000) 4.796 13.208 ( 0.000 0.677 0.000) 0.677 13.308 ( 0.000 1.911 0.000) 1.911 13.383 ( 0.000 -3.280 0.000) 3.280 13.800 ( 0.000 2.228 0.000) 2.228 13.951 ( 0.000 -4.307 0.000) 4.307 14.152 ( 0.000 -4.817 0.000) 4.817 14.395 ( 0.000 2.493 0.000) 2.493 14.573 ( 0.000 9.053 0.000) 9.053 14.849 ( 0.000 8.588 0.000) 8.588 14.997 ( 0.000 -1.186 0.000) 1.186 15.877 ( -0.000 6.880 0.000) 6.880 15.908 ( 0.000 6.100 0.000) 6.100 16.186 ( 0.000 5.399 0.000) 5.399 16.555 ( 0.000 4.292 0.000) 4.292 16.927 ( 0.000 0.551 0.000) 0.551 16.954 ( 0.000 1.036 0.000) 1.036 17.259 ( 0.000 9.027 0.000) 9.027 17.851 ( 0.000 6.668 0.000) 6.668 17.925 ( 0.000 16.677 0.000) 16.677 18.026 ( 0.000 -5.521 0.000) 5.521 18.415 ( 0.000 13.349 0.000) 13.349 18.740 ( 0.000 -1.475 0.000) 1.475 19.415 ( 0.000 -2.581 0.000) 2.581 19.827 ( 0.000 -11.105 0.000) 11.105 19.949 ( 0.000 -3.545 0.000) 3.545 20.264 ( 0.000 -19.324 0.000) 19.324 21.506 ( 0.000 -7.075 0.000) 7.075 21.581 ( 0.000 -5.592 0.000) 5.592 21.738 ( 0.000 1.467 0.000) 1.467 21.849 ( 0.000 1.648 0.000) 1.648 22.686 ( 0.000 -4.607 0.000) 4.607 22.832 ( 0.000 -2.661 0.000) 2.661 22.862 ( 0.000 -8.383 0.000) 8.383 23.022 ( 0.000 -9.927 0.000) 9.927 ======================= Grid point 21 (13/70) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 0.000 19.584 0.000) 19.584 1.702 ( 0.000 21.852 0.000) 21.852 1.901 ( 0.000 15.013 0.000) 15.013 1.904 ( 0.000 10.540 0.000) 10.540 2.096 ( 0.000 -0.832 0.000) 0.832 2.158 ( 0.000 3.831 0.000) 3.831 2.189 ( 0.000 3.609 0.000) 3.609 2.222 ( 0.000 4.845 0.000) 4.845 2.457 ( 0.000 8.237 0.000) 8.237 2.466 ( 0.000 3.413 0.000) 3.413 2.557 ( 0.000 4.133 0.000) 4.133 2.640 ( 0.000 0.416 0.000) 0.416 2.664 ( 0.000 1.001 0.000) 1.001 2.664 ( 0.000 2.165 0.000) 2.165 2.759 ( 0.000 1.435 0.000) 1.435 2.838 ( 0.000 -2.422 0.000) 2.422 2.917 ( 0.000 -2.632 0.000) 2.632 2.932 ( 0.000 2.839 0.000) 2.839 3.033 ( 0.000 4.566 0.000) 4.566 3.093 ( 0.000 -5.505 0.000) 5.505 3.102 ( 0.000 -2.785 0.000) 2.785 3.141 ( 0.000 -0.611 0.000) 0.611 3.208 ( 0.000 5.210 0.000) 5.210 3.300 ( 0.000 -3.451 0.000) 3.451 3.361 ( 0.000 -2.664 0.000) 2.664 3.421 ( 0.000 -0.985 0.000) 0.985 3.458 ( 0.000 0.919 0.000) 0.919 3.503 ( 0.000 -1.505 0.000) 1.505 3.573 ( 0.000 -2.923 0.000) 2.923 3.648 ( 0.000 -2.719 0.000) 2.719 3.712 ( 0.000 -0.656 0.000) 0.656 3.713 ( 0.000 2.556 0.000) 2.556 3.849 ( 0.000 -5.382 0.000) 5.382 3.858 ( 0.000 3.456 0.000) 3.456 3.956 ( 0.000 -0.322 0.000) 0.322 3.990 ( 0.000 0.684 0.000) 0.684 4.041 ( 0.000 -1.194 0.000) 1.194 4.066 ( 0.000 2.318 0.000) 2.318 4.105 ( 0.000 -3.730 0.000) 3.730 4.119 ( 0.000 1.985 0.000) 1.985 4.139 ( 0.000 -3.034 0.000) 3.034 4.193 ( 0.000 -4.251 0.000) 4.251 4.250 ( 0.000 -1.942 0.000) 1.942 4.339 ( 0.000 -2.049 0.000) 2.049 4.407 ( 0.000 0.931 0.000) 0.931 4.459 ( 0.000 -6.404 0.000) 6.404 4.496 ( 0.000 4.318 0.000) 4.318 4.562 ( 0.000 3.772 0.000) 3.772 4.598 ( 0.000 -4.308 0.000) 4.308 4.695 ( 0.000 0.328 0.000) 0.328 4.698 ( 0.000 -1.675 0.000) 1.675 4.731 ( 0.000 -0.308 0.000) 0.308 4.898 ( 0.000 -2.392 0.000) 2.392 4.936 ( 0.000 4.049 0.000) 4.049 4.985 ( 0.000 -8.120 0.000) 8.120 4.988 ( 0.000 7.723 0.000) 7.723 5.014 ( 0.000 -3.357 0.000) 3.357 5.298 ( 0.000 -7.278 0.000) 7.278 5.481 ( 0.000 5.563 0.000) 5.563 5.498 ( 0.000 0.940 0.000) 0.940 5.573 ( 0.000 0.812 0.000) 0.812 5.693 ( 0.000 0.774 0.000) 0.774 5.699 ( 0.000 0.771 0.000) 0.771 5.789 ( 0.000 2.282 0.000) 2.282 5.876 ( 0.000 1.305 0.000) 1.305 5.951 ( 0.000 -2.574 0.000) 2.574 6.008 ( 0.000 2.416 0.000) 2.416 6.106 ( 0.000 4.119 0.000) 4.119 6.174 ( 0.000 -2.223 0.000) 2.223 6.337 ( 0.000 -2.432 0.000) 2.432 6.554 ( 0.000 -5.240 0.000) 5.240 6.564 ( 0.000 4.432 0.000) 4.432 6.722 ( 0.000 1.342 0.000) 1.342 6.775 ( 0.000 5.697 0.000) 5.697 6.864 ( 0.000 -1.027 0.000) 1.027 6.880 ( 0.000 -0.553 0.000) 0.553 7.113 ( 0.000 -0.048 0.000) 0.048 7.149 ( 0.000 -2.536 0.000) 2.536 7.321 ( 0.000 -3.480 0.000) 3.480 7.363 ( 0.000 0.944 0.000) 0.944 7.963 ( 0.000 11.400 0.000) 11.400 8.051 ( 0.000 20.440 0.000) 20.440 8.299 ( 0.000 12.699 0.000) 12.699 8.505 ( 0.000 12.001 0.000) 12.001 8.829 ( 0.000 6.453 0.000) 6.453 9.052 ( 0.000 8.050 0.000) 8.050 9.106 ( 0.000 11.294 0.000) 11.294 9.609 ( 0.000 3.997 0.000) 3.997 9.698 ( 0.000 5.154 0.000) 5.154 9.729 ( 0.000 1.919 0.000) 1.919 9.937 ( 0.000 2.415 0.000) 2.415 9.967 ( 0.000 -0.278 0.000) 0.278 9.976 ( 0.000 7.740 0.000) 7.740 10.181 ( 0.000 5.425 0.000) 5.425 10.304 ( 0.000 4.229 0.000) 4.229 10.409 ( 0.000 1.554 0.000) 1.554 10.415 ( 0.000 -0.524 0.000) 0.524 10.646 ( 0.000 -9.232 0.000) 9.232 11.036 ( 0.000 5.560 0.000) 5.560 11.229 ( 0.000 2.905 0.000) 2.905 11.331 ( 0.000 2.299 0.000) 2.299 11.682 ( 0.000 -2.893 0.000) 2.893 11.823 ( 0.000 -2.937 0.000) 2.937 11.875 ( 0.000 1.887 0.000) 1.887 12.167 ( 0.000 -0.776 0.000) 0.776 12.264 ( 0.000 -3.720 0.000) 3.720 12.326 ( 0.000 -2.783 0.000) 2.783 12.489 ( 0.000 -4.674 0.000) 4.674 12.741 ( 0.000 0.713 0.000) 0.713 12.966 ( 0.000 3.184 0.000) 3.184 13.181 ( 0.000 2.969 0.000) 2.969 13.261 ( 0.000 -1.339 0.000) 1.339 13.364 ( 0.000 -5.528 0.000) 5.528 13.637 ( 0.000 -3.227 0.000) 3.227 13.911 ( 0.000 -4.241 0.000) 4.241 14.062 ( 0.000 -2.237 0.000) 2.237 14.440 ( 0.000 -0.225 0.000) 0.225 14.742 ( 0.000 2.365 0.000) 2.365 14.781 ( 0.000 3.469 0.000) 3.469 15.147 ( 0.000 2.917 0.000) 2.917 16.025 ( 0.000 17.379 0.000) 17.379 16.150 ( 0.000 11.353 0.000) 11.353 16.276 ( 0.000 7.417 0.000) 7.417 16.692 ( 0.000 8.329 0.000) 8.329 16.849 ( 0.000 -4.953 0.000) 4.953 16.954 ( 0.000 -1.732 0.000) 1.732 17.210 ( 0.000 -7.331 0.000) 7.331 17.893 ( 0.000 -8.808 0.000) 8.808 18.200 ( 0.000 20.995 0.000) 20.995 18.451 ( 0.000 14.066 0.000) 14.066 18.486 ( 0.000 -4.559 0.000) 4.559 19.051 ( 0.000 -1.296 0.000) 1.296 19.521 ( 0.000 2.257 0.000) 2.257 19.532 ( 0.000 -11.378 0.000) 11.378 19.694 ( 0.000 -13.490 0.000) 13.490 20.108 ( 0.000 -0.971 0.000) 0.971 21.172 ( 0.000 -1.229 0.000) 1.229 21.253 ( 0.000 -2.029 0.000) 2.029 21.856 ( 0.000 0.063 0.000) 0.063 21.938 ( 0.000 0.564 0.000) 0.564 22.592 ( 0.000 -5.850 0.000) 5.850 22.646 ( 0.000 -6.069 0.000) 6.069 22.717 ( 0.000 0.466 0.000) 0.466 22.990 ( 0.000 -8.919 0.000) 8.919 ======================= Grid point 22 (14/70) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 1.967 18.395 2.821) 18.714 1.692 ( -2.845 22.070 3.095) 22.467 1.862 ( 1.396 10.635 -5.125) 11.887 1.904 ( -6.901 13.304 7.033) 16.555 2.067 ( -2.359 2.315 -0.677) 3.374 2.140 ( 2.600 5.243 -4.570) 7.425 2.202 ( 1.595 2.474 -1.205) 3.180 2.227 ( -0.279 4.915 1.655) 5.194 2.420 ( -0.961 8.591 -4.317) 9.663 2.455 ( -1.925 1.834 1.057) 2.861 2.537 ( -4.148 2.982 -1.251) 5.260 2.618 ( -2.040 1.006 3.169) 3.901 2.632 ( -0.212 1.657 -1.162) 2.035 2.699 ( 4.461 0.701 -3.494) 5.710 2.791 ( -0.087 1.266 2.790) 3.065 2.827 ( -2.549 -1.971 -0.762) 3.311 2.868 ( -0.208 1.005 -1.742) 2.022 2.982 ( 0.408 -2.329 4.287) 4.895 3.049 ( -2.225 -4.968 2.259) 5.893 3.083 ( 1.411 1.044 -3.741) 4.133 3.140 ( 5.056 4.886 0.985) 7.100 3.192 ( 3.194 -1.426 4.120) 5.404 3.229 ( 1.323 -0.342 2.444) 2.800 3.317 ( 0.492 -5.434 3.368) 6.412 3.409 ( 0.442 1.608 1.076) 1.985 3.427 ( 5.025 3.237 -1.994) 6.301 3.470 ( -0.206 -4.430 2.126) 4.918 3.520 ( 0.607 -0.275 1.249) 1.416 3.596 ( 2.768 -2.966 -2.454) 4.741 3.631 ( 0.030 -2.472 -1.012) 2.671 3.664 ( -1.424 2.606 -2.853) 4.119 3.743 ( 1.443 -0.326 2.579) 2.973 3.775 ( -5.206 -1.012 0.551) 5.332 3.890 ( 1.524 -0.269 -1.238) 1.982 3.950 ( -2.121 -2.235 -1.651) 3.496 4.001 ( -1.619 1.574 1.945) 2.980 4.007 ( -4.010 0.376 -3.462) 5.311 4.046 ( 0.833 -5.274 -1.834) 5.646 4.078 ( 2.249 2.873 -2.531) 4.441 4.111 ( -1.511 -5.181 0.674) 5.439 4.141 ( 0.548 0.818 1.319) 1.646 4.187 ( 1.237 -1.862 -2.946) 3.698 4.291 ( 0.487 -1.501 4.358) 4.635 4.357 ( 0.421 -2.060 1.429) 2.543 4.377 ( -1.173 -0.908 -2.618) 3.009 4.482 ( 0.729 1.201 0.253) 1.428 4.484 ( -1.730 1.718 -0.700) 2.536 4.529 ( -0.675 2.148 2.179) 3.133 4.567 ( -4.007 -2.950 0.421) 4.994 4.668 ( -3.084 -0.843 -0.376) 3.220 4.709 ( 0.575 -1.714 -1.412) 2.294 4.730 ( 0.103 -0.644 0.032) 0.653 4.886 ( -2.457 0.166 2.496) 3.506 4.916 ( -2.592 1.870 -0.272) 3.207 4.974 ( -0.959 3.331 -0.531) 3.506 4.998 ( 0.374 -8.674 0.980) 8.737 5.021 ( 3.169 1.328 -3.376) 4.817 5.296 ( -0.044 -7.266 -0.214) 7.269 5.479 ( -0.858 5.135 0.303) 5.215 5.500 ( 1.989 -0.508 -2.083) 2.925 5.587 ( -1.629 1.368 3.955) 4.490 5.688 ( 0.355 0.569 -1.374) 1.529 5.706 ( 0.492 1.875 0.747) 2.078 5.803 ( 1.915 2.357 -0.506) 3.079 5.856 ( -2.119 1.033 0.093) 2.359 5.927 ( -1.325 -2.541 -2.116) 3.562 6.006 ( 1.187 2.767 -2.759) 4.083 6.095 ( -1.529 4.158 1.273) 4.610 6.169 ( -0.173 -2.582 -0.424) 2.623 6.350 ( 0.829 -2.509 0.497) 2.689 6.560 ( -0.531 1.643 1.732) 2.445 6.579 ( 0.467 -2.222 1.838) 2.922 6.694 ( -1.063 1.880 -2.751) 3.497 6.775 ( -0.079 5.453 -0.261) 5.459 6.861 ( -0.872 -0.685 2.199) 2.463 6.899 ( 1.614 -1.189 -0.324) 2.031 7.109 ( -0.310 0.041 -0.114) 0.333 7.156 ( 0.554 -2.440 0.233) 2.513 7.296 ( -1.271 -3.090 -1.822) 3.806 7.395 ( 2.132 0.149 1.377) 2.542 7.983 ( 1.763 11.502 0.589) 11.652 8.055 ( 1.020 20.092 -0.719) 20.131 8.292 ( -0.906 12.845 0.038) 12.877 8.496 ( -0.767 12.367 -0.343) 12.396 8.838 ( 1.051 6.940 -0.159) 7.021 9.048 ( -0.525 7.717 0.148) 7.737 9.106 ( 0.103 11.584 -0.131) 11.585 9.600 ( -0.879 4.294 -0.124) 4.385 9.694 ( -0.419 4.730 0.305) 4.758 9.733 ( 0.456 2.141 -0.337) 2.215 9.944 ( 0.207 1.929 0.486) 2.000 9.970 ( -1.684 3.947 3.092) 5.289 9.988 ( 2.451 3.768 -1.650) 4.788 10.186 ( 1.024 5.216 -0.802) 5.375 10.253 ( -2.504 2.411 -2.431) 4.241 10.379 ( 0.489 4.456 -2.506) 5.136 10.492 ( 1.556 -1.812 5.220) 5.741 10.627 ( -1.672 -8.148 -0.365) 8.326 11.028 ( -0.949 5.507 -0.138) 5.590 11.216 ( -0.967 3.344 0.163) 3.485 11.364 ( 3.042 1.333 0.059) 3.322 11.704 ( 3.706 -3.325 -1.805) 5.296 11.828 ( -1.803 -2.489 3.123) 4.382 11.863 ( -0.033 1.552 -1.695) 2.299 12.182 ( 1.277 -0.671 0.700) 1.604 12.261 ( -0.470 -3.749 0.353) 3.795 12.312 ( -0.867 -2.062 -0.796) 2.374 12.493 ( 0.867 -4.395 -0.591) 4.519 12.740 ( -0.504 0.621 0.539) 0.964 12.926 ( -2.433 4.607 -1.343) 5.381 13.226 ( 1.395 -0.096 2.677) 3.020 13.277 ( 0.315 -1.015 0.559) 1.201 13.354 ( 1.596 -3.965 -2.256) 4.833 13.651 ( 1.402 -3.018 0.923) 3.453 13.898 ( 0.780 -3.790 -2.897) 4.833 14.061 ( 0.164 -3.030 -0.820) 3.143 14.432 ( -0.653 0.625 0.371) 0.977 14.724 ( 0.531 2.401 -2.888) 3.793 14.835 ( -0.139 1.413 7.441) 7.575 15.115 ( -2.761 3.537 -1.235) 4.654 16.058 ( 2.459 17.076 1.838) 17.350 16.127 ( -0.958 11.051 -1.918) 11.257 16.302 ( 2.095 8.767 0.668) 9.038 16.688 ( 0.671 7.817 -1.787) 8.047 16.867 ( 1.325 -4.660 1.108) 4.970 16.937 ( -0.406 -2.732 -2.105) 3.473 17.236 ( 1.134 -6.036 2.475) 6.622 17.846 ( -1.515 -7.898 -4.440) 9.186 18.196 ( -4.413 19.414 4.695) 20.456 18.395 ( -3.794 9.678 1.535) 10.508 18.565 ( 4.316 0.943 1.716) 4.739 18.981 ( -4.599 2.203 -4.642) 6.896 19.456 ( -2.555 0.615 -4.398) 5.124 19.626 ( 5.054 -12.963 4.838) 14.731 19.684 ( -1.144 -12.505 -0.409) 12.564 20.012 ( -7.068 -0.171 -2.249) 7.419 21.224 ( 5.204 -2.585 0.053) 5.811 21.311 ( 6.932 -2.515 -0.981) 7.439 21.844 ( -1.850 0.157 0.479) 1.918 21.926 ( -1.138 1.111 -0.046) 1.591 22.590 ( -0.241 -4.834 -0.442) 4.860 22.642 ( 0.543 -6.468 0.247) 6.496 22.767 ( 1.283 -2.296 4.720) 5.403 22.949 ( -3.365 -7.662 -1.954) 8.593 ======================= Grid point 23 (15/70) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 1.184 16.491 1.754) 16.626 1.697 ( -1.641 20.072 4.228) 20.578 1.822 ( -1.804 10.000 -2.149) 10.386 1.880 ( -1.783 11.286 3.922) 12.080 2.037 ( -0.168 5.129 -0.826) 5.198 2.150 ( 0.256 9.574 2.319) 9.854 2.192 ( 0.034 6.813 -4.021) 7.911 2.255 ( 3.642 3.993 -1.570) 5.628 2.353 ( -2.001 5.660 -1.652) 6.226 2.426 ( -4.234 -0.419 1.854) 4.641 2.472 ( -2.385 3.873 1.354) 4.746 2.566 ( -3.082 2.212 -5.334) 6.546 2.638 ( 1.733 -0.993 0.153) 2.003 2.719 ( 1.581 -0.406 -1.620) 2.300 2.760 ( -2.076 -0.921 -1.367) 2.650 2.807 ( 0.019 1.757 -0.081) 1.759 2.894 ( 0.339 2.746 3.843) 4.736 3.013 ( -0.073 -2.049 -0.033) 2.051 3.035 ( -1.828 -7.557 1.714) 7.961 3.057 ( 1.161 -2.074 -4.304) 4.917 3.235 ( 3.983 4.634 3.267) 6.929 3.304 ( 1.995 -3.934 5.455) 7.015 3.309 ( 2.554 -3.250 3.577) 5.467 3.367 ( -0.272 -0.056 3.561) 3.572 3.416 ( 0.480 -1.539 0.757) 1.781 3.471 ( 0.906 1.139 -3.172) 3.490 3.486 ( 1.328 -5.268 -0.705) 5.478 3.548 ( 0.782 1.379 2.323) 2.812 3.589 ( 2.008 -2.466 -2.096) 3.809 3.628 ( -1.286 -0.597 0.533) 1.515 3.669 ( 1.046 0.510 0.763) 1.392 3.709 ( 0.519 2.329 -0.815) 2.521 3.820 ( 2.636 -0.180 1.774) 3.183 3.868 ( -1.747 3.385 -4.238) 5.698 3.892 ( -1.252 -1.578 -2.755) 3.413 3.914 ( 0.099 -1.009 -1.571) 1.870 3.953 ( -5.200 0.587 1.258) 5.382 4.011 ( -2.452 -3.924 -2.558) 5.287 4.070 ( 1.736 1.441 -3.518) 4.179 4.126 ( 0.381 0.009 1.639) 1.683 4.170 ( 0.776 -2.778 -0.292) 2.899 4.187 ( 0.611 -3.106 0.194) 3.172 4.307 ( -1.953 0.344 0.181) 1.991 4.352 ( 2.306 1.134 0.961) 2.743 4.391 ( 0.604 -2.293 1.095) 2.612 4.460 ( -1.817 1.058 1.243) 2.443 4.476 ( -1.966 1.661 -0.598) 2.642 4.496 ( -1.139 0.498 0.605) 1.383 4.571 ( -2.061 -2.237 -0.100) 3.043 4.636 ( 1.511 1.152 2.398) 3.059 4.658 ( -2.937 -3.515 -0.877) 4.664 4.747 ( 0.296 -0.444 0.694) 0.875 4.838 ( -4.499 3.954 -0.862) 6.051 4.886 ( -1.857 -1.843 1.603) 3.069 4.942 ( -0.210 2.248 -2.814) 3.608 5.021 ( 0.396 -6.691 1.122) 6.796 5.035 ( 2.437 -0.600 -2.115) 3.282 5.293 ( 0.072 -7.329 -0.271) 7.335 5.456 ( -0.799 4.284 -1.309) 4.550 5.524 ( 2.357 -1.233 -0.534) 2.713 5.587 ( -2.941 1.379 2.531) 4.118 5.684 ( 0.372 -0.184 -0.224) 0.471 5.728 ( 1.033 3.677 0.234) 3.826 5.812 ( -0.753 0.553 -0.637) 1.131 5.845 ( 1.871 1.998 -0.347) 2.759 5.879 ( -2.080 -1.497 -0.061) 2.563 5.970 ( -0.567 3.133 -4.300) 5.351 6.095 ( -0.722 4.589 1.523) 4.889 6.171 ( 0.640 -3.465 0.504) 3.559 6.364 ( 0.508 -2.663 -0.031) 2.711 6.572 ( -0.008 4.246 1.220) 4.418 6.610 ( -0.337 -4.061 2.217) 4.639 6.645 ( -0.944 2.047 -1.686) 2.815 6.763 ( 0.117 5.175 -1.751) 5.464 6.884 ( -0.835 -0.912 3.713) 3.913 6.918 ( 1.715 -1.280 -1.154) 2.432 7.104 ( -0.194 0.312 -0.002) 0.368 7.170 ( 0.780 -2.309 0.395) 2.469 7.247 ( -1.494 -3.176 -2.362) 4.231 7.444 ( 1.605 -0.348 1.257) 2.068 8.022 ( 1.792 11.791 0.491) 11.936 8.068 ( 1.221 19.335 -0.545) 19.381 8.275 ( -1.009 13.068 0.075) 13.108 8.478 ( -0.845 13.069 -0.300) 13.100 8.854 ( 0.949 8.131 -0.239) 8.189 9.040 ( -0.469 6.807 0.129) 6.825 9.106 ( 0.041 12.225 -0.081) 12.226 9.584 ( -0.789 4.728 -0.094) 4.794 9.697 ( 0.139 3.813 0.653) 3.871 9.731 ( 0.104 2.846 -0.804) 2.959 9.948 ( -0.729 1.634 0.929) 2.016 9.979 ( -0.612 6.626 1.626) 6.850 10.015 ( 2.084 0.704 -0.517) 2.259 10.181 ( 1.018 2.165 -4.301) 4.922 10.208 ( -1.871 4.534 2.078) 5.327 10.369 ( 0.607 5.765 -0.962) 5.876 10.540 ( -0.456 -6.635 0.274) 6.656 10.613 ( -0.173 -2.793 2.100) 3.499 11.005 ( -1.170 5.791 -0.431) 5.924 11.211 ( -0.325 3.654 0.570) 3.712 11.410 ( 2.422 0.001 -0.287) 2.439 11.753 ( 5.214 -3.488 -3.029) 6.966 11.824 ( -1.933 -0.185 1.758) 2.620 11.846 ( -1.475 -1.126 0.968) 2.093 12.215 ( 1.195 -0.433 1.016) 1.627 12.259 ( -0.390 -3.860 0.613) 3.928 12.288 ( -0.671 -1.007 -1.040) 1.595 12.501 ( 0.816 -3.903 -0.531) 4.023 12.739 ( -0.376 0.375 0.570) 0.779 12.882 ( -1.463 5.021 -0.625) 5.267 13.250 ( -1.354 0.006 -1.677) 2.156 13.262 ( 0.523 -2.848 1.103) 3.099 13.374 ( 1.406 -0.608 -0.986) 1.822 13.714 ( 3.082 -3.794 3.011) 5.741 13.880 ( 0.876 -3.596 -2.775) 4.626 14.050 ( 0.297 -3.659 -1.327) 3.903 14.432 ( -0.464 0.956 0.843) 1.357 14.700 ( -0.384 2.466 -1.376) 2.850 14.911 ( 0.389 -1.262 5.022) 5.192 15.048 ( -3.040 4.682 -1.153) 5.700 16.089 ( -0.694 12.046 -1.720) 12.188 16.128 ( 2.443 16.412 1.989) 16.712 16.343 ( 1.840 10.398 0.420) 10.567 16.674 ( 0.446 6.729 -2.091) 7.061 16.905 ( 0.255 -4.196 -0.692) 4.260 16.908 ( 0.882 -3.798 0.196) 3.905 17.285 ( 1.151 -4.278 2.168) 4.932 17.779 ( -0.850 -8.825 -3.284) 9.455 18.155 ( -4.949 18.061 2.816) 18.937 18.373 ( -2.307 12.555 2.841) 13.077 18.642 ( 2.585 2.758 1.968) 4.261 18.830 ( -5.413 8.219 -5.849) 11.449 19.390 ( 1.744 0.120 -4.766) 5.076 19.614 ( -4.960 -12.387 0.395) 13.349 19.783 ( 5.158 -16.795 3.751) 17.966 19.904 ( -4.312 -3.694 0.286) 5.685 21.320 ( 5.433 -4.236 0.260) 6.894 21.418 ( 6.611 -3.728 -1.292) 7.699 21.806 ( -2.953 1.179 0.325) 3.196 21.905 ( -1.330 1.770 0.059) 2.215 22.582 ( 0.071 -4.193 -0.141) 4.196 22.671 ( 1.411 -7.209 1.169) 7.438 22.825 ( -0.697 -5.034 1.906) 5.428 22.858 ( -3.278 -4.672 -1.404) 5.878 ======================= Grid point 24 (16/70) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 0.000 16.060 0.000) 16.060 1.710 ( 0.000 17.437 0.000) 17.437 1.788 ( 0.000 9.391 -0.000) 9.391 1.903 ( -0.000 10.944 0.000) 10.944 2.033 ( 0.000 5.649 -0.000) 5.649 2.145 ( 0.000 13.722 -0.000) 13.722 2.197 ( 0.000 11.336 0.000) 11.336 2.273 ( 0.000 3.332 0.000) 3.332 2.329 ( 0.000 3.109 0.000) 3.109 2.397 ( 0.000 -1.972 0.000) 1.972 2.451 ( -0.000 3.343 -0.000) 3.343 2.498 ( 0.000 2.328 0.000) 2.328 2.663 ( 0.000 -1.790 0.000) 1.790 2.727 ( 0.000 -0.194 0.000) 0.194 2.732 ( -0.000 0.942 -0.000) 0.942 2.798 ( 0.000 -0.218 0.000) 0.218 2.930 ( 0.000 4.477 0.000) 4.477 2.996 ( 0.000 -0.309 -0.000) 0.309 3.034 ( -0.000 -9.577 0.000) 9.577 3.036 ( 0.000 -4.800 -0.000) 4.800 3.314 ( 0.000 1.083 0.000) 1.083 3.347 ( 0.000 7.088 0.000) 7.088 3.365 ( 0.000 -1.759 0.000) 1.759 3.374 ( 0.000 -4.306 0.000) 4.306 3.414 ( 0.000 -4.608 -0.000) 4.608 3.439 ( 0.000 -10.213 0.000) 10.213 3.512 ( 0.000 0.200 -0.000) 0.200 3.570 ( 0.000 -2.252 -0.000) 2.252 3.580 ( 0.000 -0.200 0.000) 0.200 3.622 ( 0.000 -3.914 0.000) 3.914 3.690 ( 0.000 1.242 0.000) 1.242 3.739 ( 0.000 4.920 0.000) 4.920 3.810 ( 0.000 6.401 -0.000) 6.401 3.850 ( -0.000 4.048 0.000) 4.048 3.864 ( 0.000 -2.243 -0.000) 2.243 3.896 ( 0.000 -1.886 0.000) 1.886 3.918 ( 0.000 4.840 0.000) 4.840 3.975 ( 0.000 -5.688 0.000) 5.688 4.096 ( -0.000 -1.984 0.000) 1.984 4.099 ( 0.000 4.789 -0.000) 4.789 4.175 ( 0.000 -3.316 0.000) 3.316 4.199 ( 0.000 -4.830 0.000) 4.830 4.291 ( 0.000 0.328 0.000) 0.328 4.384 ( 0.000 -0.398 0.000) 0.398 4.431 ( 0.000 3.230 0.000) 3.230 4.443 ( -0.000 0.791 -0.000) 0.791 4.460 ( -0.000 0.480 0.000) 0.480 4.466 ( 0.000 -0.291 0.000) 0.291 4.540 ( 0.000 -3.750 0.000) 3.750 4.621 ( 0.000 -5.193 0.000) 5.193 4.724 ( 0.000 1.014 0.000) 1.014 4.733 ( -0.000 2.979 -0.000) 2.979 4.771 ( 0.000 1.037 0.000) 1.037 4.880 ( -0.000 -1.964 0.000) 1.964 4.920 ( 0.000 3.289 -0.000) 3.289 5.026 ( 0.000 -1.906 0.000) 1.906 5.050 ( 0.000 -6.136 0.000) 6.136 5.293 ( 0.000 -7.591 0.000) 7.591 5.439 ( 0.000 4.516 0.000) 4.516 5.556 ( 0.000 -1.507 -0.000) 1.507 5.559 ( -0.000 1.307 0.000) 1.307 5.687 ( 0.000 -1.053 0.000) 1.053 5.736 ( 0.000 3.702 0.000) 3.702 5.800 ( 0.000 0.192 -0.000) 0.192 5.863 ( 0.000 2.895 -0.000) 2.895 5.877 ( 0.000 -0.752 0.000) 0.752 5.922 ( 0.000 2.826 0.000) 2.826 6.097 ( 0.000 5.103 0.000) 5.103 6.185 ( 0.000 -3.780 0.000) 3.780 6.367 ( 0.000 -2.701 0.000) 2.701 6.586 ( 0.000 4.826 0.000) 4.826 6.598 ( 0.000 0.476 0.000) 0.476 6.644 ( 0.000 -2.918 0.000) 2.918 6.751 ( 0.000 5.250 0.000) 5.250 6.900 ( 0.000 -1.194 -0.000) 1.194 6.928 ( -0.000 -1.101 0.000) 1.101 7.102 ( 0.000 0.498 0.000) 0.498 7.186 ( 0.000 -2.020 0.000) 2.020 7.212 ( -0.000 -3.469 -0.000) 3.469 7.466 ( 0.000 -0.502 0.000) 0.502 8.041 ( 0.000 11.855 0.000) 11.855 8.076 ( 0.000 19.068 0.000) 19.068 8.266 ( 0.000 13.118 0.000) 13.118 8.468 ( 0.000 13.414 0.000) 13.414 8.861 ( 0.000 8.841 0.000) 8.841 9.037 ( 0.000 6.218 -0.000) 6.218 9.106 ( 0.000 12.569 0.000) 12.569 9.576 ( 0.000 4.887 0.000) 4.887 9.707 ( 0.000 2.369 -0.000) 2.369 9.723 ( 0.000 4.302 0.000) 4.302 9.946 ( 0.000 1.840 -0.000) 1.840 9.983 ( 0.000 6.749 0.000) 6.749 10.033 ( 0.000 -0.317 0.000) 0.317 10.158 ( 0.000 1.472 0.000) 1.472 10.209 ( 0.000 5.303 0.000) 5.303 10.371 ( 0.000 6.058 0.000) 6.058 10.527 ( 0.000 -7.806 0.000) 7.806 10.632 ( 0.000 -1.575 0.000) 1.575 10.991 ( 0.000 6.169 0.000) 6.169 11.212 ( 0.000 3.719 0.000) 3.719 11.429 ( 0.000 -0.578 0.000) 0.578 11.786 ( 0.000 -1.160 -0.000) 1.160 11.819 ( -0.000 -2.443 0.000) 2.443 11.834 ( 0.000 -1.389 -0.000) 1.389 12.233 ( 0.000 -0.462 -0.000) 0.462 12.261 ( 0.000 -4.078 -0.000) 4.078 12.273 ( 0.000 -0.388 0.000) 0.388 12.505 ( 0.000 -3.682 0.000) 3.682 12.739 ( 0.000 0.155 0.000) 0.155 12.866 ( 0.000 4.884 0.000) 4.884 13.226 ( 0.000 0.776 0.000) 0.776 13.273 ( 0.000 -3.468 0.000) 3.468 13.376 ( 0.000 1.100 0.000) 1.100 13.770 ( 0.000 -4.846 -0.000) 4.846 13.868 ( 0.000 -3.487 0.000) 3.487 14.046 ( 0.000 -3.894 0.000) 3.894 14.432 ( 0.000 0.953 0.000) 0.953 14.688 ( 0.000 2.764 0.000) 2.764 14.947 ( 0.000 -3.133 0.000) 3.133 15.011 ( 0.000 5.877 0.000) 5.877 16.072 ( 0.000 12.420 0.000) 12.420 16.163 ( 0.000 16.746 -0.000) 16.746 16.362 ( 0.000 10.974 0.000) 10.974 16.664 ( 0.000 6.034 0.000) 6.034 16.893 ( 0.000 -4.439 0.000) 4.439 16.929 ( 0.000 -3.552 0.000) 3.552 17.309 ( 0.000 -3.691 0.000) 3.691 17.753 ( 0.000 -10.043 0.000) 10.043 18.126 ( 0.000 18.159 0.000) 18.159 18.371 ( 0.000 13.845 0.000) 13.845 18.701 ( -0.000 14.181 -0.000) 14.181 18.717 ( 0.000 0.593 0.000) 0.593 19.389 ( 0.000 0.398 0.000) 0.398 19.564 ( 0.000 -13.918 0.000) 13.918 19.861 ( -0.000 -19.075 0.000) 19.075 19.862 ( 0.000 -4.947 -0.000) 4.947 21.373 ( 0.000 -5.510 0.000) 5.510 21.472 ( 0.000 -4.678 0.000) 4.678 21.778 ( 0.000 2.235 0.000) 2.235 21.891 ( 0.000 2.303 0.000) 2.303 22.586 ( 0.000 -4.698 0.000) 4.698 22.695 ( 0.000 -7.333 0.000) 7.333 22.779 ( 0.000 -2.231 0.000) 2.231 22.858 ( 0.000 -5.995 0.000) 5.995 ======================= Grid point 28 (17/70) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 0.000 11.037 0.000) 11.037 1.977 ( 0.000 2.690 0.000) 2.690 2.052 ( 0.000 -1.394 0.000) 1.394 2.143 ( 0.000 11.290 0.000) 11.290 2.172 ( 0.000 10.507 0.000) 10.507 2.265 ( 0.000 3.869 0.000) 3.869 2.301 ( 0.000 4.792 0.000) 4.792 2.332 ( 0.000 5.317 0.000) 5.317 2.481 ( 0.000 -0.833 0.000) 0.833 2.527 ( 0.000 -1.228 0.000) 1.228 2.577 ( 0.000 -6.025 0.000) 6.025 2.606 ( 0.000 1.346 0.000) 1.346 2.655 ( 0.000 0.330 0.000) 0.330 2.655 ( 0.000 -0.429 0.000) 0.429 2.749 ( 0.000 -2.859 0.000) 2.859 2.795 ( 0.000 1.642 0.000) 1.642 2.824 ( 0.000 -8.131 0.000) 8.131 2.911 ( 0.000 -4.606 0.000) 4.606 2.971 ( 0.000 -3.407 0.000) 3.407 3.032 ( 0.000 2.434 0.000) 2.434 3.129 ( 0.000 0.005 0.000) 0.005 3.232 ( 0.000 7.947 0.000) 7.947 3.260 ( 0.000 0.249 0.000) 0.249 3.264 ( 0.000 -2.796 0.000) 2.796 3.364 ( 0.000 1.980 0.000) 1.980 3.422 ( 0.000 -7.411 0.000) 7.411 3.444 ( 0.000 -2.713 0.000) 2.713 3.489 ( 0.000 0.434 0.000) 0.434 3.586 ( 0.000 11.140 0.000) 11.140 3.657 ( 0.000 6.733 0.000) 6.733 3.712 ( 0.000 0.502 0.000) 0.502 3.765 ( 0.000 -3.009 0.000) 3.009 3.828 ( 0.000 7.122 0.000) 7.122 3.860 ( 0.000 -3.846 0.000) 3.846 3.862 ( 0.000 -8.274 0.000) 8.274 3.930 ( 0.000 -6.417 0.000) 6.417 4.017 ( 0.000 2.170 0.000) 2.170 4.048 ( 0.000 -7.077 0.000) 7.077 4.064 ( 0.000 0.544 0.000) 0.544 4.069 ( 0.000 -2.493 0.000) 2.493 4.162 ( 0.000 2.392 0.000) 2.392 4.216 ( 0.000 3.243 0.000) 3.243 4.257 ( 0.000 2.481 0.000) 2.481 4.306 ( 0.000 -1.505 0.000) 1.505 4.343 ( 0.000 -4.071 0.000) 4.071 4.399 ( 0.000 -0.813 0.000) 0.813 4.513 ( 0.000 -0.951 0.000) 0.951 4.609 ( 0.000 2.882 0.000) 2.882 4.634 ( 0.000 2.453 0.000) 2.453 4.673 ( 0.000 -1.113 0.000) 1.113 4.693 ( 0.000 -0.315 0.000) 0.315 4.711 ( 0.000 -0.801 0.000) 0.801 4.814 ( 0.000 -4.859 0.000) 4.859 4.872 ( 0.000 -1.093 0.000) 1.093 5.004 ( 0.000 1.989 0.000) 1.989 5.032 ( 0.000 2.887 0.000) 2.887 5.089 ( 0.000 2.130 0.000) 2.130 5.163 ( 0.000 -5.462 0.000) 5.462 5.518 ( 0.000 0.605 0.000) 0.605 5.552 ( 0.000 1.653 0.000) 1.653 5.569 ( 0.000 -0.491 0.000) 0.491 5.715 ( 0.000 0.919 0.000) 0.919 5.739 ( 0.000 1.769 0.000) 1.769 5.828 ( 0.000 1.164 0.000) 1.164 5.899 ( 0.000 0.762 0.000) 0.762 5.919 ( 0.000 -0.538 0.000) 0.538 6.042 ( 0.000 0.959 0.000) 0.959 6.114 ( 0.000 -2.641 0.000) 2.641 6.178 ( 0.000 2.479 0.000) 2.479 6.291 ( 0.000 -1.793 0.000) 1.793 6.484 ( 0.000 -1.552 0.000) 1.552 6.625 ( 0.000 1.442 0.000) 1.442 6.747 ( 0.000 0.974 0.000) 0.974 6.835 ( 0.000 0.304 0.000) 0.304 6.858 ( 0.000 -1.143 0.000) 1.143 6.864 ( 0.000 1.110 0.000) 1.110 7.114 ( 0.000 0.103 0.000) 0.103 7.115 ( 0.000 -0.772 0.000) 0.772 7.266 ( 0.000 -1.615 0.000) 1.615 7.381 ( 0.000 0.568 0.000) 0.568 8.126 ( 0.000 4.050 0.000) 4.050 8.406 ( 0.000 12.232 0.000) 12.232 8.493 ( 0.000 5.311 0.000) 5.311 8.644 ( 0.000 0.724 0.000) 0.724 8.908 ( 0.000 1.660 0.000) 1.660 9.199 ( 0.000 5.945 0.000) 5.945 9.338 ( 0.000 8.471 0.000) 8.471 9.607 ( 0.000 -2.912 0.000) 2.912 9.753 ( 0.000 1.619 0.000) 1.619 9.839 ( 0.000 6.985 0.000) 6.985 9.906 ( 0.000 -4.352 0.000) 4.352 9.936 ( 0.000 -2.482 0.000) 2.482 10.096 ( 0.000 3.060 0.000) 3.060 10.279 ( 0.000 -3.052 0.000) 3.052 10.299 ( 0.000 5.548 0.000) 5.548 10.427 ( 0.000 -1.431 0.000) 1.431 10.452 ( 0.000 1.845 0.000) 1.845 10.478 ( 0.000 -4.787 0.000) 4.787 11.123 ( 0.000 2.359 0.000) 2.359 11.277 ( 0.000 1.454 0.000) 1.454 11.364 ( 0.000 0.809 0.000) 0.809 11.634 ( 0.000 -1.416 0.000) 1.416 11.788 ( 0.000 -0.673 0.000) 0.673 11.905 ( 0.000 0.835 0.000) 0.835 12.159 ( 0.000 -0.116 0.000) 0.116 12.208 ( 0.000 -1.468 0.000) 1.468 12.296 ( 0.000 -0.469 0.000) 0.469 12.422 ( 0.000 -1.695 0.000) 1.695 12.756 ( 0.000 0.524 0.000) 0.524 13.021 ( 0.000 1.750 0.000) 1.750 13.196 ( 0.000 -0.518 0.000) 0.518 13.267 ( 0.000 1.008 0.000) 1.008 13.278 ( 0.000 -2.501 0.000) 2.501 13.588 ( 0.000 -1.359 0.000) 1.359 13.850 ( 0.000 -1.563 0.000) 1.563 14.025 ( 0.000 -1.078 0.000) 1.078 14.435 ( 0.000 -0.196 0.000) 0.196 14.768 ( 0.000 0.484 0.000) 0.484 14.808 ( 0.000 0.101 0.000) 0.101 15.159 ( 0.000 -0.485 0.000) 0.485 16.389 ( 0.000 16.476 0.000) 16.476 16.443 ( 0.000 15.352 0.000) 15.352 16.448 ( 0.000 7.171 0.000) 7.171 16.691 ( 0.000 -10.418 0.000) 10.418 16.719 ( 0.000 -8.378 0.000) 8.378 16.951 ( 0.000 2.636 0.000) 2.636 17.030 ( 0.000 -7.718 0.000) 7.718 17.767 ( 0.000 -3.163 0.000) 3.163 18.410 ( 0.000 -2.236 0.000) 2.236 18.568 ( 0.000 12.148 0.000) 12.148 18.725 ( 0.000 10.144 0.000) 10.144 19.030 ( 0.000 -0.652 0.000) 0.652 19.308 ( 0.000 -8.610 0.000) 8.610 19.439 ( 0.000 -9.195 0.000) 9.195 19.551 ( 0.000 0.678 0.000) 0.678 20.091 ( 0.000 -0.563 0.000) 0.563 21.152 ( 0.000 -0.568 0.000) 0.568 21.224 ( 0.000 -0.776 0.000) 0.776 21.862 ( 0.000 0.331 0.000) 0.331 21.956 ( 0.000 0.790 0.000) 0.790 22.496 ( 0.000 -2.808 0.000) 2.808 22.554 ( 0.000 -2.497 0.000) 2.497 22.743 ( 0.000 1.967 0.000) 1.967 22.844 ( 0.000 -5.020 0.000) 5.020 ======================= Grid point 29 (18/70) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -0.178 9.104 1.471) 9.224 1.988 ( -0.308 4.220 2.212) 4.775 2.054 ( -1.506 2.786 1.209) 3.390 2.089 ( -3.417 8.060 0.958) 8.807 2.173 ( -2.391 8.888 1.198) 9.281 2.219 ( 0.475 2.591 -5.369) 5.981 2.320 ( 2.643 5.695 -0.872) 6.338 2.349 ( -0.020 6.963 1.310) 7.085 2.439 ( -3.865 -3.120 0.418) 4.985 2.511 ( -1.270 0.051 -1.045) 1.646 2.590 ( 0.877 -5.515 0.410) 5.599 2.615 ( -0.999 2.141 -0.912) 2.532 2.644 ( 0.246 2.049 -1.084) 2.331 2.669 ( 1.402 -0.024 1.506) 2.058 2.741 ( -0.933 -0.921 0.535) 1.417 2.811 ( 1.467 -0.680 -1.463) 2.180 2.833 ( -0.355 -8.286 1.401) 8.411 2.911 ( -0.637 -0.653 0.261) 0.949 2.968 ( 0.771 -3.732 -0.307) 3.823 3.042 ( 1.599 -0.845 -0.204) 1.820 3.081 ( -1.758 -2.274 -2.482) 3.798 3.257 ( 0.791 3.604 0.880) 3.793 3.266 ( 2.048 -2.104 -0.545) 2.986 3.306 ( 2.592 2.324 2.226) 4.132 3.368 ( -1.646 -1.360 -1.871) 2.839 3.441 ( 1.615 -4.357 4.345) 6.362 3.474 ( 2.372 0.676 0.584) 2.535 3.502 ( 0.212 -0.495 3.537) 3.578 3.610 ( -0.280 7.131 2.107) 7.441 3.658 ( -0.996 6.855 -0.436) 6.940 3.733 ( 1.693 0.032 1.477) 2.246 3.737 ( -3.432 0.844 -0.588) 3.583 3.791 ( -0.802 3.907 0.862) 4.080 3.821 ( -2.368 -7.481 -1.287) 7.952 3.866 ( -2.547 -5.957 1.894) 6.749 3.945 ( 1.654 -2.707 -4.105) 5.188 3.983 ( -2.903 -3.640 -1.695) 4.955 4.006 ( 2.981 -0.246 -3.382) 4.515 4.044 ( -2.153 1.632 0.224) 2.711 4.088 ( 2.213 -3.847 -3.297) 5.529 4.174 ( 1.044 1.291 -0.181) 1.670 4.205 ( 0.411 4.260 -1.319) 4.478 4.294 ( 0.845 -1.426 1.888) 2.513 4.309 ( 0.195 -2.445 2.662) 3.620 4.340 ( 0.753 -0.102 1.438) 1.626 4.472 ( 2.947 -0.285 2.567) 3.919 4.508 ( -1.646 0.240 1.226) 2.067 4.560 ( -4.172 1.084 -1.150) 4.462 4.599 ( -0.492 2.780 -1.945) 3.428 4.646 ( -1.432 -1.735 -2.343) 3.249 4.692 ( -0.183 0.352 -1.782) 1.825 4.725 ( 0.813 0.157 0.762) 1.125 4.817 ( -1.971 -4.438 2.902) 5.657 4.880 ( 2.208 -0.222 -1.470) 2.662 4.984 ( -2.128 1.457 0.487) 2.625 5.020 ( -4.265 2.111 3.583) 5.957 5.083 ( 1.872 1.859 -4.224) 4.980 5.158 ( -0.292 -5.281 -0.456) 5.309 5.490 ( 1.183 -0.348 -4.074) 4.256 5.546 ( -1.559 1.499 0.666) 2.263 5.594 ( -2.247 -0.081 5.512) 5.953 5.700 ( -0.029 0.547 -2.195) 2.262 5.770 ( 1.934 2.456 2.383) 3.930 5.840 ( 0.987 1.087 -0.414) 1.525 5.874 ( -2.300 1.144 -0.615) 2.642 5.901 ( -0.474 -0.670 -1.153) 1.415 6.047 ( 2.166 1.317 -3.043) 3.961 6.098 ( 0.522 -3.019 -2.908) 4.224 6.168 ( -1.663 2.208 1.121) 2.983 6.303 ( 0.642 -1.745 0.617) 1.959 6.508 ( -0.040 -1.375 3.975) 4.206 6.626 ( -0.820 1.403 1.325) 2.097 6.720 ( -0.640 0.700 -3.002) 3.148 6.846 ( -0.617 1.335 1.762) 2.294 6.857 ( 0.304 0.547 -0.871) 1.073 6.870 ( 0.289 -1.357 1.339) 1.928 7.112 ( -0.149 0.233 0.079) 0.287 7.123 ( 0.317 -0.797 0.715) 1.117 7.245 ( -0.624 -1.544 -2.606) 3.092 7.403 ( 1.791 0.345 0.835) 2.006 8.147 ( 1.734 4.095 0.894) 4.536 8.405 ( 1.177 11.988 -1.853) 12.187 8.488 ( -1.224 5.449 0.855) 5.649 8.638 ( -0.367 0.732 -0.474) 0.946 8.924 ( 1.230 1.840 0.773) 2.344 9.192 ( -0.113 5.946 -0.911) 6.017 9.346 ( 0.563 8.805 0.451) 8.834 9.601 ( 0.090 -2.936 -0.955) 3.089 9.756 ( -0.238 2.453 0.662) 2.552 9.835 ( -0.329 6.748 -0.081) 6.756 9.909 ( -0.296 -5.453 0.801) 5.519 9.933 ( -0.223 -2.794 0.072) 2.804 10.105 ( 0.568 3.329 0.608) 3.432 10.242 ( -1.453 -1.140 -2.661) 3.239 10.304 ( -0.583 4.733 1.191) 4.915 10.420 ( -2.065 -3.299 1.345) 4.118 10.457 ( 1.831 0.604 -2.272) 2.980 10.505 ( 1.722 -2.407 2.124) 3.643 11.113 ( -0.725 2.308 -0.448) 2.460 11.272 ( -0.316 1.759 0.146) 1.794 11.383 ( 1.963 0.520 -0.207) 2.042 11.645 ( 2.148 -1.857 -1.251) 3.103 11.798 ( -0.282 -0.494 1.901) 1.984 11.892 ( -0.658 0.823 -1.114) 1.533 12.176 ( 1.594 -0.081 0.499) 1.672 12.205 ( -0.337 -1.449 0.117) 1.493 12.290 ( -0.489 -0.387 -0.278) 0.683 12.430 ( 1.162 -1.593 -0.405) 2.013 12.753 ( -0.731 0.464 0.589) 1.047 12.998 ( -1.939 2.067 -0.480) 2.874 13.204 ( 0.415 -0.989 0.394) 1.143 13.265 ( -0.636 -1.042 -0.441) 1.298 13.306 ( 3.180 -0.354 0.699) 3.276 13.605 ( 1.253 -1.218 1.079) 2.053 13.840 ( 0.255 -1.559 -1.859) 2.439 14.017 ( 0.063 -1.162 -1.330) 1.767 14.436 ( -0.414 -0.030 0.871) 0.965 14.750 ( 0.822 0.431 -3.474) 3.596 14.837 ( -1.064 -0.415 5.348) 5.469 15.139 ( -1.636 -0.074 -0.785) 1.816 16.405 ( -0.377 14.238 -1.234) 14.297 16.417 ( 1.466 15.858 0.943) 15.954 16.498 ( 2.623 8.337 1.486) 8.866 16.697 ( 0.084 -8.948 -0.978) 9.002 16.723 ( 0.756 -9.826 1.672) 9.996 16.912 ( 1.442 1.751 -6.543) 6.925 17.085 ( 0.147 -6.152 6.612) 9.033 17.726 ( -2.020 -3.194 -3.692) 5.284 18.418 ( 0.559 -0.655 0.777) 1.159 18.565 ( -2.142 11.586 2.343) 12.013 18.731 ( 1.913 8.392 -1.568) 8.749 19.017 ( -3.291 1.939 2.657) 4.653 19.340 ( 0.932 -8.532 0.783) 8.619 19.395 ( 0.123 -9.376 -2.547) 9.717 19.546 ( -2.382 -0.555 1.072) 2.670 20.002 ( -7.702 -0.470 -2.489) 8.108 21.187 ( 3.881 -0.976 -0.105) 4.003 21.273 ( 5.717 -1.032 -0.738) 5.856 21.853 ( -1.265 0.436 0.345) 1.382 21.952 ( -0.533 0.974 0.068) 1.113 22.511 ( 1.033 -2.380 0.799) 2.715 22.541 ( -0.277 -2.721 -1.132) 2.960 22.752 ( -0.293 0.531 1.630) 1.739 22.828 ( -1.613 -3.875 -0.327) 4.210 ======================= Grid point 30 (19/70) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -0.617 6.448 0.972) 6.550 1.999 ( -1.811 6.938 -0.046) 7.171 2.008 ( -1.759 4.008 1.579) 4.653 2.098 ( -1.213 11.736 2.807) 12.128 2.141 ( -1.400 6.303 -0.216) 6.461 2.227 ( 5.335 -0.070 -0.052) 5.336 2.345 ( 0.675 4.334 -0.162) 4.389 2.357 ( 0.855 4.594 -0.397) 4.690 2.391 ( -3.709 -2.502 2.286) 5.025 2.478 ( -1.715 3.428 0.349) 3.849 2.572 ( -3.585 -0.717 0.330) 3.671 2.575 ( -1.061 -0.551 -2.578) 2.842 2.642 ( 1.251 3.478 -5.358) 6.509 2.689 ( -0.051 2.392 2.230) 3.270 2.730 ( 0.281 0.396 -1.280) 1.369 2.808 ( 0.550 -2.126 -0.557) 2.266 2.835 ( -0.352 -8.087 0.494) 8.110 2.921 ( 0.691 -0.065 1.709) 1.845 2.979 ( 0.934 -2.512 -1.107) 2.900 3.020 ( -1.199 -3.367 -2.363) 4.285 3.101 ( 2.261 -6.375 1.839) 7.010 3.270 ( 0.827 -5.821 -3.638) 6.914 3.275 ( 0.743 0.501 -0.107) 0.903 3.323 ( -1.785 -3.049 1.187) 3.727 3.392 ( 3.649 6.835 3.061) 8.331 3.506 ( 3.649 -2.206 0.909) 4.360 3.539 ( 0.857 1.935 2.758) 3.477 3.547 ( -2.888 -0.920 6.162) 6.867 3.590 ( -2.764 4.715 -0.151) 5.467 3.604 ( -3.637 4.603 -0.028) 5.867 3.681 ( -0.378 0.415 -1.187) 1.314 3.776 ( 0.352 -4.751 -1.396) 4.964 3.787 ( 0.408 -4.506 -0.079) 4.525 3.820 ( -3.310 -2.457 3.156) 5.192 3.844 ( 0.678 -0.947 -0.695) 1.356 3.872 ( -0.523 -0.943 -1.606) 1.934 3.965 ( -0.691 1.335 -0.752) 1.681 4.000 ( 1.262 3.173 -1.201) 3.619 4.050 ( 2.758 -5.027 -2.855) 6.405 4.095 ( 2.483 -0.987 -2.185) 3.452 4.178 ( -0.602 2.066 0.475) 2.204 4.195 ( 0.327 2.109 -0.798) 2.279 4.324 ( 0.597 -2.798 1.077) 3.058 4.353 ( 2.028 -0.099 1.866) 2.757 4.389 ( 0.140 2.271 3.390) 4.083 4.485 ( -1.367 0.074 -0.472) 1.448 4.490 ( -1.295 1.311 1.018) 2.105 4.499 ( -1.231 0.242 -0.611) 1.395 4.556 ( -2.157 0.203 -4.412) 4.915 4.634 ( -1.023 1.130 -0.693) 1.674 4.656 ( 1.578 -0.513 -0.120) 1.664 4.748 ( 1.189 0.438 0.148) 1.275 4.816 ( -2.289 -1.748 3.855) 4.812 4.909 ( 3.709 0.201 -2.588) 4.527 4.944 ( -2.115 0.009 -2.086) 2.970 4.976 ( -6.737 2.339 5.795) 9.189 5.057 ( 1.070 0.433 -3.982) 4.146 5.146 ( -0.408 -5.855 -0.481) 5.889 5.483 ( 2.856 -0.904 -3.117) 4.323 5.528 ( -1.966 1.555 1.531) 2.937 5.587 ( -4.064 -0.994 2.523) 4.885 5.677 ( 0.217 0.098 -1.844) 1.859 5.822 ( -0.879 0.403 -1.530) 1.809 5.837 ( -0.040 2.941 -1.242) 3.193 5.843 ( 2.336 2.088 3.082) 4.395 5.906 ( 0.304 0.969 1.229) 1.594 6.023 ( 0.105 1.821 -4.892) 5.221 6.081 ( 0.710 -4.522 -1.766) 4.906 6.164 ( -0.682 1.873 1.782) 2.673 6.318 ( 0.465 -1.511 0.295) 1.609 6.557 ( 0.160 -1.036 3.860) 3.999 6.626 ( -1.177 1.091 1.763) 2.384 6.676 ( -0.328 0.841 -2.954) 3.089 6.831 ( -0.241 1.555 -1.575) 2.226 6.873 ( -0.229 -0.051 2.002) 2.016 6.893 ( 0.547 -0.945 1.361) 1.744 7.112 ( -0.004 0.496 0.161) 0.522 7.138 ( -0.063 -0.951 1.496) 1.774 7.196 ( -0.463 -1.509 -3.839) 4.151 7.444 ( 1.589 0.091 0.759) 1.764 8.190 ( 1.822 4.264 0.956) 4.735 8.406 ( 1.749 11.681 -2.089) 11.995 8.474 ( -1.737 5.540 1.146) 5.918 8.625 ( -0.464 0.655 -0.520) 0.956 8.956 ( 1.248 2.218 0.763) 2.657 9.179 ( -0.105 6.055 -0.827) 6.112 9.361 ( 0.496 9.440 0.376) 9.461 9.592 ( 0.064 -2.908 -0.817) 3.022 9.756 ( -0.425 3.591 0.316) 3.629 9.830 ( -0.221 6.153 -0.030) 6.157 9.910 ( -0.458 -7.753 0.549) 7.786 9.934 ( -0.027 -2.821 0.369) 2.845 10.122 ( 0.445 3.956 0.667) 4.036 10.193 ( -1.223 -0.072 -1.579) 1.998 10.307 ( -0.242 4.282 0.490) 4.316 10.404 ( -1.179 -3.855 0.819) 4.114 10.453 ( 0.766 0.703 -2.079) 2.325 10.560 ( 1.449 -1.982 2.039) 3.191 11.095 ( -0.673 2.378 -0.449) 2.512 11.275 ( 0.068 2.271 0.611) 2.352 11.409 ( 1.556 0.021 -0.662) 1.691 11.672 ( 2.585 -2.929 -1.306) 4.119 11.813 ( -0.664 -0.211 1.970) 2.089 11.866 ( -0.709 0.962 -1.150) 1.658 12.202 ( -0.261 -1.445 0.166) 1.478 12.212 ( 1.674 -0.000 0.597) 1.777 12.277 ( -0.538 -0.225 -0.311) 0.661 12.446 ( 1.153 -1.376 -0.417) 1.843 12.748 ( -0.688 0.364 0.667) 1.025 12.962 ( -1.629 2.279 -0.329) 2.820 13.213 ( 0.370 -1.443 -0.049) 1.491 13.246 ( -0.626 -0.321 -0.791) 1.058 13.367 ( 2.464 -0.097 0.878) 2.617 13.645 ( 1.469 -2.072 1.419) 2.910 13.824 ( 0.342 -1.539 -1.736) 2.345 14.004 ( 0.345 -1.024 -1.224) 1.632 14.438 ( -0.541 -0.042 0.819) 0.982 14.727 ( 0.259 0.490 -1.984) 2.060 14.876 ( -0.619 -1.274 3.655) 3.920 15.099 ( -1.725 0.747 -0.842) 2.060 16.378 ( -0.548 15.015 -1.180) 15.071 16.474 ( 2.273 14.938 1.992) 15.241 16.556 ( 2.337 7.739 0.944) 8.139 16.675 ( -0.846 -9.483 -0.991) 9.572 16.774 ( 2.107 -8.787 1.821) 9.218 16.867 ( 0.873 2.442 -4.777) 5.435 17.152 ( 0.118 -6.226 4.384) 7.616 17.644 ( -2.077 -3.685 -3.586) 5.546 18.446 ( 1.654 4.033 0.895) 4.450 18.542 ( -3.426 9.339 1.625) 10.080 18.752 ( 2.757 4.690 -1.792) 5.728 18.981 ( -4.754 5.679 3.042) 8.007 19.314 ( 1.254 -5.180 -2.965) 6.099 19.455 ( 3.308 -13.511 2.679) 14.165 19.488 ( -4.710 0.357 -0.095) 4.724 19.841 ( -7.009 -2.162 -2.401) 7.718 21.257 ( 3.921 -1.662 0.045) 4.259 21.361 ( 5.178 -1.550 -0.872) 5.475 21.831 ( -1.638 0.885 0.309) 1.887 21.940 ( -0.748 1.194 -0.052) 1.410 22.516 ( -0.034 -1.773 -0.815) 1.952 22.557 ( 1.591 -3.267 1.248) 3.842 22.758 ( -0.913 -1.554 0.810) 1.976 22.791 ( -1.831 -1.685 -0.345) 2.512 ======================= Grid point 31 (20/70) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 0.000 6.022 0.000) 6.022 1.976 ( 0.000 7.214 0.000) 7.214 2.008 ( 0.000 1.653 0.000) 1.653 2.099 ( 0.000 16.709 0.000) 16.709 2.130 ( 0.000 2.653 0.000) 2.653 2.312 ( 0.000 1.754 -0.000) 1.754 2.352 ( -0.000 5.264 0.000) 5.264 2.361 ( 0.000 -4.910 0.000) 4.910 2.386 ( 0.000 5.548 -0.000) 5.548 2.462 ( 0.000 4.128 0.000) 4.128 2.489 ( 0.000 0.656 -0.000) 0.656 2.554 ( 0.000 1.706 0.000) 1.706 2.617 ( 0.000 0.220 0.000) 0.220 2.714 ( 0.000 -0.529 0.000) 0.529 2.719 ( 0.000 1.501 -0.000) 1.501 2.812 ( 0.000 3.235 -0.000) 3.235 2.836 ( 0.000 -8.525 0.000) 8.525 2.955 ( 0.000 -3.543 0.000) 3.543 2.972 ( 0.000 -1.472 -0.000) 1.472 2.985 ( -0.000 -3.079 -0.000) 3.079 3.133 ( 0.000 -6.823 0.000) 6.823 3.247 ( -0.000 -7.066 0.000) 7.066 3.279 ( 0.000 -1.327 -0.000) 1.327 3.323 ( 0.000 -3.685 0.000) 3.685 3.480 ( 0.000 4.768 0.000) 4.768 3.492 ( -0.000 9.038 -0.000) 9.038 3.556 ( 0.000 3.317 -0.000) 3.317 3.557 ( -0.000 -1.500 0.000) 1.500 3.565 ( 0.000 0.333 -0.000) 0.333 3.596 ( 0.000 0.827 -0.000) 0.827 3.681 ( 0.000 -0.028 0.000) 0.028 3.745 ( 0.000 -11.011 0.000) 11.011 3.765 ( -0.000 -1.714 0.000) 1.714 3.826 ( -0.000 -2.263 -0.000) 2.263 3.831 ( 0.000 -1.795 0.000) 1.795 3.896 ( 0.000 0.429 0.000) 0.429 3.954 ( 0.000 2.010 0.000) 2.010 4.005 ( 0.000 3.595 0.000) 3.595 4.057 ( 0.000 -5.369 0.000) 5.369 4.105 ( 0.000 -0.211 -0.000) 0.211 4.178 ( 0.000 3.546 0.000) 3.546 4.195 ( 0.000 1.589 -0.000) 1.589 4.336 ( 0.000 -3.113 0.000) 3.113 4.379 ( 0.000 3.578 -0.000) 3.578 4.446 ( 0.000 -0.163 0.000) 0.163 4.447 ( -0.000 -2.076 -0.000) 2.076 4.467 ( 0.000 0.724 0.000) 0.724 4.483 ( 0.000 2.119 -0.000) 2.119 4.526 ( -0.000 1.789 -0.000) 1.789 4.592 ( 0.000 1.362 0.000) 1.362 4.692 ( -0.000 -2.643 0.000) 2.643 4.760 ( 0.000 0.718 0.000) 0.718 4.831 ( 0.000 2.661 0.000) 2.661 4.892 ( 0.000 -1.591 0.000) 1.591 4.936 ( -0.000 2.387 0.000) 2.387 4.943 ( 0.000 -0.524 -0.000) 0.524 5.043 ( 0.000 -0.224 0.000) 0.224 5.139 ( 0.000 -6.337 0.000) 6.337 5.503 ( 0.000 2.318 0.000) 2.318 5.516 ( 0.000 -1.582 0.000) 1.582 5.552 ( -0.000 -1.984 0.000) 1.984 5.668 ( 0.000 0.158 0.000) 0.158 5.803 ( 0.000 0.116 -0.000) 0.116 5.830 ( 0.000 2.365 0.000) 2.365 5.908 ( 0.000 4.601 0.000) 4.601 5.913 ( 0.000 1.569 -0.000) 1.569 5.972 ( 0.000 1.418 0.000) 1.418 6.079 ( 0.000 -5.996 -0.000) 5.996 6.172 ( 0.000 1.907 0.000) 1.907 6.323 ( 0.000 -1.280 0.000) 1.280 6.582 ( 0.000 -0.554 0.000) 0.554 6.629 ( 0.000 -0.048 0.000) 0.048 6.653 ( 0.000 1.632 -0.000) 1.632 6.818 ( 0.000 1.499 0.000) 1.499 6.882 ( 0.000 -0.323 0.000) 0.323 6.909 ( 0.000 -0.603 0.000) 0.603 7.113 ( 0.000 0.634 0.000) 0.634 7.152 ( 0.000 -2.099 0.000) 2.099 7.161 ( 0.000 -0.512 -0.000) 0.512 7.462 ( 0.000 0.007 0.000) 0.007 8.213 ( 0.000 4.404 0.000) 4.404 8.411 ( 0.000 11.787 -0.000) 11.787 8.464 ( -0.000 5.318 0.000) 5.318 8.617 ( 0.000 0.562 0.000) 0.562 8.972 ( 0.000 2.409 0.000) 2.409 9.173 ( 0.000 6.166 0.000) 6.166 9.368 ( 0.000 9.749 0.000) 9.749 9.588 ( 0.000 -2.877 0.000) 2.877 9.754 ( 0.000 3.804 0.000) 3.804 9.828 ( 0.000 5.893 0.000) 5.893 9.909 ( 0.000 -8.743 -0.000) 8.743 9.936 ( 0.000 -2.754 0.000) 2.754 10.130 ( 0.000 4.338 0.000) 4.338 10.174 ( 0.000 0.299 0.000) 0.299 10.308 ( 0.000 3.997 0.000) 3.997 10.400 ( 0.000 -4.453 -0.000) 4.453 10.445 ( 0.000 1.500 0.000) 1.500 10.584 ( 0.000 -2.066 0.000) 2.066 11.086 ( 0.000 2.474 0.000) 2.474 11.281 ( 0.000 2.600 0.000) 2.600 11.418 ( 0.000 -0.306 0.000) 0.306 11.688 ( 0.000 -3.611 0.000) 3.611 11.819 ( 0.000 -0.325 0.000) 0.325 11.852 ( 0.000 1.402 0.000) 1.402 12.201 ( 0.000 -1.452 0.000) 1.452 12.232 ( 0.000 0.008 -0.000) 0.008 12.269 ( 0.000 -0.110 0.000) 0.110 12.454 ( 0.000 -1.256 0.000) 1.256 12.746 ( 0.000 0.313 0.000) 0.313 12.945 ( 0.000 2.300 0.000) 2.300 13.215 ( 0.000 -1.656 0.000) 1.656 13.235 ( 0.000 0.153 0.000) 0.153 13.394 ( 0.000 0.506 0.000) 0.506 13.668 ( 0.000 -3.309 -0.000) 3.309 13.817 ( 0.000 -1.350 0.000) 1.350 14.001 ( 0.000 -0.889 0.000) 0.889 14.438 ( 0.000 -0.093 0.000) 0.093 14.717 ( 0.000 0.561 0.000) 0.561 14.892 ( 0.000 -1.645 0.000) 1.645 15.078 ( 0.000 1.167 0.000) 1.167 16.366 ( 0.000 15.150 0.000) 15.150 16.509 ( 0.000 14.700 -0.000) 14.700 16.583 ( 0.000 8.307 0.000) 8.307 16.659 ( 0.000 -10.415 0.000) 10.415 16.807 ( 0.000 -8.016 0.000) 8.016 16.844 ( 0.000 2.638 0.000) 2.638 17.178 ( -0.000 -6.462 0.000) 6.462 17.603 ( 0.000 -4.124 0.000) 4.124 18.483 ( -0.000 13.212 0.000) 13.212 18.504 ( 0.000 1.569 0.000) 1.569 18.769 ( 0.000 2.371 0.000) 2.371 18.952 ( 0.000 7.436 0.000) 7.436 19.322 ( 0.000 -5.565 0.000) 5.565 19.432 ( 0.000 2.748 0.000) 2.748 19.507 ( 0.000 -14.291 0.000) 14.291 19.761 ( 0.000 -3.852 0.000) 3.852 21.293 ( 0.000 -2.071 0.000) 2.071 21.402 ( 0.000 -1.849 0.000) 1.849 21.817 ( 0.000 1.233 0.000) 1.233 21.932 ( 0.000 1.293 0.000) 1.293 22.511 ( 0.000 -2.127 0.000) 2.127 22.583 ( 0.000 -3.101 0.000) 3.101 22.747 ( 0.000 -0.791 0.000) 0.791 22.776 ( 0.000 -2.025 0.000) 2.025 ======================= Grid point 63 (21/70) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( -5.176 0.000 21.801) 22.407 0.477 ( -2.346 0.000 26.479) 26.583 0.870 ( -10.604 0.000 45.860) 47.070 1.077 ( 7.166 0.000 -14.853) 16.491 1.389 ( 3.071 0.000 -22.517) 22.725 1.615 ( -4.658 0.000 11.978) 12.852 2.117 ( -1.806 0.000 2.432) 3.029 2.239 ( -3.175 0.000 9.046) 9.587 2.366 ( 9.748 0.000 -10.419) 14.268 2.378 ( 0.660 0.000 -2.378) 2.468 2.385 ( -12.541 0.000 4.268) 13.247 2.436 ( 0.492 0.000 -3.250) 3.287 2.480 ( 9.135 0.000 -16.377) 18.752 2.534 ( 3.115 0.000 -2.312) 3.879 2.622 ( -1.256 0.000 0.579) 1.383 2.810 ( -2.438 0.000 4.251) 4.900 2.845 ( -5.221 0.000 -2.450) 5.767 2.899 ( -4.688 0.000 1.053) 4.805 2.952 ( 3.100 0.000 -6.271) 6.995 3.097 ( 2.408 0.000 -5.411) 5.923 3.210 ( -4.572 0.000 -0.767) 4.636 3.261 ( 7.686 0.000 -3.370) 8.392 3.311 ( -2.959 0.000 3.650) 4.698 3.358 ( 1.104 0.000 0.499) 1.211 3.383 ( 1.806 0.000 2.935) 3.447 3.391 ( -1.501 0.000 3.250) 3.580 3.459 ( -2.054 0.000 -0.747) 2.186 3.483 ( -1.561 0.000 -0.322) 1.594 3.582 ( -4.149 0.000 1.233) 4.328 3.651 ( 0.410 0.000 5.307) 5.323 3.723 ( 3.576 0.000 -0.774) 3.659 3.822 ( 1.122 0.000 5.409) 5.524 3.858 ( 1.381 0.000 -0.178) 1.392 3.979 ( 3.127 0.000 -5.483) 6.312 4.044 ( 2.580 0.000 0.628) 2.655 4.061 ( -0.028 0.000 2.636) 2.636 4.133 ( -3.799 0.000 -2.109) 4.346 4.158 ( 4.398 0.000 2.737) 5.180 4.193 ( -3.697 0.000 -6.549) 7.520 4.202 ( -2.715 0.000 -0.208) 2.723 4.263 ( -0.109 0.000 2.391) 2.394 4.284 ( 12.539 0.000 1.103) 12.587 4.308 ( -1.371 0.000 2.803) 3.121 4.367 ( -4.149 0.000 -0.571) 4.188 4.424 ( -3.839 0.000 -4.184) 5.678 4.429 ( 3.002 0.000 4.348) 5.284 4.497 ( -2.915 0.000 6.570) 7.188 4.583 ( 1.128 0.000 3.589) 3.762 4.632 ( -0.489 0.000 -0.118) 0.504 4.692 ( -1.027 0.000 -3.290) 3.447 4.716 ( 8.224 0.000 -2.677) 8.648 4.740 ( -1.907 0.000 -0.583) 1.994 4.788 ( 0.612 0.000 -0.421) 0.743 4.809 ( 1.685 0.000 -1.367) 2.170 5.054 ( 11.721 0.000 4.540) 12.570 5.124 ( -1.407 0.000 -0.158) 1.416 5.257 ( 0.840 0.000 1.595) 1.803 5.309 ( -0.087 0.000 -1.341) 1.344 5.389 ( 2.197 0.000 2.189) 3.101 5.420 ( -0.122 0.000 -1.720) 1.724 5.489 ( 2.069 0.000 -4.575) 5.021 5.543 ( 2.886 0.000 -6.120) 6.766 5.684 ( -4.701 0.000 2.237) 5.206 5.737 ( 0.196 0.000 -0.539) 0.573 5.811 ( -2.102 0.000 3.653) 4.214 5.926 ( 2.277 0.000 -3.305) 4.014 6.112 ( -2.626 0.000 -2.146) 3.391 6.113 ( 2.831 0.000 -3.539) 4.532 6.196 ( 0.893 0.000 2.405) 2.566 6.256 ( -4.322 0.000 1.585) 4.604 6.397 ( -2.091 0.000 2.285) 3.097 6.520 ( -7.644 0.000 -4.662) 8.954 6.574 ( -2.480 0.000 6.233) 6.708 6.756 ( 6.564 0.000 -6.581) 9.295 6.893 ( -3.959 0.000 3.423) 5.234 6.957 ( -1.501 0.000 2.027) 2.522 7.088 ( -6.055 0.000 3.233) 6.864 7.122 ( 5.608 0.000 -7.254) 9.169 7.309 ( 1.669 0.000 2.393) 2.918 7.435 ( 5.014 0.000 3.551) 6.144 7.542 ( 1.798 0.000 -3.111) 3.593 7.563 ( -1.585 0.000 -3.188) 3.560 7.620 ( -3.462 0.000 2.953) 4.551 7.714 ( 1.085 0.000 -0.462) 1.180 8.382 ( 1.295 0.000 -0.487) 1.383 8.485 ( 0.521 0.000 -2.648) 2.699 8.670 ( -7.991 0.000 11.892) 14.327 9.056 ( 4.444 0.000 -6.447) 7.830 9.506 ( 0.879 0.000 -1.336) 1.599 9.547 ( -2.149 0.000 -4.107) 4.635 9.639 ( -2.560 0.000 4.136) 4.864 9.749 ( -4.630 0.000 5.134) 6.913 9.832 ( -0.533 0.000 -5.051) 5.080 9.895 ( 2.854 0.000 -2.103) 3.546 9.949 ( -1.486 0.000 0.868) 1.721 9.976 ( 0.063 0.000 0.025) 0.068 10.748 ( 1.517 0.000 -1.866) 2.404 10.789 ( 1.767 0.000 -2.609) 3.151 10.958 ( -7.934 0.000 6.645) 10.349 11.009 ( 1.813 0.000 2.288) 2.919 11.402 ( -33.515 0.000 3.336) 33.681 11.684 ( 6.585 0.000 -8.918) 11.086 11.824 ( -4.514 0.000 1.590) 4.786 11.950 ( 6.760 0.000 -4.963) 8.386 12.226 ( -4.489 0.000 5.015) 6.730 12.386 ( 0.007 0.000 -3.056) 3.056 12.425 ( -2.088 0.000 7.869) 8.141 12.665 ( -0.761 0.000 1.291) 1.498 12.709 ( 0.594 0.000 -5.065) 5.100 12.730 ( 0.854 0.000 -1.000) 1.314 13.294 ( 6.421 0.000 5.344) 8.354 13.416 ( -8.333 0.000 3.163) 8.913 13.435 ( 1.606 0.000 -2.325) 2.826 13.725 ( 0.751 0.000 -10.535) 10.562 14.085 ( -0.918 0.000 0.964) 1.331 14.147 ( 1.546 0.000 -2.307) 2.777 14.349 ( -3.211 0.000 6.529) 7.276 14.541 ( 2.052 0.000 -3.318) 3.901 14.677 ( -11.680 0.000 8.232) 14.289 14.988 ( 36.847 0.000 -5.854) 37.310 15.562 ( 29.394 0.000 1.479) 29.431 15.663 ( -2.032 0.000 -2.934) 3.569 16.359 ( 2.534 0.000 3.542) 4.355 16.376 ( -4.066 0.000 3.201) 5.175 16.801 ( 0.309 0.000 0.081) 0.319 16.890 ( 2.246 0.000 -3.632) 4.271 17.212 ( 12.070 0.000 1.641) 12.181 17.276 ( -1.686 0.000 -1.350) 2.160 18.095 ( 2.553 0.000 3.261) 4.142 18.292 ( -32.860 0.000 -6.837) 33.564 18.527 ( -61.149 0.000 5.483) 61.394 18.641 ( 10.146 0.000 -0.941) 10.189 19.345 ( -3.366 0.000 1.676) 3.760 19.605 ( 6.805 0.000 -13.414) 15.041 20.160 ( 5.921 0.000 12.578) 13.902 20.428 ( -28.090 0.000 -2.777) 28.227 21.293 ( 10.760 0.000 1.489) 10.862 21.350 ( -1.942 0.000 -0.984) 2.177 21.909 ( 1.339 0.000 0.965) 1.650 21.959 ( -0.838 0.000 -1.131) 1.408 22.858 ( -2.915 0.000 1.208) 3.155 22.923 ( 2.536 0.000 -1.624) 3.011 23.512 ( -3.833 0.000 2.159) 4.399 23.607 ( 22.996 0.000 -2.001) 23.083 ======================= Grid point 64 (22/70) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 6.720 0.000 18.544) 19.724 0.830 ( 9.340 0.000 18.299) 20.544 1.084 ( 13.718 0.000 -15.578) 20.757 1.197 ( 4.379 0.000 0.221) 4.384 1.310 ( 9.094 0.000 6.841) 11.380 1.613 ( -8.953 0.000 11.579) 14.637 2.151 ( 4.953 0.000 -1.699) 5.236 2.185 ( -4.453 0.000 -1.765) 4.790 2.315 ( -11.332 0.000 9.551) 14.820 2.318 ( -2.473 0.000 -5.911) 6.407 2.358 ( -4.386 0.000 -2.094) 4.860 2.394 ( 0.963 0.000 -11.668) 11.707 2.426 ( 8.548 0.000 -8.247) 11.878 2.614 ( 7.784 0.000 -3.801) 8.663 2.634 ( 1.737 0.000 3.368) 3.790 2.730 ( -6.151 0.000 0.978) 6.228 2.846 ( -2.331 0.000 5.263) 5.756 2.884 ( -1.749 0.000 6.061) 6.309 2.917 ( 1.967 0.000 -7.863) 8.106 3.038 ( 0.624 0.000 -6.658) 6.688 3.190 ( 2.824 0.000 -0.117) 2.826 3.276 ( -4.290 0.000 2.647) 5.041 3.327 ( -1.144 0.000 1.820) 2.150 3.355 ( 5.131 0.000 -3.822) 6.398 3.398 ( -2.585 0.000 2.591) 3.660 3.401 ( 0.394 0.000 -0.738) 0.836 3.457 ( -5.364 0.000 4.946) 7.296 3.514 ( 3.875 0.000 -0.159) 3.878 3.580 ( 4.123 0.000 0.730) 4.187 3.681 ( -4.959 0.000 4.876) 6.955 3.742 ( -3.141 0.000 -1.197) 3.361 3.829 ( 3.359 0.000 -6.315) 7.153 3.897 ( -5.707 0.000 2.599) 6.271 3.902 ( 1.383 0.000 5.889) 6.050 4.002 ( -5.336 0.000 -5.871) 7.934 4.074 ( -2.985 0.000 -2.868) 4.139 4.113 ( -2.106 0.000 0.175) 2.113 4.121 ( 1.191 0.000 4.887) 5.030 4.144 ( 3.520 0.000 -5.769) 6.758 4.200 ( -5.845 0.000 -3.077) 6.605 4.266 ( 1.473 0.000 2.186) 2.636 4.288 ( -4.167 0.000 -0.602) 4.210 4.298 ( -1.995 0.000 5.802) 6.135 4.387 ( 0.056 0.000 -0.592) 0.594 4.403 ( 1.045 0.000 0.590) 1.200 4.486 ( 3.140 0.000 -0.235) 3.149 4.519 ( -4.295 0.000 3.965) 5.846 4.549 ( -5.147 0.000 -3.192) 6.057 4.602 ( 0.284 0.000 0.497) 0.573 4.678 ( 0.703 0.000 -0.116) 0.712 4.721 ( 3.592 0.000 -1.749) 3.995 4.789 ( 1.648 0.000 0.572) 1.744 4.809 ( 2.866 0.000 -0.376) 2.890 4.817 ( 0.802 0.000 -0.667) 1.043 5.096 ( -1.253 0.000 0.137) 1.261 5.192 ( 4.054 0.000 -4.395) 5.979 5.290 ( 0.729 0.000 1.270) 1.464 5.313 ( 2.660 0.000 -2.137) 3.412 5.419 ( 2.042 0.000 -0.822) 2.201 5.434 ( -0.152 0.000 -1.104) 1.114 5.513 ( 2.348 0.000 -6.679) 7.080 5.518 ( 7.612 0.000 -4.654) 8.922 5.660 ( 0.329 0.000 0.917) 0.974 5.769 ( 2.383 0.000 1.001) 2.585 5.797 ( -3.887 0.000 2.878) 4.836 5.922 ( 1.256 0.000 -3.302) 3.533 6.056 ( -2.572 0.000 -0.104) 2.574 6.135 ( 4.467 0.000 -3.147) 5.464 6.190 ( -3.716 0.000 0.759) 3.793 6.262 ( 1.044 0.000 5.598) 5.695 6.393 ( -1.585 0.000 2.439) 2.909 6.407 ( -5.687 0.000 3.500) 6.678 6.587 ( -3.449 0.000 4.579) 5.732 6.781 ( 5.589 0.000 -7.368) 9.248 6.887 ( -1.584 0.000 3.055) 3.441 6.965 ( -1.140 0.000 3.349) 3.538 7.052 ( -4.088 0.000 5.091) 6.529 7.130 ( 5.419 0.000 -7.480) 9.236 7.321 ( -0.905 0.000 2.063) 2.253 7.481 ( -0.487 0.000 -5.239) 5.262 7.548 ( 2.116 0.000 -3.466) 4.061 7.563 ( 3.917 0.000 1.416) 4.165 7.592 ( -3.821 0.000 3.082) 4.909 7.718 ( -0.286 0.000 0.008) 0.286 8.402 ( 1.141 0.000 0.098) 1.145 8.466 ( 0.965 0.000 -3.072) 3.220 8.672 ( -7.703 0.000 11.678) 13.990 9.059 ( 4.785 0.000 -6.578) 8.134 9.488 ( -0.981 0.000 -0.357) 1.044 9.506 ( 0.596 0.000 -0.608) 0.852 9.641 ( -2.905 0.000 3.980) 4.928 9.735 ( -4.148 0.000 4.493) 6.115 9.833 ( 5.235 0.000 -5.649) 7.702 9.917 ( 2.102 0.000 -0.801) 2.250 9.946 ( 0.036 0.000 0.380) 0.382 9.988 ( 0.883 0.000 0.894) 1.257 10.678 ( -9.608 0.000 5.867) 11.258 10.787 ( 1.464 0.000 -2.518) 2.913 10.822 ( -7.443 0.000 4.471) 8.682 11.036 ( -2.512 0.000 2.360) 3.447 11.312 ( -2.578 0.000 8.986) 9.349 11.748 ( 10.004 0.000 -5.240) 11.293 11.787 ( -1.764 0.000 0.081) 1.766 12.018 ( 5.656 0.000 -2.463) 6.169 12.224 ( -2.047 0.000 5.878) 6.224 12.377 ( 0.894 0.000 -2.156) 2.334 12.493 ( -1.081 0.000 7.827) 7.902 12.670 ( -0.632 0.000 1.612) 1.732 12.672 ( 3.096 0.000 -6.483) 7.184 12.740 ( 1.421 0.000 -0.412) 1.479 13.264 ( -6.533 0.000 5.362) 8.452 13.393 ( -4.059 0.000 -4.347) 5.947 13.507 ( 2.677 0.000 5.478) 6.097 13.604 ( 0.573 0.000 -9.333) 9.350 14.079 ( -0.954 0.000 0.890) 1.304 14.149 ( 1.397 0.000 -1.745) 2.235 14.325 ( -9.088 0.000 4.292) 10.050 14.528 ( -8.389 0.000 0.413) 8.399 14.529 ( 1.549 0.000 -3.731) 4.040 15.051 ( -2.055 0.000 -3.222) 3.822 15.624 ( 2.977 0.000 -4.290) 5.222 15.959 ( 19.518 0.000 -14.732) 24.454 16.301 ( -6.805 0.000 0.732) 6.844 16.408 ( -1.833 0.000 4.266) 4.643 16.815 ( 0.941 0.000 0.393) 1.019 16.865 ( 0.186 0.000 -3.663) 3.667 17.250 ( 1.214 0.000 -2.937) 3.178 17.341 ( -15.489 0.000 7.083) 17.031 17.605 ( -6.455 0.000 9.598) 11.567 18.104 ( -6.045 0.000 5.771) 8.357 18.418 ( 0.256 0.000 0.396) 0.472 18.769 ( -0.992 0.000 6.248) 6.326 19.410 ( 4.609 0.000 3.163) 5.590 19.744 ( 18.384 0.000 -3.761) 18.765 20.189 ( -7.709 0.000 -0.349) 7.717 20.508 ( 15.142 0.000 14.999) 21.313 21.345 ( 5.411 0.000 -2.213) 5.846 21.441 ( 8.928 0.000 -1.711) 9.091 21.906 ( -3.236 0.000 -1.833) 3.719 21.935 ( -0.303 0.000 1.113) 1.154 22.816 ( -3.231 0.000 1.578) 3.596 22.966 ( 4.236 0.000 -1.270) 4.422 23.337 ( -16.262 0.000 -4.940) 16.995 23.591 ( -8.221 0.000 -0.709) 8.252 ======================= Grid point 65 (23/70) ======================= q-point: ( 0.33 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 1.396 0.000 18.948) 19.000 0.974 ( 7.163 0.000 -14.423) 16.104 1.244 ( 5.392 0.000 10.234) 11.568 1.258 ( 17.420 0.000 -14.631) 22.749 1.485 ( 4.907 0.000 -6.358) 8.031 1.668 ( 1.010 0.000 9.599) 9.652 2.126 ( -4.006 0.000 2.807) 4.892 2.147 ( -10.298 0.000 0.322) 10.303 2.189 ( -13.183 0.000 9.460) 16.227 2.229 ( 13.128 0.000 -14.090) 19.258 2.279 ( -4.927 0.000 3.098) 5.820 2.283 ( -0.506 0.000 -8.559) 8.574 2.496 ( 7.363 0.000 -4.359) 8.557 2.635 ( -2.528 0.000 -1.907) 3.166 2.711 ( 3.436 0.000 0.154) 3.439 2.711 ( 0.270 0.000 3.667) 3.677 2.825 ( -3.735 0.000 1.564) 4.050 2.881 ( 2.203 0.000 -2.227) 3.132 2.933 ( -1.669 0.000 6.064) 6.289 3.007 ( 5.122 0.000 -8.107) 9.589 3.188 ( -3.302 0.000 -2.327) 4.040 3.296 ( 2.698 0.000 5.340) 5.983 3.320 ( -4.425 0.000 -3.481) 5.630 3.352 ( 2.174 0.000 0.474) 2.225 3.410 ( -1.492 0.000 5.788) 5.977 3.416 ( 1.350 0.000 2.128) 2.520 3.423 ( -5.958 0.000 6.789) 9.033 3.563 ( 2.470 0.000 -1.574) 2.929 3.599 ( -7.193 0.000 4.199) 8.329 3.632 ( -3.861 0.000 -4.063) 5.605 3.669 ( 1.850 0.000 0.272) 1.870 3.811 ( -2.370 0.000 -0.428) 2.408 3.860 ( 5.895 0.000 -5.842) 8.300 3.897 ( -5.716 0.000 -8.678) 10.391 3.952 ( 2.682 0.000 -1.342) 2.999 3.960 ( -0.952 0.000 2.705) 2.868 4.089 ( 0.356 0.000 -2.022) 2.053 4.123 ( -0.097 0.000 -1.524) 1.527 4.170 ( -0.641 0.000 6.049) 6.083 4.200 ( 2.698 0.000 2.168) 3.461 4.215 ( -3.515 0.000 -1.236) 3.726 4.287 ( -1.885 0.000 2.089) 2.814 4.339 ( -1.518 0.000 0.628) 1.643 4.357 ( 0.251 0.000 0.688) 0.732 4.380 ( -3.824 0.000 0.474) 3.853 4.436 ( -4.038 0.000 -1.270) 4.233 4.470 ( -1.590 0.000 -2.357) 2.843 4.527 ( 1.187 0.000 0.862) 1.467 4.642 ( 0.281 0.000 3.667) 3.678 4.671 ( -0.580 0.000 -0.484) 0.756 4.786 ( 2.365 0.000 0.210) 2.374 4.804 ( 0.428 0.000 -0.694) 0.815 4.824 ( -0.414 0.000 1.217) 1.285 4.889 ( 6.755 0.000 -0.706) 6.792 5.080 ( -0.332 0.000 -0.865) 0.926 5.181 ( 2.536 0.000 -5.895) 6.417 5.317 ( 0.888 0.000 1.529) 1.768 5.344 ( 2.435 0.000 0.098) 2.437 5.409 ( -2.089 0.000 0.845) 2.253 5.454 ( 1.174 0.000 -1.011) 1.549 5.482 ( 3.516 0.000 -4.534) 5.738 5.563 ( 2.175 0.000 -0.680) 2.279 5.695 ( 4.620 0.000 -3.224) 5.633 5.744 ( -4.503 0.000 2.410) 5.107 5.827 ( 1.377 0.000 1.734) 2.214 5.892 ( 0.862 0.000 -4.199) 4.286 6.026 ( -3.813 0.000 4.012) 5.535 6.178 ( 3.207 0.000 -1.426) 3.510 6.179 ( 1.165 0.000 1.126) 1.620 6.318 ( -1.622 0.000 3.792) 4.124 6.378 ( -4.817 0.000 5.779) 7.523 6.406 ( 0.619 0.000 1.484) 1.608 6.557 ( -4.868 0.000 2.367) 5.413 6.771 ( 4.268 0.000 -8.670) 9.663 6.897 ( -0.929 0.000 2.109) 2.305 6.983 ( -2.063 0.000 3.749) 4.279 7.055 ( -2.092 0.000 4.113) 4.615 7.135 ( 5.697 0.000 -7.918) 9.755 7.331 ( -0.519 0.000 1.434) 1.525 7.453 ( 4.160 0.000 -4.593) 6.197 7.544 ( 0.781 0.000 -1.045) 1.304 7.557 ( -3.964 0.000 3.398) 5.221 7.616 ( 0.491 0.000 1.480) 1.560 7.707 ( -1.113 0.000 0.217) 1.134 8.414 ( 0.340 0.000 -0.345) 0.484 8.452 ( 1.304 0.000 -2.486) 2.808 8.677 ( -7.453 0.000 11.293) 13.531 9.064 ( 4.806 0.000 -6.787) 8.316 9.494 ( 1.861 0.000 -0.629) 1.964 9.515 ( 1.066 0.000 -0.284) 1.103 9.625 ( -3.830 0.000 3.165) 4.969 9.702 ( -5.255 0.000 3.974) 6.589 9.850 ( 4.967 0.000 -6.809) 8.429 9.944 ( -0.472 0.000 0.817) 0.944 9.954 ( 1.664 0.000 -0.181) 1.674 10.017 ( 0.965 0.000 0.986) 1.379 10.610 ( -7.276 0.000 5.612) 9.189 10.782 ( 2.017 0.000 -3.448) 3.994 10.789 ( -2.715 0.000 3.774) 4.649 10.982 ( -3.453 0.000 -1.809) 3.898 11.373 ( -2.854 0.000 9.368) 9.793 11.770 ( -0.557 0.000 0.439) 0.710 11.846 ( 6.821 0.000 -3.442) 7.640 12.038 ( -0.512 0.000 -1.771) 1.844 12.295 ( 0.003 0.000 6.002) 6.002 12.363 ( 0.438 0.000 -1.838) 1.890 12.531 ( -2.722 0.000 3.440) 4.387 12.663 ( 3.528 0.000 -5.228) 6.307 12.681 ( 0.513 0.000 0.406) 0.654 12.760 ( 0.748 0.000 -0.546) 0.926 13.226 ( -5.335 0.000 4.766) 7.154 13.231 ( -2.138 0.000 -7.804) 8.091 13.582 ( -0.494 0.000 4.670) 4.696 13.591 ( 2.136 0.000 1.576) 2.654 14.075 ( -0.797 0.000 1.055) 1.322 14.151 ( 1.255 0.000 -1.849) 2.235 14.193 ( -5.099 0.000 0.006) 5.099 14.481 ( -1.043 0.000 2.240) 2.471 14.513 ( 1.973 0.000 -4.074) 4.527 14.977 ( -2.005 0.000 -3.764) 4.264 15.660 ( 4.743 0.000 -1.645) 5.021 15.993 ( 3.787 0.000 -9.350) 10.088 16.204 ( -4.773 0.000 0.369) 4.787 16.408 ( -0.117 0.000 -1.518) 1.523 16.834 ( 0.752 0.000 0.183) 0.774 16.836 ( 1.061 0.000 -2.703) 2.904 17.163 ( -15.295 0.000 12.426) 19.706 17.246 ( 2.306 0.000 -2.817) 3.641 17.780 ( 13.083 0.000 0.347) 13.087 18.060 ( -6.677 0.000 5.451) 8.620 18.431 ( -0.256 0.000 1.925) 1.942 18.768 ( -5.438 0.000 4.839) 7.280 19.518 ( 1.914 0.000 4.596) 4.978 19.955 ( 8.452 0.000 -1.932) 8.670 20.102 ( -2.945 0.000 0.879) 3.073 20.754 ( -0.537 0.000 0.306) 0.618 21.567 ( 15.813 0.000 7.328) 17.428 21.574 ( 9.226 0.000 -1.014) 9.282 21.822 ( -4.971 0.000 -0.641) 5.012 21.894 ( -5.304 0.000 -1.156) 5.428 22.816 ( -1.039 0.000 3.581) 3.728 22.953 ( -11.556 0.000 -11.299) 16.162 23.018 ( 4.399 0.000 -2.932) 5.287 23.438 ( -8.173 0.000 -2.125) 8.445 ======================= Grid point 66 (24/70) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 10.319 0.000 -10.285) 14.569 1.012 ( -17.651 0.000 10.417) 20.496 1.247 ( -14.801 0.000 2.779) 15.060 1.307 ( -0.187 0.000 -10.246) 10.248 1.519 ( 20.042 0.000 -13.094) 23.940 1.750 ( -4.497 0.000 2.903) 5.353 2.033 ( -12.661 0.000 10.580) 16.500 2.093 ( 1.686 0.000 4.746) 5.037 2.177 ( 2.626 0.000 -7.550) 7.994 2.177 ( -0.509 0.000 3.957) 3.989 2.265 ( -2.248 0.000 3.197) 3.908 2.309 ( 9.861 0.000 -8.274) 12.873 2.534 ( 1.917 0.000 -4.410) 4.809 2.588 ( 0.684 0.000 -2.384) 2.480 2.687 ( -1.397 0.000 0.133) 1.404 2.786 ( 8.226 0.000 -3.063) 8.778 2.798 ( -3.620 0.000 1.328) 3.856 2.938 ( 3.882 0.000 1.536) 4.175 2.941 ( -3.960 0.000 3.876) 5.541 3.011 ( 4.526 0.000 -5.588) 7.191 3.114 ( -1.039 0.000 -2.928) 3.107 3.228 ( -0.294 0.000 -4.179) 4.190 3.379 ( -0.252 0.000 1.273) 1.297 3.398 ( 1.436 0.000 1.190) 1.865 3.425 ( -5.003 0.000 9.883) 11.077 3.464 ( -3.705 0.000 11.212) 11.808 3.483 ( 1.929 0.000 4.519) 4.913 3.543 ( -2.589 0.000 4.342) 5.056 3.546 ( 0.603 0.000 -2.086) 2.172 3.602 ( 2.082 0.000 -0.991) 2.306 3.675 ( -1.185 0.000 -0.596) 1.326 3.735 ( -2.872 0.000 -6.958) 7.527 3.752 ( -1.874 0.000 -3.492) 3.964 3.912 ( 3.158 0.000 -1.424) 3.465 3.984 ( 2.723 0.000 -0.548) 2.778 4.002 ( 7.522 0.000 -6.928) 10.227 4.102 ( 1.111 0.000 -0.262) 1.142 4.105 ( -1.903 0.000 1.297) 2.303 4.143 ( -3.817 0.000 0.770) 3.894 4.201 ( -3.055 0.000 4.761) 5.657 4.254 ( -3.354 0.000 -4.293) 5.448 4.277 ( 3.974 0.000 0.720) 4.039 4.293 ( -0.959 0.000 2.344) 2.532 4.336 ( -1.541 0.000 2.569) 2.995 4.389 ( 0.739 0.000 0.668) 0.996 4.425 ( 1.015 0.000 -3.837) 3.969 4.433 ( 2.367 0.000 3.203) 3.983 4.534 ( -0.593 0.000 -1.031) 1.190 4.668 ( -1.794 0.000 2.808) 3.332 4.673 ( 1.104 0.000 0.763) 1.342 4.790 ( -0.986 0.000 -0.763) 1.247 4.800 ( -0.155 0.000 -0.196) 0.250 4.832 ( -0.448 0.000 1.390) 1.461 4.934 ( 0.434 0.000 -2.521) 2.558 5.064 ( -0.840 0.000 -0.932) 1.254 5.156 ( 3.159 0.000 -6.771) 7.472 5.334 ( -1.839 0.000 1.754) 2.541 5.377 ( 0.481 0.000 0.552) 0.732 5.389 ( -2.000 0.000 1.819) 2.703 5.449 ( 2.210 0.000 -1.418) 2.625 5.520 ( 3.460 0.000 -2.177) 4.088 5.598 ( 2.117 0.000 1.259) 2.464 5.717 ( 3.152 0.000 -5.398) 6.251 5.723 ( -1.811 0.000 3.722) 4.139 5.849 ( -0.328 0.000 0.610) 0.693 5.883 ( 3.085 0.000 -2.703) 4.101 6.033 ( -2.347 0.000 7.223) 7.595 6.190 ( -0.612 0.000 -0.708) 0.936 6.233 ( 2.905 0.000 0.941) 3.054 6.294 ( -1.948 0.000 -2.042) 2.822 6.375 ( -4.926 0.000 8.585) 9.898 6.433 ( 1.473 0.000 -0.368) 1.518 6.500 ( -5.537 0.000 4.229) 6.967 6.736 ( 3.832 0.000 -9.252) 10.014 6.898 ( -1.593 0.000 1.702) 2.331 6.977 ( -2.587 0.000 2.577) 3.652 7.068 ( -1.714 0.000 3.514) 3.910 7.135 ( 5.221 0.000 -8.444) 9.927 7.329 ( -0.876 0.000 0.151) 0.889 7.488 ( 4.943 0.000 -4.237) 6.510 7.541 ( -2.595 0.000 3.538) 4.387 7.565 ( 0.740 0.000 2.716) 2.815 7.627 ( -0.908 0.000 1.645) 1.879 7.693 ( -0.687 0.000 0.291) 0.746 8.405 ( -0.120 0.000 -1.346) 1.352 8.457 ( 2.079 0.000 -1.568) 2.604 8.678 ( -7.710 0.000 11.108) 13.521 9.065 ( 4.599 0.000 -6.885) 8.279 9.525 ( 3.129 0.000 -1.342) 3.405 9.527 ( 0.953 0.000 -1.162) 1.503 9.603 ( -2.909 0.000 3.830) 4.810 9.670 ( -4.502 0.000 5.494) 7.103 9.843 ( 3.520 0.000 -6.556) 7.441 9.920 ( -0.845 0.000 -2.550) 2.686 9.977 ( -0.028 0.000 1.298) 1.298 10.034 ( 0.187 0.000 0.204) 0.277 10.546 ( -7.246 0.000 4.239) 8.395 10.779 ( 3.270 0.000 -4.729) 5.749 10.807 ( -0.767 0.000 3.866) 3.941 10.921 ( -0.253 0.000 -2.628) 2.641 11.431 ( -4.565 0.000 12.554) 13.358 11.780 ( 0.260 0.000 1.509) 1.531 11.890 ( 4.643 0.000 -5.555) 7.240 11.972 ( -1.977 0.000 -5.898) 6.221 12.290 ( -4.220 0.000 1.196) 4.387 12.359 ( 1.331 0.000 -1.405) 1.935 12.494 ( -4.214 0.000 1.441) 4.454 12.665 ( 1.929 0.000 -2.576) 3.218 12.694 ( 1.927 0.000 -1.672) 2.551 12.747 ( 0.207 0.000 -1.877) 1.888 13.186 ( -4.824 0.000 2.727) 5.541 13.235 ( 6.107 0.000 -0.289) 6.114 13.598 ( -2.932 0.000 3.697) 4.718 13.666 ( 2.318 0.000 4.023) 4.643 14.077 ( -0.601 0.000 1.289) 1.422 14.149 ( 1.069 0.000 -2.030) 2.295 14.202 ( 0.143 0.000 6.626) 6.627 14.506 ( 2.941 0.000 -4.509) 5.384 14.517 ( 0.045 0.000 5.894) 5.894 14.895 ( -0.380 0.000 -8.174) 8.183 15.716 ( 1.690 0.000 1.174) 2.057 15.919 ( 0.229 0.000 -9.344) 9.347 16.178 ( 0.216 0.000 2.110) 2.121 16.366 ( 1.091 0.000 -7.148) 7.231 16.838 ( -0.154 0.000 -0.326) 0.360 16.840 ( 1.955 0.000 -1.353) 2.377 17.095 ( -8.748 0.000 9.573) 12.968 17.267 ( 3.282 0.000 -1.523) 3.619 18.003 ( -5.889 0.000 2.636) 6.452 18.017 ( 11.282 0.000 6.464) 13.002 18.464 ( -1.218 0.000 7.540) 7.637 18.713 ( -4.610 0.000 0.177) 4.613 19.545 ( -4.512 0.000 4.439) 6.329 19.959 ( 0.103 0.000 -8.323) 8.324 20.121 ( 0.124 0.000 5.900) 5.901 20.595 ( -4.503 0.000 -15.649) 16.284 21.699 ( -10.153 0.000 -0.429) 10.162 21.709 ( 5.544 0.000 -0.557) 5.571 21.751 ( -2.149 0.000 2.683) 3.437 21.845 ( 4.202 0.000 0.812) 4.280 22.750 ( 0.468 0.000 0.707) 0.848 23.000 ( 8.810 0.000 7.067) 11.294 23.030 ( 2.659 0.000 -5.716) 6.304 23.276 ( -4.748 0.000 -8.046) 9.342 ======================= Grid point 67 (25/70) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -19.636 0.000 -5.823) 20.481 0.892 ( -23.608 0.000 0.284) 23.610 1.083 ( -26.309 0.000 10.914) 28.483 1.109 ( 9.567 0.000 -1.058) 9.625 1.590 ( -9.436 0.000 -4.188) 10.324 1.673 ( 8.766 0.000 -8.670) 12.330 2.024 ( -1.542 0.000 10.349) 10.463 2.130 ( -1.469 0.000 3.119) 3.447 2.229 ( 0.650 0.000 0.895) 1.106 2.263 ( 4.489 0.000 -2.080) 4.948 2.282 ( 6.634 0.000 2.615) 7.131 2.368 ( 9.636 0.000 -9.160) 13.295 2.496 ( 1.678 0.000 -4.047) 4.381 2.593 ( 2.244 0.000 -1.749) 2.845 2.715 ( -1.230 0.000 1.490) 1.932 2.753 ( -0.047 0.000 2.037) 2.038 2.906 ( 10.625 0.000 -5.330) 11.887 2.916 ( -4.607 0.000 6.357) 7.851 2.991 ( 4.224 0.000 -7.658) 8.745 3.036 ( -1.039 0.000 6.686) 6.766 3.100 ( 1.778 0.000 -0.547) 1.861 3.175 ( 1.392 0.000 -6.806) 6.947 3.362 ( -2.824 0.000 0.730) 2.917 3.409 ( -0.678 0.000 -0.922) 1.145 3.415 ( -4.641 0.000 8.435) 9.628 3.498 ( -1.748 0.000 -3.941) 4.311 3.531 ( -3.232 0.000 6.983) 7.695 3.577 ( -2.227 0.000 6.250) 6.635 3.609 ( -3.099 0.000 -2.951) 4.280 3.619 ( 4.356 0.000 2.043) 4.811 3.644 ( 3.817 0.000 -0.695) 3.880 3.679 ( -0.730 0.000 2.311) 2.423 3.696 ( 1.478 0.000 -4.822) 5.043 3.914 ( -0.650 0.000 -1.300) 1.454 4.010 ( 2.486 0.000 -4.913) 5.506 4.023 ( 7.577 0.000 -8.406) 11.317 4.075 ( -2.726 0.000 -0.169) 2.731 4.080 ( -0.307 0.000 -0.821) 0.876 4.141 ( -4.113 0.000 -1.694) 4.449 4.154 ( 1.459 0.000 4.707) 4.928 4.240 ( 0.935 0.000 2.050) 2.253 4.320 ( 0.492 0.000 3.575) 3.608 4.326 ( 1.340 0.000 2.021) 2.425 4.403 ( 2.844 0.000 1.112) 3.054 4.418 ( 1.979 0.000 0.909) 2.178 4.435 ( 3.739 0.000 -1.606) 4.069 4.489 ( -1.109 0.000 -2.229) 2.490 4.513 ( 2.587 0.000 1.207) 2.855 4.655 ( -1.722 0.000 0.935) 1.959 4.718 ( 1.776 0.000 1.855) 2.568 4.766 ( -1.244 0.000 0.171) 1.256 4.786 ( -1.218 0.000 0.060) 1.220 4.834 ( -1.017 0.000 0.756) 1.267 4.873 ( -4.180 0.000 -1.472) 4.432 5.047 ( 0.718 0.000 -0.061) 0.720 5.126 ( 2.495 0.000 -8.162) 8.535 5.307 ( -3.034 0.000 1.167) 3.251 5.371 ( -0.957 0.000 0.230) 0.985 5.381 ( -1.088 0.000 0.195) 1.105 5.470 ( -0.544 0.000 1.049) 1.182 5.540 ( 4.157 0.000 -4.842) 6.382 5.653 ( 5.634 0.000 -11.525) 12.829 5.660 ( -3.776 0.000 4.180) 5.633 5.753 ( -0.382 0.000 3.928) 3.947 5.829 ( -1.490 0.000 -1.515) 2.125 5.916 ( 3.500 0.000 -2.427) 4.259 6.117 ( 0.064 0.000 10.191) 10.191 6.150 ( -2.631 0.000 -0.413) 2.663 6.232 ( -0.129 0.000 -5.229) 5.231 6.256 ( 0.174 0.000 -1.616) 1.625 6.429 ( -1.398 0.000 10.828) 10.918 6.433 ( -1.604 0.000 0.793) 1.789 6.495 ( -2.448 0.000 6.146) 6.615 6.704 ( 4.403 0.000 -7.750) 8.913 6.887 ( -2.312 0.000 2.487) 3.396 6.967 ( -2.128 0.000 2.689) 3.429 7.073 ( -3.156 0.000 4.389) 5.406 7.121 ( 4.915 0.000 -8.607) 9.912 7.309 ( -0.360 0.000 -1.702) 1.740 7.515 ( 4.074 0.000 -3.997) 5.707 7.542 ( -1.905 0.000 2.319) 3.001 7.606 ( 0.392 0.000 2.025) 2.063 7.632 ( -0.815 0.000 1.917) 2.083 7.691 ( 0.155 0.000 -0.044) 0.161 8.386 ( 0.114 0.000 -1.760) 1.763 8.481 ( 2.519 0.000 -1.176) 2.780 8.673 ( -8.043 0.000 11.383) 13.938 9.061 ( 4.350 0.000 -6.827) 8.095 9.519 ( 0.430 0.000 -1.800) 1.850 9.561 ( 3.671 0.000 -2.636) 4.520 9.616 ( -1.848 0.000 4.641) 4.996 9.686 ( -2.174 0.000 7.028) 7.357 9.843 ( 2.952 0.000 -0.925) 3.094 9.879 ( 0.783 0.000 -3.710) 3.792 9.982 ( -1.141 0.000 1.341) 1.761 10.029 ( -0.355 0.000 -0.628) 0.721 10.476 ( -8.204 0.000 7.224) 10.932 10.783 ( 3.230 0.000 -4.294) 5.373 10.837 ( -0.125 0.000 2.580) 2.583 10.917 ( 2.419 0.000 -1.657) 2.932 11.527 ( -4.704 0.000 20.265) 20.804 11.805 ( 0.093 0.000 2.166) 2.168 11.833 ( -0.404 0.000 -10.239) 10.247 11.911 ( 3.971 0.000 -6.649) 7.745 12.247 ( -3.599 0.000 3.442) 4.980 12.380 ( 2.538 0.000 -0.052) 2.539 12.438 ( -5.400 0.000 3.194) 6.274 12.669 ( 0.331 0.000 -0.122) 0.353 12.704 ( 2.755 0.000 -3.584) 4.520 12.735 ( 0.447 0.000 -1.278) 1.354 13.118 ( -4.890 0.000 -1.209) 5.037 13.344 ( 6.351 0.000 -0.642) 6.384 13.590 ( -3.132 0.000 5.338) 6.189 13.744 ( 4.074 0.000 0.063) 4.075 14.083 ( -0.576 0.000 1.361) 1.478 14.145 ( 1.406 0.000 -2.125) 2.548 14.276 ( -1.602 0.000 7.339) 7.512 14.502 ( 3.982 0.000 -7.382) 8.388 14.611 ( -0.771 0.000 10.912) 10.939 14.754 ( -0.582 0.000 -17.638) 17.647 15.737 ( -1.743 0.000 2.875) 3.362 15.785 ( -1.838 0.000 -13.096) 13.224 16.250 ( 3.476 0.000 4.141) 5.406 16.304 ( 1.682 0.000 -6.907) 7.109 16.824 ( -0.782 0.000 -0.644) 1.013 16.860 ( 2.089 0.000 -1.272) 2.446 17.076 ( -5.702 0.000 8.061) 9.874 17.312 ( 2.290 0.000 0.423) 2.328 17.938 ( -1.095 0.000 -2.263) 2.514 18.253 ( 10.145 0.000 0.091) 10.145 18.631 ( -1.560 0.000 -5.046) 5.282 18.639 ( 2.551 0.000 27.970) 28.086 19.514 ( -8.637 0.000 12.373) 15.090 19.850 ( 0.186 0.000 -8.893) 8.895 20.210 ( -0.799 0.000 10.944) 10.973 20.310 ( -9.026 0.000 -14.485) 17.068 21.520 ( -10.023 0.000 1.417) 10.123 21.704 ( -4.366 0.000 7.674) 8.829 21.856 ( 6.855 0.000 -0.205) 6.858 21.877 ( 1.967 0.000 -2.510) 3.189 22.820 ( 0.873 0.000 5.666) 5.733 22.974 ( 1.077 0.000 -10.184) 10.241 23.083 ( -2.584 0.000 -17.557) 17.746 23.251 ( 11.083 0.000 5.921) 12.565 ======================= Grid point 68 (26/70) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( -17.198 0.000 11.262) 20.557 0.510 ( -26.180 0.000 11.192) 28.472 0.791 ( -33.614 0.000 31.954) 46.379 1.165 ( 0.781 0.000 -8.270) 8.307 1.515 ( 1.179 0.000 5.753) 5.872 1.590 ( -0.701 0.000 -14.953) 14.969 2.131 ( -3.914 0.000 4.811) 6.202 2.139 ( -1.457 0.000 11.938) 12.027 2.284 ( 10.679 0.000 -5.549) 12.034 2.362 ( 2.858 0.000 -0.610) 2.923 2.373 ( 7.950 0.000 -0.566) 7.970 2.431 ( 10.726 0.000 -9.941) 14.624 2.504 ( 1.571 0.000 0.230) 1.588 2.590 ( 0.673 0.000 -4.946) 4.991 2.667 ( -3.886 0.000 0.457) 3.913 2.805 ( 0.658 0.000 2.937) 3.010 2.930 ( 0.337 0.000 -7.032) 7.040 2.956 ( -1.984 0.000 5.819) 6.148 2.968 ( 2.239 0.000 -3.115) 3.836 3.090 ( 2.674 0.000 -1.157) 2.914 3.173 ( 6.666 0.000 -2.496) 7.118 3.178 ( 4.519 0.000 5.428) 7.063 3.310 ( -3.873 0.000 0.538) 3.910 3.326 ( -3.861 0.000 -4.007) 5.564 3.429 ( -2.952 0.000 -0.495) 2.994 3.443 ( -7.459 0.000 3.874) 8.405 3.491 ( -1.251 0.000 1.699) 2.110 3.547 ( -6.569 0.000 2.980) 7.213 3.575 ( -0.499 0.000 1.210) 1.309 3.657 ( 0.040 0.000 -1.736) 1.737 3.684 ( 3.332 0.000 -1.994) 3.884 3.700 ( 3.026 0.000 1.308) 3.296 3.734 ( 1.951 0.000 4.006) 4.456 3.889 ( -0.391 0.000 0.550) 0.675 3.997 ( 2.257 0.000 -0.346) 2.283 4.048 ( -0.639 0.000 0.540) 0.836 4.078 ( 9.605 0.000 -7.918) 12.448 4.086 ( 1.500 0.000 -0.097) 1.503 4.154 ( 3.725 0.000 3.398) 5.042 4.247 ( -0.927 0.000 0.027) 0.927 4.258 ( 3.162 0.000 4.591) 5.574 4.314 ( -2.270 0.000 -4.258) 4.825 4.338 ( -1.784 0.000 0.313) 1.811 4.401 ( 0.248 0.000 -0.550) 0.603 4.480 ( -0.792 0.000 1.978) 2.130 4.493 ( 1.234 0.000 -2.435) 2.730 4.494 ( 3.158 0.000 3.731) 4.888 4.517 ( -1.602 0.000 -1.670) 2.314 4.633 ( -3.646 0.000 -1.526) 3.952 4.732 ( -1.222 0.000 -5.827) 5.953 4.739 ( -0.454 0.000 -0.897) 1.005 4.767 ( -2.010 0.000 1.073) 2.279 4.800 ( -2.255 0.000 -0.531) 2.317 4.808 ( -0.904 0.000 -1.360) 1.633 5.007 ( -6.007 0.000 -5.814) 8.360 5.097 ( 3.308 0.000 1.394) 3.590 5.265 ( -2.842 0.000 0.461) 2.879 5.336 ( -1.803 0.000 -1.247) 2.192 5.369 ( -0.898 0.000 0.676) 1.124 5.450 ( -1.670 0.000 -0.557) 1.760 5.531 ( -1.207 0.000 -6.348) 6.461 5.552 ( 3.664 0.000 -5.076) 6.260 5.706 ( -0.407 0.000 2.561) 2.593 5.771 ( -1.799 0.000 -1.567) 2.386 5.793 ( -0.913 0.000 3.194) 3.322 5.929 ( 2.326 0.000 -3.607) 4.292 6.117 ( -0.677 0.000 -0.451) 0.813 6.178 ( -2.059 0.000 -0.621) 2.151 6.187 ( 1.120 0.000 -3.642) 3.811 6.256 ( -0.579 0.000 4.693) 4.729 6.412 ( -2.573 0.000 1.925) 3.213 6.535 ( -1.689 0.000 6.532) 6.746 6.566 ( 6.526 0.000 2.802) 7.102 6.717 ( 6.242 0.000 -5.797) 8.519 6.896 ( -1.681 0.000 5.769) 6.009 6.963 ( -1.970 0.000 2.355) 3.070 7.072 ( -4.027 0.000 8.455) 9.365 7.113 ( 5.543 0.000 -7.953) 9.694 7.278 ( 0.741 0.000 -4.802) 4.859 7.495 ( -5.229 0.000 -2.433) 5.767 7.533 ( 3.544 0.000 -3.958) 5.313 7.612 ( -1.744 0.000 0.533) 1.824 7.637 ( -1.305 0.000 1.393) 1.909 7.698 ( 1.372 0.000 -0.776) 1.576 8.375 ( 0.748 0.000 -1.334) 1.530 8.501 ( 1.631 0.000 -2.217) 2.752 8.670 ( -8.094 0.000 11.771) 14.285 9.057 ( 4.307 0.000 -6.617) 7.895 9.509 ( 0.854 0.000 -1.831) 2.021 9.580 ( 3.549 0.000 -4.785) 5.957 9.633 ( -2.453 0.000 4.523) 5.145 9.732 ( 1.043 0.000 2.035) 2.286 9.873 ( 2.769 0.000 -2.754) 3.905 9.931 ( 2.795 0.000 1.095) 3.002 9.969 ( -1.915 0.000 1.037) 2.178 10.000 ( -1.358 0.000 -4.077) 4.297 10.550 ( 2.608 0.000 22.826) 22.975 10.788 ( 2.441 0.000 -3.273) 4.083 10.868 ( -0.151 0.000 5.127) 5.129 10.954 ( 3.251 0.000 -0.420) 3.278 11.725 ( 1.754 0.000 -9.969) 10.122 11.751 ( 2.963 0.000 7.004) 7.605 11.865 ( 1.851 0.000 15.218) 15.330 11.914 ( 5.498 0.000 -6.572) 8.568 12.239 ( -3.650 0.000 4.879) 6.093 12.403 ( -4.520 0.000 5.698) 7.273 12.475 ( 6.722 0.000 2.838) 7.296 12.672 ( -0.009 0.000 -0.706) 0.706 12.702 ( 2.560 0.000 -1.098) 2.786 12.731 ( 0.568 0.000 -1.079) 1.220 12.992 ( -6.912 0.000 1.822) 7.148 13.414 ( 4.182 0.000 -2.259) 4.753 13.644 ( 1.058 0.000 3.095) 3.271 13.781 ( 3.563 0.000 -5.674) 6.699 14.086 ( -0.755 0.000 1.120) 1.351 14.147 ( 1.856 0.000 -2.535) 3.141 14.318 ( -2.445 0.000 6.786) 7.213 14.321 ( -5.668 0.000 -20.277) 21.055 14.566 ( -0.686 0.000 -3.218) 3.290 14.698 ( -5.069 0.000 11.682) 12.734 15.563 ( -8.589 0.000 -8.704) 12.228 15.721 ( -3.345 0.000 1.449) 3.645 16.292 ( 2.847 0.000 -1.291) 3.126 16.350 ( 1.434 0.000 4.919) 5.124 16.805 ( -0.520 0.000 -0.490) 0.714 16.878 ( 2.517 0.000 -2.180) 3.330 17.091 ( -2.500 0.000 7.584) 7.986 17.322 ( -2.542 0.000 1.037) 2.746 17.969 ( 9.233 0.000 -3.287) 9.801 18.343 ( 6.093 0.000 -5.183) 7.999 18.573 ( 3.277 0.000 -6.368) 7.162 19.074 ( 15.873 0.000 0.218) 15.874 19.623 ( -7.320 0.000 19.468) 20.799 19.746 ( -0.017 0.000 -13.815) 13.815 20.069 ( -7.232 0.000 2.639) 7.698 20.507 ( 14.900 0.000 40.839) 43.472 21.411 ( -5.664 0.000 1.304) 5.812 21.698 ( -10.515 0.000 -19.353) 22.025 21.883 ( 1.632 0.000 -1.022) 1.925 21.942 ( 3.857 0.000 1.257) 4.057 22.741 ( 0.551 0.000 2.764) 2.818 22.868 ( -1.268 0.000 3.392) 3.621 22.934 ( -0.849 0.000 -3.001) 3.118 23.453 ( 6.087 0.000 3.777) 7.163 ======================= Grid point 69 (27/70) ======================= q-point: ( 0.00 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -2.868 20.866 12.755) 24.624 0.774 ( -0.138 20.526 17.572) 27.020 1.186 ( 6.744 10.089 -12.295) 17.275 1.314 ( -8.402 35.827 24.858) 44.408 1.497 ( -0.021 10.308 -14.521) 17.808 1.749 ( -2.488 11.413 7.563) 13.916 2.123 ( -2.082 0.541 2.554) 3.339 2.217 ( -1.581 -2.064 3.371) 4.257 2.297 ( 3.281 -4.899 0.156) 5.898 2.341 ( -3.999 -0.340 7.264) 8.299 2.415 ( 0.559 2.931 -5.761) 6.488 2.450 ( 3.776 1.375 -4.013) 5.680 2.535 ( 11.214 5.506 -15.221) 19.691 2.581 ( 1.847 2.964 -2.565) 4.333 2.622 ( -1.823 0.736 -0.983) 2.198 2.785 ( -0.459 -2.162 -2.965) 3.698 2.875 ( -4.130 1.847 3.883) 5.963 2.924 ( -4.352 2.358 -0.432) 4.969 3.023 ( 2.154 4.360 -4.416) 6.569 3.030 ( 0.052 -3.960 -4.132) 5.724 3.189 ( -0.613 -3.065 1.613) 3.517 3.220 ( -0.589 0.194 1.187) 1.339 3.298 ( -1.372 -4.737 4.978) 7.008 3.338 ( 1.796 4.720 -1.192) 5.189 3.453 ( 0.739 3.750 -2.964) 4.836 3.462 ( -0.531 1.341 1.700) 2.230 3.500 ( -1.565 0.916 -2.906) 3.425 3.523 ( 1.344 4.154 1.209) 4.530 3.605 ( -2.363 0.734 5.070) 5.641 3.627 ( -0.730 -2.814 1.932) 3.491 3.729 ( 2.667 -1.021 0.574) 2.913 3.770 ( -1.145 1.054 6.391) 6.578 3.828 ( 2.272 -5.879 5.244) 8.199 3.850 ( -0.398 -3.018 -1.745) 3.508 3.997 ( 1.714 -2.780 -1.552) 3.616 4.043 ( 3.252 -2.180 -3.014) 4.941 4.083 ( -1.323 -1.985 -4.176) 4.809 4.118 ( 0.299 -2.657 1.988) 3.332 4.165 ( 3.746 -1.197 -1.876) 4.357 4.220 ( -1.946 -1.476 0.411) 2.477 4.242 ( 0.157 -0.334 1.458) 1.504 4.266 ( -2.997 -3.268 1.655) 4.733 4.287 ( 1.292 -1.058 0.780) 1.843 4.399 ( 0.243 1.592 -0.617) 1.724 4.424 ( -3.413 0.780 -2.445) 4.270 4.438 ( 2.462 0.851 2.134) 3.367 4.478 ( -2.044 -1.597 1.042) 2.795 4.558 ( -0.391 0.025 2.900) 2.926 4.620 ( -0.571 0.971 0.364) 1.184 4.669 ( -1.997 -0.618 -2.783) 3.480 4.759 ( 1.132 0.603 0.476) 1.367 4.773 ( -0.346 0.651 0.564) 0.928 4.789 ( 1.911 -0.746 0.312) 2.075 4.823 ( -0.291 2.130 -0.318) 2.173 4.968 ( -3.716 0.437 8.708) 9.478 5.237 ( 1.840 -5.631 -2.607) 6.472 5.241 ( -1.315 -0.081 1.216) 1.793 5.346 ( 5.508 -1.188 -6.124) 8.322 5.404 ( 1.119 1.648 -3.463) 3.995 5.475 ( 2.134 3.491 -0.223) 4.098 5.498 ( 3.714 0.879 -6.595) 7.620 5.582 ( 1.400 3.968 -4.812) 6.392 5.663 ( 0.860 -1.470 -0.872) 1.913 5.741 ( -1.307 1.098 0.693) 1.842 5.858 ( -1.695 1.693 1.505) 2.829 5.893 ( 0.446 -1.876 -3.847) 4.303 6.088 ( -3.827 -2.055 4.438) 6.210 6.167 ( -3.256 -2.993 3.178) 5.446 6.205 ( 2.213 0.299 -0.966) 2.433 6.262 ( 1.577 6.205 -4.694) 7.939 6.411 ( -0.040 -0.092 -0.182) 0.207 6.443 ( -1.785 2.060 1.935) 3.343 6.609 ( -3.458 2.121 3.501) 5.359 6.766 ( 5.276 -0.324 -5.318) 7.498 6.927 ( -3.197 2.069 5.878) 7.004 6.942 ( -2.354 -1.438 3.547) 4.493 7.090 ( -2.388 2.056 2.060) 3.765 7.154 ( 4.121 1.083 -4.845) 6.452 7.298 ( 3.693 2.645 -0.156) 4.545 7.443 ( -1.278 3.363 3.073) 4.732 7.495 ( -1.638 -5.023 -2.191) 5.719 7.557 ( 1.004 2.512 -1.618) 3.152 7.745 ( -2.641 11.090 3.331) 11.876 7.916 ( 2.670 11.728 -4.931) 12.999 8.494 ( -0.182 8.303 1.868) 8.512 8.623 ( 0.193 10.410 -2.955) 10.823 8.777 ( -6.580 8.457 9.512) 14.328 9.165 ( 5.586 9.129 -8.445) 13.634 9.526 ( -1.116 4.903 2.442) 5.590 9.629 ( -1.865 3.564 0.715) 4.086 9.684 ( 1.832 2.866 2.632) 4.301 9.823 ( 3.606 1.500 -4.610) 6.043 9.875 ( -3.351 4.193 -4.184) 6.806 9.944 ( 0.044 6.291 -4.348) 7.647 9.984 ( 0.196 3.479 0.183) 3.489 10.043 ( 0.721 6.080 -4.291) 7.477 10.656 ( -3.757 -2.075 11.930) 12.679 10.844 ( -0.503 1.833 -2.023) 2.776 10.958 ( 0.424 -2.940 2.894) 4.147 11.057 ( 1.811 4.526 -2.283) 5.383 11.337 ( -13.168 -1.409 8.871) 15.940 11.681 ( 5.973 -0.679 -8.516) 10.424 11.830 ( -3.471 0.480 1.890) 3.981 11.967 ( 2.986 -1.481 -2.984) 4.473 12.316 ( -0.231 -3.147 1.925) 3.696 12.386 ( -0.644 2.565 -4.919) 5.584 12.444 ( -4.184 0.226 -0.785) 4.263 12.639 ( 1.945 -3.209 -3.704) 5.273 12.723 ( -2.771 3.467 -2.430) 5.060 12.730 ( 0.553 0.239 -0.694) 0.919 13.183 ( 5.208 -2.887 11.700) 13.128 13.385 ( 0.084 -1.508 4.657) 4.896 13.519 ( -4.309 -1.139 -9.863) 10.823 13.703 ( 1.447 -1.997 -9.904) 10.206 14.080 ( -0.827 -3.052 1.038) 3.328 14.141 ( 1.098 0.709 -2.325) 2.667 14.380 ( -3.082 2.960 4.941) 6.533 14.531 ( 2.376 0.363 -1.627) 2.902 14.725 ( 1.670 2.482 12.011) 12.378 14.853 ( 7.074 2.732 3.230) 8.242 15.563 ( 1.533 6.083 5.754) 8.513 15.925 ( 6.669 6.575 -13.303) 16.269 16.290 ( -2.644 -5.641 2.328) 6.651 16.327 ( 3.005 0.470 -1.089) 3.231 16.843 ( 0.447 3.248 0.208) 3.285 16.908 ( 0.794 1.840 -2.365) 3.100 17.250 ( -9.179 9.477 10.335) 16.760 17.520 ( 9.624 9.192 -4.614) 14.086 18.103 ( 3.360 2.062 2.003) 4.422 18.297 ( 3.338 -4.497 -4.258) 7.036 18.615 ( 4.381 -1.799 -1.407) 4.940 18.737 ( -32.192 11.478 -17.754) 38.513 19.388 ( -5.291 3.756 2.270) 6.874 19.688 ( 5.010 4.867 -15.742) 17.222 20.111 ( 3.524 -4.504 10.271) 11.756 20.308 ( -17.607 -9.542 1.236) 20.064 21.257 ( 6.256 -2.289 2.716) 7.194 21.332 ( -1.507 -1.666 -1.165) 2.530 21.896 ( 1.087 -1.085 0.929) 1.795 21.947 ( -0.765 -0.943 -1.186) 1.697 22.817 ( -2.466 -3.749 1.281) 4.667 22.879 ( 2.168 -4.128 -1.474) 4.890 23.140 ( 12.373 -21.341 22.151) 33.154 23.401 ( -3.117 -9.686 -0.364) 10.181 ======================= Grid point 70 (28/70) ======================= q-point: ( 0.17 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 2.455 15.321 13.280) 20.423 1.025 ( 5.258 14.921 15.922) 22.445 1.176 ( 8.320 10.010 -12.462) 18.020 1.344 ( 6.096 7.457 -15.549) 18.290 1.551 ( 1.569 25.373 15.851) 29.959 1.766 ( -6.773 11.735 10.636) 17.225 2.152 ( 1.319 0.396 0.711) 1.550 2.202 ( -0.341 1.482 1.171) 1.919 2.223 ( -9.275 -3.174 1.072) 9.862 2.341 ( -4.116 0.663 2.329) 4.775 2.415 ( 5.582 0.533 -7.448) 9.322 2.455 ( 4.151 2.890 -8.102) 9.551 2.516 ( 3.638 10.791 -7.274) 13.512 2.591 ( 1.423 -0.778 -1.160) 1.993 2.642 ( 5.497 2.245 -2.427) 6.415 2.709 ( -3.178 -2.210 -1.575) 4.179 2.855 ( -4.575 0.609 3.948) 6.073 2.908 ( -1.162 4.342 4.261) 6.194 2.958 ( -2.242 -2.555 -2.554) 4.252 3.002 ( 3.169 2.304 -4.999) 6.351 3.195 ( 1.639 -0.756 -2.226) 2.866 3.245 ( -0.598 -0.297 4.214) 4.267 3.307 ( -2.704 -1.789 5.271) 6.189 3.391 ( 2.653 1.591 0.619) 3.154 3.404 ( -2.784 2.604 -1.271) 4.018 3.456 ( -0.619 2.693 -0.826) 2.884 3.513 ( 5.675 0.228 -2.373) 6.155 3.550 ( -5.379 1.848 2.359) 6.157 3.574 ( 1.919 3.404 -0.248) 3.916 3.651 ( -3.116 -1.861 3.867) 5.303 3.770 ( -3.731 1.691 -1.686) 4.430 3.795 ( 2.779 -6.469 -0.626) 7.069 3.828 ( 1.290 -2.129 1.775) 3.058 3.883 ( -3.313 -2.624 6.653) 7.882 3.959 ( -3.150 -0.245 -5.510) 6.352 3.995 ( -0.723 -6.445 -2.695) 7.024 4.098 ( 0.413 -1.638 0.245) 1.707 4.102 ( -1.439 -0.452 -2.651) 3.050 4.146 ( 2.029 -2.105 -2.307) 3.724 4.195 ( 0.393 1.307 -1.424) 1.972 4.259 ( -3.812 -3.725 3.837) 6.567 4.266 ( -1.440 -0.973 0.975) 1.992 4.285 ( 0.220 -1.179 1.526) 1.941 4.384 ( -0.082 -0.409 -0.638) 0.762 4.430 ( -0.735 -0.959 -1.780) 2.151 4.452 ( 2.388 1.265 1.735) 3.211 4.476 ( -2.242 -1.550 0.700) 2.814 4.595 ( 0.899 -3.609 1.348) 3.956 4.620 ( 1.426 0.645 1.009) 1.862 4.637 ( -1.766 2.874 0.459) 3.405 4.737 ( -0.629 2.384 -1.167) 2.728 4.787 ( 0.448 -0.950 0.895) 1.380 4.801 ( -0.287 -0.059 -1.299) 1.332 4.816 ( 0.525 -0.300 0.646) 0.885 4.989 ( -3.893 -1.801 5.851) 7.255 5.208 ( 0.049 -8.558 -2.740) 8.986 5.268 ( 1.101 -0.315 1.464) 1.859 5.339 ( 2.813 3.661 -7.041) 8.420 5.399 ( 1.731 -1.086 -0.644) 2.143 5.480 ( 0.733 2.719 -1.852) 3.370 5.521 ( 4.713 -0.283 -3.590) 5.931 5.559 ( 2.199 3.577 -4.785) 6.366 5.681 ( 2.117 0.672 -1.149) 2.501 5.741 ( 1.335 -1.646 0.025) 2.120 5.825 ( -4.129 2.177 2.665) 5.375 5.874 ( 0.326 -2.131 -1.650) 2.715 6.061 ( -5.030 -0.712 3.797) 6.342 6.141 ( -3.451 -3.735 3.221) 6.020 6.248 ( 2.452 4.839 -1.890) 5.744 6.259 ( 4.517 2.224 -1.890) 5.378 6.401 ( -1.568 1.415 0.952) 2.317 6.428 ( -1.634 3.456 0.752) 3.896 6.591 ( -3.907 0.875 4.303) 5.878 6.783 ( 4.742 -0.617 -6.481) 8.055 6.942 ( -2.438 2.963 5.261) 6.512 6.949 ( -2.115 -1.228 4.227) 4.884 7.074 ( -1.445 1.869 1.002) 2.566 7.166 ( 4.620 1.494 -5.877) 7.624 7.349 ( 0.570 4.825 1.994) 5.251 7.435 ( -0.394 -3.893 -4.221) 5.756 7.501 ( 3.901 -0.289 1.661) 4.250 7.564 ( 1.118 2.313 -0.759) 2.679 7.727 ( -3.827 11.224 3.131) 12.265 7.887 ( -0.371 11.891 -3.064) 12.285 8.505 ( -1.627 8.165 2.607) 8.724 8.598 ( 1.067 10.628 -3.047) 11.107 8.779 ( -5.939 8.636 9.315) 14.022 9.163 ( 5.660 8.987 -8.361) 13.516 9.533 ( -1.985 5.802 3.077) 6.860 9.602 ( -1.218 4.490 -0.450) 4.674 9.730 ( 0.727 5.274 0.610) 5.359 9.756 ( -5.478 5.360 1.155) 7.750 9.831 ( 4.456 0.778 -5.281) 6.953 9.965 ( 3.365 3.831 -0.492) 5.122 9.991 ( 0.485 4.314 0.134) 4.343 10.027 ( 1.022 3.854 -1.676) 4.326 10.681 ( -7.313 0.825 10.139) 12.529 10.807 ( -0.798 1.305 -2.338) 2.794 10.938 ( -4.028 3.962 -0.455) 5.668 11.001 ( -3.323 0.894 0.852) 3.545 11.343 ( -1.420 2.257 7.858) 8.298 11.733 ( 9.864 -1.704 -6.403) 11.882 11.790 ( -2.898 0.534 1.252) 3.202 12.003 ( 3.719 -1.781 -1.533) 4.399 12.297 ( -1.567 4.377 -0.790) 4.716 12.337 ( -0.078 -3.039 1.137) 3.245 12.459 ( -1.388 -3.160 5.485) 6.481 12.630 ( 2.400 -3.666 -4.207) 6.074 12.684 ( -0.511 1.759 -0.100) 1.834 12.745 ( 1.185 0.470 0.180) 1.287 13.292 ( -2.783 1.218 6.426) 7.108 13.345 ( -5.409 -2.501 -6.283) 8.660 13.468 ( 0.651 -3.143 3.703) 4.900 13.623 ( 3.753 1.236 -7.600) 8.566 14.065 ( -1.986 -2.480 0.669) 3.247 14.150 ( 2.201 -0.231 -1.244) 2.539 14.371 ( -4.305 3.420 3.475) 6.505 14.512 ( -3.058 3.160 -0.754) 4.462 14.678 ( -3.714 8.872 -2.072) 9.839 15.010 ( 2.348 -2.421 1.203) 3.581 15.645 ( 2.226 4.290 0.827) 4.903 15.944 ( 9.138 -1.325 -8.030) 12.237 16.240 ( -5.198 -4.627 1.117) 7.048 16.375 ( 3.868 0.191 -1.280) 4.079 16.859 ( 0.981 3.313 0.081) 3.456 16.893 ( 0.849 2.320 -2.293) 3.370 17.205 ( -8.626 7.564 8.752) 14.430 17.633 ( 5.328 3.748 1.804) 6.759 17.919 ( -22.593 31.227 -14.131) 41.052 18.131 ( -4.271 2.601 4.398) 6.659 18.326 ( -1.913 -7.399 2.048) 7.913 18.769 ( 1.174 -0.540 5.578) 5.725 19.383 ( 2.355 -1.411 1.872) 3.323 19.787 ( 14.749 2.883 -4.015) 15.556 20.128 ( -7.120 -5.747 0.397) 9.159 20.391 ( 12.046 -10.572 12.229) 20.160 21.333 ( 5.820 -1.227 -1.574) 6.153 21.409 ( 8.998 -2.864 -0.938) 9.489 21.890 ( -3.289 -1.313 -1.166) 3.728 21.923 ( -0.541 -0.943 0.644) 1.263 22.782 ( -2.807 -3.167 1.487) 4.486 22.917 ( 3.765 -4.592 -1.185) 6.055 23.230 ( -12.507 -8.857 -6.900) 16.808 23.357 ( -2.818 -17.225 7.059) 18.827 ======================= Grid point 71 (29/70) ======================= q-point: ( 0.33 0.11 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 2.157 7.171 10.873) 13.202 1.119 ( 7.598 11.452 -13.708) 19.411 1.257 ( 4.405 8.579 3.436) 10.237 1.368 ( 12.512 2.847 -7.190) 14.709 1.591 ( -8.531 13.585 0.000) 16.042 1.816 ( -1.956 9.736 10.026) 14.111 2.094 ( -5.166 -0.165 0.550) 5.198 2.168 ( -0.162 3.441 3.696) 5.052 2.246 ( -3.645 4.600 1.986) 6.196 2.283 ( -0.664 1.081 1.355) 1.856 2.342 ( 0.859 5.191 -8.896) 10.336 2.463 ( 0.508 12.229 -6.019) 13.640 2.499 ( 6.581 1.331 -5.705) 8.811 2.606 ( 0.433 -0.674 -1.651) 1.835 2.685 ( 2.768 -2.159 1.810) 3.950 2.728 ( 3.677 3.482 -0.306) 5.074 2.820 ( -3.875 0.404 3.330) 5.125 2.916 ( 2.109 0.120 -2.794) 3.502 2.945 ( -1.757 3.190 3.652) 5.158 3.018 ( 3.579 2.846 -2.974) 5.455 3.172 ( -0.524 -1.272 -3.898) 4.134 3.276 ( -0.649 -1.273 1.757) 2.265 3.331 ( -4.328 -1.474 7.477) 8.765 3.365 ( 0.388 1.142 0.186) 1.220 3.386 ( -3.968 2.864 0.959) 4.986 3.451 ( -0.937 2.377 2.571) 3.625 3.514 ( 0.399 2.851 0.546) 2.930 3.570 ( -0.348 0.814 1.034) 1.361 3.575 ( -0.668 -1.862 0.540) 2.050 3.642 ( -1.555 1.931 0.618) 2.555 3.657 ( -2.714 0.830 -4.098) 4.985 3.797 ( 2.613 -5.274 -5.957) 8.374 3.851 ( -0.322 -0.433 0.032) 0.540 3.863 ( -2.926 -3.508 -6.856) 8.238 3.887 ( -2.719 -1.856 5.449) 6.366 3.959 ( 2.903 -0.296 0.180) 2.924 4.077 ( 0.881 -1.112 1.183) 1.848 4.139 ( 0.527 -2.045 2.180) 3.034 4.164 ( -1.877 0.739 -0.517) 2.082 4.181 ( 1.846 -1.399 -0.451) 2.360 4.205 ( -1.201 -1.577 -1.588) 2.540 4.277 ( -0.592 -0.569 2.556) 2.685 4.311 ( -1.132 -1.205 0.405) 1.703 4.366 ( -1.195 0.311 0.029) 1.235 4.414 ( 0.596 1.421 -0.225) 1.558 4.436 ( -1.029 -0.535 -1.201) 1.670 4.490 ( 0.034 -2.193 2.112) 3.045 4.530 ( -5.926 3.193 -1.906) 6.996 4.617 ( -0.377 -2.238 0.304) 2.290 4.675 ( 0.180 1.176 3.372) 3.575 4.765 ( 0.289 -1.184 -0.297) 1.254 4.785 ( 0.817 -1.726 -1.477) 2.414 4.814 ( 2.156 -1.800 1.139) 3.031 4.837 ( 1.418 -2.244 0.025) 2.654 4.976 ( -3.141 -2.059 2.996) 4.804 5.188 ( 1.641 -10.097 -2.662) 10.570 5.306 ( 1.461 0.376 0.764) 1.691 5.313 ( 2.608 2.210 -4.531) 5.676 5.428 ( 0.835 -0.621 0.837) 1.335 5.472 ( -0.405 3.111 -0.017) 3.137 5.545 ( 2.727 4.807 -4.154) 6.913 5.549 ( 3.758 -2.671 -4.160) 6.210 5.706 ( 2.203 0.954 -0.504) 2.453 5.770 ( 1.462 -3.124 0.149) 3.452 5.791 ( -3.830 3.606 3.163) 6.139 5.863 ( -0.252 -1.912 -0.338) 1.958 6.018 ( -5.118 -0.764 4.261) 6.704 6.137 ( -2.440 -4.501 4.748) 6.983 6.270 ( 3.584 5.660 -2.730) 7.235 6.311 ( 2.837 -1.690 -1.981) 3.850 6.387 ( -1.405 1.693 1.331) 2.571 6.409 ( -1.118 4.575 0.094) 4.711 6.573 ( -4.495 1.195 4.693) 6.607 6.778 ( 3.812 -0.114 -6.881) 7.867 6.950 ( -3.248 -0.027 4.314) 5.400 6.971 ( -0.830 2.117 3.447) 4.129 7.067 ( -1.094 1.062 1.632) 2.233 7.175 ( 5.295 1.801 -6.911) 8.891 7.353 ( -1.916 1.959 0.998) 2.917 7.428 ( 4.451 -0.449 -2.924) 5.345 7.569 ( -0.827 1.348 1.053) 1.900 7.572 ( 3.195 1.706 0.144) 3.625 7.696 ( -3.722 11.179 3.007) 12.160 7.845 ( -1.242 11.386 -1.893) 11.609 8.496 ( -3.080 7.395 2.833) 8.497 8.593 ( 2.457 10.910 -3.128) 11.612 8.787 ( -5.843 9.132 9.277) 14.268 9.164 ( 5.861 8.718 -8.417) 13.461 9.532 ( -2.050 5.348 2.976) 6.454 9.587 ( -0.035 2.823 -0.583) 2.882 9.692 ( -2.064 5.433 -0.359) 5.823 9.751 ( -2.044 6.363 3.685) 7.632 9.846 ( 4.030 1.125 -4.994) 6.515 9.988 ( 0.918 4.474 -1.637) 4.851 10.019 ( 1.267 5.230 1.322) 5.541 10.041 ( 1.394 2.317 0.364) 2.729 10.653 ( -7.131 2.895 6.051) 9.790 10.785 ( 0.645 0.017 -0.616) 0.892 10.878 ( -2.320 3.229 -1.428) 4.225 10.950 ( -2.237 1.779 -0.852) 2.983 11.406 ( -1.992 2.424 8.003) 8.596 11.767 ( -1.355 0.040 1.190) 1.804 11.823 ( 7.845 -2.597 -4.966) 9.641 12.020 ( -0.204 -1.719 -1.478) 2.276 12.294 ( 0.442 -1.238 -0.510) 1.410 12.349 ( -0.797 -0.722 1.916) 2.197 12.484 ( -2.295 -3.860 3.755) 5.854 12.628 ( 2.692 -3.280 -3.776) 5.680 12.688 ( 0.627 1.157 0.204) 1.332 12.764 ( 0.042 0.245 0.374) 0.449 13.203 ( -1.233 -1.542 -5.612) 5.949 13.279 ( -4.132 3.663 3.120) 6.342 13.496 ( -0.915 -4.494 3.993) 6.081 13.669 ( 3.902 3.975 0.400) 5.584 14.049 ( -0.920 -2.791 1.681) 3.385 14.173 ( 1.521 1.023 -0.395) 1.875 14.313 ( -3.900 8.717 -0.058) 9.549 14.447 ( -2.565 1.858 -0.274) 3.179 14.644 ( 2.244 7.819 -2.825) 8.611 14.996 ( -1.403 1.673 -3.220) 3.891 15.698 ( 5.330 3.959 -1.436) 6.793 15.961 ( -0.594 -2.957 -3.122) 4.341 16.174 ( -3.425 -1.464 1.282) 3.939 16.409 ( 3.829 1.192 -4.639) 6.132 16.868 ( 1.358 3.054 -1.470) 3.651 16.892 ( 0.548 3.560 -0.365) 3.620 17.172 ( -7.493 6.725 9.192) 13.633 17.544 ( -10.757 21.141 -1.652) 23.778 17.780 ( 8.192 0.496 -0.878) 8.253 18.111 ( -1.381 3.168 0.298) 3.468 18.335 ( -1.747 -6.048 5.603) 8.428 18.788 ( -4.103 0.652 3.696) 5.561 19.473 ( 2.590 -3.583 4.188) 6.090 19.943 ( 6.863 -1.340 -2.306) 7.363 20.046 ( -3.571 -5.360 1.109) 6.535 20.600 ( 1.205 -13.942 -0.177) 13.995 21.525 ( 13.551 -3.153 3.432) 14.330 21.550 ( 9.242 -2.797 0.530) 9.671 21.808 ( -5.005 -0.955 -0.490) 5.119 21.884 ( -4.731 -0.828 -0.878) 4.883 22.783 ( -0.977 -3.079 2.916) 4.352 22.914 ( -7.687 -3.277 -9.204) 12.432 22.963 ( 3.211 -5.033 -3.031) 6.695 23.311 ( -6.359 -10.774 0.344) 12.515 ======================= Grid point 72 (30/70) ======================= q-point: (-0.50 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -3.120 7.927 -0.069) 8.519 1.127 ( -2.424 7.581 -0.559) 7.979 1.192 ( -9.966 3.353 -12.700) 16.488 1.483 ( 13.001 3.228 -7.775) 15.489 1.536 ( 2.556 13.997 5.302) 15.184 1.835 ( -6.430 7.050 4.362) 10.492 2.070 ( -4.956 1.461 7.457) 9.072 2.183 ( -2.286 2.378 0.295) 3.312 2.215 ( -4.066 2.359 -0.852) 4.777 2.275 ( 7.454 7.863 2.995) 11.241 2.347 ( -0.788 6.428 0.102) 6.477 2.387 ( 2.284 9.234 -8.348) 12.656 2.533 ( 3.635 0.044 -4.418) 5.721 2.610 ( 3.229 1.618 -3.607) 5.104 2.701 ( -3.916 2.408 1.316) 4.782 2.734 ( -1.336 -0.134 1.907) 2.332 2.866 ( 5.541 5.016 -1.880) 7.707 2.919 ( 0.205 -0.120 1.870) 1.885 2.957 ( 3.196 0.007 -3.642) 4.845 3.054 ( 2.066 4.204 1.009) 4.792 3.102 ( -1.691 -0.275 -3.848) 4.212 3.239 ( -0.156 -0.918 -4.162) 4.265 3.342 ( -3.107 -2.497 5.697) 6.953 3.379 ( 0.667 1.508 2.871) 3.311 3.421 ( 1.840 -0.213 1.985) 2.715 3.476 ( -4.095 2.471 9.361) 10.512 3.535 ( -3.244 -0.595 3.555) 4.850 3.546 ( 2.302 0.358 -2.448) 3.380 3.582 ( 1.549 2.520 -1.620) 3.373 3.596 ( -1.715 0.631 3.040) 3.546 3.639 ( -0.433 -0.852 -1.558) 1.828 3.741 ( -1.357 -0.894 -5.331) 5.573 3.751 ( -0.380 -2.242 -4.364) 4.921 3.874 ( -1.060 -1.295 3.259) 3.664 3.946 ( 5.192 -2.360 0.077) 5.703 3.997 ( 3.858 -0.222 -5.917) 7.067 4.099 ( -1.146 -1.742 1.339) 2.478 4.127 ( -1.286 -0.254 2.018) 2.407 4.142 ( -3.063 0.910 2.901) 4.316 4.198 ( -0.348 -2.478 1.696) 3.023 4.243 ( -0.957 -0.391 0.584) 1.188 4.257 ( 1.587 0.450 -1.269) 2.081 4.300 ( 2.276 0.339 0.185) 2.309 4.344 ( -1.578 -0.914 1.070) 2.114 4.395 ( 0.239 -2.599 -3.787) 4.600 4.406 ( -2.779 2.497 -1.567) 4.051 4.489 ( 2.563 3.163 1.246) 4.257 4.526 ( 1.025 -1.188 1.241) 2.001 4.625 ( 0.850 -3.414 1.946) 4.021 4.683 ( -2.989 0.173 2.793) 4.094 4.747 ( -0.559 -1.002 -1.214) 1.670 4.784 ( 1.094 -1.695 -1.464) 2.493 4.828 ( -0.738 -4.682 -1.313) 4.918 4.836 ( -1.090 -4.019 -1.010) 4.285 4.974 ( -2.125 -0.341 3.630) 4.220 5.203 ( 4.133 -6.867 -3.693) 8.825 5.307 ( 1.388 -0.388 -2.174) 2.609 5.323 ( -2.094 -0.744 1.375) 2.613 5.433 ( -1.054 2.488 0.592) 2.766 5.471 ( -0.000 1.205 0.703) 1.395 5.554 ( 2.810 2.626 -3.305) 5.071 5.574 ( 5.947 -1.972 -5.113) 8.087 5.728 ( -0.872 1.611 1.554) 2.402 5.774 ( -1.864 -0.564 2.096) 2.861 5.797 ( 1.399 0.733 0.679) 1.719 5.866 ( 1.398 -1.326 -0.379) 1.964 6.005 ( -3.554 -1.951 6.487) 7.650 6.158 ( -2.555 -5.246 5.597) 8.085 6.268 ( -0.319 -1.602 -4.932) 5.195 6.313 ( 2.774 4.332 -2.732) 5.825 6.388 ( 0.675 -0.941 -0.303) 1.197 6.403 ( -0.471 6.972 0.926) 7.049 6.558 ( -4.135 3.033 6.118) 7.983 6.756 ( 2.952 0.649 -6.863) 7.499 6.936 ( -2.971 -0.528 2.887) 4.176 6.982 ( -1.779 2.777 2.013) 3.864 7.075 ( -1.139 0.688 2.848) 3.143 7.183 ( 4.737 2.788 -6.875) 8.802 7.340 ( -0.746 0.755 0.706) 1.275 7.472 ( 4.207 -1.352 -3.146) 5.424 7.556 ( -2.986 1.219 2.432) 4.039 7.608 ( 0.700 2.388 0.355) 2.513 7.685 ( -1.515 11.011 3.061) 11.529 7.817 ( 0.756 11.325 -1.735) 11.482 8.477 ( -2.517 7.204 2.389) 7.996 8.605 ( 3.092 10.837 -2.943) 11.647 8.790 ( -6.483 9.584 9.357) 14.881 9.168 ( 6.049 8.667 -8.535) 13.585 9.531 ( -2.249 4.499 3.061) 5.888 9.585 ( 0.373 0.806 -0.192) 0.909 9.663 ( -1.491 4.827 0.257) 5.058 9.770 ( 0.495 8.307 2.449) 8.674 9.851 ( 2.425 2.451 -3.176) 4.688 9.976 ( 0.611 5.601 -2.718) 6.256 10.032 ( -1.217 4.622 0.870) 4.858 10.071 ( 1.715 3.671 0.418) 4.073 10.587 ( -7.503 2.912 3.858) 8.926 10.802 ( 3.690 -2.025 -3.716) 5.614 10.840 ( -1.287 1.599 1.483) 2.532 10.926 ( 0.309 5.433 -1.087) 5.549 11.456 ( -4.285 1.819 10.345) 11.344 11.771 ( -0.471 -0.329 2.230) 2.303 11.873 ( 6.160 -2.248 -6.842) 9.477 11.963 ( -2.112 -0.963 -4.759) 5.294 12.283 ( -0.501 -1.827 -0.617) 1.992 12.334 ( -1.073 -1.046 -0.545) 1.594 12.473 ( -3.406 -2.324 2.969) 5.081 12.633 ( 2.541 -2.853 -2.918) 4.808 12.700 ( 0.543 1.148 0.042) 1.271 12.751 ( -0.414 0.137 -1.075) 1.160 13.220 ( 4.429 0.279 1.161) 4.587 13.243 ( -2.918 3.103 0.875) 4.348 13.531 ( -1.910 -4.467 5.762) 7.537 13.712 ( 1.774 2.739 -0.849) 3.372 14.079 ( -0.917 -2.103 5.484) 5.945 14.187 ( 0.679 1.983 -0.303) 2.117 14.287 ( -0.022 8.350 1.221) 8.439 14.428 ( 0.499 0.058 -0.315) 0.593 14.672 ( 2.983 8.014 -0.010) 8.551 14.907 ( -1.591 1.158 -8.516) 8.741 15.769 ( 1.387 4.461 0.944) 4.766 15.882 ( -0.904 -2.268 -4.610) 5.216 16.168 ( -0.458 0.177 3.017) 3.057 16.393 ( 2.930 2.747 -7.828) 8.798 16.881 ( 1.595 2.851 -0.824) 3.369 16.890 ( -0.168 3.984 -0.560) 4.027 17.167 ( -6.186 7.885 10.147) 14.262 17.432 ( 0.382 15.034 -4.411) 15.673 17.891 ( -0.207 -3.870 5.892) 7.052 18.114 ( 6.077 0.113 -4.560) 7.598 18.418 ( -0.443 -0.360 13.949) 13.961 18.736 ( -3.733 0.994 -1.071) 4.009 19.520 ( -3.634 -2.040 5.759) 7.109 19.939 ( 0.670 -1.860 -7.738) 7.986 20.058 ( 0.009 -6.022 5.592) 8.218 20.475 ( -3.980 -11.105 -13.566) 17.977 21.650 ( -6.830 -4.741 0.832) 8.356 21.690 ( 7.705 -3.580 -0.288) 8.501 21.728 ( -5.422 -0.198 1.958) 5.768 21.830 ( 3.178 -0.632 -0.533) 3.283 22.730 ( -0.134 -1.868 0.287) 1.895 22.953 ( 5.241 -5.052 0.457) 7.294 22.974 ( 4.918 -4.315 -0.092) 6.543 23.181 ( -5.553 -8.063 -5.700) 11.328 ======================= Grid point 73 (31/70) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -16.050 9.207 -6.194) 19.512 0.874 ( -17.296 12.342 4.897) 21.805 1.176 ( 8.951 7.940 -3.713) 12.528 1.531 ( -13.415 27.130 8.745) 31.504 1.581 ( 1.433 1.712 -4.325) 4.867 1.791 ( 5.340 9.347 -4.878) 11.819 2.090 ( -3.788 2.600 10.059) 11.058 2.153 ( -2.321 2.078 2.250) 3.843 2.201 ( -0.181 -0.742 2.405) 2.523 2.247 ( -3.540 4.826 -4.312) 7.377 2.390 ( 6.927 2.515 -8.137) 10.979 2.438 ( 6.694 6.756 0.592) 9.529 2.520 ( 2.556 2.028 -5.308) 6.230 2.613 ( 1.286 0.728 -1.616) 2.190 2.700 ( -2.634 -0.076 2.455) 3.602 2.726 ( 3.190 1.151 -0.131) 3.393 2.891 ( -1.147 -0.147 3.183) 3.387 2.961 ( 2.787 0.553 -1.466) 3.197 3.006 ( 4.889 3.116 -3.788) 6.925 3.063 ( 2.321 -2.407 -3.039) 4.518 3.083 ( -1.083 3.259 4.469) 5.636 3.208 ( 0.631 1.018 -3.894) 4.074 3.340 ( -3.287 -0.725 2.732) 4.336 3.389 ( -0.809 0.276 0.845) 1.202 3.440 ( -2.189 -0.456 3.907) 4.501 3.496 ( 0.719 0.495 -4.826) 4.905 3.550 ( -0.562 0.813 3.818) 3.944 3.564 ( -0.107 -2.652 -2.818) 3.871 3.577 ( -3.080 0.107 7.886) 8.467 3.593 ( -0.980 -0.943 -0.902) 1.632 3.649 ( 2.738 1.015 0.383) 2.945 3.709 ( 0.812 0.509 -3.701) 3.823 3.729 ( 1.803 2.269 1.813) 3.418 3.888 ( -0.504 -1.519 1.246) 2.028 3.950 ( 2.382 -3.200 -7.014) 8.069 4.035 ( 6.220 -0.870 -2.974) 6.949 4.078 ( -4.467 -1.717 1.103) 4.911 4.103 ( -2.461 1.909 -0.596) 3.171 4.133 ( 0.288 -1.110 1.604) 1.971 4.166 ( -1.765 2.333 0.207) 2.933 4.269 ( 0.110 1.123 1.429) 1.821 4.285 ( 1.491 -2.146 3.159) 4.099 4.331 ( -0.605 -1.500 -1.062) 1.935 4.362 ( 2.182 -1.468 -2.738) 3.796 4.381 ( 2.890 -1.841 0.328) 3.443 4.415 ( 2.846 -1.223 3.574) 4.730 4.502 ( -1.065 -0.095 -0.339) 1.121 4.560 ( 3.036 0.947 -1.951) 3.731 4.654 ( -2.810 -0.651 2.154) 3.600 4.687 ( 0.072 -1.434 2.867) 3.207 4.730 ( 1.492 -1.719 -1.448) 2.698 4.774 ( -2.075 -2.644 -0.176) 3.366 4.799 ( 1.235 -1.916 -0.626) 2.363 4.812 ( -1.743 -3.268 0.248) 3.712 4.966 ( -3.830 0.734 4.018) 5.599 5.211 ( 3.339 -3.486 -7.221) 8.686 5.294 ( -0.396 0.280 -0.394) 0.625 5.306 ( -0.890 -3.582 0.991) 3.822 5.420 ( -0.187 2.900 -0.572) 2.962 5.470 ( -1.177 1.176 0.480) 1.731 5.554 ( 2.125 -0.156 -4.167) 4.680 5.616 ( 5.805 -0.347 -5.731) 8.165 5.707 ( -2.556 2.577 0.124) 3.632 5.764 ( -2.319 -1.858 2.492) 3.878 5.827 ( 1.300 2.417 0.231) 2.754 5.899 ( 2.952 -1.555 -0.830) 3.439 6.045 ( -2.742 -4.152 9.037) 10.316 6.167 ( -2.455 -3.060 3.373) 5.174 6.209 ( 1.186 -2.482 -4.863) 5.587 6.319 ( 0.514 4.708 -1.614) 5.004 6.399 ( 1.606 -2.428 -1.381) 3.222 6.408 ( -0.377 6.918 1.530) 7.095 6.579 ( -2.828 4.359 7.224) 8.899 6.730 ( 3.084 0.868 -5.878) 6.695 6.925 ( -2.475 -0.227 3.047) 3.932 6.963 ( -2.723 1.760 1.720) 3.670 7.087 ( -1.764 1.114 3.354) 3.950 7.173 ( 3.374 3.419 -6.663) 8.213 7.331 ( -0.310 1.941 -1.487) 2.465 7.481 ( 0.935 -2.543 -2.719) 3.838 7.539 ( -2.086 -1.049 2.236) 3.233 7.602 ( -1.846 2.298 0.726) 3.036 7.710 ( -0.161 10.980 3.164) 11.428 7.839 ( 4.497 11.735 -2.171) 12.753 8.469 ( -1.243 7.557 1.750) 7.856 8.628 ( 3.178 10.504 -2.391) 11.232 8.785 ( -6.953 9.632 9.674) 15.320 9.171 ( 5.912 8.932 -8.666) 13.778 9.526 ( -2.009 4.035 2.435) 5.123 9.596 ( 0.738 0.287 0.560) 0.969 9.650 ( -1.207 4.102 1.249) 4.455 9.803 ( 3.616 4.557 -4.041) 7.083 9.880 ( 1.016 5.507 4.123) 6.954 9.954 ( 1.613 6.627 -3.808) 7.811 10.013 ( -1.874 3.344 0.788) 3.914 10.111 ( 3.302 7.488 -0.638) 8.208 10.505 ( -8.520 1.893 6.617) 10.953 10.831 ( 5.461 -1.778 -4.133) 7.076 10.857 ( -0.305 2.037 2.579) 3.301 10.931 ( 1.936 5.949 -1.103) 6.352 11.494 ( -7.121 -2.097 12.746) 14.750 11.800 ( 0.051 0.111 3.421) 3.423 11.826 ( -0.110 -1.037 -9.990) 10.044 11.922 ( 4.077 -0.649 -4.134) 5.842 12.295 ( 1.242 0.382 2.792) 3.079 12.321 ( 0.051 -1.756 -0.783) 1.924 12.452 ( -2.596 -0.884 3.540) 4.478 12.647 ( 2.645 -2.417 -2.170) 4.189 12.704 ( -0.011 1.119 -0.023) 1.119 12.740 ( 0.271 0.422 -0.484) 0.697 13.165 ( -4.436 3.511 -2.975) 6.392 13.334 ( 5.295 -0.835 0.936) 5.441 13.556 ( -2.289 -2.566 6.313) 7.188 13.732 ( 3.357 -1.349 -2.800) 4.575 14.119 ( -1.761 -0.169 5.317) 5.603 14.193 ( 0.497 1.511 -0.753) 1.760 14.306 ( -0.606 4.246 2.360) 4.895 14.446 ( 2.960 1.387 -2.865) 4.347 14.721 ( -2.420 3.533 -2.590) 5.005 14.763 ( 1.199 4.655 -6.731) 8.271 15.688 ( -7.471 1.637 -1.537) 7.801 15.912 ( 5.837 4.527 -2.199) 7.707 16.216 ( 1.070 -1.735 4.001) 4.490 16.344 ( 2.533 4.017 -8.131) 9.416 16.869 ( -0.978 3.500 -0.787) 3.719 16.903 ( 1.628 2.767 -0.754) 3.298 17.195 ( -4.443 11.050 10.492) 15.872 17.429 ( 3.428 10.621 -3.296) 11.637 17.903 ( 0.512 -1.793 -0.345) 1.896 18.201 ( 8.414 -5.528 -4.139) 10.886 18.627 ( 0.042 0.364 1.550) 1.593 18.697 ( 5.845 4.102 14.490) 16.154 19.514 ( -7.836 0.039 11.708) 14.088 19.863 ( 2.850 0.905 -8.008) 8.548 20.140 ( -0.810 -6.686 9.695) 11.805 20.222 ( -8.187 -8.159 -11.792) 16.512 21.497 ( -9.832 -2.360 1.301) 10.194 21.652 ( -7.825 -4.881 4.696) 10.350 21.818 ( 6.337 -2.115 -0.534) 6.702 21.870 ( 3.387 -0.662 -1.882) 3.931 22.782 ( 0.761 -3.388 4.663) 5.814 22.893 ( 0.237 -6.689 -11.720) 13.497 23.002 ( -5.434 -5.806 -8.697) 11.784 23.188 ( 9.941 -5.753 5.094) 12.565 ======================= Grid point 74 (32/70) ======================= q-point: (-0.17 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -7.510 21.387 8.373) 24.165 0.704 ( -11.735 19.442 11.009) 25.237 1.221 ( 3.065 8.323 -7.104) 11.363 1.350 ( -20.797 36.641 14.864) 44.677 1.567 ( 0.607 6.068 2.111) 6.453 1.775 ( 0.881 13.828 -10.337) 17.287 2.138 ( -3.628 0.516 4.792) 6.033 2.173 ( -1.050 0.540 7.852) 7.940 2.210 ( 6.495 -3.029 -3.220) 7.857 2.262 ( 0.954 -0.325 6.105) 6.188 2.429 ( 7.830 1.582 -6.995) 10.618 2.480 ( 0.768 3.160 -3.369) 4.682 2.510 ( 4.448 1.758 -7.288) 8.718 2.613 ( -0.139 -0.625 -1.028) 1.211 2.668 ( -1.236 2.677 -2.182) 3.668 2.779 ( 2.707 -0.490 -0.947) 2.909 2.927 ( -3.058 -0.210 0.326) 3.083 2.960 ( 1.588 -0.335 2.968) 3.383 3.004 ( 1.149 2.691 -2.739) 4.008 3.068 ( 0.133 -0.746 -1.629) 1.797 3.156 ( 3.662 1.751 -5.560) 6.884 3.195 ( 1.653 -2.544 7.897) 8.460 3.290 ( -4.029 -0.834 0.508) 4.146 3.378 ( -3.262 2.441 -2.468) 4.763 3.408 ( 0.509 -0.918 2.153) 2.396 3.481 ( -3.498 2.030 3.475) 5.332 3.544 ( -1.279 2.394 -0.500) 2.760 3.567 ( -2.127 1.630 -0.119) 2.682 3.583 ( 0.594 -1.915 -1.020) 2.250 3.598 ( 2.510 -2.405 2.348) 4.195 3.682 ( 1.337 0.533 -0.245) 1.460 3.715 ( 2.372 1.238 1.016) 2.862 3.754 ( -0.892 1.793 1.669) 2.606 3.877 ( -1.268 -1.183 -0.847) 1.930 3.957 ( 3.664 -3.000 -0.840) 4.810 4.041 ( 2.402 -1.864 -3.063) 4.316 4.063 ( 1.242 0.213 -0.341) 1.305 4.103 ( -0.211 0.920 0.036) 0.945 4.149 ( 4.642 -0.855 0.469) 4.743 4.200 ( -0.096 -3.689 0.656) 3.748 4.251 ( -1.050 -3.901 -1.207) 4.217 4.287 ( -1.523 -0.683 0.917) 1.904 4.340 ( -2.991 -1.740 -4.061) 5.335 4.363 ( 2.513 0.112 2.110) 3.283 4.395 ( 0.692 -0.519 0.414) 0.959 4.487 ( -0.242 -0.541 2.263) 2.339 4.531 ( 0.418 0.801 3.014) 3.146 4.538 ( -2.620 0.960 -2.100) 3.493 4.624 ( -2.826 -1.275 1.744) 3.557 4.711 ( 3.074 0.833 -1.809) 3.663 4.730 ( -0.822 -0.740 -1.097) 1.557 4.764 ( -0.303 -1.795 0.925) 2.042 4.777 ( -1.490 -1.580 1.175) 2.469 4.818 ( 0.521 1.187 0.045) 1.297 4.949 ( -4.669 1.433 6.153) 7.856 5.201 ( 3.886 -1.370 -3.086) 5.148 5.284 ( -2.135 -3.994 -0.556) 4.563 5.309 ( 5.739 0.075 -5.246) 7.776 5.417 ( 0.652 1.287 -1.304) 1.945 5.456 ( -0.178 3.246 0.009) 3.251 5.527 ( 1.634 -0.385 -5.735) 5.976 5.615 ( 1.863 4.373 -5.379) 7.178 5.675 ( -0.528 -1.619 -0.990) 1.970 5.753 ( -2.444 0.246 2.532) 3.528 5.847 ( 1.238 1.901 -0.047) 2.269 5.922 ( 1.492 -1.047 -2.488) 3.085 6.087 ( -3.577 -4.223 7.043) 8.958 6.165 ( -0.356 -2.309 0.961) 2.527 6.200 ( 1.147 -1.192 -1.337) 2.127 6.295 ( -0.070 5.020 -2.960) 5.828 6.408 ( 1.346 -1.750 -1.389) 2.608 6.432 ( -0.297 2.994 3.126) 4.339 6.609 ( -2.360 3.233 5.333) 6.668 6.737 ( 4.460 0.610 -4.386) 6.285 6.919 ( -3.034 1.398 4.266) 5.418 6.946 ( -2.575 -0.990 3.117) 4.163 7.093 ( -2.599 1.918 4.379) 5.442 7.152 ( 3.346 2.649 -6.381) 7.676 7.294 ( 0.420 1.955 -4.404) 4.836 7.457 ( -2.789 1.442 1.708) 3.574 7.528 ( -0.481 -4.299 -0.898) 4.418 7.574 ( -1.736 2.595 -0.001) 3.123 7.738 ( -1.081 10.954 3.343) 11.504 7.897 ( 5.776 11.525 -3.985) 13.493 8.476 ( -0.211 7.975 1.589) 8.134 8.643 ( 1.638 10.108 -2.637) 10.574 8.780 ( -6.905 8.974 9.797) 14.973 9.168 ( 5.637 9.131 -8.625) 13.767 9.522 ( -1.304 4.034 1.763) 4.591 9.625 ( 1.835 0.726 0.837) 2.144 9.647 ( -1.675 4.012 2.365) 4.950 9.811 ( 3.726 2.842 -4.493) 6.492 9.909 ( 0.515 3.382 -1.746) 3.841 9.973 ( 1.790 3.634 0.070) 4.052 9.994 ( -0.517 3.962 -0.661) 4.049 10.125 ( 2.282 8.694 -9.116) 12.802 10.529 ( -3.411 -0.092 17.225) 17.560 10.861 ( 1.050 1.836 -1.558) 2.627 10.898 ( 3.081 -1.474 1.572) 3.760 10.976 ( 5.294 6.345 -0.528) 8.280 11.478 ( -11.782 -8.744 10.117) 17.823 11.723 ( 1.426 -0.588 -9.239) 9.366 11.837 ( -0.988 0.077 3.461) 3.600 11.955 ( 2.930 -1.803 -1.738) 3.855 12.310 ( -1.374 -3.371 1.409) 3.904 12.368 ( 2.627 0.662 1.016) 2.894 12.505 ( 3.660 -2.944 1.412) 4.905 12.658 ( 2.853 -2.946 -5.622) 6.959 12.716 ( 1.384 0.952 0.174) 1.689 12.768 ( 2.978 3.915 2.757) 5.639 13.035 ( -6.085 3.919 -0.174) 7.240 13.372 ( -0.592 -2.157 0.220) 2.248 13.626 ( 3.052 -4.647 -0.150) 5.562 13.744 ( 3.132 -2.942 -4.973) 6.572 14.133 ( -3.210 -2.364 -2.921) 4.942 14.147 ( -0.944 0.343 -0.917) 1.360 14.370 ( 6.212 7.206 5.897) 11.193 14.406 ( -1.442 5.385 -5.170) 7.603 14.580 ( -2.693 3.694 0.325) 4.583 14.814 ( -0.415 8.277 4.507) 9.434 15.563 ( -5.603 5.018 0.544) 7.542 15.957 ( 4.229 7.481 -5.880) 10.412 16.272 ( 1.004 -3.842 2.147) 4.514 16.314 ( 2.072 2.248 -3.547) 4.683 16.846 ( -0.628 3.294 -0.519) 3.393 16.914 ( 1.106 2.135 -1.433) 2.799 17.247 ( -5.077 12.695 11.460) 17.840 17.449 ( 4.230 9.365 -3.586) 10.884 17.970 ( 9.786 1.075 -2.273) 10.104 18.269 ( 5.223 -6.086 -3.649) 8.811 18.569 ( 2.801 -0.232 -6.903) 7.454 19.023 ( 10.713 -3.489 -0.441) 11.276 19.504 ( -9.214 -2.895 6.052) 11.398 19.847 ( 1.760 1.362 -10.129) 10.371 20.035 ( -3.682 -2.798 3.655) 5.895 20.342 ( 3.093 -11.866 24.829) 27.692 21.373 ( -8.202 -3.997 -0.373) 9.132 21.466 ( -17.428 -8.006 -5.960) 20.084 21.871 ( 2.026 -1.221 -0.689) 2.464 21.932 ( 3.470 -0.831 0.660) 3.629 22.735 ( 0.456 -0.589 2.264) 2.383 22.831 ( -0.696 -3.778 3.017) 4.884 22.891 ( -0.995 -3.946 -2.794) 4.936 23.364 ( 5.461 -7.992 2.547) 10.009 ======================= Grid point 75 (33/70) ======================= q-point: ( 0.00 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -1.940 20.617 9.524) 22.793 1.251 ( 0.875 24.203 6.806) 25.157 1.460 ( 5.370 15.724 -7.899) 18.398 1.726 ( -1.740 12.831 -8.391) 15.430 1.969 ( -1.532 7.684 3.763) 8.692 2.025 ( -3.147 19.287 5.541) 20.313 2.158 ( -4.630 6.692 3.304) 8.783 2.197 ( 0.236 0.799 2.663) 2.790 2.239 ( -0.529 3.404 4.033) 5.304 2.393 ( -2.859 5.462 4.275) 7.503 2.441 ( 2.792 1.197 -5.900) 6.636 2.523 ( 2.210 4.690 -2.239) 5.647 2.607 ( 1.029 1.324 0.492) 1.748 2.662 ( 1.394 3.387 -3.026) 4.751 2.709 ( 4.545 4.974 -4.288) 7.987 2.740 ( 4.606 1.525 -7.203) 8.685 2.896 ( -2.520 0.172 2.771) 3.750 2.962 ( -3.655 -0.122 0.741) 3.731 2.983 ( 0.472 1.890 -3.090) 3.653 3.088 ( 1.102 -0.013 -3.932) 4.084 3.146 ( 0.626 -2.889 3.615) 4.670 3.213 ( 0.461 -1.238 0.700) 1.495 3.243 ( -2.947 0.786 6.679) 7.343 3.390 ( 0.997 -3.747 -2.033) 4.378 3.444 ( 2.968 2.898 -1.383) 4.372 3.484 ( -1.368 -4.882 0.415) 5.087 3.501 ( 0.494 -6.416 2.206) 6.802 3.536 ( -0.753 0.845 -0.208) 1.151 3.567 ( -1.489 0.807 5.205) 5.473 3.616 ( -1.991 4.125 2.005) 5.000 3.715 ( -0.102 -1.405 -1.395) 1.982 3.764 ( 2.144 0.287 -0.118) 2.166 3.786 ( -0.096 -3.497 -1.582) 3.839 3.895 ( -1.874 5.678 2.727) 6.571 3.917 ( 0.271 -4.195 -3.810) 5.674 3.999 ( 2.902 -1.804 1.352) 3.675 4.051 ( 1.662 -1.788 -3.039) 3.899 4.078 ( -2.054 -0.345 1.281) 2.445 4.113 ( 2.103 -4.112 -1.072) 4.741 4.182 ( -0.663 -2.364 2.636) 3.602 4.210 ( -1.153 -1.898 -2.318) 3.210 4.218 ( -1.446 -1.864 0.481) 2.407 4.271 ( 0.990 0.540 -1.302) 1.723 4.382 ( 2.631 -3.260 -1.456) 4.435 4.425 ( -0.399 0.271 -0.167) 0.510 4.445 ( -2.328 0.011 -1.162) 2.602 4.470 ( -1.366 1.276 1.023) 2.131 4.549 ( 0.106 -1.355 0.207) 1.374 4.670 ( -2.663 0.201 -0.121) 2.674 4.694 ( 1.018 2.537 -1.713) 3.225 4.742 ( 0.382 -1.314 1.529) 2.051 4.750 ( 1.377 -2.993 1.560) 3.645 4.799 ( 1.123 3.278 0.859) 3.570 4.864 ( -0.811 2.334 -0.485) 2.518 4.993 ( -2.983 1.140 5.853) 6.667 5.080 ( -2.100 -6.825 -0.348) 7.149 5.219 ( 0.746 -7.827 -0.773) 7.900 5.333 ( 1.567 6.174 -0.976) 6.445 5.408 ( 2.627 -1.382 -2.490) 3.875 5.455 ( 2.245 -4.748 -3.747) 6.452 5.547 ( -0.605 3.662 0.585) 3.758 5.625 ( 1.512 1.719 -2.198) 3.174 5.680 ( 1.917 1.121 -2.986) 3.721 5.758 ( -0.579 0.421 -2.389) 2.494 5.869 ( -2.990 0.505 2.236) 3.767 5.906 ( 1.127 2.690 -1.810) 3.433 6.068 ( -3.213 -1.554 5.070) 6.201 6.093 ( -3.854 -1.162 3.876) 5.588 6.192 ( 1.953 -0.926 -0.904) 2.342 6.309 ( 5.256 -2.131 -6.872) 8.910 6.475 ( -1.472 6.433 2.592) 7.091 6.582 ( 0.969 8.065 -2.044) 8.376 6.659 ( -1.150 2.070 0.546) 2.431 6.719 ( 1.123 -3.712 -1.524) 4.167 6.911 ( -2.189 -0.579 4.592) 5.120 6.945 ( -2.558 -0.882 4.962) 5.652 7.116 ( -0.579 0.361 -0.052) 0.685 7.165 ( 1.980 -0.247 -3.688) 4.193 7.339 ( 4.236 -0.135 -1.073) 4.372 7.389 ( -1.017 -4.590 -1.541) 4.948 7.655 ( -2.046 17.028 2.180) 17.288 7.711 ( -0.000 12.333 0.210) 12.335 8.024 ( -1.820 14.858 2.277) 15.142 8.179 ( 2.767 13.760 -4.504) 14.741 8.687 ( -1.720 9.993 3.290) 10.661 8.824 ( 1.602 8.796 -3.057) 9.449 8.982 ( -6.163 10.656 8.211) 14.797 9.371 ( 6.411 9.874 -9.495) 15.125 9.655 ( -0.962 3.753 3.112) 4.969 9.679 ( -3.218 5.100 4.422) 7.478 9.801 ( 3.445 6.183 -0.721) 7.115 9.857 ( 1.597 2.421 -2.367) 3.743 9.948 ( -2.029 3.887 1.308) 4.576 10.081 ( 0.321 5.153 -0.435) 5.181 10.103 ( 0.069 8.961 -4.229) 9.909 10.194 ( 0.974 7.766 -7.739) 11.007 10.612 ( -1.723 -3.398 10.371) 11.049 10.811 ( -0.215 -6.157 -1.335) 6.303 10.963 ( -1.987 4.424 4.229) 6.435 11.138 ( 2.348 3.526 -2.995) 5.188 11.342 ( -4.952 1.086 6.746) 8.438 11.651 ( 5.035 -2.277 -8.085) 9.793 11.844 ( -2.248 0.984 1.496) 2.874 11.915 ( 1.427 -2.843 -0.191) 3.187 12.251 ( -1.850 -2.576 4.359) 5.391 12.354 ( 0.247 -3.581 0.517) 3.627 12.393 ( -1.962 -4.170 -1.586) 4.874 12.547 ( 2.573 -5.211 -5.190) 7.792 12.740 ( 0.195 0.805 0.701) 1.085 12.826 ( -1.390 4.934 -4.942) 7.120 13.186 ( 3.813 1.868 8.050) 9.102 13.345 ( -0.512 -2.205 4.459) 5.001 13.441 ( -3.090 -4.856 -5.097) 7.688 13.647 ( 2.239 -3.130 -7.861) 8.752 13.994 ( -1.536 -4.475 1.121) 4.862 14.114 ( 0.257 -3.104 -1.925) 3.661 14.440 ( -2.428 2.008 2.205) 3.846 14.578 ( 3.981 3.869 -3.035) 6.327 14.832 ( 1.293 6.340 10.600) 12.419 15.007 ( -1.578 8.843 -0.379) 8.991 15.750 ( 0.335 11.686 4.315) 12.462 15.984 ( 0.163 2.745 -4.988) 5.696 16.223 ( -2.675 0.311 2.776) 3.868 16.416 ( 5.439 7.234 -8.093) 12.141 16.896 ( 0.391 1.037 0.511) 1.220 16.944 ( 0.102 1.169 -1.394) 1.822 17.392 ( -8.265 1.600 10.610) 13.545 17.731 ( 4.014 10.588 -5.824) 12.734 18.151 ( 1.192 0.287 4.992) 5.141 18.244 ( 0.525 5.611 2.883) 6.330 18.565 ( 4.042 -2.951 -0.344) 5.017 18.873 ( -3.569 3.276 -17.649) 18.302 19.471 ( -4.784 3.625 2.437) 6.478 19.706 ( 6.167 -3.823 -7.277) 10.277 19.981 ( -2.099 -8.814 5.248) 10.471 20.118 ( -5.939 -7.012 -1.059) 9.250 21.217 ( 1.483 -1.701 1.933) 2.971 21.289 ( -0.734 -2.369 -1.296) 2.799 21.874 ( 0.557 -0.865 1.032) 1.457 21.928 ( -0.249 -0.723 -1.238) 1.455 22.717 ( -1.568 -5.648 0.917) 5.933 22.766 ( 1.168 -6.490 -1.028) 6.674 22.877 ( 4.344 -7.144 12.646) 15.160 23.174 ( -1.798 -11.263 -2.871) 11.762 ======================= Grid point 76 (34/70) ======================= q-point: ( 0.17 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -0.204 19.004 7.016) 20.259 1.368 ( 1.148 18.400 10.185) 21.062 1.454 ( 4.019 15.729 -7.385) 17.835 1.583 ( 1.947 14.866 -12.725) 19.665 1.978 ( -7.100 7.936 9.334) 14.161 2.014 ( -3.751 12.671 -0.556) 13.226 2.168 ( -0.250 0.878 4.645) 4.734 2.184 ( -4.819 0.150 1.450) 5.034 2.268 ( -0.914 6.745 5.920) 9.021 2.407 ( 1.186 4.709 1.487) 5.078 2.442 ( 3.044 4.273 -5.673) 7.727 2.516 ( 2.326 2.593 -6.582) 7.447 2.598 ( -2.092 0.087 0.812) 2.246 2.637 ( -0.613 1.553 -0.241) 1.687 2.671 ( 1.425 3.267 -3.421) 4.940 2.835 ( 5.929 6.684 -4.274) 9.905 2.888 ( 2.354 3.419 0.836) 4.235 2.913 ( -2.583 3.356 -0.241) 4.242 3.015 ( 1.877 5.212 4.715) 7.274 3.069 ( 3.667 2.824 -4.523) 6.472 3.125 ( -0.280 -3.646 -5.065) 6.248 3.244 ( -0.995 -2.475 4.959) 5.631 3.318 ( 1.029 1.768 5.447) 5.818 3.385 ( 1.216 -3.227 -0.960) 3.580 3.442 ( -1.981 -1.652 -2.035) 3.285 3.465 ( 0.334 2.201 0.715) 2.338 3.503 ( -0.781 -0.682 -1.457) 1.789 3.557 ( 3.153 -0.217 -0.776) 3.254 3.592 ( 0.184 -2.771 3.707) 4.632 3.654 ( -2.507 0.476 5.488) 6.052 3.701 ( 1.556 -2.728 -2.591) 4.071 3.772 ( -0.016 -1.203 -0.687) 1.385 3.795 ( -1.968 -2.947 -3.826) 5.215 3.826 ( 0.091 -2.348 2.412) 3.367 3.905 ( -1.823 2.090 -0.603) 2.838 3.976 ( -4.649 0.757 -0.629) 4.752 4.039 ( -1.710 -3.942 -0.216) 4.303 4.080 ( 0.377 -2.686 -2.836) 3.924 4.121 ( -1.310 -2.090 0.465) 2.510 4.168 ( 1.775 -3.164 -0.724) 3.699 4.195 ( -0.136 -1.111 1.487) 1.861 4.238 ( 0.762 -2.925 2.248) 3.767 4.255 ( -0.136 0.723 -1.774) 1.920 4.382 ( -0.576 0.420 0.153) 0.729 4.399 ( 1.767 -2.088 -3.584) 4.508 4.450 ( 0.048 -0.170 1.255) 1.267 4.477 ( -0.411 0.008 1.884) 1.928 4.549 ( -1.793 -0.091 0.314) 1.823 4.633 ( -0.947 -0.185 1.754) 2.002 4.679 ( -2.662 -0.217 -0.204) 2.678 4.749 ( 0.465 -2.966 -0.262) 3.013 4.774 ( -0.106 -0.998 -0.072) 1.006 4.816 ( -0.001 4.785 1.376) 4.979 4.830 ( -1.761 1.579 -0.732) 2.476 5.010 ( -3.923 2.571 6.189) 7.766 5.022 ( -2.707 -7.516 -1.984) 8.231 5.226 ( 1.657 -8.179 -1.283) 8.443 5.339 ( -0.225 3.218 0.757) 3.313 5.428 ( 4.156 1.133 -5.357) 6.874 5.453 ( 1.240 -5.192 -2.078) 5.728 5.545 ( 0.370 3.625 -0.081) 3.645 5.631 ( 1.581 2.906 -1.747) 3.742 5.694 ( 1.578 0.150 -1.188) 1.981 5.729 ( 2.302 1.099 -2.735) 3.740 5.846 ( -2.836 1.233 2.324) 3.868 5.900 ( -0.599 2.509 -0.425) 2.614 6.046 ( -5.130 -4.821 4.465) 8.337 6.071 ( -3.988 2.161 3.571) 5.773 6.216 ( 1.815 -2.800 -0.576) 3.386 6.321 ( 5.286 -0.691 -6.832) 8.666 6.480 ( -1.485 6.382 2.659) 7.071 6.579 ( 1.127 8.538 -1.693) 8.777 6.626 ( -2.815 2.149 0.519) 3.580 6.731 ( 1.756 -4.072 -1.252) 4.607 6.922 ( -2.083 -0.834 3.746) 4.366 6.970 ( -1.916 -0.685 5.618) 5.975 7.101 ( -0.417 0.654 -0.913) 1.198 7.167 ( 3.194 -0.657 -3.731) 4.955 7.343 ( -1.332 -4.570 -2.280) 5.279 7.411 ( 4.489 -0.881 -0.713) 4.630 7.659 ( -0.165 16.259 2.134) 16.399 7.733 ( 1.842 13.267 0.460) 13.402 8.009 ( -2.941 15.100 2.178) 15.537 8.160 ( 0.900 14.283 -4.027) 14.867 8.690 ( -2.621 9.485 3.561) 10.465 8.819 ( 2.377 10.029 -3.572) 10.908 8.977 ( -5.639 10.179 8.396) 14.349 9.369 ( 5.832 9.768 -8.859) 14.419 9.654 ( -3.034 2.607 3.133) 5.081 9.676 ( -2.599 6.092 3.138) 7.330 9.830 ( 2.126 3.197 -2.544) 4.606 9.883 ( 4.482 4.001 -3.761) 7.088 9.910 ( -3.865 8.261 2.654) 9.499 10.063 ( 1.375 4.828 -1.693) 5.298 10.108 ( 1.079 7.019 0.903) 7.158 10.158 ( 2.417 8.767 -4.435) 10.118 10.671 ( -3.195 -2.407 7.895) 8.851 10.763 ( -2.284 -6.303 -2.850) 7.285 10.961 ( -4.173 3.788 4.058) 6.945 11.114 ( -0.022 5.214 -3.077) 6.054 11.381 ( -0.049 1.233 5.822) 5.951 11.678 ( 8.342 -3.414 -7.299) 11.599 11.810 ( -2.981 1.446 1.019) 3.466 11.950 ( 2.052 -3.036 0.438) 3.691 12.276 ( -1.316 -2.455 4.012) 4.884 12.324 ( -1.275 -1.423 -2.431) 3.092 12.375 ( -1.472 -4.636 3.177) 5.810 12.539 ( 3.273 -4.842 -4.783) 7.552 12.742 ( -0.983 1.952 0.278) 2.203 12.776 ( 0.079 3.975 -0.767) 4.049 13.276 ( -2.827 -1.011 -0.433) 3.033 13.331 ( -1.611 -0.944 0.257) 1.885 13.401 ( -0.349 -2.984 3.007) 4.251 13.634 ( 7.471 -0.507 -5.893) 9.529 13.988 ( -2.392 -4.258 2.376) 5.430 14.108 ( 2.275 -3.928 -1.818) 4.890 14.432 ( -2.463 2.484 2.918) 4.555 14.592 ( 2.137 3.350 -3.488) 5.287 14.879 ( -4.316 9.632 0.581) 10.571 15.015 ( 1.067 2.441 3.702) 4.561 15.811 ( 0.546 11.171 2.894) 11.553 15.940 ( 1.612 2.485 -3.571) 4.639 16.209 ( -2.367 2.749 2.611) 4.470 16.432 ( 6.660 5.013 -7.182) 11.003 16.916 ( 0.867 1.547 0.359) 1.809 16.931 ( 0.541 0.671 -1.218) 1.492 17.376 ( -7.709 5.184 10.162) 13.769 17.742 ( 4.512 5.088 -3.958) 7.869 18.145 ( -5.616 -1.153 1.805) 6.010 18.267 ( -7.936 6.446 8.942) 13.582 18.431 ( -6.669 16.470 -18.291) 25.501 18.743 ( 2.402 -1.106 1.227) 2.915 19.382 ( -3.579 1.128 0.859) 3.849 19.813 ( 10.097 -1.531 -4.729) 11.255 19.970 ( -5.510 -9.056 2.702) 10.939 20.128 ( 4.668 -13.284 6.546) 15.528 21.295 ( 5.840 -2.458 0.341) 6.345 21.343 ( 8.064 -3.108 -0.947) 8.694 21.865 ( -3.082 -0.915 -0.013) 3.215 21.907 ( -0.636 -0.391 -0.318) 0.811 22.695 ( -1.816 -5.063 1.094) 5.489 22.792 ( 2.785 -7.133 -0.759) 7.694 23.032 ( -4.607 -9.970 -0.643) 11.002 23.054 ( -2.386 -10.622 2.363) 11.140 ======================= Grid point 77 (35/70) ======================= q-point: ( 0.33 0.22 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -1.385 15.151 4.989) 16.012 1.413 ( 3.018 16.191 -9.564) 19.045 1.460 ( 3.766 9.780 -0.702) 10.504 1.557 ( 4.236 15.741 -4.788) 16.989 1.895 ( -7.160 12.992 -0.649) 14.849 1.978 ( -4.985 6.593 8.284) 11.702 2.118 ( -4.171 3.381 5.272) 7.525 2.249 ( -0.847 1.511 5.168) 5.451 2.295 ( -0.679 1.953 0.557) 2.142 2.354 ( -2.471 5.737 -2.569) 6.755 2.449 ( 0.273 4.494 -1.542) 4.758 2.476 ( 1.372 -1.871 -4.861) 5.386 2.574 ( 1.706 1.156 -2.476) 3.221 2.657 ( 2.646 2.862 -2.635) 4.704 2.712 ( 3.205 3.202 3.635) 5.809 2.825 ( -3.027 2.247 2.354) 4.445 2.887 ( -1.129 0.082 0.788) 1.379 2.975 ( 3.348 8.054 -0.354) 8.729 3.049 ( 5.981 8.095 -10.040) 14.216 3.099 ( 3.227 2.647 -1.483) 4.429 3.128 ( 3.888 1.415 0.420) 4.159 3.251 ( -2.754 -3.738 2.244) 5.157 3.352 ( -5.120 2.941 -0.362) 5.916 3.367 ( 2.747 0.526 -1.009) 2.973 3.447 ( 2.397 0.179 4.006) 4.672 3.482 ( -0.074 4.271 -1.633) 4.573 3.507 ( 1.045 -2.553 2.613) 3.799 3.563 ( -0.534 -1.155 -1.038) 1.642 3.607 ( 1.473 0.372 -3.002) 3.365 3.642 ( -2.491 -0.731 0.005) 2.596 3.697 ( -1.695 -4.206 -1.350) 4.731 3.712 ( -2.586 1.014 -2.028) 3.439 3.759 ( -1.040 -1.110 1.312) 2.008 3.845 ( -0.254 0.701 -1.814) 1.961 3.875 ( -0.621 -1.434 2.751) 3.164 3.945 ( -2.366 0.174 6.301) 6.733 4.008 ( -0.676 -6.358 1.046) 6.479 4.058 ( 0.593 -3.661 1.242) 3.911 4.117 ( -2.367 -3.427 0.345) 4.179 4.167 ( -1.575 -0.408 -1.939) 2.532 4.203 ( 5.765 -0.531 -2.869) 6.461 4.254 ( 0.681 -2.471 -0.410) 2.596 4.290 ( 0.054 -2.038 2.175) 2.981 4.370 ( 0.305 0.658 -2.614) 2.712 4.380 ( -1.101 -0.343 -0.362) 1.209 4.446 ( -2.928 0.658 0.680) 3.077 4.464 ( -1.312 -0.907 0.965) 1.864 4.544 ( 1.067 -1.753 1.993) 2.861 4.608 ( -4.510 -0.471 -1.223) 4.697 4.679 ( 0.984 -0.006 3.297) 3.441 4.742 ( -2.674 -0.369 -1.176) 2.945 4.752 ( 1.032 -2.629 -1.228) 3.079 4.779 ( -1.486 -2.075 -3.083) 4.003 4.840 ( -0.701 2.057 1.578) 2.686 4.971 ( 0.291 -1.728 -0.340) 1.785 5.024 ( -2.653 -0.542 5.888) 6.480 5.237 ( 1.461 -7.844 -1.925) 8.208 5.352 ( 0.268 2.151 1.121) 2.441 5.428 ( 1.909 -0.020 -3.437) 3.932 5.447 ( 1.548 -4.199 -2.119) 4.951 5.552 ( 0.543 3.290 -0.417) 3.361 5.632 ( 1.821 3.119 -2.911) 4.638 5.713 ( 1.853 -0.499 -0.067) 1.921 5.758 ( 2.210 1.556 -0.847) 2.832 5.833 ( -2.089 1.232 2.794) 3.700 5.876 ( -1.465 2.147 -0.204) 2.608 6.021 ( -4.931 -2.834 5.194) 7.702 6.043 ( -3.672 0.767 4.329) 5.728 6.230 ( 1.555 -3.545 -2.683) 4.710 6.331 ( 5.140 -0.331 -6.473) 8.272 6.485 ( -1.465 6.800 2.425) 7.367 6.577 ( 1.204 8.354 -2.275) 8.742 6.597 ( -2.511 1.165 2.659) 3.838 6.741 ( 1.219 -3.013 -1.444) 3.556 6.922 ( -2.530 -1.221 2.850) 4.002 7.000 ( -1.301 -0.766 4.163) 4.429 7.088 ( -0.244 0.821 -0.234) 0.888 7.185 ( 3.595 -0.349 -3.107) 4.764 7.301 ( -0.752 -4.440 -1.487) 4.743 7.453 ( 2.482 -1.147 -2.310) 3.579 7.694 ( 0.922 15.011 2.277) 15.210 7.768 ( 1.301 13.706 0.513) 13.777 7.983 ( -2.704 15.494 1.985) 15.853 8.127 ( 0.451 15.206 -3.531) 15.617 8.682 ( -3.199 10.249 3.676) 11.348 8.820 ( 2.591 10.363 -3.659) 11.292 8.985 ( -5.030 9.425 8.479) 13.639 9.365 ( 5.427 9.418 -8.292) 13.671 9.640 ( -2.189 4.058 2.186) 5.103 9.662 ( -2.872 5.489 2.781) 6.790 9.814 ( 0.748 4.563 -4.618) 6.536 9.862 ( 1.723 4.898 -3.137) 6.066 9.953 ( 1.001 7.528 3.251) 8.260 10.076 ( 1.589 2.750 -0.857) 3.290 10.130 ( -0.346 6.618 1.587) 6.814 10.177 ( 2.558 9.644 -0.312) 9.982 10.681 ( -4.235 -0.351 3.542) 5.532 10.696 ( -0.550 -7.905 -3.108) 8.512 10.926 ( -4.434 4.477 3.486) 7.201 11.089 ( 1.038 6.748 -3.027) 7.468 11.444 ( -0.555 0.916 5.782) 5.881 11.743 ( 8.551 -4.635 -6.796) 11.865 11.781 ( -2.211 1.334 1.610) 3.043 11.971 ( -0.198 -3.004 -0.316) 3.027 12.267 ( -1.330 -0.737 -0.438) 1.583 12.311 ( -0.947 -2.752 1.451) 3.251 12.387 ( -1.865 -5.195 3.745) 6.670 12.545 ( 3.470 -4.464 -4.186) 7.035 12.735 ( 0.397 2.482 -0.137) 2.518 12.778 ( -0.998 1.846 0.899) 2.283 13.198 ( -0.254 0.918 -2.660) 2.826 13.329 ( -1.756 0.775 0.935) 2.135 13.410 ( -1.473 -3.529 3.539) 5.210 13.725 ( 6.360 0.566 -2.481) 6.850 13.980 ( -1.215 -3.496 2.744) 4.607 14.139 ( 1.675 -4.570 0.556) 4.899 14.419 ( -2.126 3.029 1.716) 4.079 14.566 ( -0.099 5.653 -3.679) 6.745 14.821 ( 0.316 9.624 -2.435) 9.932 15.032 ( -2.366 1.137 -0.062) 2.625 15.834 ( 2.629 9.313 -1.240) 9.756 15.942 ( -1.436 3.592 1.193) 4.048 16.211 ( -1.604 5.523 3.470) 6.717 16.462 ( 6.292 3.904 -7.055) 10.228 16.917 ( 0.590 1.097 -0.788) 1.474 16.946 ( 0.913 1.211 0.202) 1.530 17.367 ( -7.055 8.253 10.060) 14.802 17.794 ( 5.816 0.235 -2.964) 6.532 17.999 ( -9.946 14.661 -4.987) 18.405 18.083 ( -7.145 4.502 -1.636) 8.602 18.387 ( 3.140 10.046 3.532) 11.102 18.769 ( -2.297 -2.305 2.294) 3.981 19.407 ( 1.925 -2.358 3.941) 4.980 19.872 ( -0.047 -8.082 0.720) 8.114 19.916 ( -0.730 -4.548 -1.891) 4.979 20.247 ( 1.991 -18.979 -0.279) 19.085 21.446 ( 8.612 -4.703 2.695) 10.176 21.472 ( 8.489 -4.119 -0.959) 9.484 21.799 ( -4.329 0.197 0.089) 4.334 21.874 ( -2.792 0.119 -0.888) 2.933 22.697 ( -0.573 -5.056 1.767) 5.387 22.824 ( 2.410 -6.897 -1.768) 7.516 22.848 ( -3.878 -3.889 -6.239) 8.312 23.073 ( -3.813 -10.963 2.598) 11.894 ======================= Grid point 78 (36/70) ======================= q-point: (-0.50 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -5.643 13.813 1.947) 15.048 1.350 ( -1.236 15.661 -5.488) 16.640 1.445 ( -0.014 14.586 -7.978) 16.625 1.579 ( 9.571 8.763 -8.058) 15.275 1.865 ( -0.084 13.604 6.381) 15.026 1.985 ( -2.676 6.400 4.524) 8.282 2.141 ( -4.639 7.298 9.509) 12.853 2.237 ( -3.167 3.279 1.209) 4.716 2.254 ( -2.180 1.984 -2.515) 3.875 2.358 ( 3.333 1.827 1.616) 4.130 2.442 ( 0.425 -1.340 -3.046) 3.355 2.480 ( 4.148 3.781 -1.000) 5.702 2.577 ( 1.998 4.185 -3.586) 5.863 2.680 ( 2.920 3.009 -1.706) 4.526 2.762 ( -2.842 2.870 4.169) 5.804 2.802 ( -3.852 3.048 2.708) 5.609 2.885 ( 0.961 -3.122 -0.525) 3.308 2.950 ( -2.520 3.328 -0.961) 4.284 3.082 ( 6.541 8.859 -7.246) 13.182 3.116 ( -0.086 0.866 -2.110) 2.282 3.151 ( 0.482 3.642 -1.766) 4.076 3.227 ( 0.549 0.524 -2.391) 2.509 3.282 ( -1.694 -1.393 0.632) 2.282 3.380 ( 0.201 -1.417 -3.922) 4.174 3.485 ( 1.524 3.869 2.720) 4.969 3.504 ( -1.266 -1.051 0.958) 1.903 3.534 ( -0.070 0.099 -0.316) 0.338 3.579 ( 1.303 -0.294 -0.325) 1.375 3.599 ( 0.952 -0.307 -0.410) 1.081 3.616 ( -1.454 0.163 -1.605) 2.172 3.627 ( 1.445 5.928 1.318) 6.242 3.684 ( 0.354 -2.527 -0.509) 2.602 3.725 ( -3.009 0.636 1.484) 3.415 3.872 ( -2.720 -0.121 3.167) 4.176 3.911 ( 3.956 -1.166 2.413) 4.778 3.991 ( -0.345 -2.490 -0.182) 2.520 4.022 ( -2.900 -4.681 2.411) 6.011 4.068 ( 0.976 -3.386 2.559) 4.355 4.086 ( -2.979 -4.231 3.758) 6.396 4.181 ( 2.861 -0.046 1.754) 3.356 4.215 ( -0.290 -5.023 -3.242) 5.985 4.275 ( 3.712 1.960 -1.264) 4.384 4.290 ( -0.315 -2.219 0.529) 2.303 4.340 ( -0.607 1.422 -1.802) 2.374 4.362 ( 0.174 0.381 -0.668) 0.788 4.445 ( -0.439 0.462 -0.201) 0.668 4.463 ( -0.510 -1.367 0.031) 1.460 4.511 ( -1.473 -3.576 -2.245) 4.471 4.582 ( 0.774 -1.028 1.925) 2.316 4.659 ( -3.531 -1.900 -1.563) 4.303 4.708 ( -0.612 -1.483 -0.997) 1.889 4.748 ( 0.389 -2.889 0.480) 2.954 4.767 ( 2.424 -0.618 -1.058) 2.716 4.820 ( -1.074 1.712 -1.308) 2.407 5.009 ( 0.809 1.439 2.525) 3.017 5.056 ( -1.399 -3.205 5.202) 6.269 5.230 ( 0.012 -7.327 -1.136) 7.414 5.355 ( -1.155 3.426 0.264) 3.625 5.425 ( 1.159 -3.939 -0.646) 4.156 5.463 ( 3.661 -1.454 -3.832) 5.496 5.550 ( -0.341 2.429 -0.190) 2.460 5.633 ( 2.636 2.609 -3.285) 4.955 5.737 ( -0.580 -0.229 1.693) 1.804 5.769 ( 0.958 0.760 -1.444) 1.893 5.835 ( -1.946 1.517 3.217) 4.054 5.875 ( 2.351 1.481 -0.675) 2.860 5.998 ( -3.495 1.101 4.316) 5.661 6.057 ( -3.648 -2.305 7.392) 8.560 6.203 ( 0.968 -2.720 -4.973) 5.750 6.341 ( 4.590 -0.960 -6.674) 8.156 6.485 ( -1.710 6.769 2.068) 7.281 6.575 ( 1.152 7.536 -1.399) 7.751 6.605 ( -0.637 1.556 3.599) 3.972 6.734 ( 0.438 -2.139 -2.506) 3.324 6.905 ( -3.080 -1.391 2.722) 4.339 7.009 ( -1.878 -1.165 1.836) 2.873 7.091 ( -0.253 0.709 1.416) 1.604 7.205 ( 2.534 -0.646 -3.116) 4.068 7.301 ( 1.052 -3.566 1.277) 3.931 7.442 ( 1.014 -1.478 -4.538) 4.879 7.721 ( -1.297 14.922 2.470) 15.181 7.778 ( -0.616 13.151 0.381) 13.171 7.974 ( -0.877 15.551 1.858) 15.686 8.108 ( 2.290 15.884 -3.440) 16.413 8.673 ( -2.782 11.258 3.687) 12.168 8.822 ( 2.645 9.821 -3.560) 10.776 8.996 ( -5.307 9.282 8.487) 13.651 9.363 ( 5.637 9.088 -8.250) 13.506 9.629 ( -1.337 4.366 1.107) 4.698 9.655 ( -2.301 6.172 3.702) 7.556 9.776 ( 0.771 5.306 -4.105) 6.752 9.864 ( 2.399 3.624 -3.256) 5.430 9.988 ( -0.941 6.767 2.943) 7.440 10.089 ( 1.423 3.930 -1.780) 4.543 10.145 ( -1.103 6.301 3.116) 7.115 10.212 ( 2.218 9.130 0.307) 9.401 10.622 ( -5.490 0.205 0.081) 5.494 10.680 ( 2.770 -7.500 -2.328) 8.327 10.915 ( -2.240 5.122 4.320) 7.065 11.076 ( 1.719 6.705 -3.253) 7.648 11.481 ( -3.656 0.235 6.469) 7.435 11.778 ( 0.361 0.568 0.847) 1.082 11.796 ( 5.951 -4.092 -5.522) 9.091 11.931 ( -2.483 -2.092 -2.154) 3.897 12.248 ( -0.915 -0.862 0.495) 1.351 12.301 ( -0.224 -2.240 -0.603) 2.331 12.393 ( -2.613 -4.878 3.660) 6.635 12.556 ( 3.202 -4.358 -3.699) 6.552 12.747 ( 0.260 0.849 0.376) 0.964 12.761 ( -0.657 3.063 -0.189) 3.139 13.226 ( 3.187 0.657 1.990) 3.814 13.298 ( -2.074 1.180 -1.087) 2.622 13.447 ( -1.023 -3.270 6.628) 7.461 13.737 ( 1.570 -1.081 -6.295) 6.577 14.017 ( -1.197 -3.145 6.302) 7.144 14.159 ( 0.095 -4.675 0.186) 4.679 14.404 ( -1.691 3.247 1.209) 3.856 14.542 ( 2.787 7.096 -3.538) 8.404 14.842 ( 3.630 8.700 -0.378) 9.434 14.941 ( -4.500 1.878 -5.123) 7.073 15.884 ( 1.481 7.139 0.717) 7.326 15.906 ( -1.399 6.211 -0.224) 6.371 16.225 ( -2.206 5.724 4.176) 7.421 16.474 ( 5.089 5.077 -7.542) 10.419 16.927 ( 0.843 1.107 0.283) 1.420 16.949 ( -0.357 1.159 -0.539) 1.327 17.373 ( -6.316 8.368 10.781) 15.038 17.776 ( 0.575 10.834 -8.506) 13.786 17.916 ( 0.101 9.168 0.931) 9.216 18.005 ( 1.939 -2.790 -2.265) 4.083 18.523 ( 4.543 8.098 9.240) 13.099 18.732 ( -2.159 -1.041 -1.350) 2.750 19.481 ( -2.031 -1.510 8.018) 8.408 19.861 ( -0.989 -8.731 0.471) 8.800 19.906 ( 2.159 -5.509 -2.095) 6.277 20.175 ( -3.108 -17.050 -8.931) 19.497 21.524 ( -3.268 -6.822 1.789) 7.772 21.581 ( 3.101 -5.991 -0.262) 6.751 21.747 ( -1.613 1.629 1.261) 2.616 21.837 ( 1.466 1.237 -1.653) 2.532 22.675 ( -0.969 -3.511 0.212) 3.648 22.813 ( 1.223 -7.481 -4.204) 8.669 22.881 ( 5.904 -4.693 3.375) 8.262 22.999 ( -4.896 -8.725 -2.386) 10.286 ======================= Grid point 79 (37/70) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -5.744 19.926 0.587) 20.746 1.225 ( -7.552 19.586 0.269) 20.993 1.420 ( 6.894 14.947 -7.561) 18.114 1.664 ( 7.230 6.897 -3.289) 10.519 1.928 ( 0.417 8.892 3.597) 9.601 2.041 ( 4.001 8.450 2.608) 9.707 2.158 ( -3.951 9.189 4.261) 10.872 2.210 ( -1.845 3.830 0.867) 4.339 2.221 ( -3.728 4.857 7.266) 9.501 2.386 ( -1.321 2.789 -1.836) 3.590 2.438 ( 3.122 2.771 -2.732) 4.989 2.530 ( 4.988 2.158 -4.109) 6.813 2.560 ( 0.805 4.102 -3.174) 5.249 2.667 ( -2.392 6.164 -2.226) 6.977 2.752 ( -0.505 2.267 -1.157) 2.594 2.767 ( -1.775 1.421 3.067) 3.818 2.918 ( 0.949 -1.359 3.719) 4.071 2.952 ( 2.164 1.989 2.261) 3.708 3.026 ( -3.107 2.668 -3.872) 5.636 3.067 ( -0.058 0.923 -5.267) 5.348 3.132 ( -2.053 -0.552 0.845) 2.288 3.238 ( 3.169 2.861 -4.044) 5.881 3.299 ( -0.765 -1.777 3.284) 3.812 3.358 ( 1.598 -4.592 -1.303) 5.033 3.428 ( -4.098 -0.009 -3.069) 5.120 3.486 ( -2.204 -5.292 -2.241) 6.155 3.505 ( -0.312 -0.721 0.756) 1.090 3.579 ( -2.216 -0.093 2.340) 3.224 3.631 ( 1.247 4.791 -2.942) 5.759 3.633 ( 1.449 4.284 1.484) 4.760 3.681 ( -1.490 2.413 4.872) 5.637 3.709 ( 3.146 0.800 -0.103) 3.247 3.749 ( 4.329 -0.308 1.517) 4.598 3.866 ( -1.468 -0.295 0.263) 1.521 3.904 ( 0.751 -1.126 -4.398) 4.601 4.004 ( 2.306 -1.984 1.942) 3.609 4.009 ( -4.033 -4.009 2.267) 6.122 4.090 ( 0.575 -2.030 2.787) 3.496 4.120 ( -0.509 -0.852 1.999) 2.231 4.176 ( -1.406 -4.458 -2.675) 5.385 4.233 ( -3.651 -1.768 -2.065) 4.551 4.255 ( 1.607 -0.726 1.571) 2.362 4.317 ( 1.767 -0.992 0.233) 2.040 4.327 ( 2.263 -1.052 -3.424) 4.237 4.385 ( -0.749 0.238 -0.817) 1.134 4.422 ( 5.354 2.632 2.889) 6.629 4.467 ( -1.107 -2.119 0.746) 2.504 4.521 ( 2.210 -3.548 0.189) 4.184 4.594 ( -1.805 -3.969 -0.121) 4.362 4.660 ( 4.149 -1.606 2.395) 5.053 4.698 ( 1.031 -0.913 -1.494) 2.032 4.749 ( -0.553 -0.932 -0.395) 1.154 4.780 ( -0.442 0.768 -0.915) 1.274 4.817 ( 2.414 2.699 -0.445) 3.649 5.022 ( -2.900 3.198 2.973) 5.242 5.081 ( 0.162 -6.016 1.080) 6.114 5.218 ( -1.122 -6.619 0.735) 6.754 5.335 ( -0.541 4.367 -0.786) 4.470 5.431 ( 0.681 -1.826 -1.842) 2.682 5.472 ( 2.883 -3.692 -4.172) 6.273 5.542 ( -0.768 2.659 0.643) 2.842 5.642 ( 2.620 1.607 -3.293) 4.504 5.728 ( -1.352 -0.888 -0.041) 1.618 5.768 ( 0.283 1.968 -0.433) 2.035 5.850 ( -0.818 -0.604 3.870) 4.001 5.913 ( 3.331 3.046 -2.696) 5.258 6.008 ( -2.292 0.669 5.798) 6.270 6.071 ( -3.221 -2.489 5.794) 7.081 6.180 ( 1.449 -1.276 -2.383) 3.067 6.329 ( 3.970 -1.966 -7.752) 8.928 6.476 ( -1.929 6.309 2.014) 6.898 6.582 ( 1.590 7.580 -1.468) 7.883 6.649 ( -0.073 2.582 3.601) 4.432 6.707 ( 0.761 -2.703 -2.763) 3.939 6.891 ( -3.131 -1.254 4.171) 5.364 6.984 ( -2.756 -1.064 0.876) 3.082 7.106 ( -0.413 0.570 1.937) 2.061 7.200 ( 1.409 -1.206 -3.160) 3.664 7.334 ( 0.597 -1.500 -0.207) 1.628 7.405 ( 1.204 -3.008 -3.586) 4.834 7.704 ( -3.631 16.117 2.389) 16.693 7.761 ( -1.904 12.160 0.378) 12.314 7.992 ( 0.148 15.111 2.090) 15.255 8.128 ( 4.706 15.500 -3.617) 16.598 8.673 ( -2.038 11.645 3.264) 12.265 8.828 ( 2.360 8.700 -2.887) 9.466 8.998 ( -5.868 9.807 8.432) 14.202 9.366 ( 6.321 9.024 -8.933) 14.184 9.623 ( -1.252 4.025 1.803) 4.585 9.665 ( -1.725 6.832 3.789) 8.001 9.753 ( 1.518 5.704 -3.046) 6.642 9.865 ( 2.169 3.007 -3.270) 4.943 9.990 ( -2.383 3.987 2.375) 5.217 10.084 ( 0.380 5.300 -1.437) 5.504 10.146 ( -1.135 8.814 0.841) 8.927 10.279 ( 5.224 6.903 -0.323) 8.663 10.520 ( -6.674 -0.333 1.272) 6.802 10.729 ( 4.367 -6.277 -0.390) 7.657 10.934 ( -1.332 5.012 3.761) 6.406 11.076 ( 2.803 6.218 -3.061) 7.476 11.462 ( -7.229 -1.072 6.214) 9.592 11.775 ( 2.263 -3.944 -9.686) 10.701 11.812 ( -0.535 0.852 3.534) 3.675 11.893 ( 0.745 -1.369 -0.547) 1.651 12.246 ( -1.529 -1.864 2.294) 3.328 12.308 ( 2.119 -1.869 -0.688) 2.908 12.390 ( -1.834 -4.272 3.101) 5.589 12.566 ( 2.913 -4.831 -3.604) 6.695 12.734 ( -0.813 0.585 0.038) 1.002 12.783 ( 2.117 4.050 0.735) 4.629 13.224 ( -3.435 1.880 -3.166) 5.036 13.311 ( 2.521 -1.453 1.657) 3.349 13.497 ( -2.564 -3.278 6.383) 7.620 13.684 ( 1.977 -3.234 -6.033) 7.125 14.060 ( -2.675 -4.191 6.565) 8.235 14.145 ( -0.819 -4.463 -1.941) 4.936 14.400 ( -0.444 3.464 2.225) 4.141 14.564 ( 4.750 6.151 -5.254) 9.381 14.794 ( -5.585 5.153 -3.953) 8.566 14.923 ( 4.378 8.595 1.703) 9.795 15.813 ( -5.059 10.142 -0.672) 11.354 15.969 ( 3.680 3.407 0.680) 5.061 16.231 ( -2.685 3.706 4.268) 6.258 16.461 ( 4.118 7.119 -8.140) 11.572 16.924 ( -1.315 0.979 -0.783) 1.817 16.946 ( 0.626 1.211 0.326) 1.402 17.399 ( -6.836 4.358 12.474) 14.877 17.720 ( 3.168 16.627 -6.735) 18.217 17.921 ( 3.613 1.776 -1.882) 4.445 18.087 ( 7.143 0.101 -0.847) 7.193 18.624 ( -1.850 -0.758 -2.204) 2.975 18.786 ( 10.187 4.114 4.757) 11.972 19.515 ( -5.892 0.036 9.772) 11.411 19.861 ( 5.691 -2.406 -8.141) 10.220 19.948 ( -0.932 -11.078 6.232) 12.745 20.004 ( -4.648 -11.892 -4.354) 13.490 21.424 ( -8.720 -4.423 1.249) 9.856 21.536 ( -7.881 -5.713 0.897) 9.775 21.795 ( 4.171 -0.085 0.528) 4.205 21.865 ( 3.550 0.396 -1.553) 3.895 22.695 ( 0.303 -4.750 2.992) 5.622 22.760 ( -0.193 -5.957 -6.047) 8.490 22.875 ( -4.749 -6.180 -4.178) 8.843 23.042 ( 7.431 -7.811 3.302) 11.276 ======================= Grid point 80 (38/70) ======================= q-point: (-0.17 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -5.380 21.794 5.911) 23.213 1.185 ( -0.496 25.016 3.701) 25.293 1.451 ( 6.400 14.418 -7.565) 17.495 1.737 ( 2.641 9.787 2.009) 10.334 1.981 ( 2.347 6.926 -1.291) 7.426 2.059 ( -4.440 17.940 -0.161) 18.482 2.154 ( 0.535 0.071 3.167) 3.213 2.200 ( -1.634 3.274 2.144) 4.240 2.220 ( -6.682 13.141 5.624) 15.779 2.359 ( -1.940 6.516 6.311) 9.277 2.459 ( 3.181 1.397 -4.782) 5.911 2.536 ( 0.172 1.902 -1.966) 2.741 2.560 ( 6.903 3.442 -5.301) 9.359 2.628 ( 1.543 4.130 -3.410) 5.574 2.737 ( 0.757 2.977 -3.335) 4.534 2.766 ( -0.438 -1.133 -0.645) 1.376 2.927 ( -3.064 1.143 -1.381) 3.550 2.981 ( 1.830 2.375 1.232) 3.242 3.017 ( 1.816 -0.826 -4.215) 4.664 3.059 ( 0.148 -4.817 6.601) 8.173 3.104 ( -2.040 -0.439 1.885) 2.813 3.211 ( 0.142 0.624 -4.036) 4.086 3.280 ( -4.902 -0.715 2.582) 5.587 3.371 ( 0.538 -2.489 0.138) 2.550 3.410 ( 2.324 0.909 1.279) 2.804 3.454 ( -0.012 -4.572 1.911) 4.955 3.516 ( 0.263 -5.118 0.367) 5.138 3.552 ( -4.862 -0.589 0.637) 4.939 3.575 ( -0.784 3.340 -1.919) 3.931 3.647 ( -2.153 3.010 1.815) 4.122 3.703 ( 0.564 0.574 1.159) 1.411 3.759 ( 2.622 0.547 -2.131) 3.422 3.810 ( 0.275 2.600 -2.963) 3.951 3.847 ( 0.963 -0.484 3.880) 4.027 3.915 ( 3.305 0.028 -2.349) 4.055 3.983 ( -0.206 -3.339 -0.035) 3.346 4.059 ( -0.455 -0.036 1.280) 1.359 4.084 ( -2.497 -3.235 -2.286) 4.682 4.105 ( 1.864 -3.523 0.934) 4.094 4.144 ( 1.312 -0.113 -0.134) 1.324 4.210 ( 1.810 -1.014 -0.140) 2.080 4.256 ( -2.320 -1.190 -2.032) 3.305 4.300 ( -0.152 -2.775 -2.295) 3.604 4.356 ( 2.428 -1.839 -0.617) 3.108 4.401 ( 0.207 0.337 2.676) 2.705 4.451 ( -1.277 -0.944 0.550) 1.680 4.514 ( 1.068 -0.373 2.324) 2.585 4.556 ( -0.531 -2.505 -2.435) 3.533 4.628 ( 4.513 0.355 4.209) 6.181 4.694 ( 0.921 -2.455 -0.513) 2.672 4.734 ( 0.070 -0.032 0.595) 0.599 4.741 ( -1.493 1.022 -1.171) 2.155 4.758 ( 2.604 1.196 -0.274) 2.879 4.853 ( 1.581 2.261 0.619) 2.828 4.997 ( -3.501 1.985 3.082) 5.069 5.095 ( 0.242 -5.997 0.352) 6.012 5.213 ( 0.081 -6.917 0.190) 6.920 5.323 ( 1.376 5.559 -2.311) 6.176 5.413 ( 0.149 -1.049 -1.914) 2.188 5.465 ( 1.915 -4.882 -3.885) 6.527 5.543 ( -0.501 3.311 1.382) 3.623 5.636 ( 1.298 1.021 -3.387) 3.768 5.699 ( 0.093 0.558 -2.749) 2.806 5.773 ( 0.119 0.989 0.145) 1.006 5.877 ( -1.540 -0.829 3.544) 3.952 5.914 ( 1.711 3.329 -3.618) 5.206 6.045 ( -1.642 -0.202 5.726) 5.961 6.090 ( -2.073 -2.127 4.951) 5.773 6.182 ( 1.061 -0.498 -1.396) 1.823 6.310 ( 4.444 -2.766 -7.590) 9.220 6.472 ( -1.578 6.347 2.419) 6.973 6.589 ( 1.713 8.412 -2.569) 8.961 6.656 ( -0.675 0.107 1.051) 1.253 6.718 ( 1.166 -1.597 -0.378) 2.013 6.895 ( -2.650 -0.857 4.947) 5.677 6.951 ( -3.091 -0.840 2.410) 4.009 7.117 ( -0.390 0.448 1.214) 1.351 7.183 ( 0.841 -0.505 -3.162) 3.310 7.315 ( 1.682 0.038 -3.662) 4.030 7.406 ( 0.151 -4.610 -0.146) 4.615 7.672 ( -3.027 16.971 2.148) 17.372 7.729 ( -2.198 11.868 0.373) 12.076 8.017 ( -0.416 14.847 2.277) 15.026 8.166 ( 4.716 14.293 -4.167) 15.617 8.678 ( -1.566 11.112 3.004) 11.617 8.831 ( 1.500 7.989 -2.497) 8.503 8.992 ( -6.135 10.453 8.215) 14.643 9.370 ( 6.713 9.472 -9.627) 15.082 9.632 ( -0.693 4.394 2.677) 5.191 9.677 ( -2.465 5.464 4.401) 7.436 9.761 ( 2.872 6.588 -1.929) 7.441 9.862 ( 1.579 2.482 -2.775) 4.044 9.968 ( -2.504 2.860 1.363) 4.038 10.077 ( 0.250 5.518 -0.444) 5.542 10.136 ( 0.346 9.020 -1.816) 9.208 10.291 ( 1.264 6.833 -9.423) 11.708 10.509 ( -2.084 -2.506 11.115) 11.583 10.793 ( 2.957 -6.152 0.162) 6.828 10.948 ( -1.444 4.996 3.104) 6.057 11.105 ( 4.221 5.274 -2.392) 7.166 11.394 ( -8.758 -1.142 6.028) 10.693 11.693 ( 1.534 -2.471 -8.628) 9.105 11.841 ( -0.058 0.128 1.943) 1.948 11.906 ( 0.261 -2.049 0.377) 2.100 12.244 ( -2.427 -2.428 3.398) 4.830 12.337 ( 1.131 -3.065 0.307) 3.281 12.409 ( 0.477 -5.118 1.087) 5.254 12.564 ( 2.333 -5.417 -4.664) 7.519 12.731 ( 0.235 0.742 0.096) 0.785 12.845 ( 4.082 3.438 -0.298) 5.345 13.125 ( -3.639 4.242 -0.840) 5.652 13.330 ( -1.356 -1.954 1.611) 2.873 13.504 ( -1.012 -6.208 -0.185) 6.292 13.677 ( 1.978 -3.548 -3.026) 5.065 14.042 ( -2.930 -5.093 -2.019) 6.212 14.118 ( -0.899 -2.704 1.576) 3.256 14.444 ( 0.528 1.202 2.886) 3.170 14.555 ( 3.253 6.664 -6.303) 9.732 14.730 ( -1.677 8.545 5.100) 10.092 15.000 ( 1.638 8.977 2.068) 9.356 15.742 ( -3.060 11.804 0.935) 12.230 16.010 ( 1.378 2.042 -1.318) 2.794 16.231 ( -2.643 1.053 3.559) 4.556 16.433 ( 4.068 8.109 -8.568) 12.478 16.898 ( -0.784 0.814 -0.322) 1.175 16.952 ( 0.201 1.390 -0.489) 1.487 17.408 ( -8.607 0.448 11.801) 14.613 17.724 ( 4.862 16.197 -5.688) 17.842 18.018 ( 8.040 1.589 1.442) 8.321 18.183 ( 4.612 2.454 0.412) 5.240 18.556 ( 0.188 -1.098 -4.681) 4.812 18.967 ( 8.566 -1.817 -5.496) 10.339 19.495 ( -3.416 0.729 1.313) 3.732 19.772 ( -3.669 -7.507 -4.907) 9.690 19.961 ( 0.031 -6.056 2.133) 6.421 20.110 ( 3.990 -9.117 8.842) 13.313 21.290 ( -8.965 -3.280 -0.068) 9.546 21.376 ( -8.882 -3.219 -1.004) 9.500 21.847 ( 2.028 -0.736 -0.063) 2.158 21.915 ( 2.825 -0.571 -0.118) 2.885 22.715 ( 0.477 -2.671 0.385) 2.740 22.730 ( 0.141 -4.463 3.552) 5.706 22.785 ( -1.631 -5.783 -1.975) 6.325 23.164 ( 4.109 -10.442 0.675) 11.242 ======================= Grid point 81 (39/70) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -1.663 18.438 6.263) 19.544 1.700 ( 3.605 17.771 -0.941) 18.158 1.809 ( 1.090 18.176 -1.873) 18.304 1.987 ( 1.178 11.850 -6.249) 13.448 2.084 ( -1.456 3.091 3.285) 4.740 2.097 ( -0.428 2.166 0.213) 2.218 2.199 ( -1.925 2.534 2.182) 3.858 2.284 ( -3.362 5.497 4.222) 7.704 2.441 ( 0.526 2.938 -3.118) 4.316 2.463 ( 1.055 6.416 -3.484) 7.377 2.554 ( -1.457 -0.699 1.651) 2.310 2.619 ( 2.733 4.527 0.922) 5.368 2.645 ( -2.709 1.906 -0.327) 3.329 2.711 ( -5.437 1.437 1.042) 5.719 2.758 ( 3.287 2.775 -3.772) 5.722 2.807 ( 6.464 0.219 -1.895) 6.740 2.860 ( -2.041 -4.684 1.095) 5.225 2.983 ( 3.382 -7.096 -2.091) 8.134 3.024 ( 0.638 2.697 1.451) 3.128 3.085 ( -2.199 8.046 1.933) 8.562 3.130 ( 0.563 -2.754 0.680) 2.892 3.169 ( 0.364 1.222 3.393) 3.624 3.277 ( -2.278 0.970 5.418) 5.957 3.327 ( 2.271 1.132 -1.252) 2.829 3.337 ( -0.222 -6.484 2.444) 6.933 3.426 ( -0.964 1.588 0.106) 1.861 3.480 ( 3.538 -1.002 -1.943) 4.159 3.507 ( -1.809 -7.590 0.434) 7.814 3.554 ( -0.886 -0.298 1.265) 1.573 3.631 ( -0.010 -0.811 -0.992) 1.281 3.730 ( -4.548 1.939 2.452) 5.519 3.737 ( 0.308 0.597 1.057) 1.252 3.830 ( 3.949 4.677 -2.604) 6.652 3.839 ( -1.153 -3.040 -1.863) 3.747 3.932 ( 2.981 -3.042 -3.120) 5.279 3.968 ( -0.085 -1.275 -0.474) 1.363 4.022 ( 1.479 -0.119 -1.273) 1.955 4.051 ( -0.667 -1.006 -0.961) 1.543 4.088 ( -5.059 -0.666 -1.674) 5.370 4.118 ( 1.740 -5.314 0.146) 5.594 4.157 ( -0.500 0.799 1.944) 2.160 4.186 ( -2.152 -2.633 -1.147) 3.589 4.289 ( 3.080 -0.240 1.367) 3.379 4.335 ( 1.585 -0.815 -0.094) 1.785 4.393 ( -2.023 -2.857 0.270) 3.511 4.461 ( 1.156 -1.038 -0.424) 1.610 4.501 ( -0.642 3.219 0.599) 3.337 4.546 ( 0.400 1.436 -0.358) 1.533 4.617 ( -1.216 -4.718 0.835) 4.944 4.674 ( 1.798 -2.339 -1.617) 3.364 4.710 ( -0.762 -0.503 0.054) 0.915 4.727 ( -1.035 -1.067 -0.503) 1.569 4.883 ( 2.110 3.228 -0.370) 3.874 4.925 ( 0.800 1.867 -0.531) 2.099 4.965 ( -0.827 -1.511 0.539) 1.805 4.993 ( -0.043 -3.080 0.120) 3.082 5.123 ( -7.013 0.122 7.676) 10.398 5.306 ( -1.013 -6.266 0.854) 6.405 5.412 ( 4.250 -0.053 -6.028) 7.376 5.464 ( 2.651 4.917 -2.576) 6.151 5.617 ( -0.374 2.371 1.348) 2.753 5.656 ( 1.368 0.725 -1.809) 2.381 5.696 ( 1.104 2.038 0.424) 2.357 5.783 ( -0.508 2.127 -2.045) 2.994 5.890 ( -1.214 1.061 1.666) 2.318 5.940 ( -0.094 -0.031 -1.498) 1.501 6.011 ( -3.251 -1.581 1.849) 4.061 6.124 ( -0.061 -0.375 -0.896) 0.973 6.164 ( -0.468 -0.063 0.681) 0.829 6.273 ( 4.714 -0.627 -4.511) 6.555 6.592 ( -1.108 4.310 2.976) 5.354 6.615 ( -0.625 -3.587 4.085) 5.472 6.691 ( -0.559 1.884 -1.894) 2.729 6.747 ( 1.382 4.807 -3.379) 6.036 6.901 ( -0.827 -1.172 3.022) 3.346 6.913 ( -1.890 -1.481 3.129) 3.944 7.116 ( -0.498 -0.124 0.175) 0.542 7.142 ( 0.659 -1.566 -0.751) 1.858 7.311 ( -1.884 -3.006 -0.858) 3.650 7.338 ( 3.916 0.446 -2.312) 4.570 7.985 ( -0.712 12.302 2.093) 12.499 8.047 ( -0.420 18.845 -0.615) 18.859 8.316 ( -1.268 12.863 1.891) 13.063 8.454 ( 2.861 12.007 -4.641) 13.187 8.875 ( -2.874 7.210 3.853) 8.665 8.999 ( 2.559 8.671 -3.537) 9.708 9.189 ( -4.949 9.392 7.280) 12.873 9.530 ( 5.426 4.758 -8.138) 10.877 9.730 ( -1.908 4.946 3.363) 6.278 9.761 ( -2.777 1.805 3.340) 4.703 9.897 ( 3.221 2.939 -4.631) 6.361 9.910 ( 3.097 1.717 -3.022) 4.655 10.040 ( -1.733 4.683 4.153) 6.495 10.179 ( -0.408 4.031 -1.354) 4.272 10.276 ( -1.692 6.224 -1.277) 6.575 10.336 ( 1.280 5.738 -3.417) 6.800 10.520 ( 0.766 -4.613 6.156) 7.730 10.648 ( -1.105 -8.767 -0.342) 8.843 11.067 ( -2.089 4.873 3.217) 6.202 11.204 ( 1.740 2.840 -2.698) 4.286 11.367 ( -2.388 1.138 3.842) 4.665 11.596 ( 4.279 -2.656 -7.289) 8.860 11.855 ( 0.473 -1.050 1.959) 2.273 11.881 ( -1.776 0.604 0.421) 1.923 12.214 ( -2.271 -1.024 4.526) 5.166 12.275 ( -0.591 -3.565 1.336) 3.853 12.317 ( -0.471 -2.715 -0.774) 2.862 12.446 ( 2.392 -4.128 -4.366) 6.467 12.763 ( -0.868 1.372 2.313) 2.826 12.912 ( 1.339 3.486 -4.923) 6.179 13.222 ( 1.832 0.973 3.667) 4.213 13.306 ( -0.728 -1.208 3.976) 4.218 13.346 ( -2.847 -4.024 -0.989) 5.028 13.586 ( 2.852 -2.640 -6.015) 7.161 13.911 ( -1.924 -3.427 1.387) 4.168 14.043 ( 0.450 -3.356 -2.792) 4.389 14.465 ( -1.849 0.640 3.173) 3.728 14.643 ( 3.681 2.037 -5.505) 6.928 14.921 ( -1.235 1.876 8.945) 9.223 15.129 ( -0.312 2.215 -2.216) 3.149 16.041 ( 1.021 16.495 1.779) 16.622 16.131 ( -1.188 11.968 -2.023) 12.195 16.316 ( -1.818 8.100 4.372) 9.382 16.593 ( 4.416 9.063 -8.985) 13.504 16.861 ( 0.405 -4.534 1.263) 4.724 16.928 ( -0.465 -3.382 -2.047) 3.980 17.334 ( -5.319 -6.152 11.189) 13.832 17.766 ( 3.799 -5.434 -10.793) 12.667 18.339 ( -4.248 16.774 11.022) 20.516 18.452 ( -1.083 11.305 0.039) 11.357 18.501 ( 3.315 -2.199 2.556) 4.728 18.921 ( 3.425 2.090 -12.577) 13.201 19.513 ( -0.920 -0.827 0.117) 1.242 19.552 ( 1.034 -9.603 0.128) 9.659 19.755 ( -3.535 -11.362 6.396) 13.509 20.038 ( 0.698 -1.976 -6.958) 7.267 21.185 ( -0.383 -1.375 1.354) 1.967 21.243 ( -0.132 -1.942 -1.145) 2.258 21.867 ( -0.140 0.177 1.221) 1.241 21.925 ( 0.531 0.499 -1.304) 1.494 22.596 ( -0.205 -5.758 0.585) 5.792 22.633 ( -0.221 -5.919 -1.094) 6.023 22.785 ( 1.519 -2.407 6.211) 6.832 22.969 ( -0.732 -8.360 -2.453) 8.743 ======================= Grid point 82 (40/70) ======================= q-point: ( 0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -0.747 16.677 4.057) 17.180 1.749 ( 2.767 16.238 -0.819) 16.493 1.788 ( -1.542 17.280 -1.354) 17.401 1.892 ( -1.039 13.592 -5.046) 14.536 2.074 ( 0.196 2.120 -0.651) 2.226 2.148 ( -6.144 6.234 6.862) 11.121 2.178 ( 3.744 1.225 -0.687) 3.999 2.277 ( -3.643 6.367 3.497) 8.127 2.392 ( -1.911 5.776 -0.523) 6.107 2.484 ( 2.127 3.743 1.254) 4.484 2.515 ( -2.354 -0.853 -1.910) 3.149 2.584 ( -5.346 5.484 -2.042) 7.927 2.630 ( -2.797 1.488 -0.634) 3.231 2.682 ( 2.622 -0.274 1.151) 2.876 2.743 ( 1.469 2.656 -4.702) 5.597 2.846 ( -2.448 -3.485 2.684) 5.034 2.872 ( 3.070 -0.312 -0.217) 3.094 2.990 ( 0.993 -3.810 -2.968) 4.930 3.021 ( -0.157 -1.234 -0.827) 1.494 3.084 ( -0.135 -6.120 0.524) 6.144 3.199 ( 2.622 5.678 3.683) 7.258 3.271 ( 5.861 4.648 3.946) 8.457 3.315 ( 1.181 -0.498 1.872) 2.268 3.338 ( 2.285 -0.746 -2.962) 3.815 3.391 ( 1.791 -1.716 3.177) 4.031 3.398 ( 0.912 -0.162 -1.763) 1.991 3.472 ( -0.003 -7.419 -1.955) 7.672 3.543 ( 4.424 -0.016 -2.485) 5.074 3.580 ( -0.010 -1.919 3.567) 4.050 3.627 ( -0.932 2.017 0.578) 2.296 3.669 ( -3.395 2.712 2.415) 4.971 3.767 ( -2.772 0.034 -2.136) 3.500 3.780 ( 2.290 -0.679 0.328) 2.411 3.852 ( 0.270 3.007 -0.492) 3.059 3.918 ( -2.144 -2.437 -2.347) 4.006 3.939 ( -3.414 -1.174 -3.135) 4.782 3.995 ( 0.820 -6.064 -1.310) 6.258 4.035 ( -0.619 2.184 0.381) 2.302 4.040 ( -1.448 -2.947 1.485) 3.604 4.123 ( -0.868 -3.051 0.153) 3.176 4.155 ( 0.924 -1.305 0.035) 1.599 4.193 ( 0.494 -1.327 2.196) 2.613 4.305 ( -0.201 1.534 -3.915) 4.210 4.359 ( 2.931 -1.884 -0.990) 3.622 4.383 ( -2.261 0.417 3.917) 4.542 4.473 ( 1.198 1.146 -0.826) 1.852 4.479 ( -1.335 1.285 -0.076) 1.855 4.554 ( -2.461 -0.399 -0.517) 2.546 4.602 ( -0.781 -2.886 2.979) 4.221 4.645 ( -2.097 -1.763 -1.518) 3.132 4.684 ( -0.407 -2.554 -0.410) 2.619 4.735 ( 0.516 -1.923 -0.511) 2.055 4.877 ( -1.171 -0.526 -0.597) 1.416 4.896 ( -3.056 4.152 -1.889) 5.491 4.967 ( 1.314 2.241 -0.042) 2.598 5.026 ( 1.338 -4.401 1.837) 4.953 5.089 ( -7.221 -0.098 7.791) 10.623 5.299 ( -0.814 -5.973 0.759) 6.076 5.409 ( 2.825 -0.370 -5.236) 5.961 5.477 ( 2.800 3.711 -2.946) 5.503 5.608 ( -0.488 1.641 -0.966) 1.966 5.671 ( 1.304 0.457 -0.261) 1.406 5.717 ( -0.077 3.579 -0.276) 3.590 5.767 ( 2.377 2.098 -1.699) 3.597 5.877 ( -2.324 1.494 1.809) 3.302 5.928 ( -1.023 -1.038 0.854) 1.689 5.974 ( -3.044 -0.614 1.005) 3.264 6.128 ( 0.186 0.272 1.066) 1.116 6.152 ( -0.459 -1.346 -0.729) 1.598 6.300 ( 4.199 -0.557 -4.231) 5.987 6.603 ( -1.718 4.883 3.233) 6.103 6.641 ( -1.481 -1.722 0.345) 2.298 6.659 ( -0.659 -0.571 0.903) 1.256 6.734 ( 1.606 5.467 -2.852) 6.372 6.907 ( -1.053 -0.821 1.424) 1.952 6.934 ( -0.811 -2.196 3.788) 4.453 7.107 ( -0.475 0.171 -0.173) 0.534 7.152 ( 1.353 -0.811 -0.420) 1.633 7.261 ( -2.059 -3.321 -1.730) 4.274 7.391 ( 4.387 -0.513 -1.553) 4.682 8.009 ( 0.589 13.539 1.835) 13.676 8.046 ( 1.158 17.257 -0.211) 17.297 8.308 ( -2.175 13.316 1.916) 13.628 8.444 ( 2.149 12.254 -4.541) 13.244 8.878 ( -1.822 8.018 3.467) 8.923 9.003 ( 2.403 7.859 -3.085) 8.778 9.186 ( -5.294 10.188 7.310) 13.611 9.522 ( 4.748 4.468 -7.961) 10.290 9.733 ( -2.359 4.746 3.754) 6.494 9.751 ( -2.281 1.945 2.232) 3.737 9.895 ( 2.914 2.663 -4.566) 6.035 9.940 ( 4.289 1.136 -3.348) 5.559 10.056 ( -2.696 5.503 4.747) 7.751 10.146 ( 0.024 3.188 -2.767) 4.221 10.254 ( -1.354 5.969 1.844) 6.392 10.334 ( 2.050 7.089 -2.138) 7.683 10.565 ( -2.125 -7.544 1.399) 7.962 10.629 ( 0.061 -5.477 1.107) 5.588 11.056 ( -3.442 4.621 2.958) 6.477 11.198 ( 1.240 3.278 -2.280) 4.181 11.395 ( 0.269 0.228 3.573) 3.590 11.609 ( 6.824 -2.964 -6.922) 10.162 11.845 ( -1.891 1.756 -0.191) 2.588 11.892 ( 0.159 -2.299 2.543) 3.432 12.238 ( -1.345 -1.176 4.654) 4.985 12.276 ( -0.862 -3.392 0.850) 3.601 12.296 ( -1.010 -1.957 -0.287) 2.221 12.446 ( 3.382 -3.851 -4.257) 6.663 12.770 ( -1.731 1.290 2.676) 3.439 12.872 ( 0.530 4.435 -3.965) 5.973 13.263 ( -1.402 -0.726 -0.681) 1.720 13.286 ( -1.580 -2.766 1.083) 3.364 13.359 ( 0.432 -0.964 3.494) 3.650 13.602 ( 7.541 -2.262 -5.170) 9.419 13.906 ( -2.255 -3.471 3.324) 5.308 14.023 ( 1.405 -3.598 -2.681) 4.702 14.470 ( -2.213 1.141 3.494) 4.290 14.639 ( 3.231 1.273 -5.481) 6.489 14.987 ( -2.589 0.301 7.101) 7.565 15.076 ( -1.775 2.730 -2.996) 4.424 16.085 ( -0.523 13.261 -2.058) 13.430 16.101 ( 2.351 15.032 2.150) 15.366 16.350 ( -0.648 9.933 4.714) 11.014 16.571 ( 5.382 7.888 -9.051) 13.157 16.893 ( 1.027 -4.083 1.210) 4.381 16.899 ( -0.048 -4.277 -1.405) 4.502 17.379 ( -4.998 -4.078 11.366) 13.069 17.705 ( 3.397 -6.792 -9.755) 12.362 18.313 ( -8.581 14.210 4.971) 17.328 18.444 ( -2.962 8.985 4.520) 10.484 18.597 ( 3.231 2.224 1.496) 4.198 18.809 ( 0.820 7.741 -11.802) 14.138 19.399 ( -5.544 -0.722 -1.037) 5.686 19.674 ( 5.883 -11.405 -0.224) 12.835 19.761 ( -4.375 -10.571 8.262) 14.112 19.946 ( -2.077 -3.977 -4.836) 6.596 21.240 ( 4.461 -2.534 1.611) 5.378 21.288 ( 6.620 -2.238 -1.382) 7.124 21.858 ( -2.469 0.291 0.889) 2.640 21.913 ( -0.117 0.959 -1.182) 1.526 22.589 ( -0.871 -4.886 0.295) 4.972 22.644 ( 1.965 -6.750 -0.009) 7.030 22.863 ( -0.901 -5.850 4.331) 7.335 22.895 ( -2.845 -5.761 -3.449) 7.292 ======================= Grid point 83 (41/70) ======================= q-point: ( 0.33 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -0.745 14.658 1.567) 14.760 1.719 ( -2.184 16.337 -2.144) 16.621 1.762 ( 2.752 15.511 -5.578) 16.712 1.860 ( -0.417 12.519 -2.151) 12.709 2.077 ( 0.247 5.228 0.028) 5.234 2.116 ( -2.840 7.885 2.341) 8.702 2.247 ( 2.847 0.237 0.818) 2.972 2.270 ( -1.762 8.972 6.569) 11.258 2.366 ( -3.280 4.921 2.355) 6.365 2.440 ( -2.267 1.228 -5.179) 5.785 2.466 ( -5.727 3.384 1.481) 6.815 2.546 ( -2.034 4.313 5.666) 7.406 2.599 ( 3.480 0.589 -3.638) 5.069 2.714 ( 1.274 2.058 -3.005) 3.858 2.739 ( 1.188 -1.599 2.705) 3.359 2.834 ( -2.618 -2.547 2.477) 4.414 2.886 ( 0.822 1.762 -3.957) 4.409 2.975 ( 1.491 -3.088 -2.956) 4.527 3.033 ( 0.384 -3.333 2.535) 4.205 3.074 ( -0.745 -7.801 -0.082) 7.837 3.270 ( 3.624 7.014 -1.458) 8.029 3.320 ( 2.942 0.663 -6.058) 6.767 3.339 ( 1.156 -2.780 -0.222) 3.019 3.352 ( 1.234 -5.393 -1.457) 5.721 3.418 ( -0.915 -2.272 -2.520) 3.514 3.434 ( -0.331 -2.444 2.803) 3.733 3.488 ( 2.573 0.532 1.846) 3.211 3.565 ( 1.583 -1.124 -4.019) 4.463 3.583 ( 0.488 -0.759 -1.051) 1.385 3.636 ( 0.088 2.234 4.664) 5.172 3.695 ( 2.811 7.331 -0.489) 7.867 3.739 ( -1.188 -5.749 2.244) 6.285 3.774 ( -2.037 0.920 -1.191) 2.533 3.838 ( 1.602 1.296 0.311) 2.084 3.877 ( -2.168 0.273 2.078) 3.016 3.892 ( 0.144 -0.635 -1.504) 1.639 3.990 ( -4.169 -0.768 2.910) 5.142 4.000 ( -1.281 -3.454 0.959) 3.807 4.050 ( 0.475 0.203 0.860) 1.003 4.141 ( 2.073 -2.288 0.077) 3.089 4.159 ( -1.063 0.794 -0.069) 1.329 4.220 ( -0.304 -4.357 2.145) 4.866 4.271 ( 1.316 2.265 -3.080) 4.043 4.362 ( 0.241 -0.130 -2.404) 2.420 4.412 ( 2.174 0.770 2.590) 3.468 4.446 ( -0.602 0.110 -2.180) 2.264 4.474 ( -3.117 1.411 0.005) 3.422 4.507 ( -1.754 -1.259 0.741) 2.283 4.551 ( -2.779 -4.125 -1.421) 5.173 4.654 ( -2.621 -4.368 0.437) 5.113 4.692 ( 3.007 -0.312 2.144) 3.706 4.724 ( 0.299 -0.684 -2.195) 2.319 4.803 ( -4.355 4.156 -2.760) 6.623 4.858 ( -0.704 -0.157 -0.143) 0.735 4.985 ( 0.017 2.539 1.364) 2.882 5.054 ( -0.793 -4.601 1.826) 5.013 5.082 ( -4.174 -0.351 8.184) 9.194 5.297 ( -0.651 -6.149 1.048) 6.272 5.400 ( 2.793 0.655 -4.058) 4.970 5.485 ( 3.393 2.646 -4.785) 6.435 5.589 ( -1.139 0.016 -0.218) 1.160 5.679 ( 0.614 -1.288 -1.000) 1.742 5.708 ( 1.384 3.309 -1.754) 3.993 5.797 ( 1.061 2.462 0.248) 2.692 5.866 ( -1.428 1.372 1.613) 2.554 5.920 ( -1.392 1.689 0.257) 2.204 5.956 ( -2.597 -0.976 6.107) 6.707 6.118 ( -2.044 3.972 0.803) 4.538 6.161 ( 2.046 -4.027 -1.700) 4.826 6.314 ( 3.557 -0.603 -4.597) 5.844 6.607 ( -1.217 0.001 -0.579) 1.347 6.609 ( -1.552 4.594 2.347) 5.387 6.656 ( -0.702 -1.297 -0.434) 1.537 6.744 ( 1.178 4.240 0.160) 4.404 6.899 ( -1.172 -1.033 0.346) 1.600 6.957 ( -0.753 -2.769 2.263) 3.655 7.100 ( -0.087 0.468 -0.142) 0.497 7.173 ( 1.220 -0.885 -0.230) 1.525 7.220 ( -1.016 -3.027 0.047) 3.193 7.430 ( 2.915 -0.625 -2.536) 3.914 8.037 ( 0.847 14.711 1.005) 14.770 8.072 ( 1.061 15.453 0.723) 15.506 8.291 ( -2.334 13.714 1.943) 14.046 8.428 ( 2.194 12.927 -4.420) 13.837 8.889 ( -1.440 8.987 3.219) 9.654 9.007 ( 1.859 7.528 -2.494) 8.145 9.180 ( -5.207 10.354 7.167) 13.627 9.512 ( 4.648 4.446 -7.604) 9.960 9.736 ( -2.168 2.213 2.007) 3.691 9.743 ( -1.624 4.956 3.772) 6.436 9.887 ( 2.604 2.945 -5.121) 6.456 9.960 ( 2.912 2.240 -3.941) 5.388 10.064 ( -1.729 4.162 3.788) 5.887 10.130 ( 0.658 2.271 -1.404) 2.749 10.256 ( -1.978 5.040 3.097) 6.237 10.354 ( 1.737 6.348 -0.416) 6.594 10.525 ( -0.754 -7.688 -1.670) 7.903 10.644 ( -0.827 -3.065 0.707) 3.252 11.031 ( -3.180 5.259 3.102) 6.884 11.192 ( 1.239 3.741 -2.556) 4.697 11.441 ( -0.031 -0.909 3.775) 3.883 11.657 ( 7.769 -3.617 -6.721) 10.891 11.819 ( -1.363 2.149 0.673) 2.633 11.909 ( -1.581 -2.604 2.075) 3.685 12.257 ( -1.383 -1.506 2.082) 2.918 12.263 ( -0.480 -0.899 -0.787) 1.288 12.293 ( -1.453 -3.233 3.359) 4.883 12.459 ( 3.557 -3.596 -3.905) 6.390 12.766 ( -1.954 1.115 2.216) 3.158 12.847 ( 0.842 3.956 -2.762) 4.898 13.222 ( -0.143 1.015 -1.183) 1.566 13.294 ( -1.205 -3.342 1.918) 4.037 13.382 ( -0.228 0.449 1.789) 1.858 13.679 ( 6.362 -4.453 -4.833) 9.147 13.913 ( -1.484 -2.974 4.272) 5.413 14.033 ( 1.299 -4.392 -0.067) 4.580 14.465 ( -2.616 1.327 2.766) 4.032 14.630 ( 3.270 1.346 -5.558) 6.587 14.983 ( -1.549 3.662 0.217) 3.982 15.028 ( -2.968 -0.115 0.611) 3.032 16.064 ( 0.516 13.207 -0.845) 13.244 16.155 ( 1.192 15.828 0.860) 15.897 16.388 ( -1.316 10.832 4.509) 11.807 16.573 ( 6.162 6.662 -7.438) 11.734 16.884 ( 0.519 -4.838 -0.778) 4.927 16.927 ( 0.617 -3.304 0.934) 3.489 17.410 ( -6.204 -3.555 10.148) 12.415 17.675 ( 4.980 -8.954 -7.529) 12.715 18.220 ( -7.657 15.889 3.338) 17.951 18.403 ( -4.363 12.915 -0.982) 13.668 18.642 ( 4.672 11.791 -3.291) 13.103 18.728 ( -1.545 0.839 -1.427) 2.264 19.374 ( 1.049 -1.592 3.030) 3.579 19.665 ( -6.335 -9.964 4.138) 12.511 19.809 ( 1.852 -10.156 -0.869) 10.360 19.882 ( -0.861 -12.405 -2.675) 12.719 21.346 ( 4.297 -4.439 2.524) 6.674 21.394 ( 7.282 -3.419 -1.353) 8.158 21.817 ( -3.215 1.484 0.869) 3.646 21.891 ( -0.675 1.468 -1.445) 2.167 22.588 ( -0.005 -5.115 0.666) 5.159 22.676 ( 1.686 -6.669 -0.514) 6.898 22.786 ( -2.042 -2.244 -3.288) 4.474 22.888 ( -2.330 -6.901 2.007) 7.555 ======================= Grid point 84 (42/70) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -1.885 15.751 0.734) 15.881 1.678 ( -1.205 15.883 -1.316) 15.983 1.748 ( 3.793 15.323 -6.307) 16.999 1.808 ( 1.605 11.639 -6.358) 13.359 2.080 ( -1.538 5.548 2.098) 6.128 2.110 ( 0.160 8.857 1.257) 8.948 2.288 ( 1.148 1.259 -1.038) 1.995 2.304 ( -4.721 4.487 7.098) 9.634 2.344 ( -2.334 4.191 -0.598) 4.834 2.397 ( 2.214 8.596 3.336) 9.483 2.448 ( -0.342 0.676 3.409) 3.492 2.551 ( 0.705 3.403 -0.227) 3.483 2.639 ( 1.260 1.471 0.513) 2.003 2.712 ( 2.312 0.330 -1.584) 2.822 2.778 ( -2.212 -3.582 3.728) 5.624 2.829 ( -0.426 0.668 1.002) 1.277 2.844 ( 0.660 1.823 -3.406) 3.919 2.954 ( 1.398 -5.428 -4.717) 7.326 3.051 ( -0.685 -4.891 0.781) 5.000 3.103 ( 1.217 -2.749 3.678) 4.751 3.257 ( -1.363 7.212 -5.982) 9.468 3.297 ( -1.201 -0.809 -3.938) 4.196 3.313 ( 2.309 3.233 -3.234) 5.122 3.328 ( -1.443 -2.207 -2.255) 3.470 3.367 ( 0.159 -8.728 -3.005) 9.232 3.447 ( 1.399 -3.750 -2.840) 4.907 3.541 ( 1.433 -3.850 0.468) 4.135 3.546 ( -1.004 1.674 3.217) 3.763 3.607 ( 0.082 -3.367 1.056) 3.529 3.635 ( -2.018 -1.170 1.596) 2.827 3.702 ( -1.813 0.058 -0.264) 1.834 3.744 ( 0.783 3.600 -3.163) 4.856 3.801 ( 2.167 7.623 4.083) 8.915 3.863 ( 1.360 -4.292 -0.217) 4.508 3.876 ( 1.302 -1.037 -0.039) 1.665 3.902 ( -2.203 0.353 1.832) 2.887 3.991 ( -2.433 0.257 6.021) 6.499 3.995 ( 0.460 -5.035 1.561) 5.292 4.081 ( 3.050 0.991 -0.777) 3.300 4.126 ( -2.261 3.640 1.131) 4.432 4.185 ( 1.384 -1.562 2.572) 3.312 4.216 ( -2.522 -4.928 1.101) 5.644 4.271 ( 1.710 0.383 -2.119) 2.749 4.354 ( 2.429 -1.011 -4.251) 4.999 4.400 ( -2.082 1.973 -0.478) 2.908 4.424 ( -1.330 -1.330 -2.004) 2.748 4.459 ( -0.147 0.272 -0.240) 0.391 4.488 ( 0.361 1.712 -0.176) 1.758 4.538 ( 2.562 -2.390 1.369) 3.762 4.618 ( -1.250 -3.133 -0.429) 3.400 4.683 ( -3.560 1.025 -1.997) 4.208 4.720 ( 1.541 -0.534 -2.463) 2.954 4.781 ( 3.325 1.889 1.831) 4.240 4.844 ( -0.351 0.564 -0.942) 1.153 5.004 ( -0.966 -0.124 2.782) 2.948 5.041 ( -1.918 -4.170 0.475) 4.614 5.120 ( -3.681 0.280 9.263) 9.972 5.301 ( -0.526 -6.608 1.291) 6.753 5.412 ( 3.366 1.366 -3.389) 4.968 5.482 ( 4.000 1.879 -6.944) 8.231 5.571 ( -1.505 -0.675 1.520) 2.243 5.672 ( 0.812 -0.051 -2.138) 2.287 5.732 ( 1.556 1.702 0.587) 2.380 5.786 ( -0.582 1.736 -1.960) 2.682 5.877 ( 0.163 1.081 2.782) 2.989 5.900 ( -2.049 1.476 1.310) 2.845 6.012 ( -1.192 1.577 8.020) 8.260 6.097 ( -1.217 3.691 0.194) 3.892 6.158 ( 0.873 -2.623 -2.619) 3.808 6.313 ( 3.194 -1.130 -5.727) 6.654 6.584 ( -1.410 2.136 0.241) 2.570 6.604 ( -0.279 -2.061 -0.730) 2.204 6.654 ( -0.136 2.497 2.466) 3.511 6.760 ( 0.844 3.989 -1.000) 4.198 6.881 ( -1.614 -1.072 0.962) 2.163 6.955 ( -1.249 -3.382 0.436) 3.632 7.102 ( 0.004 0.386 0.509) 0.640 7.168 ( 0.172 -2.397 -1.695) 2.941 7.247 ( 0.790 -1.440 3.624) 3.979 7.426 ( 1.201 -0.122 -4.156) 4.328 8.051 ( -1.045 13.144 1.188) 13.239 8.087 ( -0.105 16.829 0.487) 16.836 8.281 ( -1.395 13.562 1.899) 13.765 8.423 ( 3.210 13.513 -4.314) 14.544 8.899 ( -1.909 9.223 3.397) 10.012 9.006 ( 1.439 8.004 -2.450) 8.493 9.177 ( -4.791 9.660 7.046) 12.881 9.508 ( 5.117 4.707 -7.431) 10.176 9.722 ( -2.133 3.644 2.044) 4.691 9.763 ( -1.786 3.794 4.234) 5.959 9.873 ( 3.126 4.106 -5.274) 7.379 9.953 ( 1.962 3.225 -4.224) 5.665 10.069 ( -2.800 1.998 2.898) 4.498 10.143 ( 2.878 1.635 -1.285) 3.551 10.258 ( -2.603 4.130 4.087) 6.367 10.367 ( 0.710 4.726 -0.915) 4.866 10.529 ( 1.528 -5.904 0.700) 6.139 10.610 ( -1.816 -1.740 -2.271) 3.389 11.028 ( -1.947 5.515 3.786) 6.967 11.182 ( 1.490 3.929 -3.175) 5.267 11.466 ( -2.428 -1.266 3.971) 4.824 11.696 ( 6.051 -4.463 -7.393) 10.545 11.822 ( -0.609 2.307 2.462) 3.428 11.887 ( -2.681 -1.831 1.130) 3.438 12.245 ( -1.525 -0.010 0.758) 1.703 12.254 ( 0.027 -2.045 -0.305) 2.068 12.306 ( -1.878 -2.936 3.478) 4.924 12.471 ( 2.957 -3.511 -3.577) 5.820 12.757 ( -1.889 0.678 1.749) 2.662 12.841 ( 2.199 3.939 -2.354) 5.088 13.238 ( 1.546 0.290 1.246) 2.007 13.281 ( -1.716 -2.311 0.043) 2.879 13.411 ( -0.713 -0.411 4.384) 4.461 13.671 ( 1.886 -4.500 -7.727) 9.139 13.948 ( -1.793 -3.777 5.590) 6.980 14.051 ( 0.704 -4.400 0.164) 4.459 14.451 ( -2.360 1.341 2.287) 3.549 14.629 ( 4.493 2.008 -5.661) 7.501 14.956 ( -4.820 -0.371 0.864) 4.911 14.999 ( 2.545 5.148 -1.193) 5.865 16.083 ( 1.290 12.715 1.237) 12.840 16.148 ( -1.425 15.867 -1.544) 16.005 16.398 ( -3.251 10.526 3.831) 11.664 16.603 ( 6.036 7.093 -5.811) 10.978 16.899 ( 1.311 -4.281 0.666) 4.526 16.925 ( -1.176 -3.686 -0.471) 3.897 17.396 ( -7.969 -4.939 8.484) 12.644 17.701 ( 6.780 -9.288 -5.574) 12.779 18.157 ( -3.982 18.309 3.262) 19.019 18.328 ( 0.174 17.736 -4.482) 18.295 18.663 ( -1.345 3.975 -0.424) 4.217 18.740 ( 5.814 3.621 -0.870) 6.904 19.464 ( 0.661 -0.376 7.955) 7.992 19.617 ( -4.482 -12.645 5.165) 14.376 19.803 ( 0.888 -12.304 -6.114) 13.768 19.827 ( 0.603 -9.662 -3.880) 10.430 21.394 ( -2.178 -5.381 2.152) 6.191 21.466 ( 2.023 -4.845 -0.774) 5.307 21.789 ( -1.225 2.351 1.401) 2.998 21.874 ( 1.257 2.199 -1.906) 3.170 22.591 ( -0.523 -4.341 0.714) 4.431 22.668 ( -0.012 -6.337 -2.595) 6.847 22.795 ( 3.438 -3.312 1.441) 4.987 22.848 ( -2.797 -5.671 -1.036) 6.408 ======================= Grid point 85 (43/70) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -3.790 16.965 1.280) 17.431 1.643 ( -0.043 19.659 -1.231) 19.697 1.748 ( 5.655 16.239 -6.196) 18.278 1.831 ( 6.204 8.830 -2.274) 11.029 2.072 ( -1.988 4.910 2.324) 5.784 2.146 ( 1.977 6.369 1.043) 6.750 2.251 ( -3.078 2.301 -0.273) 3.853 2.290 ( -4.158 6.248 4.744) 8.878 2.381 ( 4.551 -0.232 -0.983) 4.661 2.461 ( 0.392 4.824 5.032) 6.983 2.502 ( 1.588 5.682 3.650) 6.937 2.570 ( 2.780 2.663 -3.146) 4.972 2.642 ( -0.745 3.332 0.631) 3.473 2.742 ( 2.822 -0.658 -2.826) 4.048 2.769 ( -1.349 -1.447 -0.542) 2.051 2.810 ( -2.659 2.229 0.278) 3.481 2.851 ( 2.257 -0.843 2.285) 3.321 2.930 ( 1.442 -5.821 -4.821) 7.695 3.031 ( -1.029 -4.107 -1.623) 4.534 3.146 ( -1.145 -0.580 2.861) 3.136 3.162 ( -1.329 8.082 -3.001) 8.723 3.235 ( -3.751 -1.033 -1.990) 4.370 3.264 ( -2.314 -4.253 0.245) 4.848 3.318 ( -1.089 -3.407 -0.517) 3.614 3.377 ( 3.821 4.023 -1.151) 5.666 3.420 ( 1.196 -2.246 -4.700) 5.344 3.508 ( -4.803 0.221 1.002) 4.911 3.556 ( -1.462 -2.396 1.004) 2.981 3.615 ( 0.979 -6.111 -0.671) 6.225 3.663 ( -0.304 -2.902 3.675) 4.692 3.689 ( -1.688 3.933 -0.584) 4.319 3.722 ( 1.061 -1.729 1.624) 2.599 3.771 ( -4.222 2.124 -0.769) 4.788 3.899 ( 2.896 -0.125 -1.413) 3.225 3.915 ( 2.246 -2.185 0.131) 3.136 3.945 ( 1.724 -0.741 0.432) 1.925 3.966 ( 0.593 -0.019 2.825) 2.887 4.061 ( 0.264 -4.437 -1.923) 4.843 4.088 ( 1.709 2.105 2.138) 3.453 4.140 ( -3.216 1.082 2.885) 4.454 4.166 ( -2.091 -0.604 -0.123) 2.180 4.236 ( -0.587 -2.037 4.280) 4.776 4.262 ( 0.990 -1.195 -3.544) 3.869 4.323 ( 1.143 -2.860 -5.932) 6.684 4.373 ( 0.634 -0.498 1.758) 1.934 4.451 ( 0.480 1.403 -0.252) 1.504 4.477 ( 4.711 -0.609 0.040) 4.750 4.489 ( 1.782 2.195 1.186) 3.066 4.542 ( -2.583 -0.767 -2.443) 3.637 4.633 ( 1.361 -0.374 1.172) 1.834 4.684 ( 4.655 -1.100 1.669) 5.066 4.722 ( 0.555 -1.360 -1.575) 2.153 4.822 ( 1.250 3.074 -2.414) 4.104 4.858 ( 3.344 0.593 0.001) 3.396 4.991 ( -2.501 -2.884 0.968) 3.938 5.027 ( -1.369 -2.876 1.442) 3.496 5.151 ( -5.489 1.316 9.283) 10.864 5.305 ( -0.743 -6.449 1.336) 6.628 5.427 ( 3.564 1.199 -4.098) 5.562 5.459 ( 3.621 1.958 -8.026) 9.020 5.576 ( -0.937 -0.132 2.716) 2.876 5.666 ( 1.695 0.679 -2.481) 3.080 5.718 ( -1.809 1.599 -0.768) 2.534 5.803 ( 2.672 1.235 -0.318) 2.960 5.863 ( -2.629 1.583 1.408) 3.376 5.934 ( 1.242 -0.572 2.788) 3.106 6.056 ( -2.439 3.082 2.491) 4.653 6.091 ( -0.813 3.099 4.067) 5.177 6.155 ( 1.332 -1.615 -0.898) 2.278 6.287 ( 3.142 -1.687 -7.985) 8.746 6.567 ( -1.081 1.455 0.798) 1.981 6.595 ( -0.690 -2.758 0.641) 2.915 6.695 ( 0.811 2.379 2.645) 3.649 6.748 ( 1.162 4.591 -3.126) 5.674 6.876 ( -1.777 -0.590 2.979) 3.519 6.934 ( -1.429 -3.211 0.094) 3.516 7.110 ( -0.144 -0.030 1.099) 1.109 7.153 ( 0.200 -2.387 -1.555) 2.856 7.297 ( 0.282 -1.591 3.031) 3.434 7.386 ( 0.427 0.350 -4.862) 4.893 8.027 ( -2.985 11.930 1.097) 12.347 8.082 ( -1.112 18.486 0.561) 18.528 8.289 ( -0.247 13.079 1.860) 13.213 8.435 ( 4.007 13.252 -4.293) 14.495 8.899 ( -3.054 8.195 3.771) 9.524 9.001 ( 1.690 8.992 -2.940) 9.610 9.180 ( -4.437 8.860 7.022) 12.145 9.514 ( 5.778 5.036 -7.595) 10.791 9.715 ( -1.855 4.495 2.631) 5.529 9.772 ( -2.463 2.879 3.686) 5.286 9.876 ( 3.603 4.595 -4.356) 7.285 9.934 ( 1.659 2.825 -4.325) 5.425 10.046 ( -2.912 2.356 2.155) 4.322 10.178 ( 2.575 3.277 -1.404) 4.398 10.269 ( -1.688 2.342 4.467) 5.319 10.372 ( 1.595 2.976 -0.986) 3.518 10.514 ( -3.545 -0.370 -1.989) 4.082 10.600 ( 2.317 -5.786 0.984) 6.309 11.045 ( -1.342 5.279 3.568) 6.511 11.178 ( 2.345 3.950 -2.904) 5.435 11.446 ( -5.076 -0.582 3.592) 6.246 11.682 ( 2.803 -4.437 -7.918) 9.500 11.827 ( -1.878 0.391 2.183) 2.906 11.881 ( 0.027 0.277 1.745) 1.767 12.228 ( -2.171 -0.141 1.694) 2.757 12.257 ( 0.120 -2.622 0.572) 2.686 12.312 ( -0.891 -2.800 2.048) 3.582 12.473 ( 2.076 -3.796 -3.509) 5.571 12.748 ( -1.198 0.862 1.417) 2.047 12.867 ( 3.735 3.836 -1.888) 5.678 13.240 ( -2.044 -0.283 -1.591) 2.605 13.280 ( 1.006 -1.279 1.675) 2.335 13.426 ( -4.111 -3.229 4.064) 6.622 13.615 ( 2.008 -3.042 -5.789) 6.841 13.965 ( -3.029 -4.690 4.289) 7.041 14.059 ( 0.547 -3.500 -0.642) 3.600 14.444 ( -1.532 1.105 2.480) 3.118 14.645 ( 5.206 2.146 -6.426) 8.544 14.880 ( -4.941 2.277 1.717) 5.705 15.059 ( 4.469 3.769 0.114) 5.847 16.089 ( -2.664 16.152 -1.901) 16.480 16.124 ( 1.097 11.857 1.918) 12.061 16.369 ( -4.779 9.206 3.047) 10.811 16.627 ( 4.791 8.263 -6.250) 11.415 16.888 ( -1.893 -4.572 -0.874) 5.025 16.933 ( 1.255 -2.978 0.924) 3.362 17.350 ( -8.456 -7.082 8.094) 13.681 17.760 ( 7.471 -7.773 -5.621) 12.158 18.168 ( -0.243 20.080 4.745) 20.635 18.319 ( 3.627 15.500 -2.990) 16.197 18.613 ( -3.371 0.827 -0.831) 3.570 18.853 ( 9.442 2.233 -3.092) 10.184 19.511 ( -4.267 -0.776 6.308) 7.654 19.654 ( -0.797 -13.182 1.362) 13.276 19.703 ( -1.783 -14.124 -0.672) 14.252 19.873 ( 8.537 -2.288 -3.032) 9.344 21.334 ( -6.786 -3.932 1.606) 8.005 21.430 ( -5.317 -4.406 -0.377) 6.916 21.811 ( 1.638 1.411 1.041) 2.399 21.888 ( 2.646 1.737 -1.651) 3.570 22.598 ( -0.354 -4.518 1.472) 4.765 22.639 ( 0.076 -5.769 -1.739) 6.026 22.775 ( -2.783 -3.150 -2.382) 4.832 22.892 ( 4.775 -6.299 1.489) 8.043 ======================= Grid point 86 (44/70) ======================= q-point: (-0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -3.518 18.506 4.194) 19.299 1.658 ( 2.857 19.357 -1.151) 19.600 1.788 ( 5.395 17.865 -4.197) 19.128 1.929 ( 5.858 8.429 0.926) 10.306 2.073 ( -0.571 3.854 1.481) 4.168 2.176 ( -2.169 2.536 -2.350) 4.081 2.188 ( -0.927 4.666 1.054) 4.873 2.285 ( -3.298 5.461 5.026) 8.122 2.424 ( 3.171 1.339 -1.699) 3.839 2.520 ( 3.482 -0.220 -4.875) 5.995 2.531 ( -2.420 4.859 3.104) 6.253 2.587 ( 0.054 6.393 2.166) 6.750 2.662 ( 0.934 4.529 4.187) 6.238 2.718 ( 0.890 1.749 -4.331) 4.755 2.752 ( 1.823 -0.670 -2.036) 2.813 2.778 ( -0.932 2.490 -1.040) 2.855 2.889 ( -0.267 -5.372 -3.169) 6.243 2.935 ( 2.776 -5.051 2.413) 6.248 3.005 ( 0.888 -1.834 -1.743) 2.682 3.120 ( -4.145 6.735 1.440) 8.039 3.136 ( -1.156 3.128 0.023) 3.335 3.174 ( -2.029 -2.318 0.107) 3.082 3.265 ( -0.473 -0.419 4.971) 5.011 3.288 ( -3.128 -2.146 1.940) 4.261 3.363 ( -1.150 -3.560 -2.161) 4.321 3.429 ( -0.933 0.666 0.653) 1.320 3.468 ( 1.200 0.710 -0.529) 1.492 3.527 ( -3.739 -0.803 1.666) 4.172 3.591 ( -0.519 -4.273 -3.220) 5.375 3.644 ( -0.873 -2.152 0.261) 2.337 3.717 ( 0.586 -1.993 0.902) 2.264 3.742 ( -1.223 1.859 3.407) 4.070 3.775 ( 3.364 -1.196 0.588) 3.618 3.867 ( -0.203 -0.448 -3.425) 3.460 3.946 ( 2.206 1.952 -3.657) 4.696 3.977 ( 0.445 -2.089 0.571) 2.210 4.020 ( 1.753 0.806 -2.965) 3.537 4.052 ( 0.426 -0.210 1.602) 1.671 4.076 ( 0.764 -2.829 -0.170) 2.935 4.142 ( -1.749 0.607 0.607) 1.948 4.150 ( -0.533 -2.241 2.229) 3.205 4.234 ( -0.448 -1.730 -2.409) 2.999 4.256 ( -1.274 -1.156 1.368) 2.198 4.302 ( 2.444 -2.332 -1.366) 3.644 4.415 ( 0.137 -0.110 1.389) 1.400 4.443 ( 0.473 -3.586 -1.657) 3.979 4.495 ( 0.228 2.137 0.154) 2.154 4.538 ( 2.019 1.653 0.227) 2.619 4.580 ( 3.506 -3.472 2.469) 5.517 4.658 ( 1.442 -1.266 -0.996) 2.162 4.709 ( 0.089 -1.275 -0.743) 1.479 4.753 ( -0.174 -0.886 0.999) 1.346 4.833 ( 3.988 4.557 -1.645) 6.275 4.900 ( 2.676 0.474 -1.141) 2.948 4.973 ( -0.531 -1.384 0.043) 1.483 5.012 ( -2.375 -3.755 1.493) 4.687 5.147 ( -6.595 1.252 8.095) 10.516 5.308 ( -0.831 -6.196 1.435) 6.414 5.423 ( 3.985 0.368 -8.054) 8.994 5.446 ( 3.131 4.169 -3.232) 6.134 5.596 ( -0.546 1.067 2.947) 3.182 5.664 ( 1.368 1.112 -2.825) 3.329 5.692 ( -0.115 0.789 -0.913) 1.212 5.807 ( -0.903 2.265 -0.294) 2.456 5.874 ( 0.549 0.211 1.953) 2.039 5.958 ( 0.096 0.358 -0.777) 0.861 6.034 ( -2.576 0.119 2.292) 3.450 6.126 ( -1.044 3.636 3.544) 5.184 6.162 ( 0.804 -2.020 -1.453) 2.615 6.259 ( 4.281 -1.371 -6.882) 8.220 6.572 ( -0.464 1.637 2.307) 2.867 6.596 ( -1.293 -2.347 2.469) 3.644 6.709 ( 0.651 2.682 -1.814) 3.303 6.751 ( 1.360 4.196 -1.004) 4.523 6.883 ( -1.243 -1.031 2.788) 3.222 6.917 ( -1.991 -1.905 2.011) 3.412 7.118 ( -0.303 -0.218 0.744) 0.833 7.143 ( 0.335 -2.271 -0.892) 2.463 7.316 ( 0.731 -0.836 -0.668) 1.296 7.347 ( -0.059 -0.610 -2.450) 2.525 7.992 ( -2.575 11.917 1.439) 12.277 8.065 ( -1.316 19.030 0.129) 19.075 8.307 ( -0.322 12.773 1.876) 12.914 8.451 ( 3.732 12.433 -4.494) 13.737 8.886 ( -3.639 7.154 3.972) 8.956 8.998 ( 2.253 9.331 -3.442) 10.197 9.186 ( -4.516 8.748 7.117) 12.148 9.525 ( 6.011 5.075 -7.941) 11.177 9.720 ( -1.453 4.845 3.034) 5.898 9.768 ( -2.764 2.390 3.519) 5.073 9.888 ( 3.343 3.552 -3.882) 6.234 9.914 ( 1.668 2.358 -3.917) 4.867 10.031 ( -1.993 3.729 2.626) 4.977 10.189 ( 0.256 4.856 -0.509) 4.890 10.293 ( 0.400 4.336 0.677) 4.407 10.381 ( 0.352 1.696 -3.929) 4.294 10.453 ( -1.422 -1.021 3.367) 3.795 10.645 ( 0.854 -7.829 1.396) 7.998 11.059 ( -1.357 5.230 3.014) 6.187 11.193 ( 2.837 3.458 -2.414) 5.082 11.394 ( -5.467 0.556 3.496) 6.514 11.629 ( 2.060 -3.224 -7.588) 8.498 11.831 ( -0.200 -0.843 1.625) 1.842 11.895 ( -0.961 0.629 1.460) 1.858 12.214 ( -2.877 -0.640 3.341) 4.455 12.267 ( -0.191 -3.270 1.175) 3.480 12.322 ( 0.130 -3.072 0.405) 3.101 12.461 ( 1.651 -4.179 -3.944) 5.978 12.751 ( -0.540 1.228 1.659) 2.134 12.911 ( 4.115 2.962 -2.853) 5.818 13.193 ( -1.342 2.091 -0.313) 2.504 13.296 ( -1.388 -1.248 2.068) 2.786 13.389 ( -2.960 -4.682 1.120) 5.651 13.604 ( 1.648 -3.299 -3.171) 4.864 13.943 ( -2.736 -4.177 0.572) 5.026 14.057 ( 0.280 -3.044 -0.871) 3.179 14.456 ( -1.049 0.268 2.897) 3.092 14.647 ( 4.144 2.557 -6.715) 8.295 14.860 ( -2.541 3.567 6.216) 7.604 15.122 ( 2.804 2.296 -0.389) 3.645 16.037 ( -1.555 16.664 -0.359) 16.740 16.151 ( 0.073 12.003 0.523) 12.015 16.324 ( -4.264 7.543 3.166) 9.225 16.619 ( 3.992 9.123 -7.740) 12.612 16.858 ( -0.966 -4.871 0.080) 4.967 16.948 ( 0.249 -2.379 -0.731) 2.501 17.318 ( -7.085 -7.856 9.600) 14.286 17.797 ( 6.243 -6.165 -8.786) 12.417 18.248 ( -0.088 19.478 9.424) 21.638 18.376 ( 5.552 10.898 -0.528) 12.242 18.541 ( -4.053 1.439 -0.891) 4.392 18.944 ( 7.880 -0.622 -7.685) 11.024 19.486 ( 0.081 -3.813 -2.458) 4.538 19.602 ( -3.958 -6.498 2.530) 8.018 19.736 ( -1.944 -13.739 5.196) 14.817 20.010 ( 9.390 -2.408 -2.851) 10.105 21.235 ( -6.384 -2.203 1.061) 6.836 21.314 ( -6.482 -2.693 -0.886) 7.075 21.846 ( 1.236 0.562 0.700) 1.528 21.916 ( 2.114 0.672 -0.962) 2.418 22.596 ( -0.450 -5.969 0.090) 5.987 22.646 ( 0.270 -5.516 0.532) 5.548 22.725 ( -0.699 -0.124 0.754) 1.036 22.966 ( 2.758 -8.442 -0.139) 8.883 ======================= Grid point 87 (45/70) ======================= q-point: ( 0.00 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -1.666 9.724 4.165) 10.709 1.944 ( 3.728 5.882 -2.442) 7.380 2.058 ( 1.179 -1.153 0.951) 1.904 2.156 ( -0.882 11.509 1.796) 11.681 2.188 ( -2.278 5.909 -5.352) 8.291 2.246 ( 2.458 10.066 2.365) 10.628 2.291 ( -5.377 4.839 1.468) 7.381 2.378 ( -1.418 1.254 3.870) 4.308 2.467 ( 1.866 -0.770 -0.880) 2.202 2.505 ( 2.121 -1.504 -2.129) 3.360 2.575 ( -1.875 -2.411 -1.431) 3.372 2.579 ( 1.451 -1.517 -1.248) 2.442 2.660 ( -1.127 -1.603 0.928) 2.168 2.711 ( -0.867 -0.830 2.745) 2.996 2.738 ( 0.279 -1.141 -0.846) 1.448 2.783 ( 1.101 -0.575 -1.164) 1.702 2.806 ( 1.546 -2.992 -0.395) 3.391 2.891 ( 2.707 -0.230 -2.972) 4.027 2.971 ( -0.250 -2.539 0.219) 2.561 3.046 ( -1.395 -3.185 2.584) 4.333 3.079 ( -0.292 -1.912 -3.311) 3.834 3.216 ( -0.148 -5.683 -3.640) 6.750 3.301 ( -1.517 4.536 3.718) 6.058 3.309 ( -0.268 0.409 5.052) 5.075 3.391 ( -1.949 -0.279 0.506) 2.033 3.408 ( 1.710 -4.017 -1.703) 4.686 3.482 ( 0.680 3.626 4.555) 5.861 3.517 ( -0.135 1.291 3.072) 3.335 3.588 ( 3.516 10.109 0.838) 10.736 3.666 ( -1.633 5.236 0.943) 5.565 3.729 ( 0.555 1.323 -0.054) 1.435 3.766 ( 0.336 -2.934 0.454) 2.988 3.814 ( 2.532 1.563 -1.336) 3.262 3.837 ( 0.300 -5.549 -0.204) 5.561 3.887 ( -1.148 -1.994 0.034) 2.301 3.921 ( -2.513 -1.570 -1.732) 3.432 3.971 ( -2.230 -2.960 -1.100) 3.865 4.025 ( -1.439 -5.989 -1.552) 6.351 4.043 ( -1.922 -1.347 -2.463) 3.402 4.085 ( 0.352 2.348 -0.659) 2.464 4.139 ( 1.089 0.578 -1.834) 2.210 4.192 ( 2.014 1.596 -2.013) 3.265 4.272 ( 0.690 -0.759 -0.156) 1.038 4.316 ( -0.420 -3.635 -0.495) 3.693 4.341 ( 0.407 0.630 4.341) 4.406 4.443 ( 2.726 -0.648 2.975) 4.087 4.532 ( 0.417 -0.372 1.633) 1.726 4.559 ( 1.709 0.428 -4.037) 4.405 4.594 ( -1.605 1.358 -2.800) 3.502 4.634 ( 1.419 -1.416 -3.090) 3.684 4.700 ( -2.386 -0.538 0.012) 2.446 4.707 ( 1.136 -0.278 -0.386) 1.232 4.896 ( -3.192 -0.571 2.370) 4.017 4.903 ( -1.551 -1.041 6.024) 6.307 4.994 ( 0.745 2.442 -0.533) 2.609 5.007 ( 1.810 1.583 -0.961) 2.590 5.133 ( -2.983 -0.308 2.251) 3.749 5.202 ( -4.039 -2.994 4.474) 6.730 5.413 ( 3.081 0.005 -6.076) 6.813 5.532 ( 3.100 1.690 -3.662) 5.087 5.632 ( 0.728 -0.074 2.467) 2.573 5.664 ( 0.850 0.220 -3.012) 3.137 5.760 ( 1.211 2.651 2.291) 3.707 5.833 ( -0.658 2.046 -0.592) 2.230 5.905 ( -0.104 -0.067 0.217) 0.250 5.917 ( -2.584 -0.774 0.483) 2.740 6.008 ( -0.021 0.509 -2.558) 2.608 6.054 ( 1.246 -3.349 -5.255) 6.355 6.210 ( -1.838 2.135 2.466) 3.744 6.266 ( 2.480 -0.498 -1.295) 2.842 6.563 ( -1.146 -1.281 5.927) 6.171 6.647 ( 0.190 1.172 1.946) 2.280 6.721 ( -1.958 1.003 -1.352) 2.582 6.815 ( 2.032 1.609 -3.319) 4.211 6.874 ( -0.187 -0.661 2.627) 2.715 6.887 ( -0.768 -1.051 1.425) 1.930 7.115 ( -0.184 -0.039 0.169) 0.253 7.119 ( 0.518 -0.499 0.266) 0.767 7.265 ( -2.925 -1.254 0.284) 3.195 7.351 ( 3.385 0.469 -3.057) 4.585 8.161 ( -1.446 4.382 3.692) 5.909 8.349 ( 1.973 8.556 -5.084) 10.146 8.529 ( -1.551 7.180 2.775) 7.853 8.622 ( 1.052 3.244 -2.110) 4.010 8.959 ( -2.591 1.365 5.023) 5.814 9.158 ( 1.877 5.519 -4.178) 7.172 9.367 ( -1.617 6.555 3.134) 7.443 9.553 ( 2.691 -1.444 -5.234) 6.060 9.788 ( -1.566 1.671 3.217) 3.949 9.848 ( -0.856 4.848 1.019) 5.028 9.898 ( 1.460 -2.345 -1.134) 2.985 9.916 ( 1.287 -0.804 -1.849) 2.392 10.114 ( -0.452 2.078 1.876) 2.836 10.220 ( 0.457 -0.388 -3.682) 3.731 10.346 ( -1.652 2.298 2.340) 3.673 10.405 ( 1.874 -0.095 -1.654) 2.501 10.471 ( -0.269 -0.007 1.989) 2.008 10.500 ( -1.122 -4.087 1.251) 4.419 11.142 ( -1.916 2.039 2.076) 3.484 11.250 ( 1.956 1.404 -2.696) 3.615 11.384 ( -1.580 0.433 2.231) 2.768 11.555 ( 3.775 -1.137 -6.417) 7.531 11.835 ( -0.695 -0.481 3.242) 3.350 11.900 ( -0.888 0.626 -0.603) 1.242 12.203 ( -2.373 -0.230 4.347) 4.957 12.222 ( -0.908 -1.399 1.498) 2.242 12.284 ( 0.443 -0.663 -1.172) 1.417 12.388 ( 2.018 -1.454 -3.602) 4.377 12.788 ( -1.643 0.810 3.369) 3.835 12.966 ( 2.691 1.571 -5.019) 5.907 13.220 ( -0.191 -0.478 1.905) 1.974 13.270 ( -0.079 -1.905 -0.755) 2.051 13.317 ( -2.865 0.466 5.085) 5.855 13.546 ( 3.438 -1.074 -4.733) 5.948 13.861 ( -2.208 -1.234 1.725) 3.062 13.990 ( 1.027 -1.505 -3.523) 3.967 14.472 ( -1.765 0.124 3.857) 4.243 14.665 ( 3.414 0.314 -6.179) 7.066 14.928 ( -2.426 -0.367 7.554) 7.942 15.131 ( 1.009 -0.696 -3.045) 3.282 16.393 ( 1.303 16.186 0.446) 16.244 16.422 ( -2.087 13.853 -1.052) 14.048 16.499 ( -0.400 8.028 4.273) 9.103 16.673 ( 1.233 -6.905 -2.550) 7.463 16.725 ( 0.544 -8.328 0.901) 8.394 16.833 ( 0.649 -1.681 -6.514) 6.758 17.195 ( -3.920 -5.275 12.053) 13.729 17.656 ( 3.557 -3.537 -10.869) 11.971 18.443 ( -1.693 -1.429 3.823) 4.419 18.657 ( 1.510 8.126 -2.721) 8.702 18.680 ( -3.492 9.651 6.670) 12.240 18.989 ( 4.947 4.708 -4.466) 8.160 19.325 ( 2.102 -9.342 1.404) 9.678 19.418 ( -4.229 -7.402 -2.987) 9.034 19.622 ( -2.444 -1.496 8.584) 9.050 20.011 ( 2.577 -0.697 -8.346) 8.762 21.164 ( -0.889 -0.585 1.204) 1.607 21.214 ( 0.080 -0.737 -0.994) 1.240 21.875 ( -0.623 0.395 1.418) 1.598 21.941 ( 1.069 0.715 -1.480) 1.960 22.502 ( 0.619 -2.741 0.700) 2.896 22.542 ( -0.880 -2.475 -1.122) 2.856 22.768 ( 0.220 0.606 2.453) 2.536 22.838 ( -0.009 -4.182 -0.719) 4.243 ======================= Grid point 88 (46/70) ======================= q-point: ( 0.17 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -2.124 7.467 2.017) 8.021 1.974 ( 2.701 5.372 -2.231) 6.414 2.064 ( -3.402 5.467 -1.947) 6.727 2.143 ( 0.569 8.402 3.082) 8.967 2.148 ( 1.149 7.762 0.481) 7.861 2.209 ( -4.718 1.642 0.081) 4.996 2.304 ( 1.093 8.450 1.649) 8.678 2.381 ( -1.568 2.541 1.670) 3.421 2.460 ( -2.049 -3.718 1.607) 4.539 2.514 ( -1.456 1.907 0.371) 2.427 2.566 ( 3.654 0.942 -4.719) 6.042 2.587 ( -0.183 -2.159 0.047) 2.168 2.638 ( -2.876 -1.074 1.389) 3.369 2.705 ( -1.389 1.505 -2.306) 3.084 2.715 ( -0.434 0.484 0.943) 1.145 2.783 ( 1.246 -1.533 -0.782) 2.124 2.823 ( 0.773 -5.832 -1.316) 6.029 2.908 ( 2.614 -0.006 -1.065) 2.823 2.977 ( -0.749 -1.327 0.881) 1.760 3.013 ( -0.500 -2.035 -3.016) 3.673 3.096 ( 0.372 -7.158 4.576) 8.504 3.189 ( 2.036 -6.656 -4.690) 8.393 3.303 ( -1.622 -0.111 2.237) 2.765 3.341 ( -1.149 0.367 -0.987) 1.559 3.408 ( 2.556 2.127 6.809) 7.578 3.436 ( 1.610 -2.689 -1.249) 3.374 3.533 ( 3.949 6.329 0.152) 7.461 3.574 ( 0.774 0.882 2.561) 2.817 3.623 ( -2.990 3.383 -1.710) 4.828 3.652 ( 0.269 8.875 0.805) 8.915 3.733 ( -1.740 0.920 0.468) 2.023 3.760 ( -1.225 0.476 0.298) 1.348 3.790 ( -0.700 -3.075 -0.740) 3.240 3.819 ( -2.169 -1.239 0.263) 2.512 3.864 ( 0.685 -2.201 -2.533) 3.425 3.909 ( 0.138 -2.763 0.596) 2.829 3.937 ( -0.873 -1.181 0.255) 1.490 3.968 ( -0.394 -7.200 -0.497) 7.228 4.037 ( -1.460 1.109 -0.686) 1.957 4.057 ( 1.172 -1.351 0.389) 1.830 4.162 ( 2.395 2.260 -0.328) 3.309 4.214 ( -0.060 2.056 0.851) 2.226 4.278 ( 3.192 -2.949 -3.024) 5.295 4.330 ( 1.739 -1.192 0.197) 2.118 4.403 ( 0.634 0.931 4.115) 4.267 4.475 ( 0.806 -0.949 -2.223) 2.549 4.509 ( -2.785 0.747 -4.108) 5.019 4.537 ( -2.427 0.607 1.413) 2.874 4.572 ( -1.982 -0.630 -1.926) 2.834 4.595 ( 3.161 -1.837 -0.627) 3.709 4.668 ( -1.834 -0.078 -0.714) 1.970 4.721 ( 0.861 0.084 -0.003) 0.865 4.873 ( -2.016 0.510 1.443) 2.531 4.931 ( -3.704 -0.662 5.053) 6.300 4.974 ( -0.776 0.899 -0.522) 1.297 5.027 ( 0.930 1.306 -1.001) 1.890 5.109 ( -3.687 1.096 3.596) 5.265 5.192 ( -3.923 -3.659 5.301) 7.542 5.398 ( 2.973 -0.518 -5.113) 5.938 5.532 ( 2.213 1.378 -3.883) 4.676 5.627 ( -0.924 0.898 -1.878) 2.278 5.656 ( -0.629 -1.404 -0.617) 1.657 5.804 ( -0.246 2.869 -2.390) 3.742 5.820 ( 2.197 3.056 2.508) 4.523 5.873 ( -2.449 -1.557 1.482) 3.258 5.920 ( -0.115 0.849 1.387) 1.631 5.988 ( 0.710 0.991 -2.269) 2.576 6.040 ( 2.233 -4.455 -2.613) 5.627 6.199 ( -2.022 1.893 1.505) 3.153 6.291 ( 2.078 -0.435 -1.042) 2.365 6.605 ( -1.402 -0.890 4.580) 4.872 6.662 ( -0.015 0.437 -2.122) 2.167 6.674 ( -2.737 1.443 2.767) 4.152 6.807 ( 1.418 1.675 -2.987) 3.706 6.892 ( -0.398 -0.445 0.919) 1.095 6.898 ( -0.055 -1.057 1.777) 2.069 7.112 ( -0.098 0.245 -0.102) 0.283 7.137 ( 1.077 -0.495 0.337) 1.232 7.211 ( -3.266 -1.343 -0.061) 3.532 7.389 ( 4.223 0.092 -2.178) 4.752 8.194 ( -0.170 4.515 4.067) 6.079 8.331 ( 3.126 8.125 -5.177) 10.129 8.529 ( -2.232 7.425 2.805) 8.245 8.612 ( 0.695 3.136 -2.064) 3.818 8.982 ( -1.715 1.952 5.087) 5.712 9.143 ( 2.164 5.216 -4.172) 7.021 9.380 ( -1.294 6.907 3.315) 7.770 9.541 ( 3.034 -1.567 -5.120) 6.154 9.790 ( -2.175 2.931 2.584) 4.472 9.844 ( -1.020 4.880 1.037) 5.092 9.900 ( 1.006 -3.159 -2.113) 3.931 9.921 ( 1.307 -1.979 -1.039) 2.589 10.133 ( -0.388 2.048 2.372) 3.158 10.183 ( -0.010 0.232 -3.139) 3.148 10.339 ( -1.815 2.739 1.942) 3.817 10.411 ( 0.951 -1.470 -1.847) 2.545 10.449 ( -2.217 -0.703 0.880) 2.487 10.544 ( 2.238 -2.426 1.610) 3.672 11.127 ( -2.429 1.922 2.008) 3.692 11.254 ( 1.837 1.839 -2.199) 3.404 11.397 ( 0.022 0.051 2.102) 2.103 11.562 ( 5.436 -1.428 -5.971) 8.200 11.861 ( -0.994 -0.639 3.376) 3.577 11.874 ( -0.956 0.737 -0.823) 1.461 12.220 ( -1.095 -1.195 1.527) 2.227 12.226 ( -1.217 -0.485 4.491) 4.678 12.275 ( 0.153 -0.471 -1.317) 1.407 12.391 ( 3.263 -1.365 -3.687) 5.109 12.793 ( -2.533 0.719 3.618) 4.475 12.942 ( 1.431 1.972 -4.929) 5.498 13.232 ( -1.052 -1.385 2.124) 2.745 13.251 ( -0.730 -0.832 -1.081) 1.547 13.356 ( 0.314 0.210 4.330) 4.346 13.562 ( 5.416 -1.160 -5.448) 7.769 13.854 ( -2.138 -1.394 3.408) 4.258 13.972 ( 1.575 -1.268 -3.075) 3.681 14.482 ( -2.399 0.171 3.846) 4.537 14.651 ( 3.305 0.128 -6.020) 6.868 14.964 ( -3.279 -1.152 6.899) 7.725 15.098 ( -0.067 -0.012 -3.801) 3.801 16.384 ( -1.090 15.116 -0.818) 15.177 16.440 ( 2.902 15.361 1.255) 15.683 16.548 ( 0.516 6.303 3.976) 7.470 16.662 ( 1.387 -4.478 -3.452) 5.822 16.752 ( 1.243 -8.873 0.582) 8.979 16.788 ( 1.945 -1.992 -4.321) 5.141 17.264 ( -4.547 -4.993 11.821) 13.614 17.579 ( 2.844 -3.988 -11.281) 12.298 18.464 ( -1.304 0.928 4.161) 4.459 18.653 ( 4.107 3.710 -5.278) 7.648 18.676 ( -7.096 9.615 7.292) 13.999 18.995 ( 2.108 8.833 -5.527) 10.631 19.314 ( -2.858 -5.367 -1.974) 6.394 19.411 ( 4.066 -11.954 2.499) 12.872 19.636 ( -8.037 -1.719 9.100) 12.263 19.897 ( -3.432 -1.268 -8.646) 9.388 21.202 ( 3.129 -1.020 1.718) 3.713 21.254 ( 5.588 -0.911 -1.230) 5.794 21.870 ( -1.936 0.505 1.362) 2.420 21.936 ( 0.442 0.869 -1.693) 1.953 22.513 ( -0.406 -2.026 -0.783) 2.210 22.537 ( 1.616 -3.104 0.933) 3.621 22.787 ( -1.273 -1.727 1.727) 2.755 22.814 ( -1.283 -2.043 -1.167) 2.680 ======================= Grid point 89 (47/70) ======================= q-point: ( 0.33 0.44 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -1.504 6.463 0.089) 6.636 1.981 ( 1.413 4.619 -2.655) 5.512 1.998 ( -1.869 6.617 -1.198) 6.980 2.109 ( -2.474 10.455 -1.573) 10.858 2.156 ( -1.630 5.387 2.141) 6.022 2.257 ( 3.908 3.684 1.208) 5.505 2.330 ( 1.228 8.088 -0.943) 8.235 2.376 ( -0.558 0.228 1.353) 1.481 2.450 ( -5.230 -1.910 1.107) 5.677 2.463 ( 0.591 1.526 -0.829) 1.834 2.523 ( -4.377 1.359 0.903) 4.672 2.592 ( -0.306 -0.390 1.635) 1.709 2.623 ( -0.430 1.565 1.937) 2.527 2.667 ( 0.949 -2.425 -2.836) 3.850 2.730 ( 0.905 -0.020 -0.463) 1.017 2.804 ( -0.387 -5.158 -2.066) 5.569 2.827 ( 1.638 2.431 2.854) 4.091 2.945 ( 3.023 -3.515 -1.948) 5.029 2.963 ( 0.032 -0.291 -0.905) 0.951 2.990 ( -0.940 -1.817 0.918) 2.243 3.144 ( -0.373 -7.121 2.735) 7.637 3.175 ( 2.754 -6.533 -4.047) 8.164 3.305 ( -0.844 -2.148 2.104) 3.123 3.328 ( -0.360 -1.698 -0.404) 1.782 3.444 ( 1.602 4.746 -0.358) 5.022 3.511 ( 3.633 -0.459 1.025) 3.803 3.524 ( -2.005 2.759 -4.899) 5.969 3.577 ( 0.524 2.480 -2.641) 3.661 3.604 ( -4.670 4.042 -0.532) 6.199 3.628 ( -2.099 -0.234 2.944) 3.623 3.664 ( 0.947 0.431 0.338) 1.094 3.757 ( -2.088 -3.191 -0.469) 3.842 3.783 ( 0.165 -4.771 -0.711) 4.826 3.823 ( 2.216 0.843 -0.965) 2.560 3.857 ( -1.058 1.281 0.152) 1.668 3.878 ( -3.142 -3.440 2.050) 5.090 3.931 ( 0.780 -2.661 -1.348) 3.083 4.010 ( 0.075 3.738 1.493) 4.026 4.031 ( 2.442 -3.873 3.050) 5.501 4.111 ( 1.769 -0.165 2.390) 2.978 4.191 ( 0.401 2.147 0.873) 2.352 4.211 ( -1.528 2.251 1.882) 3.308 4.301 ( 3.881 -1.033 -4.146) 5.772 4.371 ( 2.098 0.555 0.913) 2.354 4.410 ( -1.120 -0.008 -3.616) 3.785 4.443 ( 1.188 -0.220 -2.312) 2.609 4.470 ( -1.061 -1.968 -0.180) 2.243 4.507 ( -0.959 0.526 -1.259) 1.668 4.510 ( -1.300 1.053 0.072) 1.674 4.622 ( -2.598 0.555 0.711) 2.750 4.655 ( 2.906 -1.587 -0.501) 3.349 4.737 ( 1.062 0.333 -0.000) 1.113 4.855 ( -1.997 1.592 -0.326) 2.575 4.882 ( -2.630 0.748 -1.407) 3.075 4.972 ( -3.048 -1.271 4.621) 5.680 5.019 ( -0.742 0.636 -0.202) 0.998 5.105 ( -3.056 0.873 5.884) 6.687 5.186 ( -5.146 -3.850 6.949) 9.465 5.404 ( 5.167 -0.154 -5.787) 7.759 5.520 ( 1.455 0.693 -3.754) 4.085 5.586 ( -2.171 0.355 -0.892) 2.374 5.630 ( 0.798 -2.163 -2.133) 3.141 5.782 ( 0.782 2.387 -1.743) 3.057 5.851 ( -0.693 0.449 1.122) 1.393 5.891 ( 0.789 3.454 0.627) 3.598 5.935 ( -0.270 0.419 2.724) 2.769 5.981 ( -0.206 1.502 1.327) 2.015 6.057 ( 1.941 -5.183 -0.824) 5.595 6.182 ( -1.260 1.806 0.289) 2.221 6.307 ( 1.380 -0.223 -1.376) 1.961 6.605 ( -1.691 0.056 0.217) 1.706 6.623 ( -0.666 -0.680 -1.971) 2.188 6.683 ( -1.700 1.637 3.751) 4.431 6.805 ( 1.233 1.388 -0.944) 2.083 6.887 ( -0.492 0.048 -0.544) 0.735 6.908 ( -0.104 -1.674 -0.071) 1.678 7.110 ( 0.117 0.518 -0.305) 0.612 7.140 ( 0.126 -1.643 -1.956) 2.558 7.191 ( -1.420 -0.278 4.362) 4.595 7.425 ( 3.148 -0.019 -2.578) 4.069 8.231 ( -0.756 4.686 3.386) 5.831 8.338 ( 4.180 7.666 -4.486) 9.816 8.520 ( -2.790 7.814 3.025) 8.832 8.602 ( 0.843 2.990 -1.773) 3.577 9.007 ( -2.052 2.240 4.413) 5.357 9.139 ( 2.542 5.015 -3.453) 6.598 9.393 ( -1.712 7.946 3.219) 8.743 9.540 ( 3.378 -0.982 -4.557) 5.757 9.779 ( -2.015 3.124 1.972) 4.208 9.839 ( -0.928 4.297 1.100) 4.532 9.891 ( 1.067 -4.564 -2.377) 5.255 9.926 ( 0.781 -2.789 -1.325) 3.185 10.146 ( -1.079 2.674 1.767) 3.382 10.159 ( 0.623 0.681 -1.800) 2.023 10.332 ( -1.581 2.582 1.782) 3.513 10.395 ( -0.092 -2.675 -1.567) 3.102 10.446 ( 0.248 0.852 1.100) 1.413 10.579 ( 0.785 -2.309 -0.099) 2.440 11.113 ( -2.144 2.145 2.443) 3.894 11.257 ( 1.662 2.253 -2.663) 3.864 11.425 ( -0.030 -0.404 2.685) 2.716 11.594 ( 5.927 -2.104 -5.585) 8.411 11.855 ( -0.317 1.075 -0.034) 1.122 11.873 ( -2.233 -0.893 2.975) 3.826 12.216 ( -1.172 -1.275 1.255) 2.138 12.257 ( -1.269 -0.189 3.753) 3.967 12.263 ( 0.227 -0.370 -0.770) 0.884 12.408 ( 3.538 -1.232 -3.549) 5.161 12.786 ( -2.978 0.631 3.289) 4.482 12.913 ( 1.635 1.972 -4.365) 5.061 13.233 ( -0.053 0.131 -0.517) 0.536 13.237 ( -1.159 -1.632 2.007) 2.835 13.399 ( 0.050 0.812 2.569) 2.695 13.591 ( 5.158 -2.927 -5.730) 8.247 13.865 ( -2.235 -1.379 4.767) 5.442 13.977 ( 2.000 -1.272 -1.587) 2.852 14.477 ( -2.994 0.101 3.378) 4.515 14.643 ( 3.972 0.203 -5.974) 7.176 14.968 ( -4.470 -1.351 5.086) 6.905 15.059 ( 0.773 0.777 -3.502) 3.670 16.369 ( -0.264 15.402 0.228) 15.406 16.494 ( 1.781 14.944 0.073) 15.050 16.594 ( -0.038 5.690 2.967) 6.417 16.648 ( 1.169 -5.018 -2.126) 5.574 16.762 ( 4.083 -1.736 -4.129) 6.061 16.808 ( 0.711 -7.467 0.968) 7.563 17.293 ( -6.991 -5.348 10.028) 13.343 17.524 ( 4.895 -4.571 -8.927) 11.161 18.492 ( -0.675 6.159 3.895) 7.318 18.610 ( -8.202 9.179 4.909) 13.252 18.685 ( 5.908 -0.181 -4.728) 7.569 18.931 ( -0.035 8.531 -7.679) 11.478 19.303 ( 1.405 -3.111 1.561) 3.753 19.489 ( 1.778 -11.756 1.553) 11.990 19.575 ( -10.069 -1.797 7.901) 12.924 19.758 ( -1.930 -3.586 -6.340) 7.535 21.280 ( 2.633 -1.740 2.402) 3.967 21.341 ( 5.875 -1.425 -1.268) 6.177 21.847 ( -2.443 1.016 1.409) 2.998 21.921 ( 0.415 1.023 -1.954) 2.244 22.507 ( 0.376 -2.325 -0.176) 2.362 22.573 ( 1.182 -2.867 0.351) 3.121 22.760 ( -1.480 -0.248 -0.777) 1.690 22.789 ( -1.461 -2.822 0.246) 3.188 ======================= Grid point 90 (48/70) ======================= q-point: (-0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -0.439 5.876 0.439) 5.909 1.961 ( 1.280 5.511 -4.897) 7.482 1.976 ( 0.148 8.902 -0.132) 8.904 2.060 ( 0.307 8.297 -3.531) 9.022 2.162 ( -1.581 7.173 2.902) 7.897 2.275 ( -0.780 0.685 -3.746) 3.887 2.322 ( 3.071 3.028 -0.837) 4.393 2.347 ( -2.241 3.512 -0.911) 4.264 2.409 ( -2.841 -0.991 3.909) 4.933 2.485 ( -1.989 3.133 1.865) 4.153 2.528 ( 2.814 1.559 2.716) 4.210 2.598 ( -0.520 -4.687 2.181) 5.195 2.636 ( 1.080 3.267 -3.184) 4.688 2.701 ( 1.052 0.145 4.591) 4.712 2.736 ( 1.141 -0.159 -0.765) 1.383 2.773 ( 0.232 -4.934 -1.963) 5.315 2.861 ( -1.818 2.078 2.717) 3.873 2.925 ( -0.655 1.783 -2.149) 2.868 2.982 ( 1.936 -2.767 0.061) 3.377 3.017 ( 0.982 -3.917 1.424) 4.282 3.137 ( -2.673 -6.462 0.585) 7.017 3.198 ( 4.380 -4.323 -2.656) 6.703 3.300 ( -0.153 -1.899 -1.522) 2.439 3.330 ( -0.959 -3.353 3.308) 4.807 3.459 ( 1.017 -0.736 -6.883) 6.997 3.462 ( 0.427 5.472 -2.811) 6.166 3.492 ( -3.953 5.976 -0.782) 7.208 3.518 ( 1.371 2.215 -2.548) 3.644 3.593 ( -1.802 -0.509 2.326) 2.986 3.617 ( 0.913 -0.034 2.168) 2.352 3.682 ( -1.718 -0.953 -0.258) 1.982 3.744 ( -0.050 -7.765 -1.118) 7.845 3.784 ( 1.910 -0.290 -0.604) 2.024 3.815 ( 0.576 -3.435 -0.233) 3.491 3.836 ( -1.806 -1.977 2.120) 3.416 3.896 ( 1.005 -0.542 -0.195) 1.158 3.942 ( 0.691 -0.729 -0.069) 1.007 3.998 ( -0.064 0.470 -0.943) 1.056 4.114 ( -0.279 -0.548 6.056) 6.087 4.149 ( -0.859 -1.031 2.486) 2.825 4.192 ( -1.543 3.760 2.050) 4.552 4.210 ( -0.720 3.084 1.079) 3.346 4.306 ( 1.859 -1.736 -3.569) 4.382 4.339 ( -0.560 -0.275 -4.692) 4.733 4.400 ( -1.910 -0.012 -1.472) 2.411 4.432 ( 2.611 1.563 -2.109) 3.702 4.459 ( 1.577 -0.335 -0.487) 1.684 4.491 ( -0.088 0.426 -0.593) 0.736 4.546 ( 2.863 1.320 3.532) 4.734 4.618 ( 0.368 2.636 1.208) 2.923 4.675 ( 0.920 -1.281 -1.430) 2.129 4.715 ( -1.788 -0.801 -4.338) 4.759 4.819 ( 0.011 1.417 0.967) 1.716 4.866 ( 1.663 0.730 -1.689) 2.480 4.972 ( -2.819 -1.272 4.107) 5.142 5.001 ( -2.225 -0.223 1.241) 2.558 5.134 ( -2.256 -0.237 6.589) 6.969 5.184 ( -4.726 -3.459 7.615) 9.607 5.429 ( 6.177 0.545 -7.239) 9.532 5.501 ( 1.961 -0.093 -4.324) 4.749 5.553 ( -1.955 -0.531 1.723) 2.660 5.641 ( 3.198 -1.145 -2.461) 4.195 5.797 ( 1.935 2.794 0.259) 3.408 5.854 ( -1.364 0.772 -1.135) 1.935 5.865 ( -0.883 2.438 0.845) 2.728 5.928 ( -2.166 -0.265 -0.212) 2.192 6.052 ( 1.396 1.446 6.829) 7.119 6.084 ( 1.315 -3.460 1.063) 3.851 6.157 ( -1.253 1.698 -1.378) 2.520 6.302 ( 0.802 -0.170 -2.912) 3.025 6.567 ( -2.399 -0.956 -1.000) 2.770 6.599 ( 0.864 0.131 -1.850) 2.046 6.703 ( -1.006 1.382 3.850) 4.212 6.821 ( 1.300 1.652 -0.717) 2.221 6.866 ( -0.490 0.041 -1.060) 1.168 6.893 ( -0.602 -2.349 -1.238) 2.722 7.109 ( 0.121 0.384 -0.222) 0.460 7.126 ( 0.235 -1.431 -1.042) 1.786 7.232 ( -0.792 -0.248 5.469) 5.531 7.428 ( 1.431 0.148 -3.672) 3.944 8.235 ( -2.752 4.618 2.325) 5.857 8.362 ( 4.094 7.665 -3.818) 9.492 8.509 ( -2.704 8.041 3.314) 9.108 8.603 ( 1.504 2.991 -1.477) 3.659 9.008 ( -3.312 1.887 3.628) 5.263 9.148 ( 2.707 5.046 -2.658) 6.313 9.393 ( -2.402 8.669 2.822) 9.428 9.550 ( 3.506 -0.210 -3.950) 5.285 9.773 ( -1.474 2.523 2.031) 3.558 9.838 ( -0.694 3.478 0.980) 3.679 9.884 ( 1.303 -4.794 -2.271) 5.463 9.919 ( 0.664 -3.014 -1.788) 3.567 10.138 ( -1.405 3.286 0.775) 3.657 10.165 ( 1.868 0.649 -0.705) 2.100 10.327 ( -1.425 2.722 1.721) 3.522 10.382 ( 0.591 -2.064 -1.367) 2.545 10.472 ( 0.342 -0.198 2.394) 2.427 10.566 ( -0.866 -1.792 -1.951) 2.787 11.113 ( -1.470 2.226 2.863) 3.913 11.249 ( 1.526 2.261 -3.205) 4.209 11.447 ( -1.483 -0.410 3.039) 3.406 11.619 ( 4.506 -2.441 -5.658) 7.634 11.855 ( -2.689 0.120 2.122) 3.427 11.866 ( 0.120 0.262 1.307) 1.338 12.211 ( -0.934 -1.134 1.091) 1.831 12.254 ( -0.739 0.202 0.221) 0.797 12.273 ( -1.387 -0.653 2.384) 2.834 12.422 ( 2.697 -1.176 -3.275) 4.402 12.772 ( -2.618 0.548 2.661) 3.773 12.906 ( 3.044 1.857 -3.724) 5.156 13.237 ( -0.909 -0.916 1.264) 1.806 13.240 ( 0.350 -0.462 0.713) 0.919 13.411 ( -2.074 0.129 2.313) 3.110 13.593 ( 3.250 -2.298 -6.156) 7.331 13.882 ( -2.523 -1.975 4.981) 5.923 13.994 ( 1.661 -1.335 -0.947) 2.332 14.464 ( -2.779 0.127 2.906) 4.023 14.650 ( 5.003 0.362 -5.943) 7.777 14.936 ( -5.107 -0.885 3.622) 6.324 15.055 ( 2.807 0.890 -2.354) 3.770 16.381 ( 0.328 15.048 1.690) 15.146 16.483 ( -0.853 14.606 -2.706) 14.879 16.602 ( -2.535 6.795 2.003) 7.524 16.658 ( 1.615 -7.186 -0.276) 7.371 16.797 ( -1.816 -7.795 -0.868) 8.050 16.815 ( 5.790 0.339 -2.271) 6.228 17.258 ( -9.049 -6.043 7.690) 13.324 17.549 ( 7.849 -4.440 -5.722) 10.681 18.519 ( -4.166 13.328 3.731) 14.454 18.539 ( -2.982 3.441 3.659) 5.841 18.733 ( 4.751 1.857 -3.316) 6.084 18.858 ( 3.025 5.972 -8.522) 10.837 19.358 ( 0.665 -6.115 3.590) 7.123 19.486 ( -2.240 -12.298 -1.622) 12.605 19.515 ( -5.728 0.941 6.672) 8.844 19.730 ( 5.384 -3.324 -3.434) 7.200 21.316 ( -1.843 -2.029 2.325) 3.594 21.395 ( 1.582 -1.880 -0.950) 2.634 21.831 ( -1.316 1.278 1.508) 2.375 21.914 ( 1.470 1.268 -1.958) 2.757 22.518 ( 0.490 -2.133 0.781) 2.323 22.569 ( -0.860 -2.804 -1.435) 3.265 22.750 ( 0.252 -1.056 0.344) 1.139 22.770 ( -0.044 -1.891 -0.532) 1.965 ======================= Grid point 91 (49/70) ======================= q-point: (-0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -0.913 7.408 1.872) 7.695 1.919 ( 2.375 5.232 -6.308) 8.533 2.007 ( 2.528 9.821 1.171) 10.208 2.047 ( 2.117 6.059 -2.070) 6.744 2.169 ( -0.820 8.062 2.444) 8.464 2.254 ( 0.345 -1.806 1.025) 2.105 2.314 ( 0.169 6.437 -2.159) 6.791 2.376 ( 3.172 -1.855 0.138) 3.678 2.398 ( -3.196 5.273 3.315) 7.001 2.506 ( 0.694 1.504 3.173) 3.579 2.580 ( 0.650 0.327 1.096) 1.316 2.595 ( 0.891 -1.868 -4.093) 4.587 2.637 ( 1.122 -3.304 2.274) 4.165 2.714 ( 1.139 -1.340 -2.869) 3.365 2.733 ( -2.073 -2.748 -0.490) 3.477 2.786 ( -0.609 1.419 0.671) 1.684 2.849 ( -1.188 -2.630 0.811) 2.998 2.907 ( 0.074 4.871 -0.302) 4.881 2.993 ( -1.123 -1.151 -0.196) 1.619 3.046 ( 2.786 -5.429 -0.430) 6.117 3.084 ( -3.215 -5.204 0.558) 6.143 3.233 ( 2.232 1.568 -1.428) 3.079 3.292 ( -0.734 -0.654 0.586) 1.144 3.358 ( 0.494 -2.592 0.404) 2.669 3.375 ( -1.948 2.770 -2.005) 3.935 3.421 ( -2.387 -0.441 -0.733) 2.535 3.457 ( 1.635 -1.880 -2.624) 3.619 3.550 ( -4.677 -0.940 0.927) 4.860 3.584 ( 5.592 7.564 -0.211) 9.409 3.622 ( -1.665 -0.787 1.668) 2.484 3.695 ( 1.799 0.094 0.956) 2.040 3.732 ( 0.426 -0.044 -3.653) 3.678 3.784 ( 2.195 -5.548 -0.989) 6.047 3.829 ( -1.563 -3.369 2.489) 4.471 3.851 ( -3.084 0.143 0.209) 3.095 3.903 ( 5.224 -5.061 0.644) 7.302 3.966 ( 2.136 1.810 0.519) 2.847 4.004 ( 1.053 -1.334 -0.608) 1.805 4.111 ( -4.868 1.122 2.374) 5.531 4.167 ( -2.762 -2.457 4.769) 6.033 4.194 ( -1.164 3.669 1.214) 4.037 4.225 ( 0.300 2.045 2.565) 3.294 4.267 ( 0.573 -1.109 -5.810) 5.943 4.290 ( -0.631 -0.625 -2.792) 2.930 4.347 ( -1.549 -0.801 -0.709) 1.883 4.464 ( 2.794 0.408 -1.626) 3.258 4.489 ( 0.026 -0.224 -1.446) 1.463 4.495 ( 3.142 1.140 0.204) 3.349 4.586 ( -0.933 2.187 -3.068) 3.881 4.641 ( 1.068 0.174 2.003) 2.276 4.672 ( 2.935 0.810 0.147) 3.048 4.693 ( 1.904 -1.311 -1.214) 2.611 4.836 ( -0.469 -0.494 2.413) 2.507 4.888 ( 3.197 1.814 -2.414) 4.398 4.969 ( -2.574 -1.079 2.403) 3.683 4.984 ( -0.893 -0.471 1.947) 2.193 5.162 ( -2.089 -1.468 4.137) 4.862 5.203 ( -4.346 -1.700 8.541) 9.733 5.439 ( 5.611 0.508 -8.055) 9.830 5.494 ( 3.460 0.747 -4.726) 5.905 5.556 ( -0.591 -0.984 2.223) 2.502 5.666 ( 3.252 -0.198 -2.943) 4.390 5.789 ( -2.367 3.623 -2.243) 4.874 5.845 ( 2.128 2.945 1.637) 3.985 5.872 ( -2.192 -1.011 0.001) 2.414 5.910 ( 0.487 -2.008 2.556) 3.287 6.101 ( -1.637 0.529 0.451) 1.779 6.114 ( -0.555 -0.946 -0.291) 1.135 6.151 ( 0.958 1.947 5.063) 5.509 6.269 ( 1.250 -0.308 -5.509) 5.658 6.524 ( -2.257 -1.651 1.053) 2.988 6.604 ( 1.276 0.543 -0.766) 1.585 6.735 ( -0.173 1.204 3.339) 3.554 6.816 ( 1.032 2.147 -2.705) 3.605 6.862 ( -0.460 -1.116 -0.033) 1.207 6.874 ( -0.009 -1.754 0.108) 1.758 7.109 ( 0.069 0.058 0.034) 0.096 7.120 ( 0.100 -0.881 -0.741) 1.155 7.275 ( -1.186 -0.526 4.713) 4.888 7.396 ( 0.427 0.355 -4.478) 4.512 8.200 ( -3.976 4.380 2.035) 6.256 8.379 ( 2.816 8.252 -3.644) 9.450 8.508 ( -1.825 7.693 3.275) 8.558 8.615 ( 1.804 3.146 -1.580) 3.955 8.984 ( -4.179 1.313 3.561) 5.645 9.164 ( 2.497 5.177 -2.556) 6.291 9.380 ( -2.693 8.366 2.517) 9.142 9.563 ( 3.258 0.080 -3.910) 5.090 9.773 ( -1.386 1.598 2.109) 2.987 9.840 ( -0.303 3.413 0.941) 3.553 9.884 ( 1.311 -3.682 -1.729) 4.274 9.912 ( 1.086 -2.462 -1.875) 3.280 10.122 ( -1.309 3.150 0.464) 3.443 10.200 ( 3.066 -0.177 -0.711) 3.152 10.325 ( -1.339 3.176 2.042) 4.007 10.384 ( 1.294 -1.667 -1.158) 2.407 10.500 ( -1.082 -0.729 2.306) 2.649 10.518 ( -1.420 -1.750 -1.760) 2.860 11.127 ( -0.966 2.229 2.908) 3.789 11.242 ( 1.941 1.941 -2.972) 4.046 11.438 ( -3.357 -0.149 2.495) 4.185 11.611 ( 2.573 -2.072 -6.071) 6.912 11.831 ( -2.675 0.049 2.096) 3.399 11.891 ( 0.692 0.388 1.348) 1.564 12.211 ( -0.574 -1.058 1.108) 1.636 12.235 ( -3.278 0.053 2.399) 4.063 12.277 ( 0.284 -0.727 0.275) 0.828 12.420 ( 1.406 -1.288 -3.101) 3.640 12.765 ( -1.569 0.609 2.462) 2.982 12.928 ( 4.297 1.689 -3.426) 5.749 13.226 ( -1.437 -0.547 0.508) 1.620 13.259 ( 0.694 -0.787 0.602) 1.209 13.383 ( -4.697 -0.904 2.923) 5.606 13.571 ( 2.105 -1.146 -5.200) 5.726 13.890 ( -2.573 -2.078 3.885) 5.102 14.007 ( 1.335 -1.424 -1.288) 2.339 14.455 ( -2.084 0.144 2.790) 3.485 14.669 ( 5.318 0.421 -6.365) 8.305 14.895 ( -4.635 -0.108 4.189) 6.249 15.090 ( 3.767 0.203 -1.638) 4.112 16.413 ( 0.334 14.588 2.655) 14.831 16.430 ( -1.379 15.318 -2.532) 15.587 16.559 ( -4.561 6.925 1.131) 8.369 16.686 ( 1.631 -6.564 -0.000) 6.764 16.739 ( -2.562 -9.452 -1.767) 9.951 16.881 ( 4.692 0.988 -2.609) 5.458 17.185 ( -9.245 -6.676 7.229) 13.502 17.630 ( 8.459 -3.818 -5.195) 10.636 18.465 ( -4.680 3.975 2.939) 6.808 18.574 ( -0.823 11.236 5.092) 12.363 18.735 ( 0.439 8.637 -3.566) 9.354 18.869 ( 8.568 -0.681 -7.267) 11.256 19.380 ( -3.203 -8.133 1.114) 8.811 19.431 ( -1.162 -10.179 2.529) 10.553 19.534 ( -0.526 -0.321 3.491) 3.545 19.835 ( 10.940 -1.163 -3.090) 11.427 21.276 ( -5.417 -1.543 1.889) 5.941 21.365 ( -3.869 -1.717 -0.742) 4.297 21.839 ( 0.310 0.950 1.297) 1.638 21.923 ( 2.041 1.186 -1.851) 3.000 22.525 ( -1.240 -2.111 -0.657) 2.535 22.545 ( 0.271 -2.744 0.805) 2.872 22.744 ( -0.346 -0.158 -0.535) 0.656 22.795 ( 2.347 -2.936 0.028) 3.759 ======================= Grid point 92 (50/70) ======================= q-point: (-0.17 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -1.352 10.212 3.204) 10.788 1.916 ( 3.565 4.551 -3.502) 6.759 2.041 ( 1.181 1.192 -0.518) 1.756 2.102 ( 4.109 9.427 1.448) 10.385 2.194 ( 0.391 9.833 2.522) 10.159 2.261 ( -0.816 4.174 -1.826) 4.628 2.321 ( 1.795 4.617 0.432) 4.972 2.367 ( -4.873 3.473 4.279) 7.356 2.432 ( 3.412 -0.941 -0.771) 3.622 2.521 ( 0.126 3.240 -3.333) 4.650 2.566 ( 1.046 -5.550 -0.246) 5.654 2.623 ( -0.524 0.340 1.181) 1.336 2.665 ( -2.188 -4.334 -0.505) 4.881 2.680 ( 0.901 -2.626 2.317) 3.616 2.716 ( 1.971 -1.207 -1.195) 2.602 2.780 ( 1.033 -2.858 -1.841) 3.553 2.818 ( -1.995 -0.229 -0.541) 2.080 2.893 ( 0.238 0.510 -2.342) 2.409 2.975 ( 0.026 -2.352 -0.339) 2.376 3.058 ( -2.271 -1.909 1.440) 3.297 3.089 ( 3.323 -1.598 -2.398) 4.398 3.265 ( 0.749 0.613 1.886) 2.119 3.280 ( -2.418 1.462 -0.374) 2.850 3.289 ( -2.568 0.310 1.732) 3.113 3.383 ( -1.583 2.463 1.588) 3.330 3.418 ( 1.039 -4.076 1.044) 4.334 3.447 ( -0.304 -1.749 -0.296) 1.800 3.511 ( -2.001 0.299 2.092) 2.910 3.576 ( -2.024 4.151 -1.160) 4.762 3.667 ( 1.608 5.497 0.805) 5.783 3.711 ( 1.099 1.901 -0.792) 2.335 3.743 ( 2.018 -0.980 0.246) 2.257 3.791 ( -0.423 -0.891 0.053) 0.988 3.818 ( 2.607 -4.302 -0.704) 5.079 3.870 ( 1.414 -2.855 0.895) 3.309 3.973 ( -0.579 -2.910 0.233) 2.976 4.007 ( 2.506 -3.216 -0.680) 4.133 4.022 ( 2.117 0.124 -0.895) 2.302 4.057 ( -3.061 1.701 2.030) 4.047 4.134 ( -4.149 -2.725 -0.240) 4.969 4.157 ( -0.381 2.956 -3.090) 4.293 4.221 ( -1.820 -1.326 -1.155) 2.531 4.257 ( 0.234 2.217 -0.252) 2.244 4.284 ( 1.555 0.811 2.531) 3.079 4.344 ( 0.156 -3.701 0.983) 3.832 4.411 ( -2.418 -0.886 -2.693) 3.726 4.500 ( 1.697 -1.163 0.429) 2.101 4.558 ( 3.983 1.926 -1.799) 4.776 4.590 ( 3.602 -0.334 -2.249) 4.259 4.647 ( -0.236 0.876 -1.194) 1.500 4.692 ( 1.687 -0.820 -1.368) 2.322 4.727 ( -0.619 -0.543 1.327) 1.562 4.863 ( -1.054 -1.083 4.541) 4.786 4.912 ( -0.098 2.015 1.215) 2.355 4.960 ( 0.856 -0.351 0.193) 0.945 5.001 ( 0.686 0.935 0.310) 1.200 5.156 ( -2.814 -1.390 2.356) 3.925 5.215 ( -4.639 -1.601 6.583) 8.211 5.431 ( 4.646 0.265 -8.403) 9.605 5.511 ( 4.014 1.969 -3.488) 5.670 5.585 ( 0.664 -1.051 2.916) 3.170 5.676 ( 2.403 0.240 -3.681) 4.403 5.745 ( -0.938 2.708 -0.166) 2.871 5.843 ( -1.233 0.440 0.655) 1.464 5.890 ( 1.173 1.839 0.972) 2.388 5.939 ( -0.806 -1.824 1.731) 2.641 6.048 ( -1.625 0.672 -2.263) 2.866 6.101 ( -0.077 -2.242 -3.544) 4.195 6.200 ( -0.886 2.502 3.570) 4.449 6.247 ( 2.419 -0.485 -3.117) 3.975 6.524 ( -1.531 -1.687 4.399) 4.954 6.622 ( 0.891 0.909 0.747) 1.475 6.752 ( -0.789 1.501 0.363) 1.734 6.814 ( 1.795 1.506 -2.130) 3.167 6.853 ( -0.324 -1.318 1.046) 1.714 6.884 ( -0.440 -1.046 1.278) 1.709 7.113 ( 0.123 -0.211 0.268) 0.363 7.114 ( 0.066 -0.523 -0.276) 0.595 7.290 ( -1.981 -0.828 2.479) 3.280 7.356 ( 1.139 0.489 -4.260) 4.437 8.164 ( -3.289 4.306 2.716) 6.061 8.372 ( 1.778 8.679 -4.220) 9.813 8.519 ( -1.241 7.243 2.961) 7.923 8.623 ( 1.524 3.244 -1.915) 4.064 8.960 ( -3.815 1.069 4.273) 5.827 9.169 ( 2.063 5.460 -3.354) 6.732 9.367 ( -2.341 7.291 2.729) 8.129 9.565 ( 2.777 -0.563 -4.654) 5.449 9.776 ( -1.300 0.933 2.671) 3.114 9.847 ( -0.417 4.334 1.128) 4.498 9.888 ( 1.285 -2.520 -1.313) 3.119 9.913 ( 1.462 -1.317 -1.809) 2.673 10.110 ( -0.966 2.563 0.979) 2.909 10.233 ( 2.485 -0.911 -2.448) 3.605 10.333 ( -0.880 2.757 2.935) 4.122 10.395 ( 1.546 -0.925 -1.340) 2.245 10.464 ( -1.074 0.417 -0.845) 1.429 10.515 ( -2.021 -3.306 2.520) 4.623 11.141 ( -1.148 2.281 2.518) 3.586 11.246 ( 2.308 1.471 -2.786) 3.905 11.403 ( -3.583 0.241 2.176) 4.199 11.579 ( 2.363 -1.421 -6.452) 7.017 11.820 ( -1.582 -0.172 2.501) 2.965 11.909 ( -0.055 0.437 0.544) 0.700 12.208 ( -3.283 -0.072 3.296) 4.653 12.218 ( -0.865 -1.320 1.653) 2.285 12.285 ( 0.736 -0.725 -0.665) 1.229 12.403 ( 1.013 -1.434 -3.283) 3.723 12.774 ( -1.060 0.767 2.842) 3.128 12.959 ( 4.262 1.408 -4.071) 6.059 13.211 ( -0.826 0.085 0.707) 1.091 13.271 ( 0.245 -1.320 0.122) 1.348 13.336 ( -5.077 -0.385 3.860) 6.390 13.552 ( 1.992 -1.519 -4.149) 4.847 13.882 ( -2.438 -1.574 1.996) 3.522 14.007 ( 1.138 -1.465 -2.431) 3.058 14.459 ( -1.629 0.029 3.304) 3.683 14.675 ( 4.258 0.485 -6.689) 7.944 14.891 ( -3.045 0.193 6.425) 7.113 15.127 ( 2.836 -0.580 -2.024) 3.532 16.390 ( -0.530 16.227 -1.113) 16.274 16.449 ( -0.003 14.841 2.233) 15.008 16.492 ( -4.360 6.967 1.349) 8.329 16.689 ( -0.329 -8.819 -2.097) 9.071 16.710 ( 0.690 -7.144 0.282) 7.183 16.889 ( 1.749 -0.543 -5.671) 5.960 17.148 ( -6.438 -6.281 10.314) 13.685 17.683 ( 6.323 -3.503 -7.910) 10.715 18.439 ( -2.710 -0.081 3.160) 4.164 18.622 ( -1.935 12.544 7.535) 14.760 18.697 ( 0.879 8.127 -4.571) 9.366 18.938 ( 7.560 0.042 -5.098) 9.118 19.322 ( -1.808 -7.845 -0.986) 8.111 19.475 ( -1.438 -9.211 3.511) 9.962 19.558 ( -0.044 -0.303 3.706) 3.719 19.976 ( 10.337 -0.893 -5.261) 11.633 21.202 ( -5.049 -0.877 1.401) 5.312 21.273 ( -5.108 -1.084 -0.921) 5.303 21.861 ( 0.395 0.591 1.262) 1.448 21.935 ( 1.718 0.802 -1.590) 2.474 22.500 ( -0.603 -2.783 -0.313) 2.865 22.558 ( -0.266 -2.438 0.478) 2.498 22.742 ( 0.330 1.670 0.737) 1.855 22.829 ( 1.637 -4.655 -0.178) 4.937 ======================= Grid point 117 (51/70) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 5.513 0.000 -18.939) 19.725 0.772 ( -5.513 0.000 18.939) 19.725 0.948 ( 2.617 0.000 -25.761) 25.894 0.948 ( -2.617 0.000 25.761) 25.894 1.563 ( 9.117 0.000 -25.868) 27.428 1.563 ( -9.117 0.000 25.868) 27.428 2.169 ( 8.782 0.000 -7.797) 11.744 2.169 ( -8.782 0.000 7.797) 11.744 2.271 ( -1.959 0.000 -0.197) 1.969 2.271 ( 1.959 0.000 0.197) 1.969 2.399 ( -1.175 0.000 -0.682) 1.358 2.399 ( 1.175 0.000 0.682) 1.358 2.491 ( 5.601 0.000 -3.129) 6.416 2.491 ( -5.601 0.000 3.129) 6.416 2.701 ( 3.375 0.000 -9.578) 10.155 2.701 ( -3.375 0.000 9.578) 10.155 2.878 ( -1.987 0.000 -3.746) 4.241 2.878 ( 1.987 0.000 3.746) 4.241 2.984 ( 3.869 0.000 -6.445) 7.517 2.984 ( -3.869 0.000 6.445) 7.517 3.210 ( -6.688 0.000 1.601) 6.877 3.210 ( 6.688 0.000 -1.601) 6.877 3.350 ( 2.708 0.000 -1.162) 2.947 3.350 ( -2.708 0.000 1.162) 2.947 3.433 ( -5.123 0.000 0.919) 5.205 3.433 ( 5.123 0.000 -0.919) 5.205 3.453 ( 1.120 0.000 -2.477) 2.718 3.453 ( -1.120 0.000 2.477) 2.718 3.655 ( 7.772 0.000 -5.452) 9.494 3.655 ( -7.772 0.000 5.452) 9.494 3.792 ( -0.647 0.000 -9.438) 9.460 3.792 ( 0.647 0.000 9.438) 9.460 3.898 ( 1.776 0.000 -1.413) 2.269 3.898 ( -1.776 0.000 1.413) 2.269 4.078 ( -3.485 0.000 -3.873) 5.210 4.078 ( 3.485 0.000 3.873) 5.210 4.134 ( 1.541 0.000 -3.772) 4.075 4.134 ( -1.541 0.000 3.772) 4.075 4.164 ( 4.618 0.000 -2.722) 5.361 4.164 ( -4.618 0.000 2.722) 5.361 4.297 ( -3.886 0.000 1.111) 4.041 4.297 ( 3.886 0.000 -1.111) 4.041 4.359 ( -2.477 0.000 -1.934) 3.143 4.359 ( 2.477 0.000 1.934) 3.143 4.423 ( 2.118 0.000 -5.510) 5.903 4.423 ( -2.118 0.000 5.510) 5.903 4.595 ( -2.330 0.000 -3.609) 4.296 4.595 ( 2.330 0.000 3.609) 4.296 4.639 ( -4.536 0.000 1.187) 4.689 4.639 ( 4.536 0.000 -1.187) 4.689 4.713 ( -5.554 0.000 -1.902) 5.870 4.713 ( 5.554 0.000 1.902) 5.870 4.789 ( 0.517 0.000 -0.741) 0.903 4.789 ( -0.517 0.000 0.741) 0.903 5.114 ( -2.419 0.000 -1.614) 2.908 5.114 ( 2.419 0.000 1.614) 2.908 5.286 ( -0.746 0.000 -1.270) 1.473 5.286 ( 0.746 0.000 1.270) 1.473 5.415 ( 1.451 0.000 -2.352) 2.764 5.415 ( -1.451 0.000 2.352) 2.764 5.447 ( 0.561 0.000 -4.300) 4.336 5.447 ( -0.561 0.000 4.300) 4.336 5.719 ( 3.244 0.000 -1.469) 3.561 5.719 ( -3.244 0.000 1.469) 3.561 5.871 ( 2.442 0.000 -2.899) 3.790 5.871 ( -2.442 0.000 2.899) 3.790 6.078 ( -1.676 0.000 -0.508) 1.751 6.078 ( 1.676 0.000 0.508) 1.751 6.251 ( -3.519 0.000 -2.386) 4.251 6.251 ( 3.519 0.000 2.386) 4.251 6.446 ( 0.729 0.000 -3.327) 3.406 6.446 ( -0.729 0.000 3.327) 3.406 6.667 ( 3.416 0.000 -4.089) 5.328 6.667 ( -3.416 0.000 4.089) 5.328 6.967 ( 4.104 0.000 -3.914) 5.672 6.967 ( -4.104 0.000 3.914) 5.672 7.053 ( 1.436 0.000 -2.892) 3.229 7.053 ( -1.436 0.000 2.892) 3.229 7.434 ( 4.842 0.000 -8.321) 9.628 7.434 ( -4.842 0.000 8.321) 9.628 7.498 ( -3.919 0.000 -3.601) 5.322 7.498 ( 3.919 0.000 3.601) 5.322 7.679 ( 3.241 0.000 -3.096) 4.482 7.679 ( -3.241 0.000 3.096) 4.482 8.422 ( 1.034 0.000 -3.794) 3.933 8.422 ( -1.034 0.000 3.794) 3.933 8.888 ( 7.905 0.000 -11.556) 14.001 8.888 ( -7.905 0.000 11.556) 14.001 9.500 ( -0.612 0.000 -0.998) 1.171 9.500 ( 0.612 0.000 0.998) 1.171 9.725 ( 3.461 0.000 -5.298) 6.328 9.725 ( -3.461 0.000 5.298) 6.328 9.841 ( 4.567 0.000 -3.882) 5.994 9.841 ( -4.567 0.000 3.882) 5.994 9.966 ( 1.330 0.000 -0.910) 1.611 9.966 ( -1.330 0.000 0.910) 1.611 10.748 ( 1.439 0.000 -1.543) 2.110 10.748 ( -1.439 0.000 1.543) 2.110 11.029 ( -6.151 0.000 0.906) 6.218 11.029 ( 6.151 0.000 -0.906) 6.218 11.513 ( 12.254 0.000 -8.794) 15.083 11.513 ( -12.254 0.000 8.794) 15.083 11.871 ( 7.113 0.000 -3.593) 7.969 11.871 ( -7.113 0.000 3.593) 7.969 12.315 ( 3.467 0.000 -4.661) 5.809 12.315 ( -3.467 0.000 4.661) 5.809 12.576 ( 2.155 0.000 -8.171) 8.451 12.576 ( -2.155 0.000 8.171) 8.451 12.705 ( 1.759 0.000 -1.768) 2.494 12.705 ( -1.759 0.000 1.768) 2.494 13.381 ( 2.621 0.000 -3.731) 4.560 13.381 ( -2.621 0.000 3.731) 4.560 13.531 ( -0.499 0.000 -9.641) 9.654 13.531 ( 0.499 0.000 9.641) 9.654 14.110 ( 1.573 0.000 -1.796) 2.388 14.110 ( -1.573 0.000 1.796) 2.388 14.459 ( 3.138 0.000 -5.537) 6.364 14.459 ( -3.138 0.000 5.537) 6.364 14.846 ( 21.318 0.000 -9.444) 23.316 14.846 ( -21.318 0.000 9.444) 23.316 15.605 ( -8.254 0.000 -3.088) 8.812 15.605 ( 8.254 0.000 3.088) 8.812 16.407 ( -4.647 0.000 -0.695) 4.699 16.407 ( 4.647 0.000 0.695) 4.699 16.824 ( 1.046 0.000 -2.845) 3.032 16.824 ( -1.046 0.000 2.845) 3.032 17.246 ( -4.295 0.000 -1.924) 4.706 17.246 ( 4.295 0.000 1.924) 4.706 18.177 ( -9.022 0.000 -5.687) 10.665 18.177 ( 9.022 0.000 5.687) 10.665 18.606 ( -27.039 0.000 3.175) 27.225 18.606 ( 27.039 0.000 -3.175) 27.225 19.417 ( 6.987 0.000 -7.035) 9.915 19.417 ( -6.987 0.000 7.035) 9.915 20.340 ( -13.410 0.000 -7.290) 15.263 20.340 ( 13.410 0.000 7.290) 15.263 21.324 ( -4.350 0.000 -1.804) 4.709 21.324 ( 4.350 0.000 1.804) 4.709 21.933 ( -1.538 0.000 -1.547) 2.182 21.933 ( 1.538 0.000 1.547) 2.182 22.888 ( 3.856 0.000 -2.037) 4.361 22.888 ( -3.856 0.000 2.037) 4.361 23.560 ( -9.409 0.000 2.927) 9.854 23.560 ( 9.409 0.000 -2.927) 9.854 ======================= Grid point 119 (52/70) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 10.854 0.000 -20.033) 22.785 0.825 ( 16.423 0.000 -20.144) 25.991 0.979 ( 6.949 0.000 12.817) 14.580 1.246 ( 4.934 0.000 20.468) 21.054 1.437 ( 19.265 0.000 -32.313) 37.620 1.573 ( -10.489 0.000 2.579) 10.801 2.117 ( -8.034 0.000 8.832) 11.939 2.209 ( -0.680 0.000 4.559) 4.609 2.286 ( 3.274 0.000 -3.858) 5.059 2.289 ( -1.464 0.000 -0.544) 1.562 2.335 ( -9.032 0.000 -0.456) 9.043 2.346 ( -3.609 0.000 0.769) 3.690 2.468 ( -3.801 0.000 7.607) 8.504 2.564 ( 5.603 0.000 -4.609) 7.255 2.674 ( 3.132 0.000 -2.789) 4.193 2.758 ( -2.246 0.000 9.439) 9.703 2.840 ( 0.697 0.000 -1.829) 1.957 2.921 ( -3.517 0.000 3.180) 4.742 2.978 ( -0.691 0.000 -0.034) 0.692 3.014 ( -2.159 0.000 6.722) 7.061 3.170 ( 0.897 0.000 -0.971) 1.322 3.284 ( 1.963 0.000 -4.382) 4.802 3.305 ( -2.708 0.000 0.551) 2.763 3.325 ( 0.798 0.000 -1.603) 1.790 3.421 ( 3.585 0.000 2.997) 4.672 3.427 ( 0.529 0.000 0.468) 0.707 3.510 ( 3.474 0.000 -0.231) 3.481 3.564 ( 3.041 0.000 3.072) 4.323 3.606 ( -2.898 0.000 3.807) 4.785 3.653 ( -2.760 0.000 -6.724) 7.268 3.707 ( 4.930 0.000 -5.977) 7.748 3.763 ( -8.893 0.000 0.802) 8.929 3.827 ( -2.625 0.000 -6.666) 7.164 3.903 ( 0.974 0.000 -1.778) 2.027 4.001 ( -3.781 0.000 1.440) 4.046 4.032 ( -8.446 0.000 -1.551) 8.587 4.079 ( -1.503 0.000 -0.888) 1.746 4.087 ( -2.994 0.000 -5.052) 5.873 4.203 ( 2.328 0.000 6.496) 6.900 4.212 ( 0.274 0.000 3.139) 3.151 4.254 ( -3.008 0.000 -3.152) 4.357 4.295 ( 3.161 0.000 1.746) 3.611 4.366 ( 1.780 0.000 -4.049) 4.423 4.375 ( -1.397 0.000 0.495) 1.483 4.423 ( -2.968 0.000 3.387) 4.503 4.488 ( 4.358 0.000 1.235) 4.530 4.488 ( -4.388 0.000 -0.889) 4.477 4.545 ( -5.480 0.000 -1.231) 5.616 4.670 ( 0.267 0.000 5.658) 5.664 4.671 ( 2.681 0.000 -2.295) 3.530 4.689 ( 5.358 0.000 -1.042) 5.458 4.784 ( 1.561 0.000 -0.858) 1.781 4.803 ( 1.827 0.000 -0.044) 1.828 4.807 ( 2.729 0.000 -0.698) 2.816 5.061 ( 0.705 0.000 -4.303) 4.360 5.131 ( -0.427 0.000 -2.469) 2.506 5.285 ( 3.224 0.000 -1.354) 3.497 5.312 ( 0.950 0.000 1.261) 1.578 5.414 ( 1.164 0.000 -4.049) 4.213 5.433 ( 1.331 0.000 0.628) 1.472 5.443 ( 0.554 0.000 3.499) 3.543 5.485 ( 0.753 0.000 1.556) 1.729 5.714 ( -1.221 0.000 3.850) 4.038 5.762 ( 2.628 0.000 -2.371) 3.539 5.854 ( -2.941 0.000 3.997) 4.963 5.855 ( 0.487 0.000 -3.698) 3.730 6.080 ( 0.127 0.000 2.795) 2.798 6.136 ( 2.653 0.000 2.482) 3.633 6.179 ( -1.968 0.000 -1.610) 2.543 6.321 ( 2.441 0.000 -0.394) 2.473 6.435 ( 0.277 0.000 -0.218) 0.353 6.473 ( -3.887 0.000 6.835) 7.862 6.642 ( -3.928 0.000 2.457) 4.633 6.659 ( 2.860 0.000 -6.573) 7.168 6.963 ( -2.923 0.000 5.237) 5.998 6.997 ( 4.812 0.000 -5.896) 7.611 7.041 ( 1.301 0.000 -3.093) 3.356 7.065 ( -2.949 0.000 6.154) 6.824 7.348 ( 1.822 0.000 -9.159) 9.338 7.428 ( -5.521 0.000 7.354) 9.195 7.492 ( 4.136 0.000 -1.936) 4.566 7.596 ( 2.565 0.000 1.840) 3.157 7.655 ( -3.734 0.000 3.537) 5.143 7.687 ( 1.915 0.000 -3.074) 3.622 8.403 ( 1.619 0.000 -3.401) 3.767 8.445 ( -1.537 0.000 3.563) 3.880 8.888 ( -7.830 0.000 11.500) 13.912 8.889 ( 8.013 0.000 -11.717) 14.195 9.486 ( -0.558 0.000 0.486) 0.740 9.517 ( -0.693 0.000 1.935) 2.056 9.715 ( -4.057 0.000 3.366) 5.271 9.727 ( 4.130 0.000 -5.763) 7.090 9.813 ( -4.456 0.000 3.890) 5.915 9.904 ( 4.831 0.000 0.530) 4.860 9.962 ( -0.789 0.000 1.122) 1.371 9.987 ( 2.152 0.000 -0.774) 2.287 10.730 ( -3.549 0.000 2.674) 4.443 10.734 ( 0.069 0.000 -3.750) 3.751 10.922 ( -7.761 0.000 3.914) 8.692 11.010 ( -2.704 0.000 -6.195) 6.759 11.513 ( -4.741 0.000 12.389) 13.265 11.711 ( 9.450 0.000 2.182) 9.699 11.819 ( -4.309 0.000 3.635) 5.638 11.975 ( 7.080 0.000 -2.035) 7.366 12.320 ( 2.638 0.000 -4.005) 4.796 12.348 ( 0.051 0.000 8.142) 8.142 12.536 ( 4.436 0.000 -8.135) 9.265 12.614 ( -3.318 0.000 4.803) 5.838 12.704 ( -1.011 0.000 1.832) 2.092 12.732 ( 2.398 0.000 -0.379) 2.428 13.223 ( -7.081 0.000 -14.035) 15.720 13.352 ( -5.284 0.000 4.374) 6.859 13.550 ( 5.802 0.000 3.520) 6.787 13.641 ( -1.033 0.000 8.579) 8.641 14.105 ( -1.523 0.000 1.962) 2.484 14.114 ( 1.406 0.000 -1.900) 2.364 14.356 ( -18.080 0.000 -3.192) 18.359 14.439 ( 2.591 0.000 -6.128) 6.653 14.533 ( -5.337 0.000 0.453) 5.356 14.917 ( 5.199 0.000 -11.009) 12.175 15.550 ( 5.719 0.000 -3.291) 6.598 15.774 ( 11.119 0.000 -5.684) 12.487 16.298 ( -6.025 0.000 -1.000) 6.107 16.430 ( -0.946 0.000 -2.420) 2.599 16.810 ( 0.595 0.000 -1.624) 1.729 16.836 ( -0.737 0.000 2.053) 2.181 17.189 ( 1.185 0.000 -4.001) 4.172 17.339 ( 3.767 0.000 -1.197) 3.953 17.857 ( -20.303 0.000 10.631) 22.918 18.224 ( -6.798 0.000 7.278) 9.960 18.461 ( -2.901 0.000 4.905) 5.699 18.913 ( -3.270 0.000 9.993) 10.514 19.517 ( 3.403 0.000 9.467) 10.060 19.704 ( 22.520 0.000 -0.834) 22.536 20.148 ( -3.345 0.000 -4.063) 5.263 20.737 ( 9.325 0.000 8.530) 12.638 21.335 ( 15.266 0.000 4.457) 15.903 21.427 ( 7.218 0.000 -0.547) 7.238 21.880 ( -2.885 0.000 -0.762) 2.984 21.948 ( -1.626 0.000 0.380) 1.670 22.867 ( -1.982 0.000 3.599) 4.109 22.928 ( 3.822 0.000 -2.913) 4.805 23.161 ( -27.346 0.000 -17.226) 32.319 23.531 ( -4.638 0.000 -4.571) 6.512 ======================= Grid point 120 (53/70) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 12.985 0.000 -10.606) 16.766 1.002 ( 23.361 0.000 -11.378) 25.984 1.212 ( 6.935 0.000 -6.121) 9.250 1.375 ( -11.906 0.000 11.970) 16.882 1.467 ( -3.001 0.000 9.145) 9.625 1.497 ( 22.985 0.000 -22.915) 32.456 2.097 ( -2.900 0.000 4.357) 5.234 2.194 ( -5.755 0.000 2.510) 6.278 2.222 ( -5.356 0.000 6.120) 8.132 2.241 ( -2.435 0.000 -0.474) 2.481 2.249 ( -1.270 0.000 -4.348) 4.530 2.306 ( -2.073 0.000 -0.753) 2.205 2.509 ( -2.691 0.000 6.535) 7.068 2.525 ( 1.311 0.000 -7.696) 7.806 2.722 ( 1.809 0.000 0.551) 1.891 2.809 ( -7.980 0.000 5.942) 9.949 2.822 ( 2.409 0.000 -4.869) 5.432 2.864 ( -2.690 0.000 4.266) 5.044 3.000 ( 0.807 0.000 3.456) 3.549 3.027 ( -3.447 0.000 3.913) 5.215 3.105 ( -1.763 0.000 -4.580) 4.907 3.212 ( -0.705 0.000 -7.630) 7.663 3.364 ( 3.451 0.000 3.497) 4.913 3.368 ( 2.782 0.000 0.168) 2.787 3.457 ( 1.770 0.000 0.892) 1.982 3.481 ( -1.200 0.000 0.731) 1.405 3.527 ( 1.704 0.000 2.186) 2.771 3.580 ( -4.391 0.000 7.766) 8.922 3.602 ( -1.222 0.000 0.527) 1.331 3.649 ( -0.987 0.000 -2.217) 2.427 3.664 ( 0.240 0.000 -0.493) 0.549 3.686 ( 5.492 0.000 -9.161) 10.681 3.799 ( 4.598 0.000 -4.421) 6.379 3.850 ( -8.807 0.000 6.698) 11.065 3.934 ( 0.828 0.000 -2.643) 2.769 3.963 ( -2.692 0.000 1.106) 2.911 4.072 ( 1.916 0.000 -0.089) 1.918 4.079 ( 3.125 0.000 -1.575) 3.499 4.156 ( -0.685 0.000 -3.566) 3.632 4.246 ( -2.159 0.000 -4.579) 5.063 4.254 ( 0.153 0.000 1.245) 1.254 4.317 ( 1.684 0.000 5.176) 5.443 4.361 ( -7.969 0.000 3.557) 8.727 4.363 ( 0.598 0.000 -1.108) 1.259 4.395 ( -1.532 0.000 2.402) 2.849 4.438 ( -4.978 0.000 -1.599) 5.228 4.448 ( -1.542 0.000 1.946) 2.483 4.530 ( 0.318 0.000 -0.567) 0.650 4.660 ( 0.524 0.000 -0.483) 0.713 4.715 ( -1.369 0.000 2.796) 3.113 4.783 ( 2.446 0.000 -0.833) 2.584 4.790 ( 0.470 0.000 -0.563) 0.733 4.843 ( 1.424 0.000 1.309) 1.934 4.859 ( 5.090 0.000 -2.123) 5.515 5.055 ( 1.681 0.000 -0.500) 1.754 5.083 ( 0.390 0.000 -4.070) 4.088 5.338 ( 4.129 0.000 -1.475) 4.384 5.360 ( 1.789 0.000 2.653) 3.200 5.394 ( 1.141 0.000 -2.497) 2.745 5.454 ( -2.755 0.000 4.120) 4.956 5.499 ( 0.366 0.000 4.125) 4.141 5.503 ( 3.006 0.000 -3.045) 4.279 5.743 ( 0.639 0.000 -2.958) 3.026 5.750 ( -1.634 0.000 5.642) 5.874 5.823 ( 1.311 0.000 -3.609) 3.840 5.865 ( -1.841 0.000 2.843) 3.387 6.118 ( -2.166 0.000 6.222) 6.588 6.174 ( 3.766 0.000 -1.545) 4.070 6.200 ( 1.275 0.000 2.301) 2.631 6.293 ( -1.216 0.000 -6.257) 6.374 6.443 ( 0.048 0.000 0.858) 0.860 6.465 ( -3.714 0.000 4.173) 5.586 6.604 ( -4.228 0.000 3.479) 5.475 6.623 ( 2.792 0.000 -7.605) 8.101 6.974 ( -4.090 0.000 6.609) 7.772 6.987 ( 3.762 0.000 -7.120) 8.053 7.035 ( 3.136 0.000 -4.145) 5.197 7.069 ( -3.390 0.000 3.727) 5.038 7.351 ( 6.711 0.000 -5.805) 8.873 7.417 ( -5.310 0.000 6.385) 8.304 7.550 ( 2.693 0.000 1.173) 2.937 7.608 ( -2.203 0.000 1.575) 2.708 7.658 ( -1.088 0.000 3.048) 3.237 7.677 ( 1.220 0.000 -2.956) 3.198 8.402 ( 2.356 0.000 -2.608) 3.515 8.444 ( -2.804 0.000 2.628) 3.843 8.888 ( -7.767 0.000 11.567) 13.933 8.890 ( 8.071 0.000 -11.823) 14.315 9.493 ( 0.473 0.000 0.763) 0.898 9.523 ( -0.819 0.000 1.172) 1.430 9.685 ( -3.395 0.000 3.316) 4.745 9.716 ( 2.287 0.000 -5.811) 6.245 9.798 ( -2.427 0.000 4.417) 5.040 9.916 ( -1.459 0.000 -3.673) 3.952 9.988 ( 0.351 0.000 2.865) 2.886 10.009 ( 1.734 0.000 -1.393) 2.225 10.672 ( 3.241 0.000 -9.906) 10.422 10.695 ( -5.664 0.000 4.820) 7.438 10.874 ( -3.824 0.000 3.885) 5.451 10.904 ( -0.494 0.000 -5.216) 5.239 11.595 ( -3.623 0.000 14.244) 14.698 11.788 ( 2.791 0.000 -4.315) 5.139 11.809 ( -2.175 0.000 4.127) 4.665 11.935 ( -0.964 0.000 -11.171) 11.212 12.315 ( 2.106 0.000 -3.479) 4.067 12.378 ( -5.270 0.000 1.509) 5.481 12.539 ( 6.040 0.000 -7.089) 9.313 12.588 ( -4.235 0.000 4.617) 6.265 12.708 ( -0.884 0.000 1.676) 1.895 12.723 ( 0.618 0.000 -3.024) 3.087 13.121 ( 6.532 0.000 -2.716) 7.074 13.305 ( -6.091 0.000 3.580) 7.065 13.652 ( 1.292 0.000 1.178) 1.748 13.681 ( -3.399 0.000 5.601) 6.552 14.105 ( -1.304 0.000 2.108) 2.479 14.114 ( 1.234 0.000 -2.029) 2.375 14.262 ( 0.620 0.000 11.312) 11.329 14.413 ( 3.165 0.000 -6.925) 7.614 14.550 ( 0.863 0.000 5.546) 5.612 14.835 ( 0.712 0.000 -11.713) 11.735 15.656 ( 6.398 0.000 2.125) 6.741 15.824 ( 4.424 0.000 -7.463) 8.676 16.223 ( -3.352 0.000 2.220) 4.020 16.343 ( -3.116 0.000 -5.411) 6.245 16.815 ( 0.944 0.000 0.064) 0.946 16.842 ( -0.592 0.000 0.799) 0.994 17.184 ( 3.799 0.000 -4.321) 5.754 17.295 ( -7.676 0.000 2.960) 8.227 17.870 ( 6.059 0.000 5.958) 8.498 18.170 ( -9.120 0.000 6.360) 11.119 18.511 ( 0.770 0.000 7.004) 7.046 18.847 ( -10.653 0.000 1.776) 10.800 19.652 ( -1.739 0.000 10.562) 10.704 19.840 ( 5.126 0.000 -13.133) 14.098 20.145 ( 2.661 0.000 4.544) 5.266 20.551 ( -6.143 0.000 -21.876) 22.722 21.551 ( 9.449 0.000 -1.691) 9.600 21.751 ( 6.905 0.000 8.408) 10.880 21.833 ( -3.403 0.000 1.849) 3.873 21.862 ( -7.196 0.000 -2.818) 7.729 22.749 ( 0.166 0.000 -0.062) 0.178 22.934 ( 2.776 0.000 -6.103) 6.705 22.940 ( 3.874 0.000 5.352) 6.607 23.357 ( -8.861 0.000 -5.783) 10.581 ======================= Grid point 121 (54/70) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -13.314 0.000 -7.654) 15.357 0.920 ( 13.314 0.000 7.654) 15.357 1.335 ( 21.257 0.000 -7.351) 22.492 1.335 ( -21.257 0.000 7.351) 22.492 1.515 ( 8.336 0.000 -22.094) 23.614 1.515 ( -8.336 0.000 22.094) 23.614 2.159 ( -7.055 0.000 2.324) 7.428 2.159 ( 7.055 0.000 -2.324) 7.428 2.203 ( 1.345 0.000 -5.341) 5.508 2.203 ( -1.345 0.000 5.341) 5.508 2.235 ( -2.795 0.000 -1.485) 3.165 2.235 ( 2.795 0.000 1.485) 3.165 2.508 ( 3.801 0.000 -3.754) 5.342 2.508 ( -3.801 0.000 3.754) 5.342 2.732 ( 3.935 0.000 -3.531) 5.286 2.732 ( -3.935 0.000 3.531) 5.286 2.848 ( 6.238 0.000 -4.547) 7.719 2.848 ( -6.238 0.000 4.547) 7.719 3.017 ( 2.664 0.000 -4.030) 4.831 3.017 ( -2.664 0.000 4.030) 4.831 3.121 ( -0.203 0.000 -6.791) 6.794 3.121 ( 0.203 0.000 6.791) 6.794 3.398 ( 1.333 0.000 -0.725) 1.517 3.398 ( -1.333 0.000 0.725) 1.517 3.493 ( 0.563 0.000 -1.070) 1.209 3.493 ( -0.563 0.000 1.070) 1.209 3.579 ( -2.359 0.000 -1.883) 3.018 3.579 ( 2.359 0.000 1.883) 3.018 3.613 ( 2.287 0.000 -3.077) 3.834 3.613 ( -2.287 0.000 3.077) 3.834 3.653 ( -0.182 0.000 -1.306) 1.319 3.653 ( 0.182 0.000 1.306) 1.319 3.817 ( 8.246 0.000 -11.406) 14.075 3.817 ( -8.246 0.000 11.406) 14.075 3.941 ( 2.344 0.000 -2.214) 3.224 3.941 ( -2.344 0.000 2.214) 3.224 4.111 ( -0.091 0.000 -0.828) 0.833 4.111 ( 0.091 0.000 0.828) 0.833 4.171 ( -1.346 0.000 -3.662) 3.902 4.171 ( 1.346 0.000 3.662) 3.902 4.264 ( 4.068 0.000 -2.153) 4.603 4.264 ( -4.068 0.000 2.153) 4.603 4.359 ( 2.241 0.000 -3.381) 4.056 4.359 ( -2.241 0.000 3.381) 4.056 4.385 ( 0.907 0.000 -1.346) 1.622 4.385 ( -0.907 0.000 1.346) 1.622 4.492 ( -1.898 0.000 -3.310) 3.816 4.492 ( 1.898 0.000 3.310) 3.816 4.690 ( -2.321 0.000 -0.499) 2.374 4.690 ( 2.321 0.000 0.499) 2.374 4.791 ( 0.383 0.000 -0.655) 0.759 4.791 ( -0.383 0.000 0.655) 0.759 4.873 ( 1.316 0.000 -3.393) 3.639 4.873 ( -1.316 0.000 3.393) 3.639 5.068 ( 1.470 0.000 -2.235) 2.675 5.068 ( -1.470 0.000 2.235) 2.675 5.371 ( 1.957 0.000 -1.414) 2.414 5.371 ( -1.957 0.000 1.414) 2.414 5.429 ( 3.897 0.000 -1.693) 4.249 5.429 ( -3.897 0.000 1.693) 4.249 5.520 ( 3.085 0.000 -3.706) 4.822 5.520 ( -3.085 0.000 3.706) 4.822 5.749 ( 3.263 0.000 -2.472) 4.093 5.749 ( -3.263 0.000 2.472) 4.093 5.842 ( -3.100 0.000 0.940) 3.240 5.842 ( 3.100 0.000 -0.940) 3.240 6.181 ( -0.034 0.000 -8.579) 8.579 6.181 ( 0.034 0.000 8.579) 8.579 6.218 ( 2.991 0.000 -2.231) 3.732 6.218 ( -2.991 0.000 2.231) 3.732 6.454 ( 0.900 0.000 -0.423) 0.994 6.454 ( -0.900 0.000 0.423) 0.994 6.594 ( 3.406 0.000 -6.148) 7.029 6.594 ( -3.406 0.000 6.148) 7.029 6.977 ( 4.279 0.000 -6.551) 7.824 6.977 ( -4.279 0.000 6.551) 7.824 7.050 ( 3.494 0.000 -3.307) 4.811 7.050 ( -3.494 0.000 3.307) 4.811 7.393 ( 5.929 0.000 -5.682) 8.212 7.393 ( -5.929 0.000 5.682) 8.212 7.589 ( 1.910 0.000 -0.782) 2.064 7.589 ( -1.910 0.000 0.782) 2.064 7.668 ( 1.398 0.000 -2.575) 2.930 7.668 ( -1.398 0.000 2.575) 2.930 8.420 ( 2.976 0.000 -2.137) 3.664 8.420 ( -2.976 0.000 2.137) 3.664 8.890 ( 7.932 0.000 -11.731) 14.161 8.890 ( -7.932 0.000 11.731) 14.161 9.512 ( -0.978 0.000 -0.209) 1.000 9.512 ( 0.978 0.000 0.209) 1.000 9.688 ( 1.978 0.000 -4.858) 5.245 9.688 ( -1.978 0.000 4.858) 5.245 9.837 ( -0.153 0.000 -5.912) 5.914 9.837 ( 0.153 0.000 5.912) 5.914 10.011 ( 0.835 0.000 -2.107) 2.266 10.011 ( -0.835 0.000 2.107) 2.266 10.659 ( 6.639 0.000 -7.592) 10.085 10.659 ( -6.639 0.000 7.592) 10.085 10.871 ( 1.386 0.000 -3.050) 3.350 10.871 ( -1.386 0.000 3.050) 3.350 11.711 ( 3.027 0.000 -15.781) 16.069 11.711 ( -3.027 0.000 15.781) 16.069 11.836 ( 0.864 0.000 -5.304) 5.374 11.836 ( -0.864 0.000 5.304) 5.374 12.323 ( 3.197 0.000 -2.315) 3.947 12.323 ( -3.197 0.000 2.315) 3.947 12.566 ( 5.734 0.000 -5.848) 8.190 12.566 ( -5.734 0.000 5.848) 8.190 12.712 ( 0.952 0.000 -1.803) 2.039 12.712 ( -0.952 0.000 1.803) 2.039 13.225 ( -6.962 0.000 1.253) 7.073 13.225 ( 6.962 0.000 -1.253) 7.073 13.671 ( 3.313 0.000 -3.233) 4.629 13.671 ( -3.313 0.000 3.233) 4.629 14.109 ( 1.092 0.000 -2.159) 2.419 14.109 ( -1.092 0.000 2.159) 2.419 14.377 ( 3.127 0.000 -9.987) 10.465 14.377 ( -3.127 0.000 9.987) 10.465 14.686 ( -1.725 0.000 -12.701) 12.818 14.686 ( 1.725 0.000 12.701) 12.818 15.771 ( -1.631 0.000 -5.671) 5.901 15.771 ( 1.631 0.000 5.671) 5.901 16.245 ( -0.550 0.000 -5.486) 5.513 16.245 ( 0.550 0.000 5.486) 5.513 16.833 ( -0.928 0.000 -0.138) 0.938 16.833 ( 0.928 0.000 0.138) 0.938 17.218 ( 6.279 0.000 -4.317) 7.620 17.218 ( -6.279 0.000 4.317) 7.620 18.053 ( -11.179 0.000 1.900) 11.339 18.053 ( 11.179 0.000 -1.900) 11.339 18.654 ( -6.002 0.000 -8.507) 10.411 18.654 ( 6.002 0.000 8.507) 10.411 19.729 ( 4.401 0.000 -15.125) 15.752 19.729 ( -4.401 0.000 15.125) 15.752 20.295 ( -1.862 0.000 -14.105) 14.228 20.295 ( 1.862 0.000 14.105) 14.228 21.699 ( -9.961 0.000 0.415) 9.969 21.699 ( 9.961 0.000 -0.415) 9.969 21.813 ( 2.962 0.000 -3.625) 4.682 21.813 ( -2.962 0.000 3.625) 4.682 22.870 ( 0.299 0.000 -10.670) 10.674 22.870 ( -0.299 0.000 10.670) 10.674 23.128 ( -9.181 0.000 -7.495) 11.851 23.128 ( 9.181 0.000 7.495) 11.851 ======================= Grid point 125 (55/70) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 4.165 14.386 -13.761) 20.339 0.938 ( -4.165 14.386 13.761) 20.339 1.137 ( -0.126 14.859 -20.605) 25.404 1.137 ( 0.126 14.859 20.605) 25.404 1.770 ( 8.694 18.376 -16.116) 25.942 1.770 ( -8.694 18.376 16.116) 25.942 2.189 ( 9.773 1.283 -7.121) 12.160 2.189 ( -9.773 1.283 7.121) 12.160 2.273 ( 3.108 1.044 -5.195) 6.143 2.273 ( -3.108 1.044 5.195) 6.143 2.371 ( -1.447 -1.540 -1.792) 2.771 2.371 ( 1.447 -1.540 1.792) 2.771 2.521 ( 2.339 2.513 -4.259) 5.470 2.521 ( -2.339 2.513 4.259) 5.470 2.675 ( 2.180 -0.938 -7.357) 7.731 2.675 ( -2.180 -0.938 7.357) 7.731 2.933 ( -1.633 2.477 -2.781) 4.067 2.933 ( 1.633 2.477 2.781) 4.067 2.974 ( 0.402 0.070 -2.339) 2.374 2.974 ( -0.402 0.070 2.339) 2.374 3.212 ( -3.539 0.031 -0.639) 3.597 3.212 ( 3.539 0.031 0.639) 3.597 3.367 ( -1.376 2.353 -3.164) 4.176 3.367 ( 1.376 2.353 3.164) 4.176 3.405 ( -0.509 -1.992 -4.385) 4.843 3.405 ( 0.509 -1.992 4.385) 4.843 3.514 ( 0.178 4.567 -1.222) 4.731 3.514 ( -0.178 4.567 1.222) 4.731 3.684 ( 1.175 -1.486 -1.483) 2.406 3.684 ( -1.175 -1.486 1.483) 2.406 3.753 ( 0.028 -1.845 -6.931) 7.172 3.753 ( -0.028 -1.845 6.931) 7.172 3.886 ( 4.328 0.695 -4.365) 6.186 3.886 ( -4.328 0.695 4.365) 6.186 3.965 ( -0.496 -6.674 -3.713) 7.654 3.965 ( 0.496 -6.674 3.713) 7.654 4.103 ( 1.846 -2.643 -2.789) 4.263 4.103 ( -1.846 -2.643 2.789) 4.263 4.172 ( -4.006 -0.610 -3.113) 5.110 4.172 ( 4.006 -0.610 3.113) 5.110 4.274 ( -1.953 -1.510 -1.876) 3.101 4.274 ( 1.953 -1.510 1.876) 3.101 4.366 ( 2.524 -1.540 -4.822) 5.656 4.366 ( -2.524 -1.540 4.822) 5.656 4.403 ( 0.337 -0.438 -1.792) 1.875 4.403 ( -0.337 -0.438 1.792) 1.875 4.550 ( -2.923 -2.082 -4.116) 5.461 4.550 ( 2.923 -2.082 4.116) 5.461 4.639 ( 0.537 1.589 -1.014) 1.960 4.639 ( -0.537 1.589 1.014) 1.960 4.772 ( -1.540 0.883 -0.546) 1.858 4.772 ( 1.540 0.883 0.546) 1.858 4.802 ( -1.405 1.872 -1.456) 2.757 4.802 ( 1.405 1.872 1.456) 2.757 5.126 ( 5.457 -1.279 -8.344) 10.051 5.126 ( -5.457 -1.279 8.344) 10.051 5.269 ( 0.273 -0.597 -1.778) 1.895 5.269 ( -0.273 -0.597 1.778) 1.895 5.404 ( 1.946 -0.205 -3.461) 3.976 5.404 ( -1.946 -0.205 3.461) 3.976 5.507 ( 0.384 4.449 -3.166) 5.474 5.507 ( -0.384 4.449 3.166) 5.474 5.696 ( 0.654 -1.883 -3.639) 4.149 5.696 ( -0.654 -1.883 3.639) 4.149 5.874 ( -0.777 0.801 -0.748) 1.343 5.874 ( 0.777 0.801 0.748) 1.343 6.157 ( 2.778 2.348 -4.218) 5.570 6.157 ( -2.778 2.348 4.218) 5.570 6.207 ( -2.920 -0.690 0.599) 3.059 6.207 ( 2.920 -0.690 -0.599) 3.059 6.437 ( 0.535 0.567 -1.852) 2.009 6.437 ( -0.535 0.567 1.852) 2.009 6.676 ( 3.599 0.673 -4.382) 5.710 6.676 ( -3.599 0.673 4.382) 5.710 7.018 ( 3.194 2.913 -5.139) 6.716 7.018 ( -3.194 2.913 5.139) 6.716 7.055 ( 3.876 0.200 -6.358) 7.449 7.055 ( -3.876 0.200 6.358) 7.449 7.394 ( -0.370 -1.514 -7.036) 7.206 7.394 ( 0.370 -1.514 7.036) 7.206 7.511 ( 0.219 2.940 -2.807) 4.071 7.511 ( -0.219 2.940 2.807) 4.071 7.823 ( 3.738 11.127 -5.082) 12.791 7.823 ( -3.738 11.127 5.082) 12.791 8.555 ( 1.210 10.013 -4.229) 10.936 8.555 ( -1.210 10.013 4.229) 10.936 8.976 ( 8.029 7.833 -11.707) 16.214 8.976 ( -8.029 7.833 11.707) 16.214 9.589 ( 1.130 7.097 -4.214) 8.331 9.589 ( -1.130 7.097 4.214) 8.331 9.740 ( 1.431 2.203 -4.203) 4.957 9.740 ( -1.431 2.203 4.203) 4.957 9.876 ( 3.247 3.538 -2.897) 5.608 9.876 ( -3.247 3.538 2.897) 5.608 10.001 ( 0.545 3.328 -1.456) 3.673 10.001 ( -0.545 3.328 1.456) 3.673 10.789 ( 0.625 1.895 -4.390) 4.823 10.789 ( -0.625 1.895 4.390) 4.823 11.015 ( -0.845 -0.242 -2.728) 2.866 11.015 ( 0.845 -0.242 2.728) 2.866 11.507 ( 8.954 -0.479 -9.944) 13.390 11.507 ( -8.954 -0.479 9.944) 13.390 11.888 ( 3.771 0.690 -4.177) 5.670 11.888 ( -3.771 0.690 4.177) 5.670 12.326 ( -1.286 0.465 -1.242) 1.847 12.326 ( 1.286 0.465 1.242) 1.847 12.540 ( 2.735 -3.563 -6.968) 8.291 12.540 ( -2.735 -3.563 6.968) 8.291 12.715 ( 0.384 1.397 -0.425) 1.510 12.715 ( -0.384 1.397 0.425) 1.510 13.360 ( -1.600 -1.692 -8.295) 8.616 13.360 ( 1.600 -1.692 8.295) 8.616 13.516 ( 0.192 -1.429 -9.381) 9.491 13.516 ( -0.192 -1.429 9.381) 9.491 14.105 ( -0.724 -1.125 -1.399) 1.936 14.105 ( 0.724 -1.125 1.399) 1.936 14.473 ( 3.185 1.195 -4.557) 5.687 14.473 ( -3.185 1.195 4.557) 5.687 14.855 ( -8.324 2.928 -0.097) 8.824 14.855 ( 8.324 2.928 0.097) 8.824 15.705 ( -1.715 7.510 -9.656) 12.352 15.705 ( 1.715 7.510 9.656) 12.352 16.323 ( -2.676 -4.975 -0.046) 5.649 16.323 ( 2.676 -4.975 0.046) 5.649 16.863 ( 0.143 2.960 -2.115) 3.641 16.863 ( -0.143 2.960 2.115) 3.641 17.410 ( 9.268 11.759 -7.202) 16.614 17.410 ( -9.268 11.759 7.202) 16.614 18.179 ( -2.237 0.735 -6.230) 6.660 18.179 ( 2.237 0.735 6.230) 6.660 18.608 ( -23.754 0.186 -0.264) 23.756 18.608 ( 23.754 0.186 0.264) 23.756 19.476 ( -0.736 4.659 -6.589) 8.104 19.476 ( 0.736 4.659 6.589) 8.104 20.262 ( -10.500 -7.207 -5.723) 13.963 20.262 ( 10.500 -7.207 5.723) 13.963 21.301 ( -3.461 -1.967 -2.167) 4.532 21.301 ( 3.461 -1.967 2.167) 4.532 21.921 ( -1.406 -1.028 -1.594) 2.361 21.921 ( 1.406 -1.028 1.594) 2.361 22.847 ( 2.889 -3.873 -1.810) 5.160 22.847 ( -2.889 -3.873 1.810) 5.160 23.362 ( -7.167 -15.067 -5.198) 17.476 23.362 ( 7.167 -15.067 5.198) 17.476 ======================= Grid point 127 (56/70) ======================= q-point: ( 0.17 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 7.552 15.628 -15.877) 23.523 0.984 ( 7.554 13.526 -15.158) 21.675 1.069 ( 4.799 8.693 7.691) 12.560 1.387 ( 0.780 10.484 17.437) 20.361 1.718 ( -1.861 17.970 -3.683) 18.438 1.745 ( 10.262 20.913 -16.869) 28.762 2.121 ( -6.556 0.790 4.894) 8.219 2.211 ( -4.869 -2.560 -0.503) 5.524 2.244 ( 2.091 2.707 -0.854) 3.526 2.291 ( -0.875 1.140 0.759) 1.625 2.352 ( -3.349 1.939 1.091) 4.021 2.420 ( 0.026 1.395 4.803) 5.002 2.498 ( 2.836 -0.115 -5.894) 6.542 2.535 ( 0.070 2.978 2.290) 3.758 2.664 ( 2.243 -1.068 -1.225) 2.769 2.716 ( -1.242 -0.379 5.616) 5.764 2.888 ( -2.035 0.012 1.007) 2.270 2.946 ( -3.605 2.032 2.924) 5.067 2.981 ( 0.237 2.126 1.962) 2.903 3.027 ( 0.077 2.155 4.549) 5.035 3.136 ( -1.687 -2.854 -3.312) 4.686 3.286 ( 2.945 0.334 -0.657) 3.036 3.342 ( 0.725 0.022 -3.508) 3.582 3.350 ( 1.519 3.968 -1.657) 4.560 3.425 ( -0.780 -0.130 2.458) 2.582 3.468 ( 1.558 1.276 2.887) 3.520 3.521 ( 3.197 -0.775 2.054) 3.878 3.563 ( 2.197 3.804 -0.514) 4.423 3.573 ( -4.983 -2.149 -0.859) 5.494 3.680 ( -2.791 2.349 -0.179) 3.653 3.689 ( 1.117 -2.723 -6.237) 6.897 3.760 ( -6.125 -0.652 -2.092) 6.506 3.829 ( -0.675 -3.527 -2.469) 4.358 3.879 ( 1.798 0.731 -4.964) 5.330 3.929 ( -2.480 -3.813 1.771) 4.881 3.988 ( -2.567 -1.811 2.943) 4.305 4.077 ( -1.139 0.124 -1.646) 2.006 4.106 ( 0.174 0.885 0.380) 0.979 4.129 ( 1.800 -4.296 1.853) 5.013 4.217 ( -1.573 -1.905 2.828) 3.755 4.250 ( -2.951 -0.450 -2.410) 3.837 4.279 ( 2.047 -3.435 -0.570) 4.040 4.338 ( 1.236 -1.185 -1.330) 2.168 4.381 ( -1.816 -0.340 -0.382) 1.887 4.390 ( -0.867 -1.247 1.443) 2.095 4.466 ( -1.510 -0.475 0.268) 1.605 4.491 ( 3.135 0.793 2.232) 3.930 4.598 ( -1.186 -3.548 -1.200) 3.929 4.648 ( -0.249 2.234 0.139) 2.252 4.676 ( 0.666 1.575 2.881) 3.350 4.711 ( 0.547 1.478 -1.139) 1.944 4.777 ( 0.413 -1.086 -0.700) 1.357 4.797 ( 0.985 -0.679 -0.336) 1.242 4.824 ( -0.105 1.669 -0.160) 1.680 5.090 ( -3.371 0.571 0.483) 3.453 5.105 ( -0.322 -3.476 -3.237) 4.761 5.262 ( 0.696 -0.319 -0.244) 0.804 5.287 ( 1.545 -1.926 0.437) 2.508 5.415 ( 2.111 -0.445 -0.818) 2.308 5.435 ( 1.021 -0.096 2.362) 2.575 5.486 ( 1.025 4.783 -2.601) 5.540 5.536 ( -0.804 3.537 2.974) 4.691 5.683 ( 1.347 -2.301 -0.989) 2.843 5.741 ( 0.825 -1.099 2.292) 2.672 5.852 ( -1.335 0.840 -0.069) 1.579 5.890 ( -0.836 1.175 1.715) 2.241 6.121 ( -3.979 0.954 2.859) 4.991 6.164 ( 1.812 -0.757 -2.206) 2.953 6.214 ( 0.494 3.858 2.782) 4.781 6.251 ( 2.798 -3.722 -1.847) 5.009 6.420 ( -0.293 0.453 -1.285) 1.394 6.438 ( -2.064 0.502 1.995) 2.914 6.660 ( -3.158 0.452 2.980) 4.365 6.683 ( 2.610 2.049 -3.549) 4.858 7.017 ( 2.587 0.635 -4.432) 5.171 7.034 ( -2.408 4.263 5.594) 7.434 7.037 ( 2.405 -0.435 -5.503) 6.021 7.068 ( -1.776 1.054 4.367) 4.831 7.328 ( 2.796 -0.410 -6.392) 6.989 7.444 ( -4.331 1.347 5.175) 6.882 7.507 ( 4.097 2.353 -0.705) 4.777 7.562 ( 2.094 0.851 0.885) 2.427 7.802 ( -4.034 11.783 3.077) 12.829 7.818 ( 0.426 10.144 -2.506) 10.458 8.532 ( 1.698 9.787 -3.904) 10.673 8.576 ( -2.432 9.908 4.435) 11.124 8.970 ( -0.929 7.602 1.180) 7.749 8.985 ( 1.040 8.357 -0.931) 8.473 9.560 ( 0.579 6.218 -2.458) 6.711 9.600 ( -2.492 5.960 3.132) 7.179 9.721 ( 2.488 1.432 -4.927) 5.702 9.745 ( -2.275 2.866 2.238) 4.289 9.849 ( -3.097 4.172 4.467) 6.852 9.954 ( 3.170 3.981 0.751) 5.144 10.001 ( 1.289 3.090 -0.669) 3.415 10.024 ( 0.961 4.252 2.323) 4.939 10.734 ( -0.238 0.607 -5.838) 5.874 10.809 ( -2.923 2.073 3.816) 5.235 10.936 ( -4.102 2.888 -0.222) 5.022 10.988 ( -4.189 -0.672 -2.210) 4.784 11.516 ( -2.948 0.062 9.741) 10.178 11.624 ( 10.635 -4.860 -4.662) 12.587 11.844 ( -3.878 0.737 3.569) 5.321 11.959 ( 4.656 -1.402 -2.578) 5.504 12.301 ( -1.172 -0.698 0.588) 1.486 12.373 ( 0.183 -0.099 3.150) 3.157 12.524 ( 3.858 -2.097 -4.483) 6.275 12.565 ( -2.709 -4.203 4.331) 6.615 12.703 ( -1.006 0.514 1.251) 1.686 12.756 ( 1.709 2.104 1.443) 3.070 13.183 ( -3.755 -1.521 -11.193) 11.904 13.371 ( -3.894 0.378 1.321) 4.129 13.527 ( 2.250 -2.558 4.998) 6.048 13.633 ( 1.519 -0.389 6.813) 6.991 14.074 ( -1.035 -2.703 0.764) 2.994 14.144 ( 1.818 1.383 0.467) 2.332 14.412 ( -6.921 2.982 0.011) 7.536 14.464 ( -0.536 2.830 -4.153) 5.054 14.631 ( -5.948 8.661 -3.379) 11.037 14.941 ( 4.492 2.863 -7.565) 9.253 15.609 ( 2.632 6.296 -3.828) 7.824 15.875 ( 6.258 6.016 1.555) 8.819 16.256 ( -4.626 -2.742 0.816) 5.440 16.349 ( 1.452 -4.307 -2.563) 5.218 16.848 ( 0.423 3.214 -0.928) 3.372 16.886 ( 0.139 3.025 1.384) 3.330 17.325 ( -6.573 12.138 4.118) 14.404 17.503 ( 10.120 11.176 -10.429) 18.333 17.910 ( -19.561 5.906 4.890) 21.010 18.200 ( -4.634 -2.444 3.397) 6.244 18.424 ( -5.754 -1.665 8.226) 10.176 18.894 ( -1.025 -2.292 8.440) 8.806 19.456 ( 3.324 -2.706 6.032) 7.400 19.754 ( 14.584 2.176 0.759) 14.765 20.103 ( -3.446 -4.172 -3.056) 6.214 20.541 ( 8.681 -15.822 2.545) 18.225 21.319 ( 11.733 -1.181 1.491) 11.886 21.407 ( 7.624 -2.006 0.451) 7.896 21.869 ( -2.949 -0.949 -0.727) 3.182 21.935 ( -1.674 -1.137 0.428) 2.068 22.828 ( -1.729 -3.711 2.977) 5.063 22.881 ( 3.176 -4.266 -2.656) 5.944 23.023 ( -15.163 -9.096 -16.726) 24.340 23.399 ( -3.613 -11.188 -0.839) 11.787 ======================= Grid point 128 (57/70) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 10.047 14.299 -10.195) 20.233 1.047 ( 16.717 7.212 -11.125) 21.336 1.208 ( 4.342 1.861 -4.296) 6.385 1.417 ( -12.344 5.705 10.224) 17.013 1.658 ( -6.038 14.062 8.019) 17.277 1.801 ( 13.520 21.983 -17.004) 30.906 2.110 ( 0.008 1.592 6.196) 6.397 2.186 ( 1.486 1.821 1.390) 2.730 2.240 ( -3.555 2.349 3.038) 5.233 2.248 ( -0.377 1.769 -3.824) 4.230 2.288 ( -0.851 3.534 -2.975) 4.697 2.438 ( -2.878 4.721 0.000) 5.529 2.509 ( 2.714 0.763 -1.461) 3.175 2.531 ( -3.145 2.578 3.450) 5.333 2.699 ( 2.081 -0.906 0.329) 2.294 2.759 ( 1.324 0.205 -1.106) 1.737 2.883 ( -4.792 2.525 3.249) 6.317 2.895 ( -2.851 2.097 3.254) 4.808 2.995 ( -1.686 -0.576 1.771) 2.512 3.058 ( -1.212 3.284 1.917) 3.991 3.089 ( 0.446 -0.162 -2.285) 2.334 3.236 ( -1.732 0.711 -5.376) 5.692 3.349 ( 2.443 -1.377 -0.750) 2.903 3.407 ( 0.120 1.877 0.208) 1.893 3.420 ( 1.570 -1.884 2.977) 3.857 3.509 ( -2.525 1.188 -1.371) 3.109 3.514 ( -0.366 -0.254 3.181) 3.213 3.550 ( 1.554 0.339 0.158) 1.598 3.600 ( 2.141 -2.797 -0.325) 3.538 3.648 ( -3.438 -0.437 1.118) 3.642 3.659 ( -1.042 1.421 -0.901) 1.979 3.696 ( 2.781 0.326 -3.492) 4.476 3.791 ( -1.006 -0.935 -1.042) 1.724 3.830 ( -0.643 -2.044 1.792) 2.793 3.939 ( 0.373 -0.861 -2.702) 2.860 3.970 ( -3.223 2.925 3.273) 5.445 4.084 ( 2.347 0.607 0.312) 2.444 4.122 ( 1.249 0.074 -3.567) 3.780 4.133 ( 1.758 0.687 -0.705) 2.014 4.205 ( 0.382 -3.628 -0.510) 3.683 4.248 ( 0.732 -4.312 5.405) 6.953 4.286 ( -2.492 1.446 -0.696) 2.964 4.326 ( -2.579 -1.704 2.204) 3.796 4.349 ( -0.078 -1.993 -2.425) 3.140 4.380 ( -0.780 -0.683 -0.543) 1.171 4.475 ( -4.446 0.876 -0.759) 4.595 4.494 ( -1.663 3.485 0.170) 3.865 4.525 ( -1.472 -1.779 1.585) 2.801 4.630 ( -0.404 -1.112 2.036) 2.355 4.721 ( 1.621 -0.452 -0.152) 1.689 4.745 ( 1.225 -1.701 -1.546) 2.605 4.769 ( -1.544 -1.783 0.516) 2.415 4.806 ( 1.169 -2.483 -1.653) 3.204 4.828 ( 1.378 -2.332 -0.931) 2.864 5.059 ( -4.465 -0.384 6.866) 8.199 5.078 ( 4.935 -1.316 -7.838) 9.355 5.286 ( 1.574 -1.578 1.082) 2.478 5.328 ( 2.129 -2.800 -0.043) 3.518 5.433 ( 2.020 0.641 -1.842) 2.808 5.473 ( 1.601 1.317 0.601) 2.159 5.493 ( 0.568 1.147 1.112) 1.696 5.530 ( -3.460 2.427 2.048) 4.696 5.714 ( 3.136 -1.086 -0.352) 3.338 5.766 ( -0.403 -0.406 1.685) 1.779 5.834 ( -0.302 1.615 -0.175) 1.652 5.880 ( -2.626 0.546 1.552) 3.099 6.101 ( -3.053 -1.492 4.726) 5.821 6.198 ( 3.915 -0.818 -1.269) 4.196 6.224 ( 0.442 -3.010 -5.936) 6.670 6.253 ( -1.057 0.473 2.847) 3.073 6.407 ( 0.156 1.403 -0.643) 1.551 6.419 ( -1.930 1.328 1.089) 2.583 6.645 ( -2.530 1.364 3.149) 4.264 6.678 ( 1.613 3.112 -3.800) 5.169 7.003 ( 0.014 0.375 -1.183) 1.241 7.014 ( 1.448 -0.608 -3.960) 4.260 7.062 ( -0.243 4.396 2.949) 5.299 7.087 ( -0.176 2.584 1.333) 2.913 7.348 ( 4.936 -1.465 -2.723) 5.824 7.423 ( -3.354 1.777 3.106) 4.904 7.566 ( 3.319 1.987 -0.584) 3.912 7.593 ( 0.232 0.809 1.239) 1.498 7.768 ( -3.882 11.485 3.041) 12.499 7.786 ( -0.410 9.596 -2.732) 9.985 8.526 ( 2.786 9.524 -3.654) 10.575 8.568 ( -4.079 9.667 3.940) 11.208 8.973 ( 0.673 7.896 -0.344) 7.932 8.987 ( -0.472 8.630 0.533) 8.660 9.558 ( 1.419 4.545 -1.092) 4.885 9.588 ( -1.901 4.375 1.530) 5.009 9.705 ( 0.406 2.297 -1.500) 2.773 9.730 ( -0.829 3.028 -0.407) 3.166 9.862 ( -1.594 6.560 4.856) 8.315 9.957 ( -0.535 4.254 -2.365) 4.897 10.029 ( 2.419 2.775 -0.818) 3.771 10.065 ( -1.050 5.766 2.962) 6.567 10.673 ( 3.022 -0.351 -7.346) 7.951 10.765 ( -6.231 1.463 2.141) 6.749 10.895 ( -2.398 4.123 1.832) 5.109 10.910 ( -0.786 1.821 -2.357) 3.081 11.597 ( -2.291 -0.120 11.783) 12.004 11.701 ( 6.832 -4.970 -6.845) 10.873 11.831 ( -2.567 0.144 3.289) 4.174 11.932 ( -0.562 -0.455 -7.439) 7.474 12.295 ( -0.726 -1.334 1.001) 1.819 12.356 ( -2.427 -1.768 -1.997) 3.606 12.536 ( 3.821 -2.159 -5.345) 6.916 12.564 ( -3.648 -2.606 5.408) 7.025 12.708 ( -0.013 0.524 1.035) 1.160 12.751 ( -1.128 2.124 -1.736) 2.966 13.135 ( 5.509 1.538 -0.759) 5.770 13.325 ( -4.505 1.137 1.776) 4.975 13.598 ( -0.502 -4.274 5.141) 6.704 13.681 ( -0.461 0.083 -0.147) 0.490 14.126 ( 0.762 -2.077 6.616) 6.976 14.169 ( 1.066 2.797 -0.542) 3.042 14.315 ( -1.932 7.659 1.773) 8.095 14.414 ( -0.316 1.165 -3.327) 3.539 14.620 ( 3.183 5.966 1.258) 6.878 14.872 ( -0.682 3.740 -9.186) 9.941 15.677 ( 7.291 3.598 -0.469) 8.144 15.907 ( -2.094 4.260 -1.690) 5.039 16.220 ( -2.527 0.862 4.058) 4.858 16.316 ( 0.283 -1.000 -5.376) 5.476 16.857 ( 1.062 3.380 0.233) 3.551 16.893 ( -0.467 3.476 0.383) 3.528 17.292 ( -1.999 10.982 2.827) 11.515 17.436 ( -3.836 12.037 -6.553) 14.232 17.861 ( 3.727 -0.695 5.105) 6.359 18.132 ( -7.466 -3.755 2.423) 8.701 18.490 ( 0.476 -0.540 10.182) 10.207 18.841 ( -9.217 -0.996 0.640) 9.293 19.599 ( 1.947 -3.672 8.723) 9.662 19.845 ( 2.083 -0.287 -8.726) 8.976 20.087 ( 1.658 -5.500 3.800) 6.888 20.427 ( -3.402 -11.118 -17.754) 21.223 21.524 ( 9.780 -2.651 -1.373) 10.225 21.651 ( 9.528 -7.285 5.851) 13.345 21.816 ( -3.741 -1.181 1.030) 4.056 21.858 ( -6.182 -0.376 -1.812) 6.453 22.738 ( -0.639 -1.131 -0.798) 1.524 22.880 ( 2.209 -4.711 -3.939) 6.526 22.905 ( 3.764 -3.392 3.076) 5.927 23.271 ( -8.023 -7.703 -3.932) 11.797 ======================= Grid point 129 (58/70) ======================= q-point: (-0.50 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -10.214 8.483 -4.453) 14.004 1.004 ( 10.214 8.483 4.453) 14.004 1.291 ( 18.318 1.485 -10.776) 21.304 1.291 ( -18.318 1.485 10.776) 21.304 1.731 ( 0.522 14.588 -13.205) 19.684 1.731 ( -0.522 14.588 13.205) 19.684 2.184 ( 0.596 0.222 -5.202) 5.241 2.184 ( -0.596 0.222 5.202) 5.241 2.241 ( 2.845 3.742 -5.019) 6.876 2.241 ( -2.845 3.742 5.019) 6.876 2.335 ( -6.785 7.999 -3.188) 10.963 2.335 ( 6.785 7.999 3.188) 10.963 2.528 ( 3.834 2.394 -4.499) 6.377 2.528 ( -3.834 2.394 4.499) 6.377 2.734 ( -0.332 1.768 -1.894) 2.613 2.734 ( 0.332 1.768 1.894) 2.613 2.868 ( 2.992 2.546 -1.726) 4.291 2.868 ( -2.992 2.546 1.726) 4.291 3.006 ( 1.169 -0.899 -5.203) 5.408 3.006 ( -1.169 -0.899 5.203) 5.408 3.147 ( -0.464 1.652 -5.682) 5.936 3.147 ( 0.464 1.652 5.682) 5.936 3.386 ( -1.227 -1.065 -0.997) 1.906 3.386 ( 1.227 -1.065 0.997) 1.906 3.482 ( 0.860 -0.696 -3.258) 3.441 3.482 ( -0.860 -0.696 3.258) 3.441 3.563 ( -1.288 -1.222 -3.861) 4.249 3.563 ( 1.288 -1.222 3.861) 4.249 3.596 ( -1.350 -0.340 -2.072) 2.496 3.596 ( 1.350 -0.340 2.072) 2.496 3.666 ( 1.318 -0.384 -4.287) 4.501 3.666 ( -1.318 -0.384 4.287) 4.501 3.825 ( 5.134 0.703 -10.475) 11.687 3.825 ( -5.134 0.703 10.475) 11.687 3.930 ( 2.104 -0.055 -2.515) 3.280 3.930 ( -2.104 -0.055 2.515) 3.280 4.137 ( -0.987 -0.200 -1.729) 2.001 4.137 ( 0.987 -0.200 1.729) 2.001 4.168 ( -0.056 1.027 -1.677) 1.967 4.168 ( 0.056 1.027 1.677) 1.967 4.275 ( 0.927 0.555 -0.620) 1.246 4.275 ( -0.927 0.555 0.620) 1.246 4.323 ( -0.524 -2.738 -3.633) 4.579 4.323 ( 0.524 -2.738 3.633) 4.579 4.373 ( -1.933 -0.758 -1.825) 2.765 4.373 ( 1.933 -0.758 1.825) 2.765 4.512 ( -1.149 0.183 -1.639) 2.010 4.512 ( 1.149 0.183 1.639) 2.010 4.688 ( -1.991 -0.338 -3.597) 4.126 4.688 ( 1.991 -0.338 3.597) 4.126 4.750 ( 2.502 -2.186 -2.275) 4.027 4.750 ( -2.502 -2.186 2.275) 4.027 4.817 ( -0.367 -4.455 -0.352) 4.484 4.817 ( 0.367 -4.455 0.352) 4.484 5.075 ( 4.593 -0.076 -7.470) 8.769 5.075 ( -4.593 -0.076 7.470) 8.769 5.326 ( -0.878 -2.522 -1.613) 3.120 5.326 ( 0.878 -2.522 1.613) 3.120 5.472 ( 2.995 0.195 -3.908) 4.928 5.472 ( -2.995 0.195 3.908) 4.928 5.502 ( 0.726 1.668 -1.833) 2.582 5.502 ( -0.726 1.668 1.833) 2.582 5.759 ( 1.831 -0.374 -2.457) 3.087 5.759 ( -1.831 -0.374 2.457) 3.087 5.847 ( 1.805 0.966 -2.946) 3.587 5.847 ( -1.805 0.966 2.946) 3.587 6.140 ( 1.156 -3.109 -8.094) 8.748 6.140 ( -1.156 -3.109 8.094) 8.748 6.247 ( 3.196 -0.444 -4.494) 5.532 6.247 ( -3.196 -0.444 4.494) 5.532 6.407 ( 0.886 2.087 -1.123) 2.530 6.407 ( -0.886 2.087 1.123) 2.530 6.655 ( 1.914 2.622 -4.816) 5.808 6.655 ( -1.914 2.622 4.816) 5.808 7.000 ( 1.700 0.081 -2.908) 3.370 7.000 ( -1.700 0.081 2.908) 3.370 7.085 ( 0.947 3.845 -2.261) 4.560 7.085 ( -0.947 3.845 2.261) 4.560 7.397 ( 3.567 -0.491 -4.604) 5.845 7.397 ( -3.567 -0.491 4.604) 5.845 7.597 ( 1.899 1.641 -1.708) 3.036 7.597 ( -1.899 1.641 1.708) 3.036 7.757 ( 2.425 10.264 -4.374) 11.418 7.757 ( -2.425 10.264 4.374) 11.418 8.542 ( 3.978 9.496 -4.029) 11.056 8.542 ( -3.978 9.496 4.029) 11.056 8.982 ( 7.717 8.389 -11.286) 16.041 8.982 ( -7.717 8.389 11.286) 16.041 9.573 ( 1.387 3.740 -1.248) 4.179 9.573 ( -1.387 3.740 1.248) 4.179 9.710 ( 3.040 3.161 -4.773) 6.482 9.710 ( -3.040 3.161 4.773) 6.482 9.906 ( 0.066 6.579 -5.098) 8.323 9.906 ( -0.066 6.579 5.098) 8.323 10.056 ( 2.189 4.277 -1.511) 5.037 10.056 ( -2.189 4.277 1.511) 5.037 10.689 ( 6.251 0.424 -6.724) 9.191 10.689 ( -6.251 0.424 6.724) 9.191 10.891 ( 1.360 3.322 -2.673) 4.476 10.891 ( -1.360 3.322 2.673) 4.476 11.687 ( 5.106 -2.078 -13.261) 14.361 11.687 ( -5.106 -2.078 13.261) 14.361 11.845 ( 0.974 0.629 -5.606) 5.724 11.845 ( -0.974 0.629 5.606) 5.724 12.306 ( -0.117 -1.379 -2.165) 2.569 12.306 ( 0.117 -1.379 2.165) 2.569 12.551 ( 4.741 -2.255 -5.172) 7.369 12.551 ( -4.741 -2.255 5.172) 7.369 12.723 ( 0.255 1.188 -1.730) 2.114 12.723 ( -0.255 1.188 1.730) 2.114 13.243 ( -5.930 1.470 -0.841) 6.167 13.243 ( 5.930 1.470 0.841) 6.167 13.646 ( 2.115 -1.949 -5.950) 6.609 13.646 ( -2.115 -1.949 5.950) 6.609 14.168 ( 1.041 2.228 -2.518) 3.520 14.168 ( -1.041 2.228 2.518) 3.520 14.365 ( 1.253 1.446 -6.428) 6.707 14.365 ( -1.253 1.446 6.428) 6.707 14.735 ( -3.508 4.424 -7.937) 9.740 14.735 ( 3.508 4.424 7.937) 9.740 15.805 ( -4.953 2.976 -2.790) 6.416 15.805 ( 4.953 2.976 2.790) 6.416 16.255 ( 1.188 1.663 -6.608) 6.917 16.255 ( -1.188 1.663 6.608) 6.917 16.880 ( -1.011 3.556 -0.412) 3.719 16.880 ( 1.011 3.556 0.412) 3.719 17.327 ( 2.276 10.550 -7.151) 12.946 17.327 ( -2.276 10.550 7.151) 12.946 18.009 ( -0.765 -3.816 -5.758) 6.950 18.009 ( 0.765 -3.816 5.758) 6.950 18.656 ( -5.662 0.287 -9.284) 10.878 18.656 ( 5.662 0.287 9.284) 10.878 19.721 ( 3.142 -0.781 -14.884) 15.232 19.721 ( -3.142 -0.781 14.884) 15.232 20.216 ( -1.837 -7.513 -12.394) 14.609 20.216 ( 1.837 -7.513 12.394) 14.609 21.671 ( -9.328 -3.411 1.306) 10.018 21.671 ( 9.328 -3.411 -1.306) 10.018 21.787 ( 4.411 -1.305 -3.731) 5.923 21.787 ( -4.411 -1.305 3.731) 5.923 22.820 ( -0.211 -4.215 -8.562) 9.546 22.820 ( 0.211 -4.215 8.562) 9.546 23.072 ( -8.471 -5.043 -5.982) 11.531 23.072 ( 8.471 -5.043 5.982) 11.531 ======================= Grid point 133 (59/70) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 3.898 18.006 -7.786) 20.001 1.285 ( -3.898 18.006 7.786) 20.001 1.477 ( -1.414 17.836 -13.657) 22.508 1.477 ( 1.414 17.836 13.657) 22.508 2.087 ( -5.295 5.634 -2.718) 8.196 2.087 ( 5.295 5.634 2.718) 8.196 2.218 ( 7.261 3.558 -5.718) 9.903 2.218 ( -7.261 3.558 5.718) 9.903 2.302 ( 1.988 1.984 -8.575) 9.023 2.302 ( -1.988 1.984 8.575) 9.023 2.494 ( 4.597 13.433 -8.525) 16.561 2.494 ( -4.597 13.433 8.525) 16.561 2.587 ( -1.980 3.882 -2.935) 5.253 2.587 ( 1.980 3.882 2.935) 5.253 2.669 ( -1.539 1.491 -2.339) 3.172 2.669 ( 1.539 1.491 2.339) 3.172 2.940 ( 0.718 -0.197 -1.771) 1.921 2.940 ( -0.718 -0.197 1.771) 1.921 3.012 ( -0.597 2.363 -3.976) 4.663 3.012 ( 0.597 2.363 3.976) 4.663 3.194 ( -5.187 -3.174 -0.815) 6.136 3.194 ( 5.187 -3.174 0.815) 6.136 3.347 ( -0.495 -0.553 -3.473) 3.551 3.347 ( 0.495 -0.553 3.473) 3.551 3.451 ( -0.248 2.822 -3.128) 4.220 3.451 ( 0.248 2.822 3.128) 4.220 3.530 ( -2.282 -7.836 -0.868) 8.207 3.530 ( 2.282 -7.836 0.868) 8.207 3.638 ( -1.126 5.012 -0.481) 5.160 3.638 ( 1.126 5.012 0.481) 5.160 3.732 ( 0.151 -2.094 -3.214) 3.839 3.732 ( -0.151 -2.094 3.214) 3.839 3.814 ( -1.529 -6.014 -6.126) 8.720 3.814 ( 1.529 -6.014 6.126) 8.720 3.969 ( 3.133 2.505 -4.230) 5.829 3.969 ( -3.133 2.505 4.230) 5.829 4.048 ( -0.532 -2.293 -2.795) 3.654 4.048 ( 0.532 -2.293 2.795) 3.654 4.147 ( -2.726 -1.481 -3.578) 4.736 4.147 ( 2.726 -1.481 3.578) 4.736 4.226 ( 0.829 -2.531 -1.776) 3.202 4.226 ( -0.829 -2.531 1.776) 3.202 4.313 ( 2.804 -2.123 -5.640) 6.646 4.313 ( -2.804 -2.123 5.640) 6.646 4.408 ( -2.934 0.769 -0.289) 3.046 4.408 ( 2.934 0.769 0.289) 3.046 4.534 ( -1.274 -0.088 -2.401) 2.719 4.534 ( 1.274 -0.088 2.401) 2.719 4.673 ( -1.031 0.550 -0.233) 1.191 4.673 ( 1.031 0.550 0.233) 1.191 4.757 ( -1.376 -1.740 0.229) 2.230 4.757 ( 1.376 -1.740 -0.229) 2.230 4.838 ( -0.758 1.966 -2.440) 3.224 4.838 ( 0.758 1.966 2.440) 3.224 5.068 ( -2.878 -4.251 -1.783) 5.434 5.068 ( 2.878 -4.251 1.783) 5.434 5.259 ( 5.440 0.634 -5.345) 7.653 5.259 ( -5.440 0.634 5.345) 7.653 5.401 ( 1.778 -1.132 -2.074) 2.957 5.401 ( -1.778 -1.132 2.074) 2.957 5.579 ( 2.403 2.613 -3.024) 4.663 5.579 ( -2.403 2.613 3.024) 4.663 5.687 ( -0.749 1.415 -3.678) 4.011 5.687 ( 0.749 1.415 3.678) 4.011 5.896 ( 0.171 1.136 -0.713) 1.352 5.896 ( -0.171 1.136 0.713) 1.352 6.138 ( -0.160 -1.471 -1.730) 2.277 6.138 ( 0.160 -1.471 1.730) 2.277 6.197 ( 2.337 -1.822 -4.307) 5.228 6.197 ( -2.337 -1.822 4.307) 5.228 6.533 ( 1.956 7.261 -3.409) 8.256 6.533 ( -1.956 7.261 3.409) 8.256 6.678 ( 1.173 -0.480 -2.019) 2.384 6.678 ( -1.173 -0.480 2.019) 2.384 6.999 ( 1.785 -2.667 -2.108) 3.839 6.999 ( -1.785 -2.667 2.108) 3.839 7.101 ( 1.181 2.199 -1.441) 2.883 7.101 ( -1.181 2.199 1.441) 2.883 7.352 ( -2.479 -2.688 -2.130) 4.231 7.352 ( 2.479 -2.688 2.130) 4.231 7.696 ( 1.116 14.480 -1.796) 14.634 7.696 ( -1.116 14.480 1.796) 14.634 8.089 ( 3.328 14.083 -4.792) 15.244 8.089 ( -3.328 14.083 4.792) 15.244 8.756 ( 1.873 9.303 -4.098) 10.336 8.756 ( -1.873 9.303 4.098) 10.336 9.172 ( 8.408 10.196 -11.812) 17.725 9.172 ( -8.408 10.196 11.812) 17.725 9.718 ( 0.614 4.837 -2.372) 5.422 9.718 ( -0.614 4.837 2.372) 5.422 9.798 ( 0.520 2.672 -2.886) 3.967 9.798 ( -0.520 2.672 2.886) 3.967 10.001 ( 0.116 7.387 -4.393) 8.595 10.001 ( -0.116 7.387 4.393) 8.595 10.111 ( 0.233 7.783 -2.406) 8.150 10.111 ( -0.233 7.783 2.406) 8.150 10.753 ( 0.458 -5.252 -5.334) 7.500 10.753 ( -0.458 -5.252 5.334) 7.500 11.059 ( 2.757 3.856 -5.541) 7.292 11.059 ( -2.757 3.856 5.541) 7.292 11.491 ( 6.180 -1.165 -9.118) 11.076 11.491 ( -6.180 -1.165 9.118) 11.076 11.886 ( 1.613 -0.506 -2.301) 2.855 11.886 ( -1.613 -0.506 2.301) 2.855 12.315 ( -0.085 -1.453 -3.119) 3.442 12.315 ( 0.085 -1.453 3.119) 3.442 12.445 ( 3.119 -5.088 -5.619) 8.197 12.445 ( -3.119 -5.088 5.619) 8.197 12.762 ( -0.823 2.897 -2.095) 3.669 12.762 ( 0.823 2.897 2.095) 3.669 13.324 ( -2.577 -1.733 -6.659) 7.348 13.324 ( 2.577 -1.733 6.659) 7.348 13.479 ( 1.356 -1.955 -8.924) 9.236 13.479 ( -1.356 -1.955 8.924) 9.236 14.050 ( -0.293 -3.854 -3.985) 5.551 14.050 ( 0.293 -3.854 3.985) 5.551 14.510 ( 3.140 2.180 -4.371) 5.807 14.510 ( -3.140 2.180 4.371) 5.807 14.971 ( -3.888 6.647 -4.247) 8.795 14.971 ( 3.888 6.647 4.247) 8.795 15.861 ( -0.800 8.097 -7.436) 11.022 15.861 ( 0.800 8.097 7.436) 11.022 16.294 ( 4.313 2.963 -5.131) 7.329 16.294 ( -4.313 2.963 5.131) 7.329 16.915 ( -0.167 1.346 -1.531) 2.045 16.915 ( 0.167 1.346 1.531) 2.045 17.586 ( 7.645 3.568 -9.938) 13.036 17.586 ( -7.645 3.568 9.938) 13.036 18.249 ( 3.602 7.102 -3.403) 8.660 18.249 ( -3.602 7.102 3.403) 8.660 18.616 ( -11.471 0.753 -7.668) 13.819 18.616 ( 11.471 0.753 7.668) 13.819 19.558 ( -3.626 2.272 -5.519) 6.984 19.558 ( 3.626 2.272 5.519) 6.984 20.075 ( -3.591 -10.056 -3.710) 11.304 20.075 ( 3.591 -10.056 3.710) 11.304 21.256 ( -1.483 -2.226 -2.165) 3.441 21.256 ( 1.483 -2.226 2.165) 3.441 21.900 ( -0.865 -0.766 -1.652) 2.015 21.900 ( 0.865 -0.766 1.652) 2.015 22.740 ( 1.049 -6.122 -1.312) 6.349 22.740 ( -1.049 -6.122 1.312) 6.349 23.078 ( -3.624 -11.470 -8.309) 14.620 23.078 ( 3.624 -11.470 8.309) 14.620 ======================= Grid point 135 (60/70) ======================= q-point: ( 0.17 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 4.902 19.661 -10.420) 22.785 1.308 ( 2.940 14.878 -3.601) 15.587 1.342 ( -2.746 19.647 -1.534) 19.898 1.632 ( -3.040 13.005 12.105) 18.025 1.974 ( -3.532 7.967 -2.742) 9.136 2.136 ( -6.451 3.665 4.875) 8.878 2.154 ( 2.022 3.007 -5.247) 6.377 2.240 ( 1.945 4.306 0.651) 4.770 2.314 ( 5.330 7.186 -3.295) 9.534 2.374 ( 1.622 0.885 0.061) 1.849 2.432 ( -9.079 9.707 6.098) 14.623 2.478 ( 0.091 8.642 -0.785) 8.678 2.546 ( 0.085 5.051 -4.722) 6.914 2.588 ( 1.241 0.613 -0.800) 1.599 2.686 ( 1.805 2.893 1.085) 3.579 2.753 ( 5.869 5.643 -0.212) 8.145 2.904 ( -1.870 3.939 1.177) 4.517 2.955 ( -1.275 -0.302 2.959) 3.237 3.023 ( 2.259 -1.982 -2.456) 3.881 3.076 ( 0.415 -0.604 1.161) 1.373 3.098 ( -2.032 2.993 3.375) 4.947 3.248 ( 1.666 -6.820 -5.416) 8.867 3.327 ( 2.628 1.759 -1.986) 3.735 3.387 ( 0.497 -0.288 -0.805) 0.989 3.433 ( -0.317 -0.764 1.195) 1.453 3.482 ( 0.713 0.658 0.558) 1.119 3.503 ( -0.164 -1.397 0.241) 1.427 3.553 ( 0.082 -5.890 -1.255) 6.023 3.582 ( -0.578 2.467 -1.601) 2.998 3.678 ( 3.798 1.887 -1.188) 4.404 3.697 ( -3.198 -1.993 0.644) 3.823 3.732 ( -1.321 -1.866 -1.665) 2.828 3.771 ( -0.619 1.387 1.954) 2.475 3.876 ( -1.068 -3.530 2.607) 4.516 3.902 ( -4.565 1.824 -1.060) 5.029 3.974 ( 2.331 -2.018 -0.236) 3.092 4.042 ( -0.597 -2.274 0.558) 2.417 4.068 ( -0.869 -1.793 1.558) 2.530 4.115 ( 2.448 1.041 0.159) 2.664 4.173 ( -3.539 -2.092 0.379) 4.129 4.186 ( -2.351 -2.625 -1.675) 3.902 4.232 ( 1.308 -2.825 -0.166) 3.118 4.306 ( 2.093 -2.629 0.223) 3.368 4.333 ( -0.759 -2.024 0.284) 2.181 4.397 ( -0.619 1.391 1.381) 2.055 4.472 ( -1.101 0.082 -0.239) 1.129 4.499 ( 2.491 -0.529 2.128) 3.319 4.545 ( -1.522 -0.875 -0.730) 1.902 4.677 ( 0.755 0.523 2.233) 2.414 4.689 ( -4.305 -1.985 0.172) 4.743 4.717 ( 1.299 -1.155 -2.089) 2.718 4.755 ( -0.036 0.058 -1.367) 1.368 4.790 ( -1.885 0.909 -2.307) 3.115 4.862 ( -0.601 1.516 0.561) 1.725 5.001 ( -3.097 -5.015 0.947) 5.970 5.101 ( -0.935 -0.366 0.992) 1.412 5.233 ( -2.381 -1.574 3.425) 4.458 5.282 ( 4.493 1.989 -5.190) 7.147 5.395 ( -0.458 -1.848 1.458) 2.398 5.422 ( 1.357 -2.642 -0.423) 3.000 5.578 ( -1.647 2.807 1.936) 3.787 5.585 ( 1.365 3.167 -1.771) 3.877 5.667 ( 1.769 0.490 -0.474) 1.896 5.743 ( 0.637 1.469 3.039) 3.435 5.878 ( -1.521 1.629 0.989) 2.438 5.906 ( -0.434 0.530 0.110) 0.694 6.119 ( -0.966 -1.951 0.648) 2.272 6.130 ( -4.015 0.587 2.438) 4.733 6.188 ( 0.891 -3.874 -1.201) 4.153 6.213 ( 2.586 -1.316 -2.741) 3.991 6.527 ( 1.946 7.419 -3.150) 8.291 6.536 ( -1.980 6.983 2.935) 7.829 6.651 ( -2.145 -1.055 1.269) 2.707 6.707 ( 1.410 0.187 -0.086) 1.425 6.985 ( -0.755 -3.118 -0.384) 3.231 6.998 ( 1.958 -1.636 -3.484) 4.318 7.102 ( -0.910 1.489 2.327) 2.909 7.126 ( 1.184 2.641 1.371) 3.202 7.296 ( -0.981 -2.511 -1.961) 3.334 7.405 ( 1.927 -3.222 0.024) 3.755 7.694 ( 0.763 14.977 0.702) 15.013 7.730 ( 2.623 13.861 -0.329) 14.111 8.073 ( -2.633 14.114 1.482) 14.434 8.082 ( -0.540 14.512 -0.921) 14.551 8.738 ( 0.763 9.994 -2.242) 10.271 8.774 ( -0.970 9.070 2.365) 9.423 9.166 ( -6.355 10.261 9.294) 15.233 9.180 ( 6.462 9.669 -8.905) 14.648 9.691 ( -0.137 5.024 -2.339) 5.544 9.710 ( -3.162 5.563 1.850) 6.661 9.781 ( 2.853 3.170 -4.464) 6.174 9.809 ( -1.649 3.199 1.331) 3.838 9.973 ( 0.200 6.177 1.705) 6.411 10.059 ( -0.008 4.879 1.247) 5.036 10.114 ( 2.232 9.180 -0.537) 9.463 10.158 ( 1.262 8.192 4.926) 9.642 10.675 ( -0.866 -6.096 -6.951) 9.286 10.773 ( -3.054 -4.391 3.066) 6.165 11.017 ( -1.249 4.062 -2.156) 4.765 11.055 ( -2.223 5.730 1.078) 6.240 11.508 ( 1.927 -0.930 2.109) 3.005 11.546 ( 5.178 -3.045 -1.304) 6.147 11.846 ( -3.068 -0.193 1.866) 3.596 11.929 ( 3.053 -1.239 -2.162) 3.940 12.283 ( -0.675 -1.144 -1.184) 1.779 12.341 ( -0.989 -2.467 1.582) 3.093 12.446 ( 3.399 -4.691 -3.540) 6.789 12.462 ( -2.369 -5.333 5.026) 7.702 12.735 ( -0.598 2.418 -0.464) 2.534 12.802 ( -0.410 2.142 2.962) 3.678 13.187 ( -2.085 1.440 -6.051) 6.560 13.359 ( -1.123 -1.355 -0.430) 1.812 13.457 ( -0.009 -3.672 3.103) 4.808 13.614 ( 5.218 -1.912 3.547) 6.593 14.008 ( -0.599 -3.434 0.333) 3.502 14.114 ( 2.008 -4.011 1.995) 4.910 14.480 ( -2.638 3.536 1.555) 4.677 14.518 ( 1.259 2.002 -3.547) 4.263 14.833 ( -3.972 9.643 -4.965) 11.551 15.038 ( 1.032 5.317 -1.296) 5.569 15.787 ( 1.032 10.593 -3.809) 11.304 15.958 ( 1.040 4.055 3.988) 5.782 16.283 ( -2.454 6.030 4.451) 7.886 16.321 ( 3.979 1.831 -3.651) 5.702 16.902 ( 0.445 1.194 -0.872) 1.544 16.937 ( 0.500 1.510 1.076) 1.920 17.560 ( -5.375 6.988 6.734) 11.094 17.630 ( 6.887 0.419 -6.246) 9.306 18.127 ( -8.982 12.205 -8.615) 17.432 18.190 ( -6.065 6.435 -2.180) 9.108 18.437 ( -5.017 2.651 8.678) 10.369 18.826 ( 0.249 -3.659 7.358) 8.221 19.440 ( -2.956 0.330 4.992) 5.811 19.752 ( 9.125 -2.520 -1.824) 9.641 19.991 ( -3.759 -6.239 -0.455) 7.298 20.195 ( 4.119 -16.702 0.058) 17.202 21.291 ( 8.541 -1.600 -0.378) 8.698 21.350 ( 6.895 -3.278 1.374) 7.757 21.853 ( -2.636 -0.260 -0.772) 2.759 21.911 ( -1.595 -1.019 0.439) 1.943 22.724 ( -1.057 -6.064 1.449) 6.324 22.771 ( 2.372 -6.069 -1.090) 6.606 22.873 ( -5.741 -5.426 -10.694) 13.295 23.148 ( -2.350 -11.863 2.846) 12.424 ======================= Grid point 136 (61/70) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 5.625 20.385 -8.390) 22.750 1.307 ( 5.005 16.966 -4.987) 18.379 1.345 ( 0.982 11.149 -0.549) 11.206 1.588 ( -10.896 10.149 3.611) 15.322 1.924 ( -2.665 10.534 3.178) 11.321 2.087 ( -4.361 4.461 0.560) 6.264 2.180 ( 3.549 5.904 1.418) 7.033 2.253 ( 1.572 1.232 -4.207) 4.657 2.318 ( -4.805 4.505 2.361) 6.997 2.374 ( 4.512 9.004 -1.854) 10.241 2.391 ( -4.205 5.646 3.813) 8.006 2.439 ( -2.288 1.412 -2.442) 3.632 2.564 ( 2.379 4.994 2.250) 5.971 2.609 ( 1.805 1.982 -0.713) 2.773 2.740 ( 5.103 3.280 -1.521) 6.254 2.811 ( 2.490 2.947 -0.844) 3.950 2.930 ( -3.898 -0.146 2.199) 4.478 2.947 ( 2.822 7.674 2.019) 8.422 2.990 ( -1.040 -1.379 -0.745) 1.881 3.096 ( 1.426 1.011 -4.057) 4.418 3.140 ( -1.893 3.291 3.860) 5.414 3.198 ( 2.668 -4.017 -4.819) 6.818 3.320 ( -2.323 -2.151 -0.204) 3.173 3.364 ( -0.482 0.494 -1.691) 1.827 3.431 ( 2.733 -0.239 -2.585) 3.769 3.504 ( 2.068 -5.045 -2.444) 5.975 3.524 ( 0.972 -1.870 -1.867) 2.816 3.552 ( 1.047 2.317 5.322) 5.898 3.594 ( 1.244 1.090 0.832) 1.851 3.635 ( -3.647 -0.902 0.035) 3.757 3.688 ( -3.849 0.350 1.053) 4.006 3.707 ( -3.569 5.442 0.707) 6.546 3.805 ( -2.894 0.317 3.020) 4.195 3.819 ( 4.651 1.301 -1.909) 5.193 3.892 ( 1.203 -2.430 -0.726) 2.807 4.021 ( 1.528 0.475 0.879) 1.826 4.056 ( -0.758 -2.036 0.371) 2.204 4.067 ( -2.602 -7.035 0.181) 7.503 4.133 ( 2.755 -0.987 2.347) 3.751 4.155 ( 3.391 0.936 -1.231) 3.727 4.176 ( -0.072 -2.685 3.505) 4.416 4.251 ( -1.182 -4.433 1.575) 4.850 4.305 ( -0.204 -0.761 -2.909) 3.014 4.324 ( -0.982 -1.563 -0.114) 1.850 4.382 ( -2.001 1.491 -0.014) 2.496 4.464 ( -1.336 -0.934 0.811) 1.821 4.468 ( -1.695 -1.275 -0.463) 2.171 4.560 ( -3.859 0.446 -3.298) 5.096 4.591 ( -0.681 -4.539 1.569) 4.851 4.688 ( -1.227 0.537 -2.979) 3.266 4.716 ( -0.339 -3.064 -2.193) 3.783 4.738 ( 0.408 0.379 3.022) 3.072 4.751 ( -0.894 -2.123 -0.664) 2.397 4.833 ( -1.523 1.560 -1.479) 2.634 5.015 ( 0.535 -2.643 3.820) 4.676 5.086 ( -0.502 0.800 -0.719) 1.187 5.257 ( -0.890 -1.792 4.971) 5.359 5.298 ( 4.332 1.543 -5.164) 6.915 5.408 ( 0.337 -2.825 0.517) 2.892 5.431 ( -0.403 -4.244 0.528) 4.296 5.569 ( 0.468 3.511 -0.987) 3.677 5.585 ( -1.104 3.336 1.141) 3.695 5.711 ( 2.796 -0.185 0.540) 2.854 5.767 ( -0.252 0.939 0.820) 1.272 5.871 ( -1.146 1.537 1.409) 2.379 5.885 ( -1.770 0.916 0.370) 2.027 6.085 ( -3.050 0.518 2.181) 3.786 6.129 ( 2.356 -2.016 -4.467) 5.438 6.177 ( -3.663 -2.982 5.834) 7.506 6.224 ( 3.324 -1.555 -4.873) 6.100 6.526 ( 2.120 6.563 -3.071) 7.550 6.536 ( -2.009 7.424 2.926) 8.228 6.644 ( -1.037 -1.045 2.525) 2.923 6.711 ( 0.025 0.459 -1.712) 1.772 6.973 ( -0.592 -2.753 0.521) 2.864 6.990 ( 1.836 -1.255 -3.621) 4.250 7.120 ( -0.196 1.034 2.366) 2.589 7.154 ( 0.542 1.767 0.091) 1.851 7.292 ( 1.023 -2.513 1.717) 3.211 7.406 ( -0.195 -2.762 -2.418) 3.677 7.730 ( 2.176 14.562 0.687) 14.740 7.763 ( 1.674 13.508 -0.520) 13.622 8.043 ( -2.803 14.715 1.787) 15.086 8.055 ( -0.972 15.026 -1.339) 15.116 8.735 ( 1.515 10.493 -1.663) 10.731 8.772 ( -2.132 9.750 1.727) 10.128 9.171 ( -5.676 9.816 9.124) 14.554 9.183 ( 5.955 9.260 -8.734) 14.053 9.669 ( 0.445 5.751 -1.910) 6.076 9.679 ( -2.269 5.703 1.170) 6.248 9.780 ( 3.113 4.166 -4.621) 6.957 9.794 ( -2.771 2.805 3.040) 4.979 10.014 ( 1.612 5.449 1.515) 5.881 10.057 ( -0.324 4.481 -0.075) 4.493 10.149 ( 2.157 9.154 0.372) 9.412 10.219 ( -1.662 8.434 4.262) 9.595 10.606 ( 2.617 -5.531 -5.986) 8.560 10.722 ( -5.292 -3.899 0.764) 6.618 10.991 ( -1.212 5.056 1.330) 5.366 11.027 ( -0.769 6.575 -1.378) 6.762 11.580 ( 2.343 -1.613 3.390) 4.425 11.610 ( 4.307 -3.967 -1.862) 6.144 11.830 ( -1.714 0.071 2.544) 3.068 11.920 ( 0.099 -0.569 -4.273) 4.312 12.268 ( -0.613 -1.223 0.395) 1.424 12.314 ( -1.999 -2.191 -1.105) 3.165 12.460 ( 3.961 -4.446 -4.682) 7.575 12.478 ( -3.373 -5.066 5.656) 8.309 12.733 ( 0.687 1.865 0.030) 1.988 12.791 ( -2.416 1.762 0.141) 2.993 13.179 ( 3.596 2.324 1.009) 4.398 13.332 ( -1.914 -0.519 -0.560) 2.061 13.505 ( 0.169 -4.363 5.846) 7.297 13.666 ( 1.258 -2.209 -4.143) 4.861 14.055 ( 1.539 -3.847 5.327) 6.749 14.147 ( 1.061 -4.195 -0.920) 4.424 14.464 ( -3.262 4.864 3.923) 7.049 14.477 ( 1.011 3.742 -5.558) 6.776 14.782 ( 2.450 9.119 -1.509) 9.562 14.981 ( -3.542 5.811 -4.199) 7.996 15.813 ( 4.611 9.430 -0.660) 10.518 15.966 ( -3.061 4.112 0.979) 5.219 16.308 ( -1.969 7.342 5.655) 9.474 16.337 ( 3.664 3.257 -4.917) 6.944 16.912 ( 1.102 1.110 0.290) 1.591 16.949 ( 0.043 1.550 0.068) 1.552 17.558 ( -5.916 10.239 9.508) 15.174 17.646 ( 6.165 1.924 -12.014) 13.640 17.924 ( -3.837 11.957 -1.903) 12.701 18.072 ( -7.667 1.497 0.402) 7.822 18.522 ( 2.207 3.399 8.195) 9.142 18.805 ( -7.013 -2.181 1.359) 7.469 19.537 ( 3.170 -2.396 8.708) 9.572 19.811 ( 1.849 -3.369 -5.198) 6.464 19.937 ( -2.499 -8.275 2.624) 9.034 20.141 ( -1.287 -15.774 -10.523) 19.005 21.449 ( 9.449 -4.211 -1.253) 10.421 21.511 ( 7.204 -6.149 3.288) 10.026 21.805 ( -2.757 0.386 0.350) 2.805 21.853 ( -4.433 0.110 -0.970) 4.539 22.698 ( -1.623 -3.096 -0.189) 3.501 22.763 ( 1.022 -6.032 -4.012) 7.316 22.817 ( 3.946 -4.512 2.140) 6.365 23.083 ( -6.096 -9.581 -1.173) 11.416 ======================= Grid point 137 (62/70) ======================= q-point: (-0.50 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 4.423 16.652 -2.446) 17.402 1.269 ( -4.423 16.652 2.446) 17.402 1.433 ( 5.348 11.148 -4.932) 13.312 1.433 ( -5.348 11.148 4.932) 13.312 1.986 ( -3.202 8.913 -5.109) 10.761 1.986 ( 3.202 8.913 5.109) 10.761 2.222 ( 0.132 3.461 -3.191) 4.710 2.222 ( -0.132 3.461 3.191) 4.710 2.342 ( 1.920 6.173 -8.569) 10.734 2.342 ( -1.920 6.173 8.569) 10.734 2.409 ( 2.210 1.198 -3.589) 4.382 2.409 ( -2.210 1.198 3.589) 4.382 2.610 ( 2.883 3.795 -5.185) 7.043 2.610 ( -2.883 3.795 5.185) 7.043 2.816 ( -2.323 3.248 -1.373) 4.222 2.816 ( 2.323 3.248 1.373) 4.222 2.915 ( -1.388 0.219 -2.725) 3.066 2.915 ( 1.388 0.219 2.725) 3.066 3.043 ( -2.775 5.079 -3.234) 6.630 3.043 ( 2.775 5.079 3.234) 6.630 3.168 ( -1.031 1.309 -2.823) 3.278 3.168 ( 1.031 1.309 2.823) 3.278 3.322 ( -0.375 -4.081 -2.687) 4.901 3.322 ( 0.375 -4.081 2.687) 4.901 3.475 ( -2.200 -1.365 -0.387) 2.618 3.475 ( 2.200 -1.365 0.387) 2.618 3.571 ( -1.647 -0.044 -0.649) 1.771 3.571 ( 1.647 -0.044 0.649) 1.771 3.620 ( 0.743 5.463 -2.056) 5.884 3.620 ( -0.743 5.463 2.056) 5.884 3.639 ( -0.304 -1.708 -3.057) 3.515 3.639 ( 0.304 -1.708 3.057) 3.515 3.834 ( 1.902 0.100 -7.318) 7.562 3.834 ( -1.902 0.100 7.318) 7.562 3.940 ( -4.856 -0.428 -1.103) 4.998 3.940 ( 4.856 -0.428 1.103) 4.998 4.094 ( -2.901 -2.618 -3.194) 5.047 4.094 ( 2.901 -2.618 3.194) 5.047 4.160 ( -0.093 -3.729 -4.512) 5.854 4.160 ( 0.093 -3.729 4.512) 5.854 4.247 ( 0.618 -1.182 -6.163) 6.306 4.247 ( -0.618 -1.182 6.163) 6.306 4.285 ( -2.753 -1.458 -1.049) 3.288 4.285 ( 2.753 -1.458 1.049) 3.288 4.391 ( -2.294 2.429 -3.328) 4.716 4.391 ( 2.294 2.429 3.328) 4.716 4.482 ( -0.631 -2.749 -0.910) 2.964 4.482 ( 0.631 -2.749 0.910) 2.964 4.624 ( -1.242 -4.199 -2.160) 4.883 4.624 ( 1.242 -4.199 2.160) 4.883 4.723 ( 1.586 -1.332 -2.071) 2.929 4.723 ( -1.586 -1.332 2.071) 2.929 4.787 ( -1.621 1.217 -2.078) 2.903 4.787 ( 1.621 1.217 2.078) 2.903 5.064 ( -0.007 -1.107 -2.917) 3.120 5.064 ( 0.007 -1.107 2.917) 3.120 5.295 ( 2.880 -0.054 -6.331) 6.956 5.295 ( -2.880 -0.054 6.331) 6.956 5.420 ( 0.149 -3.835 -0.747) 3.910 5.420 ( -0.149 -3.835 0.747) 3.910 5.575 ( 2.059 3.560 -2.654) 4.895 5.575 ( -2.059 3.560 2.654) 4.895 5.755 ( -1.478 -0.200 -0.316) 1.525 5.755 ( 1.478 -0.200 0.316) 1.525 5.870 ( 0.451 1.527 -0.467) 1.659 5.870 ( -0.451 1.527 0.467) 1.659 6.092 ( 1.942 -0.595 -5.945) 6.283 6.092 ( -1.942 -0.595 5.945) 6.283 6.206 ( 3.562 -2.118 -7.942) 8.958 6.206 ( -3.562 -2.118 7.942) 8.958 6.531 ( 2.379 6.635 -2.843) 7.600 6.531 ( -2.379 6.635 2.843) 7.600 6.675 ( -0.105 -0.029 -3.698) 3.699 6.675 ( 0.105 -0.029 3.698) 3.699 6.978 ( 2.238 -1.833 -4.002) 4.939 6.978 ( -2.238 -1.833 4.002) 4.939 7.144 ( 1.552 0.819 -3.471) 3.889 7.144 ( -1.552 0.819 3.471) 3.889 7.353 ( -0.767 -2.296 -4.468) 5.082 7.353 ( 0.767 -2.296 4.468) 5.082 7.765 ( 0.586 13.804 -1.861) 13.941 7.765 ( -0.586 13.804 1.861) 13.941 8.033 ( 2.680 15.214 -4.293) 16.034 8.033 ( -2.680 15.214 4.293) 16.034 8.750 ( 3.228 10.455 -4.390) 11.790 8.750 ( -3.228 10.455 4.390) 11.790 9.180 ( 7.274 9.367 -11.199) 16.312 9.180 ( -7.274 9.367 11.199) 16.312 9.664 ( 1.723 5.811 -2.374) 6.510 9.664 ( -1.723 5.811 2.374) 6.510 9.784 ( 3.464 3.515 -4.541) 6.706 9.784 ( -3.464 3.515 4.541) 6.706 10.046 ( 1.501 5.059 -2.950) 6.045 10.046 ( -1.501 5.059 2.950) 6.045 10.196 ( 0.236 8.684 -1.806) 8.873 10.196 ( -0.236 8.684 1.806) 8.873 10.639 ( -1.969 -4.160 0.381) 4.618 10.639 ( 1.969 -4.160 -0.381) 4.618 11.001 ( 2.514 5.910 -4.821) 8.030 11.001 ( -2.514 5.910 4.821) 8.030 11.631 ( 6.188 -3.232 -9.440) 11.740 11.631 ( -6.188 -3.232 9.440) 11.740 11.858 ( 0.028 0.642 -4.792) 4.835 11.858 ( -0.028 0.642 4.792) 4.835 12.276 ( 0.128 -1.384 -1.910) 2.362 12.276 ( -0.128 -1.384 1.910) 2.362 12.474 ( 4.134 -4.567 -4.988) 7.926 12.474 ( -4.134 -4.567 4.988) 7.926 12.755 ( -1.510 1.775 -0.357) 2.357 12.755 ( 1.510 1.775 0.357) 2.357 13.268 ( -3.768 0.589 -2.221) 4.413 13.268 ( 3.768 0.589 2.221) 4.413 13.595 ( 0.747 -3.125 -8.841) 9.407 13.595 ( -0.747 -3.125 8.841) 9.407 14.127 ( 0.270 -4.445 -4.426) 6.278 14.127 ( -0.270 -4.445 4.426) 6.278 14.456 ( 3.445 4.721 -4.792) 7.558 14.456 ( -3.445 4.721 4.792) 7.558 14.861 ( -5.182 7.156 -2.951) 9.316 14.861 ( 5.182 7.156 2.951) 9.316 15.898 ( -4.915 6.848 -0.434) 8.441 15.898 ( 4.915 6.848 0.434) 8.441 16.332 ( 4.348 5.846 -7.450) 10.421 16.332 ( -4.348 5.846 7.450) 10.421 16.937 ( -0.905 1.315 -0.731) 1.756 16.937 ( 0.905 1.315 0.731) 1.756 17.586 ( 4.900 9.646 -11.894) 16.079 17.586 ( -4.900 9.646 11.894) 16.079 17.955 ( -2.695 2.666 -2.089) 4.329 17.955 ( 2.695 2.666 2.089) 4.329 18.669 ( -4.959 1.022 -5.898) 7.773 18.669 ( 4.959 1.022 5.898) 7.773 19.695 ( 1.372 -1.762 -13.441) 13.626 19.695 ( -1.372 -1.762 13.441) 13.626 20.004 ( -1.354 -12.578 -8.563) 15.277 20.004 ( 1.354 -12.578 8.563) 15.277 21.561 ( 2.291 -6.390 -1.281) 6.909 21.561 ( -2.291 -6.390 1.281) 6.909 21.789 ( 1.967 1.299 -3.078) 3.877 21.789 ( -1.967 1.299 3.078) 3.877 22.722 ( 0.123 -5.032 -4.767) 6.933 22.722 ( -0.123 -5.032 4.767) 6.933 22.945 ( -6.756 -6.662 -3.451) 10.096 22.945 ( 6.756 -6.662 3.451) 10.096 ======================= Grid point 141 (63/70) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 3.656 16.111 -5.422) 17.387 1.643 ( -3.656 16.111 5.422) 17.387 1.846 ( -0.910 17.216 -5.798) 18.189 1.846 ( 0.910 17.216 5.798) 18.189 2.112 ( -1.697 0.670 -0.061) 1.825 2.112 ( 1.697 0.670 0.061) 1.825 2.313 ( 2.581 5.168 -8.364) 10.165 2.313 ( -2.581 5.168 8.364) 10.165 2.380 ( 4.065 4.710 -5.721) 8.452 2.380 ( -4.065 4.710 5.721) 8.452 2.612 ( 0.996 -0.412 -2.638) 2.850 2.612 ( -0.996 -0.412 2.638) 2.850 2.654 ( -0.831 3.833 -2.479) 4.640 2.654 ( 0.831 3.833 2.479) 4.640 2.769 ( 5.867 1.248 -2.552) 6.519 2.769 ( -5.867 1.248 2.552) 6.519 2.916 ( 2.472 -4.845 -3.869) 6.675 2.916 ( -2.472 -4.845 3.869) 6.675 3.066 ( -2.116 -2.100 -2.460) 3.865 3.066 ( 2.116 -2.100 2.460) 3.865 3.191 ( -0.471 10.991 -3.008) 11.405 3.191 ( 0.471 10.991 3.008) 11.405 3.321 ( 0.651 -5.128 -1.576) 5.404 3.321 ( -0.651 -5.128 1.576) 5.404 3.388 ( -1.388 -1.390 -3.559) 4.065 3.388 ( 1.388 -1.390 3.559) 4.065 3.477 ( -2.068 -3.477 -1.571) 4.339 3.477 ( 2.068 -3.477 1.571) 4.339 3.614 ( 1.051 -1.388 -2.401) 2.966 3.614 ( -1.051 -1.388 2.401) 2.966 3.760 ( -2.199 1.351 -3.124) 4.052 3.760 ( 2.199 1.351 3.124) 4.052 3.790 ( 3.789 3.280 -2.809) 5.745 3.790 ( -3.789 3.280 2.809) 5.745 3.932 ( -1.571 -4.351 -2.174) 5.112 3.932 ( 1.571 -4.351 2.174) 5.112 4.021 ( -1.619 -0.228 -1.382) 2.141 4.021 ( 1.619 -0.228 1.382) 2.141 4.104 ( 2.694 -2.899 -2.129) 4.494 4.104 ( -2.694 -2.899 2.129) 4.494 4.175 ( -2.367 -2.900 -0.413) 3.766 4.175 ( 2.367 -2.900 0.413) 3.766 4.305 ( -1.835 0.244 -1.907) 2.658 4.305 ( 1.835 0.244 1.907) 2.658 4.435 ( 0.877 1.448 -2.301) 2.857 4.435 ( -0.877 1.448 2.301) 2.857 4.528 ( -0.078 -0.410 -1.718) 1.768 4.528 ( 0.078 -0.410 1.718) 1.768 4.638 ( 1.027 -3.602 -1.876) 4.189 4.638 ( -1.027 -3.602 1.876) 4.189 4.714 ( -1.517 -1.513 -0.447) 2.189 4.714 ( 1.517 -1.513 0.447) 2.189 4.903 ( -0.115 3.514 -1.773) 3.938 4.903 ( 0.115 3.514 1.773) 3.938 4.985 ( -2.286 -2.213 -0.672) 3.252 4.985 ( 2.286 -2.213 0.672) 3.252 5.258 ( 4.939 -2.262 -6.689) 8.617 5.258 ( -4.939 -2.262 6.689) 8.617 5.391 ( 2.599 1.318 -4.053) 4.992 5.391 ( -2.599 1.318 4.053) 4.992 5.633 ( 2.076 1.962 -1.307) 3.141 5.633 ( -2.076 1.962 1.307) 3.141 5.729 ( -1.416 2.882 -2.930) 4.346 5.729 ( 1.416 2.882 2.930) 4.346 5.918 ( 0.510 0.822 -1.084) 1.453 5.918 ( -0.510 0.822 1.084) 1.453 6.065 ( 3.699 -4.751 -3.694) 7.064 6.065 ( -3.699 -4.751 3.694) 7.064 6.208 ( 3.003 2.097 -3.000) 4.734 6.208 ( -3.003 2.097 3.000) 4.734 6.651 ( 0.487 1.003 -1.792) 2.110 6.651 ( -0.487 1.003 1.792) 2.110 6.679 ( 0.313 3.413 -2.439) 4.207 6.679 ( -0.313 3.413 2.439) 4.207 6.943 ( -0.115 -2.550 -0.630) 2.630 6.943 ( 0.115 -2.550 0.630) 2.630 7.124 ( -0.100 0.173 -0.868) 0.891 7.124 ( 0.100 0.173 0.868) 0.891 7.306 ( -4.038 -1.454 0.703) 4.349 7.306 ( 4.038 -1.454 -0.703) 4.349 8.024 ( 0.152 15.222 -1.897) 15.341 8.024 ( -0.152 15.222 1.897) 15.341 8.370 ( 2.681 12.627 -4.145) 13.557 8.370 ( -2.681 12.627 4.145) 13.557 8.939 ( 2.563 8.238 -3.226) 9.211 8.939 ( -2.563 8.238 3.226) 9.211 9.353 ( 6.950 6.788 -10.381) 14.218 9.353 ( -6.950 6.788 10.381) 14.218 9.805 ( 1.892 4.098 -4.270) 6.213 9.805 ( -1.892 4.098 4.270) 6.213 9.840 ( 2.653 1.381 -3.892) 4.908 9.840 ( -2.653 1.381 3.892) 4.908 10.120 ( 0.389 3.907 -4.409) 5.904 10.120 ( -0.389 3.907 4.409) 5.904 10.287 ( 1.298 7.459 -1.937) 7.815 10.287 ( -1.298 7.459 1.937) 7.815 10.613 ( -1.567 -7.292 -3.669) 8.312 10.613 ( 1.567 -7.292 3.669) 8.312 11.138 ( 2.387 3.504 -4.187) 5.959 11.138 ( -2.387 3.504 4.187) 5.959 11.464 ( 4.312 -1.162 -6.785) 8.123 11.464 ( -4.312 -1.162 6.785) 8.123 11.879 ( -1.693 -0.096 -0.645) 1.814 11.879 ( 1.693 -0.096 0.645) 1.814 12.279 ( 0.162 -1.773 -1.964) 2.651 12.279 ( -0.162 -1.773 1.964) 2.651 12.351 ( 3.433 -3.633 -5.360) 7.329 12.351 ( -3.433 -3.633 5.360) 7.329 12.823 ( 1.347 2.832 -4.355) 5.366 12.823 ( -1.347 2.832 4.355) 5.366 13.286 ( -1.364 -1.982 -3.152) 3.965 13.286 ( 1.364 -1.982 3.152) 3.965 13.445 ( 2.089 -1.175 -8.224) 8.566 13.445 ( -2.089 -1.175 8.224) 8.566 13.970 ( 0.775 -3.530 -4.449) 5.732 13.970 ( -0.775 -3.530 4.449) 5.732 14.546 ( 3.142 1.152 -5.297) 6.265 14.546 ( -3.142 1.152 5.297) 6.265 15.058 ( -0.177 1.245 -5.826) 5.960 15.058 ( 0.177 1.245 5.826) 5.960 16.085 ( -1.502 14.134 -2.823) 14.492 16.085 ( 1.502 14.134 2.823) 14.492 16.430 ( 3.725 9.168 -8.152) 12.822 16.430 ( -3.725 9.168 8.152) 12.822 16.891 ( -0.601 -4.055 -1.971) 4.549 16.891 ( 0.601 -4.055 1.971) 4.549 17.553 ( 5.337 -5.475 -12.465) 14.623 17.553 ( -5.337 -5.475 12.465) 14.623 18.446 ( -4.412 9.206 -0.836) 10.243 18.446 ( 4.412 9.206 0.836) 10.243 18.664 ( 1.005 5.576 -14.197) 15.286 18.664 ( -1.005 5.576 14.197) 15.286 19.531 ( -8.169 -5.534 -0.500) 9.880 19.531 ( 8.169 -5.534 0.500) 9.880 19.894 ( 2.842 -6.427 -8.377) 10.934 19.894 ( -2.842 -6.427 8.377) 10.934 21.215 ( 0.083 -1.689 -1.773) 2.450 21.215 ( -0.083 -1.689 1.773) 2.450 21.896 ( 0.172 0.359 -1.757) 1.801 21.896 ( -0.172 0.359 1.757) 1.801 22.612 ( -0.621 -5.867 -0.988) 5.983 22.612 ( 0.621 -5.867 0.988) 5.983 22.897 ( -1.391 -6.289 -5.485) 8.460 22.897 ( 1.391 -6.289 5.485) 8.460 ======================= Grid point 143 (64/70) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 0.104 14.744 -2.702) 14.990 1.651 ( 2.024 17.296 -3.388) 17.740 1.762 ( -3.956 19.377 -1.161) 19.811 1.904 ( -3.036 13.267 3.245) 13.991 2.077 ( -0.790 3.701 0.645) 3.839 2.156 ( 2.362 0.495 -0.182) 2.420 2.235 ( -1.472 5.035 -1.908) 5.582 2.326 ( -1.824 5.354 1.494) 5.850 2.388 ( -0.845 1.720 2.119) 2.856 2.449 ( 4.890 5.044 -1.020) 7.099 2.539 ( -5.745 2.784 2.465) 6.844 2.610 ( -2.908 3.589 3.063) 5.542 2.638 ( -2.103 2.743 1.855) 3.923 2.670 ( -3.906 2.547 -1.709) 4.966 2.723 ( 2.773 0.609 2.010) 3.479 2.833 ( 4.327 1.161 -3.948) 5.972 2.886 ( -1.453 -7.444 -0.225) 7.588 2.934 ( 0.643 -2.681 -0.961) 2.920 3.016 ( -0.057 -4.310 -1.236) 4.484 3.097 ( -1.975 -4.922 2.324) 5.791 3.183 ( 4.370 12.626 -4.922) 14.239 3.222 ( 3.604 6.789 -4.371) 8.842 3.326 ( 1.312 -3.658 -1.713) 4.247 3.337 ( 0.888 -3.978 0.919) 4.178 3.372 ( 2.996 -1.277 -2.726) 4.247 3.431 ( 0.406 -3.573 0.214) 3.602 3.463 ( 1.695 1.571 0.547) 2.375 3.521 ( 1.212 -5.291 1.186) 5.556 3.584 ( -0.973 0.858 -3.000) 3.268 3.632 ( 2.263 -2.019 1.137) 3.239 3.719 ( -4.999 5.041 2.265) 7.452 3.734 ( 0.163 -0.249 1.042) 1.084 3.815 ( 0.891 -2.519 -0.785) 2.785 3.839 ( 0.767 0.095 -0.598) 0.978 3.873 ( -1.304 -0.850 1.523) 2.178 3.952 ( -2.030 2.858 3.151) 4.714 3.994 ( -0.964 -4.707 0.034) 4.805 4.061 ( 1.078 0.963 1.207) 1.883 4.075 ( -3.162 -5.499 1.079) 6.435 4.137 ( -0.893 -1.595 2.391) 3.010 4.148 ( 1.580 -0.356 -0.687) 1.759 4.218 ( 1.991 -1.595 0.046) 2.552 4.244 ( -1.894 -0.539 -1.484) 2.466 4.335 ( 0.849 1.197 -1.770) 2.300 4.417 ( -0.191 -1.029 0.297) 1.088 4.445 ( -0.601 -1.030 -0.703) 1.384 4.500 ( -0.667 0.681 0.414) 1.039 4.539 ( -0.940 -0.086 -0.621) 1.130 4.610 ( -3.827 -5.055 -0.737) 6.383 4.648 ( 1.352 -2.440 0.259) 2.802 4.689 ( -1.290 -1.305 0.958) 2.070 4.740 ( -0.403 -1.394 1.629) 2.182 4.849 ( -3.262 4.357 -2.635) 6.047 4.887 ( -2.352 1.033 0.679) 2.657 4.970 ( 0.832 1.560 0.315) 1.796 5.038 ( 2.919 -3.628 -0.797) 4.724 5.231 ( -3.597 -0.850 4.689) 5.971 5.298 ( 2.550 -2.585 -0.528) 3.670 5.362 ( -1.388 0.842 -0.393) 1.670 5.394 ( 0.702 1.128 -2.155) 2.531 5.617 ( -1.724 0.605 1.290) 2.237 5.649 ( 1.670 1.460 -1.703) 2.797 5.687 ( -0.268 2.600 -1.135) 2.850 5.785 ( 1.274 2.777 1.989) 3.645 5.899 ( -1.337 0.195 -0.044) 1.352 5.931 ( 0.168 1.867 0.736) 2.014 6.053 ( -2.694 -3.649 5.577) 7.189 6.100 ( 2.842 -4.526 -1.881) 5.666 6.172 ( -3.161 2.570 1.279) 4.270 6.224 ( 2.773 2.101 -3.667) 5.055 6.619 ( -0.838 -0.219 -2.000) 2.180 6.637 ( -0.117 0.742 -2.219) 2.343 6.670 ( -1.519 5.380 2.491) 6.120 6.722 ( 1.308 2.187 1.453) 2.934 6.923 ( -0.689 -2.650 -0.823) 2.859 6.957 ( 1.261 -2.492 -1.286) 3.075 7.111 ( -0.788 -0.131 0.837) 1.157 7.147 ( 1.388 -0.525 -0.548) 1.582 7.259 ( -2.983 -0.525 2.409) 3.870 7.357 ( 3.414 -1.445 -1.748) 4.098 8.020 ( 1.557 14.735 -1.033) 14.853 8.055 ( 1.320 15.410 1.107) 15.506 8.359 ( 0.061 13.006 -1.540) 13.097 8.368 ( -1.840 12.735 1.849) 12.999 8.938 ( -1.868 8.717 3.171) 9.462 8.950 ( 2.823 8.086 -2.963) 9.063 9.348 ( 3.970 6.491 -6.586) 10.064 9.352 ( -4.815 7.052 6.622) 10.806 9.784 ( 0.163 4.009 -1.951) 4.461 9.807 ( -2.522 3.929 2.934) 5.514 9.832 ( -0.385 2.123 1.095) 2.419 9.868 ( 3.327 1.718 -3.087) 4.852 10.080 ( 0.332 4.395 -2.539) 5.087 10.152 ( -1.561 3.425 3.424) 5.088 10.288 ( -0.005 6.379 1.053) 6.466 10.321 ( 1.986 6.273 1.573) 6.765 10.531 ( -2.041 -6.654 -4.023) 8.039 10.656 ( 0.146 -6.364 0.626) 6.397 11.107 ( -1.910 4.334 0.379) 4.752 11.152 ( 0.155 3.557 -0.484) 3.593 11.484 ( 6.274 -1.210 -5.271) 8.284 11.493 ( -1.274 -1.998 5.865) 6.326 11.847 ( -1.371 0.325 -0.092) 1.412 11.911 ( 1.391 -0.532 -0.192) 1.502 12.259 ( 0.080 -1.047 -1.646) 1.952 12.287 ( -0.723 -2.491 0.477) 2.637 12.358 ( 3.777 -3.473 -4.060) 6.543 12.366 ( -2.462 -3.571 5.581) 7.068 12.794 ( 0.344 3.099 -2.660) 4.099 12.844 ( -2.172 1.874 3.562) 4.573 13.219 ( -1.140 1.175 -2.659) 3.123 13.316 ( -0.150 -2.826 0.632) 2.900 13.402 ( 0.272 -1.023 -0.165) 1.072 13.553 ( 4.848 -3.654 1.348) 6.219 13.944 ( 0.330 -2.580 -0.124) 2.604 14.019 ( 0.679 -4.545 2.809) 5.386 14.531 ( 1.152 1.220 -3.126) 3.548 14.551 ( -1.873 1.264 2.296) 3.221 14.977 ( -0.611 3.780 -5.954) 7.079 15.095 ( -2.253 -0.168 2.991) 3.748 16.048 ( 0.311 14.943 -1.492) 15.021 16.140 ( 1.515 13.845 1.645) 14.024 16.418 ( 5.426 7.448 -7.176) 11.680 16.468 ( -3.050 10.330 8.049) 13.445 16.870 ( 0.309 -4.704 -1.190) 4.862 16.925 ( 0.674 -3.154 1.652) 3.624 17.512 ( 6.088 -7.659 -10.894) 14.643 17.600 ( -6.161 -4.381 11.962) 14.151 18.352 ( -6.021 12.525 0.364) 13.902 18.472 ( -5.313 11.292 -9.520) 15.696 18.532 ( 5.441 9.178 -1.414) 10.763 18.775 ( -2.834 -0.253 8.578) 9.037 19.423 ( -4.178 -3.251 3.244) 6.209 19.652 ( 5.827 -7.002 -2.171) 9.364 19.844 ( 1.116 -9.959 -6.104) 11.734 19.912 ( -6.928 -7.523 7.513) 12.690 21.256 ( 6.564 -1.677 -0.976) 6.845 21.284 ( 5.204 -2.858 1.850) 6.218 21.863 ( -1.733 1.170 -0.739) 2.218 21.901 ( -1.200 0.057 0.336) 1.247 22.595 ( -0.370 -5.969 0.253) 5.985 22.645 ( 1.713 -5.749 0.222) 6.003 22.794 ( -2.381 -2.402 -5.654) 6.588 22.941 ( -1.725 -8.047 2.678) 8.655 ======================= Grid point 144 (65/70) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 1.927 13.770 -1.495) 13.985 1.640 ( 1.845 17.150 -4.062) 17.721 1.697 ( -2.649 19.373 0.117) 19.554 1.816 ( -6.382 12.026 -1.821) 13.736 2.089 ( 0.606 5.737 0.972) 5.851 2.152 ( -2.491 4.145 0.507) 4.863 2.254 ( 3.295 0.242 -0.388) 3.326 2.337 ( 0.254 6.157 -1.554) 6.355 2.380 ( 0.159 2.600 2.255) 3.445 2.455 ( -4.332 4.538 3.779) 7.323 2.504 ( -1.551 5.738 1.370) 6.100 2.559 ( -5.565 2.276 0.752) 6.059 2.645 ( 2.959 2.428 -2.098) 4.365 2.662 ( -0.995 3.200 5.678) 6.593 2.795 ( 3.320 3.235 -2.650) 5.340 2.813 ( 0.481 -3.201 0.350) 3.256 2.868 ( -1.654 -3.077 1.040) 3.645 2.917 ( -0.717 -5.355 -2.977) 6.168 3.030 ( 4.227 -5.663 -2.509) 7.499 3.093 ( -2.474 -2.930 3.012) 4.876 3.196 ( 3.261 7.645 -2.492) 8.677 3.241 ( 3.636 4.311 -3.024) 6.399 3.310 ( 0.078 -5.434 -2.988) 6.202 3.344 ( -0.948 1.332 -1.949) 2.544 3.369 ( 0.227 -5.741 -0.302) 5.753 3.416 ( -2.137 1.462 -4.317) 5.034 3.507 ( 4.224 -2.229 1.526) 5.014 3.561 ( 2.014 -0.247 1.206) 2.361 3.571 ( 0.691 -2.008 1.517) 2.610 3.671 ( -0.351 2.375 0.259) 2.414 3.701 ( 1.138 -0.454 0.213) 1.243 3.749 ( -3.252 -4.263 -1.634) 5.606 3.780 ( 2.161 0.769 1.008) 2.506 3.862 ( 0.143 -0.590 1.797) 1.897 3.889 ( -0.386 3.202 1.709) 3.650 3.948 ( -2.605 -1.648 2.391) 3.902 3.996 ( 1.210 -2.746 -0.446) 3.034 4.022 ( -1.825 -2.695 0.005) 3.255 4.098 ( 0.079 -0.159 2.941) 2.946 4.155 ( -2.760 2.091 1.692) 3.854 4.167 ( 2.268 -2.884 1.806) 4.089 4.210 ( 2.568 2.605 -2.940) 4.693 4.253 ( -0.601 -4.191 1.818) 4.608 4.307 ( 0.253 0.546 -3.263) 3.318 4.408 ( -1.465 -0.864 -1.866) 2.524 4.441 ( 0.372 0.336 0.277) 0.573 4.489 ( -0.869 1.537 0.624) 1.873 4.502 ( -3.048 -2.422 0.316) 3.905 4.529 ( -2.405 -2.915 -1.819) 4.194 4.659 ( 0.287 -1.754 -1.746) 2.491 4.677 ( -2.164 -3.115 1.495) 4.077 4.731 ( -2.258 0.856 -1.431) 2.807 4.777 ( -1.592 3.127 1.711) 3.904 4.863 ( -1.676 1.236 -0.051) 2.083 4.999 ( 2.091 0.783 0.302) 2.253 5.055 ( 0.646 -2.967 -1.388) 3.339 5.253 ( -1.849 -0.146 6.914) 7.158 5.322 ( 1.416 -2.154 -1.248) 2.863 5.346 ( -0.614 -0.908 0.607) 1.253 5.375 ( 0.937 0.612 -3.465) 3.641 5.606 ( -1.064 0.054 1.405) 1.763 5.644 ( 0.281 0.540 -2.090) 2.176 5.700 ( 1.798 1.199 0.782) 2.298 5.802 ( -1.077 2.526 0.057) 2.746 5.880 ( 0.171 0.292 -0.170) 0.379 5.938 ( -1.277 2.488 1.474) 3.161 6.092 ( 1.442 -1.629 0.832) 2.329 6.115 ( -1.715 -1.333 5.411) 5.830 6.140 ( -1.865 1.426 0.180) 2.355 6.217 ( 2.586 1.510 -5.711) 6.448 6.593 ( 0.189 -0.574 -1.581) 1.692 6.610 ( -0.871 -0.330 -0.934) 1.319 6.680 ( -0.727 4.942 2.905) 5.778 6.740 ( 0.153 2.716 -0.919) 2.872 6.911 ( -0.125 -3.010 0.293) 3.026 6.952 ( 0.525 -2.653 -2.337) 3.574 7.116 ( -0.482 -0.700 1.732) 1.929 7.146 ( 0.595 -1.615 -2.074) 2.695 7.276 ( -0.559 0.637 5.278) 5.345 7.369 ( 1.660 -0.851 -3.668) 4.115 8.047 ( 2.434 14.308 -0.424) 14.520 8.081 ( 0.554 15.129 0.409) 15.145 8.343 ( 0.602 13.618 -2.000) 13.777 8.353 ( -2.634 13.339 2.266) 13.785 8.947 ( -1.401 9.233 3.084) 9.834 8.960 ( 2.259 8.405 -2.849) 9.158 9.340 ( 2.243 6.548 -3.761) 7.878 9.345 ( -3.002 6.729 3.787) 8.284 9.774 ( 0.566 3.924 -0.774) 4.039 9.798 ( -0.575 4.663 -0.257) 4.705 9.841 ( -2.530 2.260 4.841) 5.911 9.873 ( 2.752 3.271 -4.781) 6.413 10.081 ( 2.352 2.793 -1.502) 3.949 10.146 ( -2.939 2.967 2.316) 4.776 10.305 ( 0.266 4.848 1.362) 5.043 10.352 ( -0.521 3.143 0.190) 3.191 10.498 ( 2.154 -3.496 -0.612) 4.152 10.632 ( -2.053 -4.578 -1.817) 5.336 11.094 ( -1.114 4.810 1.841) 5.269 11.136 ( -0.326 4.047 -1.862) 4.467 11.536 ( 6.620 -2.497 -5.499) 8.961 11.542 ( -1.535 -2.433 6.414) 7.030 11.839 ( 0.119 0.769 0.884) 1.178 11.911 ( -0.498 -0.379 -1.410) 1.543 12.248 ( 0.213 -0.726 -0.749) 1.065 12.270 ( -1.210 -1.961 -0.229) 2.316 12.376 ( 4.224 -3.385 -4.702) 7.170 12.387 ( -3.042 -3.348 5.676) 7.259 12.781 ( 1.294 2.658 -1.843) 3.483 12.827 ( -3.251 1.764 1.974) 4.193 13.216 ( 1.760 1.117 0.666) 2.188 13.305 ( -1.092 -2.096 -0.729) 2.473 13.439 ( 1.850 -1.539 3.492) 4.241 13.591 ( 1.274 -4.536 -3.902) 6.118 13.980 ( 1.782 -3.174 2.539) 4.438 14.044 ( -0.144 -5.031 0.696) 5.081 14.517 ( 1.894 1.323 -3.541) 4.228 14.539 ( -2.953 1.849 2.850) 4.501 14.935 ( 2.474 4.695 -3.647) 6.439 15.053 ( -4.913 0.841 0.851) 5.057 16.063 ( 1.868 14.753 0.796) 14.893 16.153 ( -0.393 13.852 -1.063) 13.899 16.449 ( 6.673 7.534 -5.707) 11.570 16.498 ( -3.944 10.210 7.087) 13.039 16.878 ( 1.437 -4.735 0.144) 4.950 16.938 ( -0.555 -3.001 0.244) 3.061 17.518 ( 8.269 -8.868 -9.351) 15.312 17.606 ( -8.357 -5.206 10.345) 14.282 18.266 ( -5.262 17.323 1.515) 18.167 18.303 ( -2.352 17.679 -7.601) 19.387 18.611 ( 5.154 4.821 -0.292) 7.063 18.767 ( -6.492 -1.128 4.783) 8.143 19.478 ( 2.814 -4.312 7.259) 8.899 19.690 ( 3.589 -7.362 -3.395) 8.866 19.790 ( -1.922 -9.584 -2.600) 10.115 19.820 ( -8.239 -10.788 -0.579) 13.587 21.366 ( 7.542 -3.573 -1.723) 8.522 21.399 ( 4.076 -4.625 2.813) 6.776 21.832 ( -1.296 1.998 -0.067) 2.382 21.866 ( -2.565 1.075 -0.350) 2.803 22.601 ( 0.139 -5.542 0.781) 5.598 22.650 ( -0.179 -5.106 -2.241) 5.579 22.752 ( 2.182 -1.625 -0.123) 2.724 22.906 ( -4.068 -7.236 0.022) 8.301 ======================= Grid point 145 (66/70) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 2.848 15.490 -5.104) 16.556 1.625 ( -2.848 15.490 5.104) 16.556 1.708 ( 0.442 15.509 -3.995) 16.021 1.708 ( -0.442 15.509 3.995) 16.021 2.117 ( -0.727 5.034 -1.091) 5.202 2.117 ( 0.727 5.034 1.091) 5.202 2.294 ( -0.436 2.381 -2.087) 3.196 2.294 ( 0.436 2.381 2.087) 3.196 2.430 ( 4.512 4.684 -4.916) 8.153 2.430 ( -4.512 4.684 4.916) 8.153 2.506 ( 1.495 4.785 -1.654) 5.279 2.506 ( -1.495 4.785 1.654) 5.279 2.670 ( 1.598 2.605 -2.395) 3.883 2.670 ( -1.598 2.605 2.395) 3.883 2.820 ( -2.338 -1.930 -2.120) 3.699 2.820 ( 2.338 -1.930 2.120) 3.699 2.871 ( 0.513 -2.801 -3.133) 4.234 2.871 ( -0.513 -2.801 3.133) 4.234 3.075 ( 2.857 -3.761 -3.523) 5.892 3.075 ( -2.857 -3.761 3.523) 5.892 3.246 ( -0.809 5.806 -2.900) 6.540 3.246 ( 0.809 5.806 2.900) 6.540 3.283 ( -1.231 0.026 -1.603) 2.021 3.283 ( 1.231 0.026 1.603) 2.021 3.371 ( 1.637 -5.858 -3.077) 6.816 3.371 ( -1.637 -5.858 3.077) 6.816 3.575 ( -0.814 -4.891 -1.664) 5.230 3.575 ( 0.814 -4.891 1.664) 5.230 3.639 ( -3.603 3.012 -2.761) 5.448 3.639 ( 3.603 3.012 2.761) 5.448 3.692 ( -0.248 -0.069 -1.519) 1.541 3.692 ( 0.248 -0.069 1.519) 1.541 3.862 ( -2.915 -2.434 -0.760) 3.873 3.862 ( 2.915 -2.434 0.760) 3.873 3.890 ( 0.253 2.703 -2.512) 3.699 3.890 ( -0.253 2.703 2.512) 3.699 4.030 ( -0.117 -5.268 -1.759) 5.555 4.030 ( 0.117 -5.268 1.759) 5.555 4.115 ( 2.241 2.758 -2.868) 4.566 4.115 ( -2.241 2.758 2.868) 4.566 4.229 ( 1.493 -2.196 -0.610) 2.724 4.229 ( -1.493 -2.196 0.610) 2.724 4.263 ( 0.181 -0.173 -4.580) 4.587 4.263 ( -0.181 -0.173 4.580) 4.587 4.402 ( -3.070 -0.708 -0.020) 3.151 4.402 ( 3.070 -0.708 0.020) 3.151 4.463 ( -1.444 0.797 -0.989) 1.923 4.463 ( 1.444 0.797 0.989) 1.923 4.587 ( -4.181 0.024 -2.771) 5.016 4.587 ( 4.181 0.024 2.771) 5.016 4.681 ( 1.007 -1.705 -1.358) 2.401 4.681 ( -1.007 -1.705 1.358) 2.401 4.819 ( -2.024 1.504 -2.000) 3.218 4.819 ( 2.024 1.504 2.000) 3.218 5.035 ( -0.956 -1.290 -1.060) 1.924 5.035 ( 0.956 -1.290 1.060) 1.924 5.305 ( 4.597 -1.035 -9.460) 10.569 5.305 ( -4.597 -1.035 9.460) 10.569 5.353 ( 2.699 -0.887 -4.767) 5.550 5.353 ( -2.699 -0.887 4.767) 5.550 5.619 ( 1.103 0.122 -3.262) 3.446 5.619 ( -1.103 0.122 3.262) 3.446 5.754 ( -2.543 1.296 -1.500) 3.224 5.754 ( 2.543 1.296 1.500) 3.224 5.911 ( -2.292 1.673 -0.447) 2.873 5.911 ( 2.292 1.673 0.447) 2.873 6.111 ( 1.298 0.963 -1.930) 2.518 6.111 ( -1.298 0.963 1.930) 2.518 6.175 ( 2.578 -0.022 -8.969) 9.333 6.175 ( -2.578 -0.022 8.969) 9.333 6.591 ( 0.797 -0.663 -0.543) 1.171 6.591 ( -0.797 -0.663 0.543) 1.171 6.712 ( 0.041 3.675 -3.400) 5.007 6.712 ( -0.041 3.675 3.400) 5.007 6.927 ( 0.659 -2.992 -2.943) 4.248 6.927 ( -0.659 -2.992 2.943) 4.248 7.131 ( 0.611 -1.263 -2.266) 2.665 7.131 ( -0.611 -1.263 2.266) 2.665 7.333 ( 0.628 0.065 -5.549) 5.585 7.333 ( -0.628 0.065 5.549) 5.585 8.078 ( 0.557 14.494 -1.296) 14.562 8.078 ( -0.557 14.494 1.296) 14.562 8.339 ( 3.196 13.865 -4.386) 14.889 8.339 ( -3.196 13.865 4.386) 14.889 8.958 ( 1.478 9.081 -2.951) 9.662 8.958 ( -1.478 9.081 2.951) 9.662 9.339 ( 6.981 6.520 -10.185) 13.964 9.339 ( -6.981 6.520 10.185) 13.964 9.783 ( 2.860 4.257 -4.413) 6.766 9.783 ( -2.860 4.257 4.413) 6.766 9.858 ( 2.737 3.373 -5.755) 7.210 9.858 ( -2.737 3.373 5.755) 7.210 10.114 ( 2.308 2.039 -1.818) 3.576 10.114 ( -2.308 2.039 1.818) 3.576 10.328 ( 1.227 3.251 -3.255) 4.761 10.328 ( -1.227 3.251 3.255) 4.761 10.562 ( -2.754 -2.825 -2.652) 4.754 10.562 ( 2.754 -2.825 2.652) 4.754 11.108 ( 2.224 4.518 -4.627) 6.839 11.108 ( -2.224 4.518 4.627) 6.839 11.565 ( 4.755 -2.947 -6.722) 8.746 11.565 ( -4.755 -2.947 6.722) 8.746 11.871 ( -0.890 0.550 -2.341) 2.564 11.871 ( 0.890 0.550 2.341) 2.564 12.251 ( -0.707 -1.019 -0.029) 1.241 12.251 ( 0.707 -1.019 0.029) 1.241 12.389 ( 3.926 -3.247 -5.138) 7.235 12.389 ( -3.926 -3.247 5.138) 7.235 12.796 ( 2.212 2.149 -2.393) 3.904 12.796 ( -2.212 2.149 2.393) 3.904 13.265 ( -2.032 -0.744 -1.533) 2.652 13.265 ( 2.032 -0.744 1.533) 2.652 13.527 ( 0.658 -3.025 -7.705) 8.304 13.527 ( -0.658 -3.025 7.705) 8.304 14.030 ( 0.594 -4.549 -2.882) 5.418 14.030 ( -0.594 -4.549 2.882) 5.418 14.521 ( 4.245 1.799 -5.454) 7.142 14.521 ( -4.245 1.799 5.454) 7.142 14.975 ( -3.612 3.164 0.389) 4.817 14.975 ( 3.612 3.164 -0.389) 4.817 16.114 ( -1.848 13.984 -2.041) 14.253 16.114 ( 1.848 13.984 2.041) 14.253 16.490 ( 5.827 9.119 -6.084) 12.415 16.490 ( -5.827 9.119 6.084) 12.415 16.913 ( -1.770 -3.973 -0.800) 4.422 16.913 ( 1.770 -3.973 0.800) 4.422 17.564 ( 9.391 -7.449 -9.140) 15.074 17.564 ( -9.391 -7.449 9.140) 15.074 18.235 ( 2.904 19.413 -5.158) 20.296 18.235 ( -2.904 19.413 5.158) 20.296 18.694 ( 0.632 1.295 -2.328) 2.738 18.694 ( -0.632 1.295 2.328) 2.738 19.637 ( -3.265 -5.471 -9.209) 11.198 19.637 ( 3.265 -5.471 9.209) 11.198 19.737 ( 1.639 -11.096 -5.127) 12.333 19.737 ( -1.639 -11.096 5.127) 12.333 21.438 ( 3.026 -5.126 -2.300) 6.382 21.438 ( -3.026 -5.126 2.300) 6.382 21.829 ( 1.542 2.291 -2.718) 3.874 21.829 ( -1.542 2.291 2.718) 3.874 22.619 ( 0.155 -4.825 -2.409) 5.395 22.619 ( -0.155 -4.825 2.409) 5.395 22.823 ( -4.376 -4.723 -1.528) 6.617 22.823 ( 4.376 -4.723 1.528) 6.617 ======================= Grid point 149 (67/70) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 2.741 7.302 -2.764) 8.275 1.901 ( -2.741 7.302 2.764) 8.275 2.098 ( -3.097 4.584 -3.823) 6.724 2.098 ( 3.097 4.584 3.823) 6.724 2.204 ( 1.537 9.233 -3.202) 9.893 2.204 ( -1.537 9.233 3.202) 9.893 2.396 ( 1.171 1.482 -4.802) 5.160 2.396 ( -1.171 1.482 4.802) 5.160 2.463 ( 2.008 2.455 -1.193) 3.388 2.463 ( -2.008 2.455 1.193) 3.388 2.560 ( -0.293 -3.985 -0.754) 4.067 2.560 ( 0.293 -3.985 0.754) 4.067 2.683 ( 0.945 -1.981 -1.821) 2.851 2.683 ( -0.945 -1.981 1.821) 2.851 2.767 ( -1.639 -1.360 -0.831) 2.286 2.767 ( 1.639 -1.360 0.831) 2.286 2.831 ( 1.199 1.727 -2.801) 3.502 2.831 ( -1.199 1.727 2.801) 3.502 3.000 ( -0.708 -2.375 -3.092) 3.963 3.000 ( 0.708 -2.375 3.092) 3.963 3.137 ( 0.692 -7.752 -4.997) 9.249 3.137 ( -0.692 -7.752 4.997) 9.249 3.355 ( -0.031 0.071 -2.769) 2.770 3.355 ( 0.031 0.071 2.769) 2.770 3.386 ( -0.563 0.146 -2.383) 2.453 3.386 ( 0.563 0.146 2.383) 2.453 3.544 ( -0.241 6.835 -1.338) 6.969 3.544 ( 0.241 6.835 1.338) 6.969 3.646 ( -1.820 6.518 -4.209) 7.970 3.646 ( 1.820 6.518 4.209) 7.970 3.737 ( 0.816 -2.514 -2.490) 3.632 3.737 ( -0.816 -2.514 2.490) 3.632 3.833 ( -2.379 -2.695 -2.124) 4.175 3.833 ( 2.379 -2.695 2.124) 4.175 3.876 ( 0.597 0.562 -0.919) 1.232 3.876 ( -0.597 0.562 0.919) 1.232 3.983 ( -1.973 -5.609 -1.833) 6.222 3.983 ( 1.973 -5.609 1.833) 6.222 4.054 ( 1.587 0.552 -2.676) 3.159 4.054 ( -1.587 0.552 2.676) 3.159 4.139 ( -0.076 -0.222 -2.003) 2.016 4.139 ( 0.076 -0.222 2.003) 2.016 4.292 ( -0.036 -1.061 -1.526) 1.859 4.292 ( 0.036 -1.061 1.526) 1.859 4.437 ( 0.431 -0.664 -4.522) 4.591 4.437 ( -0.431 -0.664 4.522) 4.591 4.536 ( -3.577 0.184 -2.782) 4.535 4.536 ( 3.577 0.184 2.782) 4.535 4.579 ( 0.384 -0.751 -2.847) 2.969 4.579 ( -0.384 -0.751 2.847) 2.969 4.700 ( -1.893 -0.254 0.227) 1.924 4.700 ( 1.893 -0.254 -0.227) 1.924 4.938 ( 3.427 0.289 -1.581) 3.785 4.938 ( -3.427 0.289 1.581) 3.785 5.000 ( -1.983 1.909 0.043) 2.752 5.000 ( 1.983 1.909 -0.043) 2.752 5.201 ( 3.478 -2.091 -4.985) 6.428 5.201 ( -3.478 -2.091 4.985) 6.428 5.419 ( 4.700 0.726 -6.761) 8.266 5.419 ( -4.700 0.726 6.761) 8.266 5.648 ( -0.600 0.037 0.085) 0.607 5.648 ( 0.600 0.037 -0.085) 0.607 5.804 ( -1.613 3.461 -2.241) 4.427 5.804 ( 1.613 3.461 2.241) 4.427 5.917 ( -0.620 -1.208 -0.915) 1.637 5.917 ( 0.620 -1.208 0.915) 1.637 5.987 ( 1.201 -1.953 -1.181) 2.579 5.987 ( -1.201 -1.953 1.181) 2.579 6.246 ( 1.533 1.133 -1.223) 2.265 6.246 ( -1.533 1.133 1.223) 2.265 6.644 ( 0.306 -0.335 -2.709) 2.747 6.644 ( -0.306 -0.335 2.709) 2.747 6.746 ( 2.867 1.779 -3.738) 5.036 6.746 ( -2.867 1.779 3.738) 5.036 6.903 ( -0.443 -1.175 -0.196) 1.271 6.903 ( 0.443 -1.175 0.196) 1.271 7.119 ( -0.416 -0.312 0.004) 0.520 7.119 ( 0.416 -0.312 -0.004) 0.520 7.292 ( 4.791 -0.159 -2.819) 5.561 7.292 ( -4.791 -0.159 2.819) 5.561 8.248 ( 2.168 5.673 -5.641) 8.289 8.248 ( -2.168 5.673 5.641) 8.289 8.578 ( 1.448 6.345 -2.622) 7.017 8.578 ( -1.448 6.345 2.622) 7.017 9.063 ( 2.920 3.079 -5.960) 7.316 9.063 ( -2.920 3.079 5.960) 7.316 9.448 ( 3.057 2.622 -5.678) 6.961 9.448 ( -3.057 2.622 5.678) 6.961 9.848 ( 1.803 0.186 -2.800) 3.335 9.848 ( -1.803 0.186 2.800) 3.335 9.883 ( 1.292 2.117 -1.360) 2.829 9.883 ( -1.292 2.117 1.360) 2.829 10.159 ( 0.312 0.290 -3.020) 3.050 10.159 ( -0.312 0.290 3.020) 3.050 10.378 ( 1.345 1.490 -1.417) 2.457 10.378 ( -1.345 1.490 1.417) 2.457 10.503 ( -2.611 -2.484 -0.783) 3.688 10.503 ( 2.611 -2.484 0.783) 3.688 11.193 ( 2.769 1.530 -3.333) 4.595 11.193 ( -2.769 1.530 3.333) 4.595 11.448 ( 3.306 -0.414 -4.987) 5.998 11.448 ( -3.306 -0.414 4.987) 5.998 11.880 ( -0.629 0.066 -1.740) 1.851 11.880 ( 0.629 0.066 1.740) 1.851 12.251 ( 1.010 -0.818 -1.612) 2.070 12.251 ( -1.010 -0.818 1.612) 2.070 12.304 ( 3.209 -1.049 -5.233) 6.227 12.304 ( -3.209 -1.049 5.233) 6.227 12.869 ( 2.682 1.317 -5.325) 6.106 12.869 ( -2.682 1.317 5.325) 6.106 13.251 ( -0.247 -1.122 -1.399) 1.810 13.251 ( 0.247 -1.122 1.399) 1.810 13.432 ( 3.651 -0.177 -7.083) 7.970 13.432 ( -3.651 -0.177 7.083) 7.970 13.917 ( 1.854 -1.437 -4.063) 4.691 13.917 ( -1.854 -1.437 4.063) 4.691 14.559 ( 2.957 0.228 -5.528) 6.273 14.559 ( -2.957 0.228 5.528) 6.273 15.051 ( 1.731 -0.858 -5.817) 6.130 15.051 ( -1.731 -0.858 5.817) 6.130 16.405 ( -2.104 15.258 -0.857) 15.426 16.405 ( 2.104 15.258 0.857) 15.426 16.593 ( 1.812 3.135 -5.655) 6.716 16.593 ( -1.812 3.135 5.655) 6.716 16.754 ( -1.060 -7.404 -2.561) 7.905 16.754 ( 1.060 -7.404 2.561) 7.905 17.428 ( 4.504 -4.730 -13.503) 14.999 17.428 ( -4.504 -4.730 13.503) 14.999 18.540 ( 2.895 1.295 -6.588) 7.311 18.540 ( -2.895 1.295 6.588) 7.311 18.863 ( 5.812 10.008 -9.381) 14.898 18.863 ( -5.812 10.008 9.381) 14.898 19.360 ( -4.081 -8.523 -2.682) 9.823 19.360 ( 4.081 -8.523 2.682) 9.823 19.820 ( 3.881 -1.426 -11.966) 12.660 19.820 ( -3.881 -1.426 11.966) 12.660 21.190 ( 0.728 -0.652 -1.568) 1.847 21.190 ( -0.728 -0.652 1.568) 1.847 21.908 ( 1.170 0.550 -2.030) 2.406 21.908 ( -1.170 0.550 2.030) 2.406 22.520 ( -1.081 -2.588 -1.202) 3.051 22.520 ( 1.081 -2.588 1.202) 3.051 22.813 ( -0.155 -2.015 -2.105) 2.918 22.813 ( 0.155 -2.015 2.105) 2.918 ======================= Grid point 151 (68/70) ======================= q-point: ( 0.17 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -3.054 7.631 0.139) 8.221 1.915 ( 2.467 6.872 -3.798) 8.230 2.033 ( -2.272 3.961 -0.177) 4.570 2.146 ( -3.006 7.512 -2.786) 8.558 2.197 ( -1.186 9.062 2.724) 9.537 2.214 ( 2.667 6.036 2.165) 6.945 2.343 ( -2.015 4.618 -0.478) 5.061 2.410 ( -2.573 1.230 1.291) 3.131 2.448 ( -0.267 4.060 0.588) 4.111 2.475 ( 4.071 -2.675 -5.055) 7.020 2.549 ( -1.228 -2.526 1.920) 3.402 2.614 ( 0.926 -3.744 2.699) 4.707 2.658 ( -1.868 -0.848 0.901) 2.241 2.682 ( -1.873 -4.539 0.840) 4.982 2.707 ( -2.285 1.188 -2.027) 3.277 2.807 ( 0.601 1.205 0.134) 1.353 2.808 ( 2.128 -1.558 1.228) 2.909 2.859 ( 2.258 -0.340 -2.623) 3.478 2.966 ( -0.619 -0.416 -0.198) 0.772 3.030 ( -1.909 -1.636 3.225) 4.089 3.109 ( 2.003 -6.143 -3.920) 7.557 3.187 ( -0.482 -7.491 5.068) 9.057 3.319 ( 0.233 0.328 -1.715) 1.762 3.354 ( -2.332 -1.124 3.017) 3.976 3.391 ( 2.722 -2.072 -3.814) 5.124 3.471 ( 4.680 7.393 -4.698) 9.931 3.493 ( -0.234 3.370 -1.786) 3.821 3.553 ( -0.369 3.592 -2.150) 4.202 3.569 ( 1.850 -0.981 -1.627) 2.652 3.678 ( -2.017 7.359 0.661) 7.659 3.722 ( -1.322 -0.478 -2.696) 3.041 3.745 ( -0.344 -0.954 0.126) 1.022 3.780 ( 0.770 -3.484 0.505) 3.604 3.811 ( -2.999 -3.212 -0.055) 4.395 3.868 ( -1.115 0.605 1.109) 1.685 3.945 ( -0.491 2.597 3.675) 4.526 3.968 ( -1.892 -6.345 2.109) 6.949 4.018 ( -0.226 -2.847 -0.048) 2.856 4.054 ( -1.966 0.044 6.584) 6.871 4.083 ( 2.670 0.256 1.605) 3.126 4.139 ( 4.980 0.778 -3.831) 6.331 4.192 ( 3.133 -0.589 0.507) 3.228 4.262 ( -1.594 0.953 0.115) 1.861 4.336 ( 2.717 -1.835 0.916) 3.404 4.384 ( 0.450 -0.351 -6.066) 6.093 4.427 ( -1.647 -0.960 -3.175) 3.703 4.494 ( -1.352 -0.853 3.179) 3.559 4.529 ( -2.350 -1.199 -1.641) 3.107 4.563 ( -3.631 0.400 1.248) 3.861 4.616 ( 2.239 -0.176 1.916) 2.952 4.671 ( -2.490 -0.248 0.893) 2.656 4.729 ( 0.951 -0.032 0.678) 1.168 4.899 ( -2.732 0.882 0.461) 2.907 4.933 ( -3.235 2.187 -1.407) 4.150 4.982 ( 1.908 -0.679 -0.922) 2.226 5.017 ( 0.686 0.861 -0.808) 1.365 5.205 ( -0.673 -0.473 3.119) 3.226 5.231 ( 2.163 -2.738 0.292) 3.502 5.400 ( -3.792 1.589 3.135) 5.170 5.415 ( 1.510 0.227 -3.572) 3.885 5.615 ( -2.145 -0.198 -0.351) 2.183 5.641 ( -1.312 -0.866 -0.233) 1.589 5.763 ( -0.102 3.118 -1.961) 3.685 5.848 ( 1.276 2.032 0.480) 2.447 5.900 ( -0.786 0.857 0.123) 1.169 5.948 ( 0.885 -1.185 1.240) 1.930 6.001 ( -0.280 -0.990 4.607) 4.721 6.018 ( 2.086 -2.569 0.419) 3.335 6.216 ( -2.276 1.256 0.471) 2.642 6.264 ( 2.075 1.230 -2.243) 3.294 6.603 ( -0.249 -0.570 -3.716) 3.768 6.641 ( -1.369 -0.053 -0.554) 1.478 6.747 ( -2.111 2.028 3.520) 4.578 6.767 ( 2.102 1.255 -0.509) 2.501 6.887 ( -0.338 -0.654 -1.485) 1.658 6.906 ( 0.322 -1.992 -0.833) 2.183 7.110 ( -0.337 0.097 0.058) 0.356 7.125 ( 0.430 -0.956 -1.015) 1.459 7.264 ( -3.265 0.423 4.988) 5.977 7.340 ( 4.349 -0.355 -2.842) 5.208 8.236 ( 3.705 5.511 -4.928) 8.269 8.282 ( -1.497 5.739 5.272) 7.936 8.570 ( 0.964 6.201 -2.331) 6.695 8.580 ( -1.805 6.639 2.471) 7.310 9.053 ( 3.660 2.582 -5.382) 7.002 9.084 ( -2.583 3.438 5.525) 7.002 9.441 ( 3.620 3.007 -5.285) 7.077 9.464 ( -2.910 3.368 5.660) 7.200 9.827 ( -1.067 0.751 -0.595) 1.434 9.851 ( 0.093 -0.513 -0.593) 0.790 9.874 ( -1.170 1.478 1.321) 2.301 9.894 ( 1.193 1.289 -1.368) 2.226 10.136 ( 0.517 1.055 -1.975) 2.298 10.183 ( -1.243 -0.013 2.965) 3.215 10.365 ( -1.103 1.454 0.552) 1.907 10.383 ( 0.292 0.271 -1.057) 1.130 10.458 ( -1.189 -0.407 0.154) 1.266 10.550 ( 2.410 -2.990 -0.988) 3.966 11.179 ( -2.451 2.117 2.622) 4.167 11.202 ( 1.718 1.304 -2.401) 3.227 11.463 ( 3.449 -0.550 -2.371) 4.221 11.466 ( -0.216 -0.745 3.216) 3.309 11.855 ( -0.046 0.329 -1.322) 1.363 11.904 ( 0.025 -0.206 1.234) 1.252 12.243 ( 0.178 -0.433 -1.026) 1.127 12.249 ( -0.620 -1.049 0.322) 1.260 12.310 ( 4.121 -1.131 -4.622) 6.295 12.322 ( -2.073 -0.936 5.380) 5.841 12.847 ( 1.727 1.600 -4.711) 5.266 12.874 ( -3.574 0.900 4.689) 5.964 13.229 ( -0.189 0.013 -1.231) 1.246 13.263 ( -0.416 -1.688 1.080) 2.047 13.418 ( 2.013 2.096 -2.139) 3.609 13.479 ( 1.816 -3.360 1.201) 4.004 13.913 ( 1.416 -0.296 -0.872) 1.689 13.943 ( -0.610 -2.575 3.260) 4.199 14.543 ( 2.827 0.227 -5.566) 6.246 14.566 ( -3.599 0.269 5.238) 6.360 15.007 ( 1.480 0.076 -6.062) 6.241 15.068 ( -3.298 -1.249 4.520) 5.733 16.378 ( -0.623 15.939 0.174) 15.952 16.458 ( 2.702 14.771 0.593) 15.028 16.567 ( 3.174 4.347 -5.756) 7.880 16.630 ( -0.560 0.666 4.336) 4.422 16.720 ( -0.386 -7.256 -1.197) 7.364 16.808 ( 0.951 -6.545 3.168) 7.334 17.358 ( 5.435 -5.382 -12.493) 14.648 17.488 ( -6.519 -4.443 12.526) 14.803 18.517 ( 1.972 3.287 -3.515) 5.201 18.587 ( 0.504 1.414 3.964) 4.239 18.781 ( -4.669 11.495 -2.137) 12.590 18.866 ( -1.371 5.857 -2.135) 6.383 19.305 ( -0.528 -5.632 0.650) 5.694 19.460 ( 3.282 -9.614 2.791) 10.535 19.711 ( -0.681 -1.990 -10.338) 10.550 19.830 ( -10.004 -1.945 10.067) 14.325 21.229 ( 5.501 -0.746 -1.378) 5.720 21.242 ( 3.770 -1.133 2.214) 4.517 21.892 ( -0.661 1.272 -0.920) 1.704 21.905 ( -1.138 0.085 0.509) 1.249 22.501 ( -0.012 -2.671 -0.407) 2.702 22.555 ( 1.356 -2.536 0.756) 2.974 22.773 ( -1.225 0.397 -2.223) 2.570 22.820 ( -1.415 -3.860 0.919) 4.213 ======================= Grid point 152 (69/70) ======================= q-point: ( 0.33 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -1.417 6.753 1.646) 7.093 1.896 ( 1.316 6.357 -5.376) 8.429 2.004 ( -2.166 7.644 1.483) 8.082 2.055 ( -2.735 8.192 -3.055) 9.161 2.197 ( -0.248 6.409 0.833) 6.468 2.263 ( -0.525 2.174 -0.783) 2.370 2.290 ( -0.546 7.264 -0.560) 7.306 2.381 ( -2.425 -0.029 -0.339) 2.449 2.472 ( 1.711 -3.264 -3.152) 4.849 2.492 ( 0.934 2.526 4.741) 5.452 2.532 ( -1.824 2.242 0.616) 2.955 2.625 ( -3.468 0.568 3.474) 4.942 2.644 ( -2.075 -4.089 1.503) 4.825 2.661 ( 1.293 -1.084 -5.307) 5.569 2.706 ( 3.475 -4.787 3.387) 6.816 2.806 ( -1.107 -1.767 1.211) 2.411 2.866 ( 3.827 -1.405 -4.177) 5.837 2.892 ( 1.595 5.680 2.416) 6.375 2.967 ( 0.265 1.645 1.623) 2.327 3.019 ( -1.982 -3.006 1.581) 3.932 3.111 ( 2.580 -5.970 -2.314) 6.903 3.217 ( -2.990 -6.278 3.616) 7.838 3.298 ( -0.256 1.906 -1.238) 2.288 3.347 ( 0.791 1.398 -1.502) 2.199 3.398 ( 1.298 -5.198 -0.939) 5.439 3.426 ( -0.224 2.066 -4.033) 4.537 3.477 ( 1.420 1.346 -2.741) 3.367 3.562 ( 3.086 0.091 -0.445) 3.119 3.589 ( -5.575 7.355 -0.716) 9.257 3.655 ( 3.911 -1.648 -1.198) 4.410 3.670 ( -2.851 -0.302 1.562) 3.264 3.740 ( 0.221 0.352 -2.655) 2.687 3.765 ( -1.743 -2.842 1.184) 3.538 3.835 ( 3.120 -2.539 1.400) 4.259 3.862 ( -0.184 -0.346 -0.291) 0.488 3.898 ( -5.895 -6.306 0.634) 8.656 3.951 ( -1.768 -1.445 2.274) 3.222 4.009 ( -0.957 -0.426 -0.716) 1.269 4.135 ( 2.035 1.538 4.475) 5.151 4.154 ( 3.022 3.048 1.994) 4.733 4.185 ( 3.528 -0.382 -1.516) 3.859 4.233 ( -0.406 2.240 0.826) 2.422 4.247 ( 0.147 0.892 0.465) 1.017 4.315 ( -0.057 -0.535 -5.735) 5.760 4.363 ( 1.891 -1.510 -2.257) 3.309 4.428 ( 0.666 -2.083 1.673) 2.754 4.467 ( -2.192 -0.788 0.029) 2.330 4.502 ( -1.755 1.475 -0.374) 2.323 4.529 ( -0.300 0.304 2.717) 2.751 4.646 ( -2.077 0.353 1.565) 2.624 4.650 ( 0.661 0.581 0.068) 0.883 4.728 ( -1.375 -0.701 -1.807) 2.377 4.843 ( -3.017 2.626 0.024) 4.000 4.878 ( -2.245 -0.280 0.056) 2.263 4.999 ( 1.118 -1.239 -0.570) 1.763 5.014 ( 0.494 -0.433 -1.145) 1.320 5.239 ( -0.640 0.074 4.270) 4.319 5.266 ( 1.806 -2.121 -0.635) 2.857 5.372 ( -5.621 1.677 6.305) 8.612 5.393 ( 3.310 0.232 -7.235) 7.960 5.588 ( -0.286 -0.993 -0.376) 1.100 5.616 ( -2.163 -1.416 1.153) 2.831 5.767 ( 1.788 3.413 0.149) 3.856 5.865 ( 0.900 -1.400 0.512) 1.741 5.875 ( -1.602 3.893 -1.554) 4.487 5.951 ( -0.879 -1.983 -1.180) 2.469 6.063 ( 1.849 -0.951 2.040) 2.913 6.077 ( 1.169 -0.684 6.032) 6.182 6.186 ( -2.182 1.526 1.107) 2.884 6.257 ( 1.386 1.409 -4.548) 4.958 6.569 ( 0.831 -0.880 -2.891) 3.134 6.602 ( -2.052 -0.265 -0.689) 2.181 6.755 ( -1.568 2.139 3.428) 4.334 6.788 ( 1.226 1.355 -1.299) 2.242 6.864 ( -0.080 -1.109 -1.171) 1.615 6.893 ( -0.340 -2.351 -1.316) 2.716 7.109 ( -0.131 -0.006 0.298) 0.325 7.117 ( 0.114 -0.933 -0.770) 1.215 7.293 ( -1.435 0.570 6.246) 6.434 7.360 ( 2.883 -0.165 -4.342) 5.215 8.258 ( 4.741 5.382 -4.007) 8.216 8.304 ( -2.556 5.672 4.267) 7.543 8.562 ( 1.325 6.372 -2.232) 6.880 8.574 ( -2.179 6.842 2.412) 7.575 9.063 ( 4.261 2.403 -4.610) 6.722 9.095 ( -3.238 3.255 4.720) 6.585 9.449 ( 4.166 4.131 -4.882) 7.633 9.473 ( -3.556 4.630 5.269) 7.864 9.812 ( -0.235 0.112 0.066) 0.269 9.840 ( -0.428 -0.570 -0.954) 1.191 9.874 ( -0.899 0.386 1.665) 1.931 9.891 ( 0.763 -0.230 -1.906) 2.066 10.134 ( 1.200 1.697 -0.948) 2.284 10.178 ( -2.368 0.728 1.628) 2.965 10.357 ( -0.217 0.955 -0.081) 0.983 10.367 ( -0.634 -0.052 -0.483) 0.799 10.474 ( 1.157 -0.077 1.942) 2.262 10.555 ( 0.563 -2.268 -2.415) 3.361 11.173 ( -2.103 2.296 3.122) 4.409 11.195 ( 1.244 1.599 -3.129) 3.728 11.499 ( 2.712 -0.875 -0.841) 2.971 11.503 ( 0.751 -1.216 1.917) 2.392 11.854 ( 1.114 0.477 -0.447) 1.292 11.903 ( -1.228 -0.309 0.346) 1.313 12.236 ( 0.555 -0.384 -1.236) 1.409 12.241 ( -1.055 -0.724 0.869) 1.547 12.330 ( 4.438 -1.043 -4.619) 6.490 12.345 ( -2.437 -0.889 4.943) 5.582 12.828 ( 2.262 1.464 -4.121) 4.924 12.857 ( -4.187 0.891 3.900) 5.791 13.227 ( 0.884 0.159 -0.034) 0.898 13.262 ( -0.757 -1.419 0.503) 1.686 13.444 ( 2.650 1.686 -0.438) 3.171 13.503 ( 0.659 -3.698 -0.819) 3.844 13.937 ( 1.779 -0.799 -0.083) 1.952 13.961 ( -1.079 -2.681 2.290) 3.687 14.534 ( 3.575 0.370 -5.393) 6.481 14.558 ( -4.436 0.290 5.220) 6.857 14.980 ( 3.108 0.558 -4.874) 5.808 15.045 ( -4.739 -0.747 3.388) 5.873 16.388 ( 0.401 15.541 1.822) 15.652 16.469 ( 0.109 14.719 -2.821) 14.987 16.592 ( 4.990 3.056 -2.483) 6.356 16.659 ( -1.558 1.719 2.845) 3.671 16.725 ( 2.654 -8.350 -0.348) 8.768 16.833 ( -1.915 -5.023 1.989) 5.732 17.349 ( 8.903 -5.708 -10.011) 14.563 17.482 ( -9.628 -4.684 10.232) 14.809 18.531 ( 3.861 6.845 -2.552) 8.263 18.635 ( -0.181 8.082 2.345) 8.417 18.688 ( -3.722 5.723 0.123) 6.828 18.794 ( -3.136 2.755 -2.850) 5.054 19.347 ( 2.634 -5.924 2.750) 7.042 19.498 ( -0.538 -10.311 -1.489) 10.432 19.616 ( 1.933 -1.707 -6.039) 6.566 19.739 ( -11.511 -1.919 6.894) 13.554 21.313 ( 6.114 -1.433 -1.950) 6.576 21.331 ( 2.576 -1.772 2.791) 4.190 21.873 ( -0.132 1.561 -1.053) 1.888 21.886 ( -1.851 0.523 0.787) 2.078 22.510 ( 0.921 -2.614 0.584) 2.832 22.566 ( 0.001 -2.409 -1.043) 2.625 22.744 ( 0.048 0.768 -0.597) 0.973 22.794 ( -2.203 -3.672 0.156) 4.285 ======================= Grid point 153 (70/70) ======================= q-point: (-0.50 0.44 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 1.006 6.077 -5.177) 8.046 1.849 ( -1.006 6.077 5.177) 8.046 2.004 ( 0.395 9.647 -2.572) 9.991 2.004 ( -0.395 9.647 2.572) 9.991 2.215 ( 0.875 3.836 -2.911) 4.894 2.215 ( -0.875 3.836 2.911) 4.894 2.328 ( -2.640 2.057 -0.974) 3.485 2.328 ( 2.640 2.057 0.974) 3.485 2.482 ( 2.339 -1.235 -3.246) 4.188 2.482 ( -2.339 -1.235 3.246) 4.188 2.585 ( -2.544 4.240 -2.307) 5.457 2.585 ( 2.544 4.240 2.307) 5.457 2.637 ( 2.033 -5.239 -4.059) 6.932 2.637 ( -2.033 -5.239 4.059) 6.932 2.792 ( 0.278 -1.694 -1.812) 2.495 2.792 ( -0.278 -1.694 1.812) 2.495 2.883 ( -2.053 3.049 0.414) 3.699 2.883 ( 2.053 3.049 -0.414) 3.699 3.004 ( 0.023 -1.121 -2.025) 2.314 3.004 ( -0.023 -1.121 2.025) 2.314 3.160 ( -2.431 -4.395 -1.245) 5.175 3.160 ( 2.431 -4.395 1.245) 5.175 3.320 ( 0.346 -0.332 -4.466) 4.492 3.320 ( -0.346 -0.332 4.466) 4.492 3.405 ( 1.179 -3.468 -2.621) 4.504 3.405 ( -1.179 -3.468 2.621) 4.504 3.495 ( -4.134 6.886 0.695) 8.062 3.495 ( 4.134 6.886 -0.695) 8.062 3.626 ( -2.392 -2.756 -0.355) 3.667 3.626 ( 2.392 -2.756 0.355) 3.667 3.700 ( -0.352 0.137 -2.303) 2.334 3.700 ( 0.352 0.137 2.303) 2.334 3.793 ( -2.905 -3.910 -1.043) 4.982 3.793 ( 2.905 -3.910 1.043) 4.982 3.884 ( 1.337 -2.373 -1.646) 3.183 3.884 ( -1.337 -2.373 1.646) 3.183 3.967 ( -0.818 -1.012 -2.235) 2.586 3.967 ( 0.818 -1.012 2.235) 2.586 4.194 ( 0.876 -0.420 -2.137) 2.348 4.194 ( -0.876 -0.420 2.137) 2.348 4.209 ( -1.042 4.023 -1.648) 4.470 4.209 ( 1.042 4.023 1.648) 4.470 4.269 ( 0.401 -0.387 -3.024) 3.075 4.269 ( -0.401 -0.387 3.024) 3.075 4.393 ( -1.543 -0.227 0.066) 1.561 4.393 ( 1.543 -0.227 -0.066) 1.561 4.472 ( -0.292 0.524 -1.373) 1.498 4.472 ( 0.292 0.524 1.373) 1.498 4.611 ( -3.571 1.906 -2.788) 4.915 4.611 ( 3.571 1.906 2.788) 4.915 4.660 ( -1.555 -0.800 -0.477) 1.813 4.660 ( 1.555 -0.800 0.477) 1.813 4.843 ( -0.866 0.518 -1.276) 1.627 4.843 ( 0.866 0.518 1.276) 1.627 5.008 ( -0.012 -1.185 -0.637) 1.346 5.008 ( 0.012 -1.185 0.637) 1.346 5.268 ( 5.412 -0.946 -8.548) 10.161 5.268 ( -5.412 -0.946 8.548) 10.161 5.369 ( 5.393 0.775 -9.279) 10.760 5.369 ( -5.393 0.775 9.279) 10.760 5.595 ( 1.898 -1.276 -2.531) 3.412 5.595 ( -1.898 -1.276 2.531) 3.412 5.817 ( -2.572 3.928 -1.794) 5.026 5.817 ( 2.572 3.928 1.794) 5.026 5.905 ( -1.697 -2.366 -2.125) 3.604 5.905 ( 1.697 -2.366 2.125) 3.604 6.111 ( -0.558 -0.087 -1.909) 1.991 6.111 ( 0.558 -0.087 1.909) 1.991 6.206 ( 0.994 1.438 -7.226) 7.434 6.206 ( -0.994 1.438 7.226) 7.434 6.569 ( 1.873 -0.759 -1.248) 2.375 6.569 ( -1.873 -0.759 1.248) 2.375 6.774 ( 1.146 1.921 -3.747) 4.364 6.774 ( -1.146 1.921 3.747) 4.364 6.870 ( -0.529 -2.014 -1.076) 2.344 6.870 ( 0.529 -2.014 1.076) 2.344 7.112 ( 0.144 -0.453 -0.551) 0.727 7.112 ( -0.144 -0.453 0.551) 0.727 7.339 ( 1.668 0.239 -5.911) 6.146 7.339 ( -1.668 0.239 5.911) 6.146 8.292 ( 4.215 5.469 -3.769) 7.866 8.292 ( -4.215 5.469 3.769) 7.866 8.565 ( 2.264 6.727 -2.735) 7.606 8.565 ( -2.264 6.727 2.735) 7.606 9.084 ( 4.077 2.719 -4.300) 6.520 9.084 ( -4.077 2.719 4.300) 6.520 9.465 ( 4.192 4.986 -4.850) 8.121 9.465 ( -4.192 4.986 4.850) 8.121 9.820 ( 1.503 -0.367 -2.901) 3.287 9.820 ( -1.503 -0.367 2.901) 3.287 9.881 ( 0.815 -0.605 -2.043) 2.282 9.881 ( -0.815 -0.605 2.043) 2.282 10.152 ( 1.348 1.639 -0.541) 2.190 10.152 ( -1.348 1.639 0.541) 2.190 10.357 ( 1.004 0.425 -1.485) 1.843 10.357 ( -1.004 0.425 1.485) 1.843 10.521 ( -0.859 -1.168 -2.822) 3.173 10.521 ( 0.859 -1.168 2.822) 3.173 11.180 ( 2.175 2.014 -4.138) 5.090 11.180 ( -2.175 2.014 4.138) 5.090 11.520 ( 3.418 -1.198 -4.989) 6.165 11.520 ( -3.418 -1.198 4.989) 6.165 11.877 ( -1.538 0.100 -0.174) 1.551 11.877 ( 1.538 0.100 0.174) 1.551 12.235 ( 1.122 -0.453 -1.439) 1.880 12.235 ( -1.122 -0.453 1.439) 1.880 12.347 ( 3.768 -0.909 -4.692) 6.086 12.347 ( -3.768 -0.909 4.692) 6.086 12.833 ( 3.666 1.149 -3.953) 5.512 12.833 ( -3.666 1.149 3.953) 5.512 13.248 ( -1.076 -0.610 -0.290) 1.270 13.248 ( 1.076 -0.610 0.290) 1.270 13.484 ( 2.980 -1.050 -5.450) 6.299 13.484 ( -2.980 -1.050 5.450) 6.299 13.958 ( 2.328 -1.984 -3.175) 4.409 13.958 ( -2.328 -1.984 3.175) 4.409 14.541 ( 4.649 0.382 -5.563) 7.260 14.541 ( -4.649 0.382 5.563) 7.260 15.001 ( 4.758 0.124 -3.477) 5.894 15.001 ( -4.758 0.124 3.477) 5.894 16.426 ( -0.647 14.765 -3.193) 15.120 16.426 ( 0.647 14.765 3.193) 15.120 16.641 ( 2.432 1.275 -1.622) 3.190 16.641 ( -2.432 1.275 1.622) 3.190 16.789 ( -4.378 -5.342 0.237) 6.910 16.789 ( 4.378 -5.342 -0.237) 6.910 17.414 ( 10.913 -5.266 -8.780) 14.964 17.414 ( -10.913 -5.266 8.780) 14.964 18.584 ( -1.999 11.444 -0.514) 11.629 18.584 ( 1.999 11.444 0.514) 11.629 18.717 ( -0.255 0.948 -4.619) 4.722 18.717 ( 0.255 0.948 4.619) 4.722 19.431 ( -2.383 -9.006 -3.923) 10.108 19.431 ( 2.383 -9.006 3.923) 10.108 19.641 ( 6.260 -1.395 -6.096) 8.849 19.641 ( -6.260 -1.395 6.096) 8.848 21.363 ( 2.488 -1.949 -2.498) 4.029 21.363 ( -2.488 -1.949 2.498) 4.029 21.870 ( 1.968 1.285 -2.629) 3.527 21.870 ( -1.968 1.285 2.629) 3.527 22.540 ( -0.975 -2.335 -1.548) 2.966 22.540 ( 0.975 -2.335 1.548) 2.966 22.759 ( -1.271 -1.530 -0.473) 2.045 22.759 ( 1.271 -1.530 0.473) 2.045 =================== 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 3/31104 10.0 251.511 293.430 306.253 0.000 -61.620 0.000 3/31104 20.0 42.160 81.439 57.729 0.000 -13.275 0.000 3/31104 30.0 13.459 30.363 18.560 0.000 -4.720 0.000 3/31104 40.0 6.723 16.087 9.386 0.000 -2.533 0.000 3/31104 50.0 4.280 10.467 6.034 0.000 -1.685 0.000 3/31104 60.0 3.112 7.667 4.419 0.000 -1.259 0.000 3/31104 70.0 2.447 6.041 3.493 0.000 -1.009 0.000 3/31104 80.0 2.022 4.993 2.898 0.000 -0.845 0.000 3/31104 90.0 1.728 4.266 2.485 0.000 -0.730 0.000 3/31104 100.0 1.512 3.732 2.180 0.000 -0.644 0.000 3/31104 110.0 1.347 3.324 1.947 0.000 -0.578 0.000 3/31104 120.0 1.217 3.002 1.762 0.000 -0.525 0.000 3/31104 130.0 1.112 2.741 1.612 0.000 -0.482 0.000 3/31104 140.0 1.024 2.525 1.487 0.000 -0.446 0.000 3/31104 150.0 0.951 2.343 1.382 0.000 -0.415 0.000 3/31104 160.0 0.889 2.187 1.292 0.000 -0.388 0.000 3/31104 170.0 0.835 2.053 1.215 0.000 -0.365 0.000 3/31104 180.0 0.788 1.935 1.147 0.000 -0.345 0.000 3/31104 190.0 0.747 1.832 1.087 0.000 -0.327 0.000 3/31104 200.0 0.710 1.739 1.033 0.000 -0.311 0.000 3/31104 210.0 0.678 1.657 0.985 0.000 -0.296 0.000 3/31104 220.0 0.648 1.582 0.942 0.000 -0.283 0.000 3/31104 230.0 0.621 1.514 0.903 0.000 -0.271 0.000 3/31104 240.0 0.597 1.453 0.867 0.000 -0.260 0.000 3/31104 250.0 0.574 1.396 0.834 0.000 -0.249 0.000 3/31104 260.0 0.554 1.344 0.803 0.000 -0.240 0.000 3/31104 270.0 0.535 1.296 0.775 0.000 -0.231 0.000 3/31104 280.0 0.517 1.251 0.749 0.000 -0.223 0.000 3/31104 290.0 0.501 1.210 0.725 0.000 -0.216 0.000 3/31104 300.0 0.485 1.171 0.702 0.000 -0.208 0.000 3/31104 310.0 0.471 1.135 0.681 0.000 -0.202 0.000 3/31104 320.0 0.457 1.101 0.661 0.000 -0.196 0.000 3/31104 330.0 0.444 1.069 0.642 0.000 -0.190 0.000 3/31104 340.0 0.432 1.039 0.624 0.000 -0.184 0.000 3/31104 350.0 0.421 1.010 0.607 0.000 -0.179 0.000 3/31104 360.0 0.410 0.983 0.592 0.000 -0.174 0.000 3/31104 370.0 0.400 0.958 0.576 0.000 -0.169 0.000 3/31104 380.0 0.390 0.934 0.562 0.000 -0.165 0.000 3/31104 390.0 0.381 0.911 0.549 0.000 -0.161 0.000 3/31104 400.0 0.372 0.889 0.536 0.000 -0.157 0.000 3/31104 410.0 0.364 0.868 0.523 0.000 -0.153 0.000 3/31104 420.0 0.356 0.848 0.512 0.000 -0.149 0.000 3/31104 430.0 0.348 0.829 0.500 0.000 -0.146 0.000 3/31104 440.0 0.341 0.811 0.489 0.000 -0.143 0.000 3/31104 450.0 0.334 0.794 0.479 0.000 -0.140 0.000 3/31104 460.0 0.327 0.777 0.469 0.000 -0.137 0.000 3/31104 470.0 0.321 0.761 0.460 0.000 -0.134 0.000 3/31104 480.0 0.314 0.746 0.451 0.000 -0.131 0.000 3/31104 490.0 0.308 0.731 0.442 0.000 -0.128 0.000 3/31104 500.0 0.303 0.717 0.433 0.000 -0.126 0.000 3/31104 510.0 0.297 0.704 0.425 0.000 -0.123 0.000 3/31104 520.0 0.292 0.690 0.418 0.000 -0.121 0.000 3/31104 530.0 0.286 0.678 0.410 0.000 -0.119 0.000 3/31104 540.0 0.281 0.666 0.403 0.000 -0.116 0.000 3/31104 550.0 0.277 0.654 0.396 0.000 -0.114 0.000 3/31104 560.0 0.272 0.643 0.389 0.000 -0.112 0.000 3/31104 570.0 0.267 0.632 0.382 0.000 -0.110 0.000 3/31104 580.0 0.263 0.621 0.376 0.000 -0.108 0.000 3/31104 590.0 0.259 0.611 0.370 0.000 -0.107 0.000 3/31104 600.0 0.255 0.601 0.364 0.000 -0.105 0.000 3/31104 610.0 0.251 0.591 0.358 0.000 -0.103 0.000 3/31104 620.0 0.247 0.582 0.353 0.000 -0.101 0.000 3/31104 630.0 0.243 0.573 0.347 0.000 -0.100 0.000 3/31104 640.0 0.240 0.564 0.342 0.000 -0.098 0.000 3/31104 650.0 0.236 0.556 0.337 0.000 -0.097 0.000 3/31104 660.0 0.233 0.548 0.332 0.000 -0.095 0.000 3/31104 670.0 0.229 0.540 0.327 0.000 -0.094 0.000 3/31104 680.0 0.226 0.532 0.323 0.000 -0.092 0.000 3/31104 690.0 0.223 0.525 0.318 0.000 -0.091 0.000 3/31104 700.0 0.220 0.517 0.314 0.000 -0.090 0.000 3/31104 710.0 0.217 0.510 0.309 0.000 -0.089 0.000 3/31104 720.0 0.214 0.503 0.305 0.000 -0.087 0.000 3/31104 730.0 0.211 0.496 0.301 0.000 -0.086 0.000 3/31104 740.0 0.208 0.490 0.297 0.000 -0.085 0.000 3/31104 750.0 0.206 0.483 0.293 0.000 -0.084 0.000 3/31104 760.0 0.203 0.477 0.289 0.000 -0.083 0.000 3/31104 770.0 0.201 0.471 0.286 0.000 -0.082 0.000 3/31104 780.0 0.198 0.465 0.282 0.000 -0.081 0.000 3/31104 790.0 0.196 0.459 0.279 0.000 -0.080 0.000 3/31104 800.0 0.193 0.454 0.275 0.000 -0.079 0.000 3/31104 810.0 0.191 0.448 0.272 0.000 -0.078 0.000 3/31104 820.0 0.189 0.443 0.269 0.000 -0.077 0.000 3/31104 830.0 0.187 0.438 0.266 0.000 -0.076 0.000 3/31104 840.0 0.184 0.433 0.263 0.000 -0.075 0.000 3/31104 850.0 0.182 0.428 0.260 0.000 -0.074 0.000 3/31104 860.0 0.180 0.423 0.257 0.000 -0.073 0.000 3/31104 870.0 0.178 0.418 0.254 0.000 -0.072 0.000 3/31104 880.0 0.176 0.413 0.251 0.000 -0.071 0.000 3/31104 890.0 0.174 0.409 0.248 0.000 -0.071 0.000 3/31104 900.0 0.172 0.404 0.245 0.000 -0.070 0.000 3/31104 910.0 0.171 0.400 0.243 0.000 -0.069 0.000 3/31104 920.0 0.169 0.396 0.240 0.000 -0.068 0.000 3/31104 930.0 0.167 0.391 0.238 0.000 -0.068 0.000 3/31104 940.0 0.165 0.387 0.235 0.000 -0.067 0.000 3/31104 950.0 0.164 0.383 0.233 0.000 -0.066 0.000 3/31104 960.0 0.162 0.379 0.230 0.000 -0.065 0.000 3/31104 970.0 0.160 0.375 0.228 0.000 -0.065 0.000 3/31104 980.0 0.159 0.372 0.226 0.000 -0.064 0.000 3/31104 990.0 0.157 0.368 0.223 0.000 -0.064 0.000 3/31104 1000.0 0.156 0.364 0.221 0.000 -0.063 0.000 3/31104 Thermal conductivity related properties were written into "kappa-m694.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:42:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|