----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:50:04]------------------------- 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: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.564577180004814 0.000000000000000 0.000000000000000 b 0.000000000000000 7.989385559999998 0.000000000000000 c -4.211476425360488 0.000000000000000 7.787856220051640 Atomic positions (fractional): *1 Be 0.24568206339117 0.69605288054553 0.53825193267469 9.012 2 Be 0.75431793660883 0.30394711945447 0.46174806732531 9.012 3 Be 0.24568206339117 0.80394711945447 0.03825193267469 9.012 4 Be 0.75431793660883 0.19605288054553 0.96174806732531 9.012 *5 F 0.51557580927387 0.18144343220421 0.43264676397753 18.998 6 F 0.48442419072613 0.68144343220421 0.06735323602247 18.998 7 F 0.48442419072613 0.81855656779579 0.56735323602247 18.998 8 F 0.51557580927387 0.31855656779579 0.93264676397753 18.998 *9 F 0.78795828150761 0.06633191762455 0.10119999855946 18.998 10 F 0.78795828150761 0.43366808237545 0.60119999855946 18.998 11 F 0.21204171849239 0.56633191762455 0.39880000144054 18.998 12 F 0.21204171849239 0.93366808237545 0.89880000144054 18.998 *13 F 0.67427684088897 0.10681290338153 0.79022573153851 18.998 14 F 0.32572315911103 0.60681290338153 0.70977426846149 18.998 15 F 0.32572315911103 0.89318709661847 0.20977426846149 18.998 16 F 0.67427684088897 0.39318709661847 0.29022573153851 18.998 *17 F 0.01767024205252 0.30482364594193 0.02119655757168 18.998 18 F 0.98232975794748 0.80482364594193 0.47880344242832 18.998 19 F 0.98232975794748 0.69517635405807 0.97880344242832 18.998 20 F 0.01767024205252 0.19517635405807 0.52119655757168 18.998 *21 Na 0.58731261261421 0.65631168555814 0.37423405031027 22.990 22 Na 0.41268738738579 0.15631168555814 0.12576594968973 22.990 23 Na 0.41268738738579 0.34368831444186 0.62576594968973 22.990 24 Na 0.58731261261421 0.84368831444186 0.87423405031027 22.990 *25 Na 0.85455186440478 0.51336357870687 0.13521985949257 22.990 26 Na 0.14544813559522 0.01336357870687 0.36478014050743 22.990 27 Na 0.14544813559522 0.48663642129313 0.86478014050743 22.990 28 Na 0.85455186440478 0.98663642129313 0.63521985949257 22.990 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.564577180004814 0.000000000000000 0.000000000000000 b 0.000000000000000 7.989385559999998 0.000000000000000 c -4.211476425360488 0.000000000000000 7.787856220051640 Atomic positions (fractional): *1 Be 0.24568206339117 0.69605288054553 0.53825193267469 9.012 > 1 2 Be 0.75431793660883 0.30394711945447 0.46174806732531 9.012 > 2 3 Be 0.24568206339117 0.80394711945447 0.03825193267469 9.012 > 3 4 Be 0.75431793660883 0.19605288054553 0.96174806732531 9.012 > 4 *5 F 0.51557580927387 0.18144343220421 0.43264676397753 18.998 > 5 6 F 0.48442419072613 0.68144343220421 0.06735323602247 18.998 > 6 7 F 0.48442419072613 0.81855656779579 0.56735323602247 18.998 > 7 8 F 0.51557580927387 0.31855656779579 0.93264676397753 18.998 > 8 *9 F 0.78795828150761 0.06633191762455 0.10119999855946 18.998 > 9 10 F 0.78795828150761 0.43366808237545 0.60119999855946 18.998 > 10 11 F 0.21204171849239 0.56633191762455 0.39880000144054 18.998 > 11 12 F 0.21204171849239 0.93366808237545 0.89880000144054 18.998 > 12 *13 F 0.67427684088897 0.10681290338153 0.79022573153851 18.998 > 13 14 F 0.32572315911103 0.60681290338153 0.70977426846149 18.998 > 14 15 F 0.32572315911103 0.89318709661847 0.20977426846149 18.998 > 15 16 F 0.67427684088897 0.39318709661847 0.29022573153851 18.998 > 16 *17 F 0.01767024205252 0.30482364594193 0.02119655757168 18.998 > 17 18 F 0.98232975794748 0.80482364594193 0.47880344242832 18.998 > 18 19 F 0.98232975794748 0.69517635405807 0.97880344242832 18.998 > 19 20 F 0.01767024205252 0.19517635405807 0.52119655757168 18.998 > 20 *21 Na 0.58731261261421 0.65631168555814 0.37423405031027 22.990 > 21 22 Na 0.41268738738579 0.15631168555814 0.12576594968973 22.990 > 22 23 Na 0.41268738738579 0.34368831444186 0.62576594968973 22.990 > 23 24 Na 0.58731261261421 0.84368831444186 0.87423405031027 22.990 > 24 *25 Na 0.85455186440478 0.51336357870687 0.13521985949257 22.990 > 25 26 Na 0.14544813559522 0.01336357870687 0.36478014050743 22.990 > 26 27 Na 0.14544813559522 0.48663642129313 0.86478014050743 22.990 > 27 28 Na 0.85455186440478 0.98663642129313 0.63521985949257 22.990 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.129154360009627 0.000000000000000 0.000000000000000 b 0.000000000000000 15.978771119999996 0.000000000000000 c -4.211476425360488 0.000000000000000 7.787856220051640 Atomic positions (fractional): *1 Be 0.12284103169558 0.34802644027277 0.53825193267469 9.012 > 1 2 Be 0.62284103169559 0.34802644027277 0.53825193267469 9.012 > 1 3 Be 0.12284103169558 0.84802644027277 0.53825193267469 9.012 > 1 4 Be 0.62284103169559 0.84802644027277 0.53825193267469 9.012 > 1 5 Be 0.37715896830442 0.15197355972723 0.46174806732531 9.012 > 2 6 Be 0.87715896830442 0.15197355972723 0.46174806732531 9.012 > 2 7 Be 0.37715896830442 0.65197355972723 0.46174806732531 9.012 > 2 8 Be 0.87715896830442 0.65197355972723 0.46174806732531 9.012 > 2 9 Be 0.12284103169558 0.40197355972723 0.03825193267469 9.012 > 3 10 Be 0.62284103169559 0.40197355972723 0.03825193267469 9.012 > 3 11 Be 0.12284103169558 0.90197355972723 0.03825193267469 9.012 > 3 12 Be 0.62284103169559 0.90197355972723 0.03825193267469 9.012 > 3 13 Be 0.37715896830442 0.09802644027277 0.96174806732531 9.012 > 4 14 Be 0.87715896830442 0.09802644027277 0.96174806732531 9.012 > 4 15 Be 0.37715896830442 0.59802644027277 0.96174806732531 9.012 > 4 16 Be 0.87715896830442 0.59802644027277 0.96174806732531 9.012 > 4 *17 F 0.25778790463693 0.09072171610211 0.43264676397753 18.998 > 5 18 F 0.75778790463693 0.09072171610211 0.43264676397753 18.998 > 5 19 F 0.25778790463693 0.59072171610211 0.43264676397753 18.998 > 5 20 F 0.75778790463693 0.59072171610211 0.43264676397753 18.998 > 5 21 F 0.24221209536307 0.34072171610211 0.06735323602247 18.998 > 6 22 F 0.74221209536307 0.34072171610211 0.06735323602247 18.998 > 6 23 F 0.24221209536307 0.84072171610211 0.06735323602247 18.998 > 6 24 F 0.74221209536307 0.84072171610211 0.06735323602247 18.998 > 6 25 F 0.24221209536307 0.40927828389789 0.56735323602247 18.998 > 7 26 F 0.74221209536307 0.40927828389789 0.56735323602247 18.998 > 7 27 F 0.24221209536307 0.90927828389789 0.56735323602247 18.998 > 7 28 F 0.74221209536307 0.90927828389789 0.56735323602247 18.998 > 7 29 F 0.25778790463693 0.15927828389789 0.93264676397753 18.998 > 8 30 F 0.75778790463693 0.15927828389789 0.93264676397753 18.998 > 8 31 F 0.25778790463693 0.65927828389789 0.93264676397753 18.998 > 8 32 F 0.75778790463693 0.65927828389789 0.93264676397753 18.998 > 8 *33 F 0.39397914075380 0.03316595881227 0.10119999855946 18.998 > 9 34 F 0.89397914075380 0.03316595881227 0.10119999855946 18.998 > 9 35 F 0.39397914075380 0.53316595881227 0.10119999855946 18.998 > 9 36 F 0.89397914075380 0.53316595881227 0.10119999855946 18.998 > 9 37 F 0.39397914075380 0.21683404118773 0.60119999855946 18.998 > 10 38 F 0.89397914075380 0.21683404118773 0.60119999855946 18.998 > 10 39 F 0.39397914075380 0.71683404118773 0.60119999855946 18.998 > 10 40 F 0.89397914075380 0.71683404118773 0.60119999855946 18.998 > 10 41 F 0.10602085924620 0.28316595881227 0.39880000144054 18.998 > 11 42 F 0.60602085924620 0.28316595881227 0.39880000144054 18.998 > 11 43 F 0.10602085924620 0.78316595881227 0.39880000144054 18.998 > 11 44 F 0.60602085924620 0.78316595881227 0.39880000144054 18.998 > 11 45 F 0.10602085924620 0.46683404118773 0.89880000144054 18.998 > 12 46 F 0.60602085924620 0.46683404118773 0.89880000144054 18.998 > 12 47 F 0.10602085924620 0.96683404118773 0.89880000144054 18.998 > 12 48 F 0.60602085924620 0.96683404118773 0.89880000144054 18.998 > 12 *49 F 0.33713842044448 0.05340645169076 0.79022573153851 18.998 > 13 50 F 0.83713842044448 0.05340645169076 0.79022573153851 18.998 > 13 51 F 0.33713842044448 0.55340645169076 0.79022573153851 18.998 > 13 52 F 0.83713842044448 0.55340645169076 0.79022573153851 18.998 > 13 53 F 0.16286157955552 0.30340645169076 0.70977426846149 18.998 > 14 54 F 0.66286157955552 0.30340645169076 0.70977426846149 18.998 > 14 55 F 0.16286157955552 0.80340645169076 0.70977426846149 18.998 > 14 56 F 0.66286157955552 0.80340645169076 0.70977426846149 18.998 > 14 57 F 0.16286157955552 0.44659354830924 0.20977426846149 18.998 > 15 58 F 0.66286157955552 0.44659354830924 0.20977426846149 18.998 > 15 59 F 0.16286157955552 0.94659354830924 0.20977426846149 18.998 > 15 60 F 0.66286157955552 0.94659354830924 0.20977426846149 18.998 > 15 61 F 0.33713842044448 0.19659354830924 0.29022573153851 18.998 > 16 62 F 0.83713842044448 0.19659354830924 0.29022573153851 18.998 > 16 63 F 0.33713842044448 0.69659354830924 0.29022573153851 18.998 > 16 64 F 0.83713842044448 0.69659354830924 0.29022573153851 18.998 > 16 *65 F 0.00883512102626 0.15241182297097 0.02119655757168 18.998 > 17 66 F 0.50883512102626 0.15241182297097 0.02119655757168 18.998 > 17 67 F 0.00883512102626 0.65241182297097 0.02119655757168 18.998 > 17 68 F 0.50883512102626 0.65241182297097 0.02119655757168 18.998 > 17 69 F 0.49116487897374 0.40241182297097 0.47880344242832 18.998 > 18 70 F 0.99116487897374 0.40241182297097 0.47880344242832 18.998 > 18 71 F 0.49116487897374 0.90241182297097 0.47880344242832 18.998 > 18 72 F 0.99116487897374 0.90241182297097 0.47880344242832 18.998 > 18 73 F 0.49116487897374 0.34758817702903 0.97880344242832 18.998 > 19 74 F 0.99116487897374 0.34758817702903 0.97880344242832 18.998 > 19 75 F 0.49116487897374 0.84758817702903 0.97880344242832 18.998 > 19 76 F 0.99116487897374 0.84758817702903 0.97880344242832 18.998 > 19 77 F 0.00883512102626 0.09758817702903 0.52119655757168 18.998 > 20 78 F 0.50883512102626 0.09758817702903 0.52119655757168 18.998 > 20 79 F 0.00883512102626 0.59758817702903 0.52119655757168 18.998 > 20 80 F 0.50883512102626 0.59758817702903 0.52119655757168 18.998 > 20 *81 Na 0.29365630630710 0.32815584277907 0.37423405031027 22.990 > 21 82 Na 0.79365630630710 0.32815584277907 0.37423405031027 22.990 > 21 83 Na 0.29365630630710 0.82815584277907 0.37423405031027 22.990 > 21 84 Na 0.79365630630710 0.82815584277907 0.37423405031027 22.990 > 21 85 Na 0.20634369369290 0.07815584277907 0.12576594968973 22.990 > 22 86 Na 0.70634369369290 0.07815584277907 0.12576594968973 22.990 > 22 87 Na 0.20634369369290 0.57815584277907 0.12576594968973 22.990 > 22 88 Na 0.70634369369290 0.57815584277907 0.12576594968973 22.990 > 22 89 Na 0.20634369369290 0.17184415722093 0.62576594968973 22.990 > 23 90 Na 0.70634369369290 0.17184415722093 0.62576594968973 22.990 > 23 91 Na 0.20634369369290 0.67184415722093 0.62576594968973 22.990 > 23 92 Na 0.70634369369290 0.67184415722093 0.62576594968973 22.990 > 23 93 Na 0.29365630630710 0.42184415722093 0.87423405031027 22.990 > 24 94 Na 0.79365630630710 0.42184415722093 0.87423405031027 22.990 > 24 95 Na 0.29365630630710 0.92184415722093 0.87423405031027 22.990 > 24 96 Na 0.79365630630710 0.92184415722093 0.87423405031027 22.990 > 24 *97 Na 0.42727593220239 0.25668178935344 0.13521985949257 22.990 > 25 98 Na 0.92727593220239 0.25668178935344 0.13521985949257 22.990 > 25 99 Na 0.42727593220239 0.75668178935344 0.13521985949257 22.990 > 25 100 Na 0.92727593220239 0.75668178935344 0.13521985949257 22.990 > 25 101 Na 0.07272406779761 0.00668178935343 0.36478014050743 22.990 > 26 102 Na 0.57272406779761 0.00668178935343 0.36478014050743 22.990 > 26 103 Na 0.07272406779761 0.50668178935343 0.36478014050743 22.990 > 26 104 Na 0.57272406779761 0.50668178935343 0.36478014050743 22.990 > 26 105 Na 0.07272406779761 0.24331821064657 0.86478014050743 22.990 > 27 106 Na 0.57272406779761 0.24331821064657 0.86478014050743 22.990 > 27 107 Na 0.07272406779761 0.74331821064657 0.86478014050743 22.990 > 27 108 Na 0.57272406779761 0.74331821064657 0.86478014050743 22.990 > 27 109 Na 0.42727593220239 0.49331821064656 0.63521985949257 22.990 > 28 110 Na 0.92727593220239 0.49331821064656 0.63521985949257 22.990 > 28 111 Na 0.42727593220239 0.99331821064656 0.63521985949257 22.990 > 28 112 Na 0.92727593220239 0.99331821064656 0.63521985949257 22.990 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.8004837 0.0000000 -0.0044290 0.0000000 1.8037659 0.0000000 -0.0044292 0.0000000 1.7984632 -------------------------- Born effective charges -------------------------- 1 Be 1.6380132 -0.0050872 -0.0058833 0.0009925 1.6540643 -0.0142137 -0.0094017 -0.0070773 1.6228066 2 Be 1.6380132 -0.0050872 -0.0058833 0.0009925 1.6540643 -0.0142137 -0.0094017 -0.0070773 1.6228066 3 Be 1.6380132 0.0050872 -0.0058833 -0.0009925 1.6540643 0.0142137 -0.0094017 0.0070773 1.6228066 4 Be 1.6380132 0.0050872 -0.0058833 -0.0009925 1.6540643 0.0142137 -0.0094017 0.0070773 1.6228066 5 F -1.0448497 -0.2132993 -0.0345795 -0.2165355 -0.9528967 -0.0607064 -0.0316384 -0.0580740 -0.8315944 6 F -1.0448497 0.2132993 -0.0345795 0.2165355 -0.9528967 0.0607064 -0.0316384 0.0580740 -0.8315944 7 F -1.0448497 -0.2132993 -0.0345795 -0.2165355 -0.9528967 -0.0607064 -0.0316384 -0.0580740 -0.8315944 8 F -1.0448497 0.2132993 -0.0345795 0.2165355 -0.9528967 0.0607064 -0.0316384 0.0580740 -0.8315944 9 F -0.8401348 -0.0496872 0.0604027 -0.0541292 -0.9531521 0.1720772 0.0676251 0.1690147 -0.9991449 10 F -0.8401348 0.0496872 0.0604027 0.0541292 -0.9531521 -0.1720772 0.0676251 -0.1690147 -0.9991449 11 F -0.8401348 0.0496872 0.0604027 0.0541292 -0.9531521 -0.1720772 0.0676251 -0.1690147 -0.9991449 12 F -0.8401348 -0.0496872 0.0604027 -0.0541292 -0.9531521 0.1720772 0.0676251 0.1690147 -0.9991449 13 F -0.7655895 0.0509288 0.0979795 0.0554509 -0.9166920 -0.1419013 0.0968378 -0.1389302 -1.1000673 14 F -0.7655895 -0.0509288 0.0979795 -0.0554509 -0.9166920 0.1419013 0.0968378 0.1389302 -1.1000673 15 F -0.7655895 0.0509288 0.0979795 0.0554509 -0.9166920 -0.1419013 0.0968378 -0.1389302 -1.1000673 16 F -0.7655895 -0.0509288 0.0979795 -0.0554509 -0.9166920 0.1419013 0.0968378 0.1389302 -1.1000673 17 F -1.0847513 -0.1744119 -0.0898332 -0.1610694 -0.9359584 -0.0532900 -0.0996812 -0.0545474 -0.7841569 18 F -1.0847513 0.1744119 -0.0898332 0.1610694 -0.9359584 0.0532900 -0.0996812 0.0545474 -0.7841569 19 F -1.0847513 -0.1744119 -0.0898332 -0.1610694 -0.9359584 -0.0532900 -0.0996812 -0.0545474 -0.7841569 20 F -1.0847513 0.1744119 -0.0898332 0.1610694 -0.9359584 0.0532900 -0.0996812 0.0545474 -0.7841569 21 Na 1.0503820 -0.0242387 -0.0109657 -0.0399178 1.0460443 -0.0489639 -0.0145715 -0.0453580 1.0316430 22 Na 1.0503820 0.0242387 -0.0109657 0.0399178 1.0460443 0.0489639 -0.0145715 0.0453580 1.0316430 23 Na 1.0503820 -0.0242387 -0.0109657 -0.0399178 1.0460443 -0.0489639 -0.0145715 -0.0453580 1.0316430 24 Na 1.0503820 0.0242387 -0.0109657 0.0399178 1.0460443 0.0489639 -0.0145715 0.0453580 1.0316430 25 Na 1.0469300 0.0204237 -0.0171205 0.0237596 1.0585906 0.0202327 -0.0091700 0.0174873 1.0605141 26 Na 1.0469300 -0.0204237 -0.0171205 -0.0237596 1.0585906 -0.0202327 -0.0091700 -0.0174873 1.0605141 27 Na 1.0469300 0.0204237 -0.0171205 0.0237596 1.0585906 0.0202327 -0.0091700 0.0174873 1.0605141 28 Na 1.0469300 -0.0204237 -0.0171205 -0.0237596 1.0585906 -0.0202327 -0.0091700 -0.0174873 1.0605141 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 273 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 273 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 11), data: (784, 25) @ (25, 11) |-- (284, 273), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 11), data: (784, 25) @ (25, 11) |-- (284, 273), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 880 - Time: 1.077 Solver_block: 200 / 880 - Time: 2.004 Solver_block: 300 / 880 - Time: 2.357 Solver_block: 400 / 880 - Time: 0.980 Solver_block: 500 / 880 - Time: 1.033 Solver_block: 600 / 880 - Time: 2.477 Solver_block: 700 / 880 - Time: 0.962 Solver_block: 800 / 880 - Time: 2.294 Solver_block: 880 / 880 - Time: 0.791 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.582 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 273 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 273 eigenvectors found. (1) Complementary block size: 25 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 11), data: (784, 25) @ (25, 11) |-- (284, 273), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 11), data: (784, 25) @ (25, 11) |-- (284, 273), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) 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 2026-01-07 19:51:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:51:17]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.564577180004814 0.000000000000000 0.000000000000000 b 0.000000000000000 7.989385559999998 0.000000000000000 c -4.211476425360488 0.000000000000000 7.787856220051640 Atomic positions (fractional): 1 Be 0.24568206339117 0.69605288054553 0.53825193267469 9.012 2 Be 0.75431793660883 0.30394711945447 0.46174806732531 9.012 3 Be 0.24568206339117 0.80394711945447 0.03825193267469 9.012 4 Be 0.75431793660883 0.19605288054553 0.96174806732531 9.012 5 F 0.51557580927387 0.18144343220421 0.43264676397753 18.998 6 F 0.48442419072613 0.68144343220421 0.06735323602247 18.998 7 F 0.48442419072613 0.81855656779579 0.56735323602247 18.998 8 F 0.51557580927387 0.31855656779579 0.93264676397753 18.998 9 F 0.78795828150761 0.06633191762455 0.10119999855946 18.998 10 F 0.78795828150761 0.43366808237545 0.60119999855946 18.998 11 F 0.21204171849239 0.56633191762455 0.39880000144054 18.998 12 F 0.21204171849239 0.93366808237545 0.89880000144054 18.998 13 F 0.67427684088897 0.10681290338153 0.79022573153851 18.998 14 F 0.32572315911103 0.60681290338153 0.70977426846149 18.998 15 F 0.32572315911103 0.89318709661847 0.20977426846149 18.998 16 F 0.67427684088897 0.39318709661847 0.29022573153851 18.998 17 F 0.01767024205252 0.30482364594193 0.02119655757168 18.998 18 F 0.98232975794748 0.80482364594193 0.47880344242832 18.998 19 F 0.98232975794748 0.69517635405807 0.97880344242832 18.998 20 F 0.01767024205252 0.19517635405807 0.52119655757168 18.998 21 Na 0.58731261261421 0.65631168555814 0.37423405031027 22.990 22 Na 0.41268738738579 0.15631168555814 0.12576594968973 22.990 23 Na 0.41268738738579 0.34368831444186 0.62576594968973 22.990 24 Na 0.58731261261421 0.84368831444186 0.87423405031027 22.990 25 Na 0.85455186440478 0.51336357870687 0.13521985949257 22.990 26 Na 0.14544813559522 0.01336357870687 0.36478014050743 22.990 27 Na 0.14544813559522 0.48663642129313 0.86478014050743 22.990 28 Na 0.85455186440478 0.98663642129313 0.63521985949257 22.990 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.129154360009627 0.000000000000000 0.000000000000000 b 0.000000000000000 15.978771119999996 0.000000000000000 c -4.211476425360488 0.000000000000000 7.787856220051640 Atomic positions (fractional): 1 Be 0.12284103169558 0.34802644027277 0.53825193267469 9.012 > 1 2 Be 0.62284103169559 0.34802644027277 0.53825193267469 9.012 > 1 3 Be 0.12284103169558 0.84802644027277 0.53825193267469 9.012 > 1 4 Be 0.62284103169559 0.84802644027277 0.53825193267469 9.012 > 1 5 Be 0.37715896830442 0.15197355972723 0.46174806732531 9.012 > 5 6 Be 0.87715896830442 0.15197355972723 0.46174806732531 9.012 > 5 7 Be 0.37715896830442 0.65197355972723 0.46174806732531 9.012 > 5 8 Be 0.87715896830442 0.65197355972723 0.46174806732531 9.012 > 5 9 Be 0.12284103169558 0.40197355972723 0.03825193267469 9.012 > 9 10 Be 0.62284103169559 0.40197355972723 0.03825193267469 9.012 > 9 11 Be 0.12284103169558 0.90197355972723 0.03825193267469 9.012 > 9 12 Be 0.62284103169559 0.90197355972723 0.03825193267469 9.012 > 9 13 Be 0.37715896830442 0.09802644027277 0.96174806732531 9.012 > 13 14 Be 0.87715896830442 0.09802644027277 0.96174806732531 9.012 > 13 15 Be 0.37715896830442 0.59802644027277 0.96174806732531 9.012 > 13 16 Be 0.87715896830442 0.59802644027277 0.96174806732531 9.012 > 13 17 F 0.25778790463693 0.09072171610211 0.43264676397753 18.998 > 17 18 F 0.75778790463693 0.09072171610211 0.43264676397753 18.998 > 17 19 F 0.25778790463693 0.59072171610211 0.43264676397753 18.998 > 17 20 F 0.75778790463693 0.59072171610211 0.43264676397753 18.998 > 17 21 F 0.24221209536307 0.34072171610211 0.06735323602247 18.998 > 21 22 F 0.74221209536307 0.34072171610211 0.06735323602247 18.998 > 21 23 F 0.24221209536307 0.84072171610211 0.06735323602247 18.998 > 21 24 F 0.74221209536307 0.84072171610211 0.06735323602247 18.998 > 21 25 F 0.24221209536307 0.40927828389789 0.56735323602247 18.998 > 25 26 F 0.74221209536307 0.40927828389789 0.56735323602247 18.998 > 25 27 F 0.24221209536307 0.90927828389789 0.56735323602247 18.998 > 25 28 F 0.74221209536307 0.90927828389789 0.56735323602247 18.998 > 25 29 F 0.25778790463693 0.15927828389789 0.93264676397753 18.998 > 29 30 F 0.75778790463693 0.15927828389789 0.93264676397753 18.998 > 29 31 F 0.25778790463693 0.65927828389789 0.93264676397753 18.998 > 29 32 F 0.75778790463693 0.65927828389789 0.93264676397753 18.998 > 29 33 F 0.39397914075380 0.03316595881227 0.10119999855946 18.998 > 33 34 F 0.89397914075380 0.03316595881227 0.10119999855946 18.998 > 33 35 F 0.39397914075380 0.53316595881227 0.10119999855946 18.998 > 33 36 F 0.89397914075380 0.53316595881227 0.10119999855946 18.998 > 33 37 F 0.39397914075380 0.21683404118773 0.60119999855946 18.998 > 37 38 F 0.89397914075380 0.21683404118773 0.60119999855946 18.998 > 37 39 F 0.39397914075380 0.71683404118773 0.60119999855946 18.998 > 37 40 F 0.89397914075380 0.71683404118773 0.60119999855946 18.998 > 37 41 F 0.10602085924620 0.28316595881227 0.39880000144054 18.998 > 41 42 F 0.60602085924620 0.28316595881227 0.39880000144054 18.998 > 41 43 F 0.10602085924620 0.78316595881227 0.39880000144054 18.998 > 41 44 F 0.60602085924620 0.78316595881227 0.39880000144054 18.998 > 41 45 F 0.10602085924620 0.46683404118773 0.89880000144054 18.998 > 45 46 F 0.60602085924620 0.46683404118773 0.89880000144054 18.998 > 45 47 F 0.10602085924620 0.96683404118773 0.89880000144054 18.998 > 45 48 F 0.60602085924620 0.96683404118773 0.89880000144054 18.998 > 45 49 F 0.33713842044448 0.05340645169076 0.79022573153851 18.998 > 49 50 F 0.83713842044448 0.05340645169076 0.79022573153851 18.998 > 49 51 F 0.33713842044448 0.55340645169076 0.79022573153851 18.998 > 49 52 F 0.83713842044448 0.55340645169076 0.79022573153851 18.998 > 49 53 F 0.16286157955552 0.30340645169076 0.70977426846149 18.998 > 53 54 F 0.66286157955552 0.30340645169076 0.70977426846149 18.998 > 53 55 F 0.16286157955552 0.80340645169076 0.70977426846149 18.998 > 53 56 F 0.66286157955552 0.80340645169076 0.70977426846149 18.998 > 53 57 F 0.16286157955552 0.44659354830924 0.20977426846149 18.998 > 57 58 F 0.66286157955552 0.44659354830924 0.20977426846149 18.998 > 57 59 F 0.16286157955552 0.94659354830924 0.20977426846149 18.998 > 57 60 F 0.66286157955552 0.94659354830924 0.20977426846149 18.998 > 57 61 F 0.33713842044448 0.19659354830924 0.29022573153851 18.998 > 61 62 F 0.83713842044448 0.19659354830924 0.29022573153851 18.998 > 61 63 F 0.33713842044448 0.69659354830924 0.29022573153851 18.998 > 61 64 F 0.83713842044448 0.69659354830924 0.29022573153851 18.998 > 61 65 F 0.00883512102626 0.15241182297097 0.02119655757168 18.998 > 65 66 F 0.50883512102626 0.15241182297097 0.02119655757168 18.998 > 65 67 F 0.00883512102626 0.65241182297097 0.02119655757168 18.998 > 65 68 F 0.50883512102626 0.65241182297097 0.02119655757168 18.998 > 65 69 F 0.49116487897374 0.40241182297097 0.47880344242832 18.998 > 69 70 F 0.99116487897374 0.40241182297097 0.47880344242832 18.998 > 69 71 F 0.49116487897374 0.90241182297097 0.47880344242832 18.998 > 69 72 F 0.99116487897374 0.90241182297097 0.47880344242832 18.998 > 69 73 F 0.49116487897374 0.34758817702903 0.97880344242832 18.998 > 73 74 F 0.99116487897374 0.34758817702903 0.97880344242832 18.998 > 73 75 F 0.49116487897374 0.84758817702903 0.97880344242832 18.998 > 73 76 F 0.99116487897374 0.84758817702903 0.97880344242832 18.998 > 73 77 F 0.00883512102626 0.09758817702903 0.52119655757168 18.998 > 77 78 F 0.50883512102626 0.09758817702903 0.52119655757168 18.998 > 77 79 F 0.00883512102626 0.59758817702903 0.52119655757168 18.998 > 77 80 F 0.50883512102626 0.59758817702903 0.52119655757168 18.998 > 77 81 Na 0.29365630630710 0.32815584277907 0.37423405031027 22.990 > 81 82 Na 0.79365630630710 0.32815584277907 0.37423405031027 22.990 > 81 83 Na 0.29365630630710 0.82815584277907 0.37423405031027 22.990 > 81 84 Na 0.79365630630710 0.82815584277907 0.37423405031027 22.990 > 81 85 Na 0.20634369369290 0.07815584277907 0.12576594968973 22.990 > 85 86 Na 0.70634369369290 0.07815584277907 0.12576594968973 22.990 > 85 87 Na 0.20634369369290 0.57815584277907 0.12576594968973 22.990 > 85 88 Na 0.70634369369290 0.57815584277907 0.12576594968973 22.990 > 85 89 Na 0.20634369369290 0.17184415722093 0.62576594968973 22.990 > 89 90 Na 0.70634369369290 0.17184415722093 0.62576594968973 22.990 > 89 91 Na 0.20634369369290 0.67184415722093 0.62576594968973 22.990 > 89 92 Na 0.70634369369290 0.67184415722093 0.62576594968973 22.990 > 89 93 Na 0.29365630630710 0.42184415722093 0.87423405031027 22.990 > 93 94 Na 0.79365630630710 0.42184415722093 0.87423405031027 22.990 > 93 95 Na 0.29365630630710 0.92184415722093 0.87423405031027 22.990 > 93 96 Na 0.79365630630710 0.92184415722093 0.87423405031027 22.990 > 93 97 Na 0.42727593220239 0.25668178935344 0.13521985949257 22.990 > 97 98 Na 0.92727593220239 0.25668178935344 0.13521985949257 22.990 > 97 99 Na 0.42727593220239 0.75668178935344 0.13521985949257 22.990 > 97 100 Na 0.92727593220239 0.75668178935344 0.13521985949257 22.990 > 97 101 Na 0.07272406779761 0.00668178935343 0.36478014050743 22.990 > 101 102 Na 0.57272406779761 0.00668178935343 0.36478014050743 22.990 > 101 103 Na 0.07272406779761 0.50668178935343 0.36478014050743 22.990 > 101 104 Na 0.57272406779761 0.50668178935343 0.36478014050743 22.990 > 101 105 Na 0.07272406779761 0.24331821064657 0.86478014050743 22.990 > 105 106 Na 0.57272406779761 0.24331821064657 0.86478014050743 22.990 > 105 107 Na 0.07272406779761 0.74331821064657 0.86478014050743 22.990 > 105 108 Na 0.57272406779761 0.74331821064657 0.86478014050743 22.990 > 105 109 Na 0.42727593220239 0.49331821064656 0.63521985949257 22.990 > 109 110 Na 0.92727593220239 0.49331821064656 0.63521985949257 22.990 > 109 111 Na 0.42727593220239 0.99331821064656 0.63521985949257 22.990 > 109 112 Na 0.92727593220239 0.99331821064656 0.63521985949257 22.990 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.8004837 0.0000000 -0.0044290 0.0000000 1.8037659 0.0000000 -0.0044292 0.0000000 1.7984632 -------------------------- Born effective charges -------------------------- 1 Be 1.6380132 -0.0050872 -0.0058833 0.0009925 1.6540643 -0.0142137 -0.0094017 -0.0070773 1.6228066 2 Be 1.6380132 -0.0050872 -0.0058833 0.0009925 1.6540643 -0.0142137 -0.0094017 -0.0070773 1.6228066 3 Be 1.6380132 0.0050872 -0.0058833 -0.0009925 1.6540643 0.0142137 -0.0094017 0.0070773 1.6228066 4 Be 1.6380132 0.0050872 -0.0058833 -0.0009925 1.6540643 0.0142137 -0.0094017 0.0070773 1.6228066 5 F -1.0448497 -0.2132993 -0.0345795 -0.2165355 -0.9528967 -0.0607064 -0.0316384 -0.0580740 -0.8315944 6 F -1.0448497 0.2132993 -0.0345795 0.2165355 -0.9528967 0.0607064 -0.0316384 0.0580740 -0.8315944 7 F -1.0448497 -0.2132993 -0.0345795 -0.2165355 -0.9528967 -0.0607064 -0.0316384 -0.0580740 -0.8315944 8 F -1.0448497 0.2132993 -0.0345795 0.2165355 -0.9528967 0.0607064 -0.0316384 0.0580740 -0.8315944 9 F -0.8401348 -0.0496872 0.0604027 -0.0541292 -0.9531521 0.1720772 0.0676251 0.1690147 -0.9991449 10 F -0.8401348 0.0496872 0.0604027 0.0541292 -0.9531521 -0.1720772 0.0676251 -0.1690147 -0.9991449 11 F -0.8401348 0.0496872 0.0604027 0.0541292 -0.9531521 -0.1720772 0.0676251 -0.1690147 -0.9991449 12 F -0.8401348 -0.0496872 0.0604027 -0.0541292 -0.9531521 0.1720772 0.0676251 0.1690147 -0.9991449 13 F -0.7655895 0.0509288 0.0979795 0.0554509 -0.9166920 -0.1419013 0.0968378 -0.1389302 -1.1000673 14 F -0.7655895 -0.0509288 0.0979795 -0.0554509 -0.9166920 0.1419013 0.0968378 0.1389302 -1.1000673 15 F -0.7655895 0.0509288 0.0979795 0.0554509 -0.9166920 -0.1419013 0.0968378 -0.1389302 -1.1000673 16 F -0.7655895 -0.0509288 0.0979795 -0.0554509 -0.9166920 0.1419013 0.0968378 0.1389302 -1.1000673 17 F -1.0847513 -0.1744119 -0.0898332 -0.1610694 -0.9359584 -0.0532900 -0.0996812 -0.0545474 -0.7841569 18 F -1.0847513 0.1744119 -0.0898332 0.1610694 -0.9359584 0.0532900 -0.0996812 0.0545474 -0.7841569 19 F -1.0847513 -0.1744119 -0.0898332 -0.1610694 -0.9359584 -0.0532900 -0.0996812 -0.0545474 -0.7841569 20 F -1.0847513 0.1744119 -0.0898332 0.1610694 -0.9359584 0.0532900 -0.0996812 0.0545474 -0.7841569 21 Na 1.0503820 -0.0242387 -0.0109657 -0.0399178 1.0460443 -0.0489639 -0.0145715 -0.0453580 1.0316430 22 Na 1.0503820 0.0242387 -0.0109657 0.0399178 1.0460443 0.0489639 -0.0145715 0.0453580 1.0316430 23 Na 1.0503820 -0.0242387 -0.0109657 -0.0399178 1.0460443 -0.0489639 -0.0145715 -0.0453580 1.0316430 24 Na 1.0503820 0.0242387 -0.0109657 0.0399178 1.0460443 0.0489639 -0.0145715 0.0453580 1.0316430 25 Na 1.0469300 0.0204237 -0.0171205 0.0237596 1.0585906 0.0202327 -0.0091700 0.0174873 1.0605141 26 Na 1.0469300 -0.0204237 -0.0171205 -0.0237596 1.0585906 -0.0202327 -0.0091700 -0.0174873 1.0605141 27 Na 1.0469300 0.0204237 -0.0171205 0.0237596 1.0585906 0.0202327 -0.0091700 0.0174873 1.0605141 28 Na 1.0469300 -0.0204237 -0.0171205 -0.0237596 1.0585906 -0.0202327 -0.0091700 -0.0174873 1.0605141 ---------------------------------------------------------------------------- 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088] 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 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:51:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:51:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.564577180004814 0.000000000000000 0.000000000000000 b 0.000000000000000 7.989385559999998 0.000000000000000 c -4.211476425360488 0.000000000000000 7.787856220051640 Atomic positions (fractional): 1 Be 0.24568206339117 0.69605288054553 0.53825193267469 9.012 2 Be 0.75431793660883 0.30394711945447 0.46174806732531 9.012 3 Be 0.24568206339117 0.80394711945447 0.03825193267469 9.012 4 Be 0.75431793660883 0.19605288054553 0.96174806732531 9.012 5 F 0.51557580927387 0.18144343220421 0.43264676397753 18.998 6 F 0.48442419072613 0.68144343220421 0.06735323602247 18.998 7 F 0.48442419072613 0.81855656779579 0.56735323602247 18.998 8 F 0.51557580927387 0.31855656779579 0.93264676397753 18.998 9 F 0.78795828150761 0.06633191762455 0.10119999855946 18.998 10 F 0.78795828150761 0.43366808237545 0.60119999855946 18.998 11 F 0.21204171849239 0.56633191762455 0.39880000144054 18.998 12 F 0.21204171849239 0.93366808237545 0.89880000144054 18.998 13 F 0.67427684088897 0.10681290338153 0.79022573153851 18.998 14 F 0.32572315911103 0.60681290338153 0.70977426846149 18.998 15 F 0.32572315911103 0.89318709661847 0.20977426846149 18.998 16 F 0.67427684088897 0.39318709661847 0.29022573153851 18.998 17 F 0.01767024205252 0.30482364594193 0.02119655757168 18.998 18 F 0.98232975794748 0.80482364594193 0.47880344242832 18.998 19 F 0.98232975794748 0.69517635405807 0.97880344242832 18.998 20 F 0.01767024205252 0.19517635405807 0.52119655757168 18.998 21 Na 0.58731261261421 0.65631168555814 0.37423405031027 22.990 22 Na 0.41268738738579 0.15631168555814 0.12576594968973 22.990 23 Na 0.41268738738579 0.34368831444186 0.62576594968973 22.990 24 Na 0.58731261261421 0.84368831444186 0.87423405031027 22.990 25 Na 0.85455186440478 0.51336357870687 0.13521985949257 22.990 26 Na 0.14544813559522 0.01336357870687 0.36478014050743 22.990 27 Na 0.14544813559522 0.48663642129313 0.86478014050743 22.990 28 Na 0.85455186440478 0.98663642129313 0.63521985949257 22.990 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.129154360009627 0.000000000000000 0.000000000000000 b 0.000000000000000 15.978771119999996 0.000000000000000 c -4.211476425360488 0.000000000000000 7.787856220051640 Atomic positions (fractional): 1 Be 0.12284103169558 0.34802644027277 0.53825193267469 9.012 > 1 2 Be 0.62284103169559 0.34802644027277 0.53825193267469 9.012 > 1 3 Be 0.12284103169558 0.84802644027277 0.53825193267469 9.012 > 1 4 Be 0.62284103169559 0.84802644027277 0.53825193267469 9.012 > 1 5 Be 0.37715896830442 0.15197355972723 0.46174806732531 9.012 > 5 6 Be 0.87715896830442 0.15197355972723 0.46174806732531 9.012 > 5 7 Be 0.37715896830442 0.65197355972723 0.46174806732531 9.012 > 5 8 Be 0.87715896830442 0.65197355972723 0.46174806732531 9.012 > 5 9 Be 0.12284103169558 0.40197355972723 0.03825193267469 9.012 > 9 10 Be 0.62284103169559 0.40197355972723 0.03825193267469 9.012 > 9 11 Be 0.12284103169558 0.90197355972723 0.03825193267469 9.012 > 9 12 Be 0.62284103169559 0.90197355972723 0.03825193267469 9.012 > 9 13 Be 0.37715896830442 0.09802644027277 0.96174806732531 9.012 > 13 14 Be 0.87715896830442 0.09802644027277 0.96174806732531 9.012 > 13 15 Be 0.37715896830442 0.59802644027277 0.96174806732531 9.012 > 13 16 Be 0.87715896830442 0.59802644027277 0.96174806732531 9.012 > 13 17 F 0.25778790463693 0.09072171610211 0.43264676397753 18.998 > 17 18 F 0.75778790463693 0.09072171610211 0.43264676397753 18.998 > 17 19 F 0.25778790463693 0.59072171610211 0.43264676397753 18.998 > 17 20 F 0.75778790463693 0.59072171610211 0.43264676397753 18.998 > 17 21 F 0.24221209536307 0.34072171610211 0.06735323602247 18.998 > 21 22 F 0.74221209536307 0.34072171610211 0.06735323602247 18.998 > 21 23 F 0.24221209536307 0.84072171610211 0.06735323602247 18.998 > 21 24 F 0.74221209536307 0.84072171610211 0.06735323602247 18.998 > 21 25 F 0.24221209536307 0.40927828389789 0.56735323602247 18.998 > 25 26 F 0.74221209536307 0.40927828389789 0.56735323602247 18.998 > 25 27 F 0.24221209536307 0.90927828389789 0.56735323602247 18.998 > 25 28 F 0.74221209536307 0.90927828389789 0.56735323602247 18.998 > 25 29 F 0.25778790463693 0.15927828389789 0.93264676397753 18.998 > 29 30 F 0.75778790463693 0.15927828389789 0.93264676397753 18.998 > 29 31 F 0.25778790463693 0.65927828389789 0.93264676397753 18.998 > 29 32 F 0.75778790463693 0.65927828389789 0.93264676397753 18.998 > 29 33 F 0.39397914075380 0.03316595881227 0.10119999855946 18.998 > 33 34 F 0.89397914075380 0.03316595881227 0.10119999855946 18.998 > 33 35 F 0.39397914075380 0.53316595881227 0.10119999855946 18.998 > 33 36 F 0.89397914075380 0.53316595881227 0.10119999855946 18.998 > 33 37 F 0.39397914075380 0.21683404118773 0.60119999855946 18.998 > 37 38 F 0.89397914075380 0.21683404118773 0.60119999855946 18.998 > 37 39 F 0.39397914075380 0.71683404118773 0.60119999855946 18.998 > 37 40 F 0.89397914075380 0.71683404118773 0.60119999855946 18.998 > 37 41 F 0.10602085924620 0.28316595881227 0.39880000144054 18.998 > 41 42 F 0.60602085924620 0.28316595881227 0.39880000144054 18.998 > 41 43 F 0.10602085924620 0.78316595881227 0.39880000144054 18.998 > 41 44 F 0.60602085924620 0.78316595881227 0.39880000144054 18.998 > 41 45 F 0.10602085924620 0.46683404118773 0.89880000144054 18.998 > 45 46 F 0.60602085924620 0.46683404118773 0.89880000144054 18.998 > 45 47 F 0.10602085924620 0.96683404118773 0.89880000144054 18.998 > 45 48 F 0.60602085924620 0.96683404118773 0.89880000144054 18.998 > 45 49 F 0.33713842044448 0.05340645169076 0.79022573153851 18.998 > 49 50 F 0.83713842044448 0.05340645169076 0.79022573153851 18.998 > 49 51 F 0.33713842044448 0.55340645169076 0.79022573153851 18.998 > 49 52 F 0.83713842044448 0.55340645169076 0.79022573153851 18.998 > 49 53 F 0.16286157955552 0.30340645169076 0.70977426846149 18.998 > 53 54 F 0.66286157955552 0.30340645169076 0.70977426846149 18.998 > 53 55 F 0.16286157955552 0.80340645169076 0.70977426846149 18.998 > 53 56 F 0.66286157955552 0.80340645169076 0.70977426846149 18.998 > 53 57 F 0.16286157955552 0.44659354830924 0.20977426846149 18.998 > 57 58 F 0.66286157955552 0.44659354830924 0.20977426846149 18.998 > 57 59 F 0.16286157955552 0.94659354830924 0.20977426846149 18.998 > 57 60 F 0.66286157955552 0.94659354830924 0.20977426846149 18.998 > 57 61 F 0.33713842044448 0.19659354830924 0.29022573153851 18.998 > 61 62 F 0.83713842044448 0.19659354830924 0.29022573153851 18.998 > 61 63 F 0.33713842044448 0.69659354830924 0.29022573153851 18.998 > 61 64 F 0.83713842044448 0.69659354830924 0.29022573153851 18.998 > 61 65 F 0.00883512102626 0.15241182297097 0.02119655757168 18.998 > 65 66 F 0.50883512102626 0.15241182297097 0.02119655757168 18.998 > 65 67 F 0.00883512102626 0.65241182297097 0.02119655757168 18.998 > 65 68 F 0.50883512102626 0.65241182297097 0.02119655757168 18.998 > 65 69 F 0.49116487897374 0.40241182297097 0.47880344242832 18.998 > 69 70 F 0.99116487897374 0.40241182297097 0.47880344242832 18.998 > 69 71 F 0.49116487897374 0.90241182297097 0.47880344242832 18.998 > 69 72 F 0.99116487897374 0.90241182297097 0.47880344242832 18.998 > 69 73 F 0.49116487897374 0.34758817702903 0.97880344242832 18.998 > 73 74 F 0.99116487897374 0.34758817702903 0.97880344242832 18.998 > 73 75 F 0.49116487897374 0.84758817702903 0.97880344242832 18.998 > 73 76 F 0.99116487897374 0.84758817702903 0.97880344242832 18.998 > 73 77 F 0.00883512102626 0.09758817702903 0.52119655757168 18.998 > 77 78 F 0.50883512102626 0.09758817702903 0.52119655757168 18.998 > 77 79 F 0.00883512102626 0.59758817702903 0.52119655757168 18.998 > 77 80 F 0.50883512102626 0.59758817702903 0.52119655757168 18.998 > 77 81 Na 0.29365630630710 0.32815584277907 0.37423405031027 22.990 > 81 82 Na 0.79365630630710 0.32815584277907 0.37423405031027 22.990 > 81 83 Na 0.29365630630710 0.82815584277907 0.37423405031027 22.990 > 81 84 Na 0.79365630630710 0.82815584277907 0.37423405031027 22.990 > 81 85 Na 0.20634369369290 0.07815584277907 0.12576594968973 22.990 > 85 86 Na 0.70634369369290 0.07815584277907 0.12576594968973 22.990 > 85 87 Na 0.20634369369290 0.57815584277907 0.12576594968973 22.990 > 85 88 Na 0.70634369369290 0.57815584277907 0.12576594968973 22.990 > 85 89 Na 0.20634369369290 0.17184415722093 0.62576594968973 22.990 > 89 90 Na 0.70634369369290 0.17184415722093 0.62576594968973 22.990 > 89 91 Na 0.20634369369290 0.67184415722093 0.62576594968973 22.990 > 89 92 Na 0.70634369369290 0.67184415722093 0.62576594968973 22.990 > 89 93 Na 0.29365630630710 0.42184415722093 0.87423405031027 22.990 > 93 94 Na 0.79365630630710 0.42184415722093 0.87423405031027 22.990 > 93 95 Na 0.29365630630710 0.92184415722093 0.87423405031027 22.990 > 93 96 Na 0.79365630630710 0.92184415722093 0.87423405031027 22.990 > 93 97 Na 0.42727593220239 0.25668178935344 0.13521985949257 22.990 > 97 98 Na 0.92727593220239 0.25668178935344 0.13521985949257 22.990 > 97 99 Na 0.42727593220239 0.75668178935344 0.13521985949257 22.990 > 97 100 Na 0.92727593220239 0.75668178935344 0.13521985949257 22.990 > 97 101 Na 0.07272406779761 0.00668178935343 0.36478014050743 22.990 > 101 102 Na 0.57272406779761 0.00668178935343 0.36478014050743 22.990 > 101 103 Na 0.07272406779761 0.50668178935343 0.36478014050743 22.990 > 101 104 Na 0.57272406779761 0.50668178935343 0.36478014050743 22.990 > 101 105 Na 0.07272406779761 0.24331821064657 0.86478014050743 22.990 > 105 106 Na 0.57272406779761 0.24331821064657 0.86478014050743 22.990 > 105 107 Na 0.07272406779761 0.74331821064657 0.86478014050743 22.990 > 105 108 Na 0.57272406779761 0.74331821064657 0.86478014050743 22.990 > 105 109 Na 0.42727593220239 0.49331821064656 0.63521985949257 22.990 > 109 110 Na 0.92727593220239 0.49331821064656 0.63521985949257 22.990 > 109 111 Na 0.42727593220239 0.99331821064656 0.63521985949257 22.990 > 109 112 Na 0.92727593220239 0.99331821064656 0.63521985949257 22.990 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 1.8004837 0.0000000 -0.0044290 0.0000000 1.8037659 0.0000000 -0.0044292 0.0000000 1.7984632 -------------------------- Born effective charges -------------------------- 1 Be 1.6380132 -0.0050872 -0.0058833 0.0009925 1.6540643 -0.0142137 -0.0094017 -0.0070773 1.6228066 2 Be 1.6380132 -0.0050872 -0.0058833 0.0009925 1.6540643 -0.0142137 -0.0094017 -0.0070773 1.6228066 3 Be 1.6380132 0.0050872 -0.0058833 -0.0009925 1.6540643 0.0142137 -0.0094017 0.0070773 1.6228066 4 Be 1.6380132 0.0050872 -0.0058833 -0.0009925 1.6540643 0.0142137 -0.0094017 0.0070773 1.6228066 5 F -1.0448497 -0.2132993 -0.0345795 -0.2165355 -0.9528967 -0.0607064 -0.0316384 -0.0580740 -0.8315944 6 F -1.0448497 0.2132993 -0.0345795 0.2165355 -0.9528967 0.0607064 -0.0316384 0.0580740 -0.8315944 7 F -1.0448497 -0.2132993 -0.0345795 -0.2165355 -0.9528967 -0.0607064 -0.0316384 -0.0580740 -0.8315944 8 F -1.0448497 0.2132993 -0.0345795 0.2165355 -0.9528967 0.0607064 -0.0316384 0.0580740 -0.8315944 9 F -0.8401348 -0.0496872 0.0604027 -0.0541292 -0.9531521 0.1720772 0.0676251 0.1690147 -0.9991449 10 F -0.8401348 0.0496872 0.0604027 0.0541292 -0.9531521 -0.1720772 0.0676251 -0.1690147 -0.9991449 11 F -0.8401348 0.0496872 0.0604027 0.0541292 -0.9531521 -0.1720772 0.0676251 -0.1690147 -0.9991449 12 F -0.8401348 -0.0496872 0.0604027 -0.0541292 -0.9531521 0.1720772 0.0676251 0.1690147 -0.9991449 13 F -0.7655895 0.0509288 0.0979795 0.0554509 -0.9166920 -0.1419013 0.0968378 -0.1389302 -1.1000673 14 F -0.7655895 -0.0509288 0.0979795 -0.0554509 -0.9166920 0.1419013 0.0968378 0.1389302 -1.1000673 15 F -0.7655895 0.0509288 0.0979795 0.0554509 -0.9166920 -0.1419013 0.0968378 -0.1389302 -1.1000673 16 F -0.7655895 -0.0509288 0.0979795 -0.0554509 -0.9166920 0.1419013 0.0968378 0.1389302 -1.1000673 17 F -1.0847513 -0.1744119 -0.0898332 -0.1610694 -0.9359584 -0.0532900 -0.0996812 -0.0545474 -0.7841569 18 F -1.0847513 0.1744119 -0.0898332 0.1610694 -0.9359584 0.0532900 -0.0996812 0.0545474 -0.7841569 19 F -1.0847513 -0.1744119 -0.0898332 -0.1610694 -0.9359584 -0.0532900 -0.0996812 -0.0545474 -0.7841569 20 F -1.0847513 0.1744119 -0.0898332 0.1610694 -0.9359584 0.0532900 -0.0996812 0.0545474 -0.7841569 21 Na 1.0503820 -0.0242387 -0.0109657 -0.0399178 1.0460443 -0.0489639 -0.0145715 -0.0453580 1.0316430 22 Na 1.0503820 0.0242387 -0.0109657 0.0399178 1.0460443 0.0489639 -0.0145715 0.0453580 1.0316430 23 Na 1.0503820 -0.0242387 -0.0109657 -0.0399178 1.0460443 -0.0489639 -0.0145715 -0.0453580 1.0316430 24 Na 1.0503820 0.0242387 -0.0109657 0.0399178 1.0460443 0.0489639 -0.0145715 0.0453580 1.0316430 25 Na 1.0469300 0.0204237 -0.0171205 0.0237596 1.0585906 0.0202327 -0.0091700 0.0174873 1.0605141 26 Na 1.0469300 -0.0204237 -0.0171205 -0.0237596 1.0585906 -0.0202327 -0.0091700 -0.0174873 1.0605141 27 Na 1.0469300 0.0204237 -0.0171205 0.0237596 1.0585906 0.0202327 -0.0091700 0.0174873 1.0605141 28 Na 1.0469300 -0.0204237 -0.0171205 -0.0237596 1.0585906 -0.0202327 -0.0091700 -0.0174873 1.0605141 ---------------------------------------------------------------------------- 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 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 10 6 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 307, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/128) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.298 ( 0.000 0.000 0.000) 0.000 2.623 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 2.740 ( 0.000 0.000 0.000) 0.000 2.764 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 2.802 ( 0.000 0.000 0.000) 0.000 3.024 ( 0.000 0.000 0.000) 0.000 3.230 ( 0.000 0.000 0.000) 0.000 3.252 ( 0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.763 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 4.058 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.406 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.710 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 5.253 ( 0.000 0.000 0.000) 0.000 5.355 ( 0.000 0.000 0.000) 0.000 5.357 ( 0.000 0.000 0.000) 0.000 5.416 ( 0.000 0.000 0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.558 ( 0.000 0.000 0.000) 0.000 5.681 ( 0.000 0.000 0.000) 0.000 5.856 ( 0.000 0.000 0.000) 0.000 5.859 ( 0.000 0.000 0.000) 0.000 5.902 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 0.000 0.000) 0.000 6.125 ( 0.000 0.000 0.000) 0.000 6.256 ( 0.000 0.000 0.000) 0.000 6.258 ( 0.000 0.000 0.000) 0.000 6.264 ( 0.000 0.000 0.000) 0.000 6.529 ( 0.000 0.000 0.000) 0.000 6.549 ( 0.000 0.000 0.000) 0.000 6.551 ( 0.000 0.000 0.000) 0.000 6.845 ( 0.000 0.000 0.000) 0.000 6.907 ( 0.000 0.000 0.000) 0.000 7.243 ( 0.000 0.000 0.000) 0.000 7.247 ( 0.000 0.000 0.000) 0.000 7.755 ( 0.000 0.000 0.000) 0.000 7.986 ( 0.000 0.000 0.000) 0.000 8.136 ( 0.000 0.000 0.000) 0.000 8.305 ( 0.000 0.000 0.000) 0.000 8.400 ( 0.000 0.000 0.000) 0.000 8.499 ( 0.000 0.000 0.000) 0.000 8.766 ( 0.000 0.000 0.000) 0.000 9.155 ( 0.000 0.000 0.000) 0.000 10.846 ( 0.000 0.000 0.000) 0.000 10.934 ( 0.000 0.000 0.000) 0.000 10.998 ( 0.000 0.000 0.000) 0.000 11.356 ( 0.000 0.000 0.000) 0.000 11.393 ( 0.000 0.000 0.000) 0.000 11.449 ( 0.000 0.000 0.000) 0.000 11.606 ( 0.000 0.000 0.000) 0.000 11.609 ( 0.000 0.000 0.000) 0.000 11.662 ( 0.000 0.000 0.000) 0.000 11.778 ( 0.000 0.000 0.000) 0.000 11.904 ( 0.000 0.000 0.000) 0.000 11.923 ( 0.000 0.000 0.000) 0.000 16.523 ( 0.000 0.000 0.000) 0.000 16.537 ( 0.000 0.000 0.000) 0.000 16.597 ( 0.000 0.000 0.000) 0.000 16.601 ( 0.000 0.000 0.000) 0.000 22.822 ( 0.000 0.000 0.000) 0.000 23.078 ( 0.000 0.000 0.000) 0.000 23.176 ( 0.000 0.000 0.000) 0.000 23.610 ( 0.000 0.000 0.000) 0.000 24.446 ( 0.000 0.000 0.000) 0.000 24.541 ( 0.000 0.000 0.000) 0.000 24.784 ( 0.000 0.000 0.000) 0.000 25.106 ( 0.000 0.000 0.000) 0.000 25.485 ( 0.000 0.000 0.000) 0.000 25.491 ( 0.000 0.000 0.000) 0.000 26.772 ( 0.000 0.000 0.000) 0.000 26.848 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/128) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 26.227 0.000 8.309) 27.511 0.574 ( 23.932 0.000 13.847) 27.649 0.997 ( 45.713 0.000 14.733) 48.029 2.435 ( 9.541 0.000 6.811) 11.722 2.623 ( -0.173 0.000 0.115) 0.208 2.661 ( -2.969 0.000 -0.085) 2.970 2.714 ( -1.346 0.000 -3.320) 3.582 2.799 ( 6.690 0.000 -0.263) 6.696 2.894 ( 10.677 0.000 -4.591) 11.622 2.915 ( 3.242 0.000 4.869) 5.850 3.114 ( 7.968 0.000 0.681) 7.997 3.235 ( -0.752 0.000 -1.496) 1.674 3.277 ( 4.193 0.000 2.999) 5.155 3.506 ( -4.806 0.000 -8.952) 10.160 3.788 ( 3.467 0.000 -2.008) 4.006 3.981 ( -8.885 0.000 1.386) 8.993 3.997 ( 0.595 0.000 -2.789) 2.852 4.083 ( -1.077 0.000 -4.651) 4.774 4.143 ( -5.243 0.000 -1.219) 5.382 4.303 ( 3.471 0.000 -1.730) 3.878 4.418 ( -0.212 0.000 1.481) 1.496 4.449 ( -3.349 0.000 2.571) 4.222 4.623 ( -3.391 0.000 -3.931) 5.192 4.696 ( -1.212 0.000 -1.597) 2.005 4.843 ( -9.246 0.000 2.070) 9.474 4.912 ( -9.678 0.000 15.009) 17.858 5.154 ( -4.344 0.000 -10.744) 11.588 5.302 ( -2.489 0.000 -2.596) 3.597 5.348 ( -0.734 0.000 -2.756) 2.852 5.399 ( -3.529 0.000 8.928) 9.600 5.450 ( -2.600 0.000 3.888) 4.677 5.583 ( -1.902 0.000 4.216) 4.625 5.713 ( 0.504 0.000 -0.129) 0.520 5.792 ( -0.973 0.000 -1.269) 1.599 5.933 ( 0.673 0.000 2.568) 2.655 6.092 ( 2.452 0.000 -2.934) 3.824 6.110 ( -4.128 0.000 -5.349) 6.757 6.179 ( 3.747 0.000 -0.073) 3.748 6.230 ( -1.760 0.000 15.074) 15.176 6.305 ( 3.737 0.000 0.465) 3.766 6.369 ( 5.320 0.000 -1.008) 5.415 6.523 ( -0.122 0.000 1.054) 1.061 6.562 ( -2.436 0.000 7.957) 8.322 6.773 ( -6.071 0.000 6.775) 9.097 6.933 ( 6.666 0.000 1.353) 6.802 6.986 ( 5.520 0.000 1.628) 5.755 7.241 ( -3.170 0.000 4.037) 5.133 7.803 ( 4.622 0.000 2.408) 5.212 7.936 ( -4.483 0.000 -0.532) 4.514 8.094 ( 7.628 0.000 -12.393) 14.552 8.300 ( -0.830 0.000 0.663) 1.062 8.388 ( -0.924 0.000 0.275) 0.964 8.423 ( -5.851 0.000 -4.390) 7.315 8.771 ( 1.406 0.000 -1.857) 2.329 8.798 ( 1.450 0.000 -6.685) 6.841 9.177 ( -5.282 0.000 -6.595) 8.450 10.892 ( 3.763 0.000 1.879) 4.206 10.995 ( -0.401 0.000 1.487) 1.540 11.045 ( 4.009 0.000 -1.558) 4.301 11.354 ( -0.105 0.000 -0.432) 0.445 11.369 ( -1.420 0.000 -1.521) 2.081 11.431 ( -2.952 0.000 1.626) 3.370 11.594 ( -1.918 0.000 1.766) 2.607 11.595 ( -0.879 0.000 -0.606) 1.068 11.682 ( 2.463 0.000 -2.041) 3.199 11.780 ( 0.009 0.000 -0.082) 0.083 11.919 ( -0.973 0.000 0.578) 1.132 11.941 ( 3.127 0.000 0.899) 3.253 16.521 ( -1.230 0.000 -0.705) 1.418 16.524 ( -0.242 0.000 0.362) 0.436 16.602 ( 0.258 0.000 0.313) 0.406 16.605 ( 0.240 0.000 0.313) 0.394 23.112 ( 4.896 0.000 -2.405) 5.455 23.233 ( 5.226 0.000 1.514) 5.441 23.614 ( 2.347 0.000 -3.674) 4.360 24.311 ( 0.394 0.000 3.391) 3.414 24.551 ( 0.777 0.000 0.673) 1.028 24.653 ( 13.112 0.000 -41.348) 43.377 24.921 ( 30.933 0.000 -48.958) 57.912 25.146 ( 3.109 0.000 2.051) 3.725 25.502 ( 1.443 0.000 0.692) 1.601 26.231 ( -44.273 0.000 79.267) 90.793 26.630 ( -6.626 0.000 -11.428) 13.210 26.870 ( -5.765 0.000 10.759) 12.207 ======================= Grid point 2 (3/128) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 24.854 0.000 7.316) 25.908 1.118 ( 21.946 0.000 12.565) 25.288 1.884 ( 35.903 0.000 13.399) 38.322 2.518 ( -8.812 0.000 -7.231) 11.399 2.621 ( 3.795 0.000 -2.122) 4.348 2.638 ( 0.097 0.000 3.624) 3.625 2.742 ( 5.175 0.000 7.596) 9.192 2.909 ( 6.606 0.000 -5.774) 8.774 3.021 ( 8.056 0.000 -7.485) 10.997 3.057 ( 8.202 0.000 3.196) 8.802 3.264 ( 6.877 0.000 -2.195) 7.219 3.266 ( 6.913 0.000 3.205) 7.620 3.418 ( 0.581 0.000 -0.490) 0.760 3.453 ( 10.153 0.000 3.055) 10.603 3.817 ( 2.607 0.000 -6.295) 6.813 3.842 ( -4.546 0.000 -0.446) 4.568 3.998 ( 0.755 0.000 -2.993) 3.087 4.008 ( -3.553 0.000 -0.350) 3.570 4.024 ( -1.199 0.000 -1.749) 2.120 4.296 ( -1.528 0.000 -3.721) 4.023 4.367 ( -6.951 0.000 -5.717) 9.000 4.424 ( 1.661 0.000 -2.591) 3.078 4.472 ( -9.186 0.000 3.774) 9.931 4.620 ( -4.447 0.000 -3.601) 5.722 4.721 ( -6.204 0.000 3.742) 7.245 4.885 ( -3.601 0.000 4.719) 5.936 4.939 ( -4.178 0.000 -13.778) 14.397 5.246 ( -1.496 0.000 -2.530) 2.940 5.274 ( -5.244 0.000 -0.537) 5.271 5.448 ( -2.454 0.000 5.687) 6.194 5.469 ( 1.143 0.000 6.169) 6.274 5.560 ( -4.139 0.000 4.187) 5.887 5.712 ( -2.772 0.000 4.640) 5.406 5.742 ( -3.109 0.000 -1.494) 3.449 5.958 ( -0.341 0.000 2.290) 2.315 5.976 ( -4.339 0.000 -5.653) 7.126 6.149 ( 2.628 0.000 2.872) 3.893 6.266 ( 6.175 0.000 -0.682) 6.213 6.268 ( -7.137 0.000 7.828) 10.593 6.400 ( 6.359 0.000 0.040) 6.359 6.470 ( 6.265 0.000 -0.989) 6.343 6.578 ( 3.302 0.000 3.926) 5.130 6.624 ( 0.612 0.000 7.584) 7.609 6.746 ( 1.558 0.000 -3.511) 3.841 7.008 ( 0.851 0.000 -3.698) 3.794 7.101 ( 6.600 0.000 -1.285) 6.724 7.205 ( -7.600 0.000 9.001) 11.781 7.830 ( -5.777 0.000 -1.904) 6.082 7.983 ( 9.244 0.000 7.661) 12.006 8.075 ( 3.362 0.000 -16.050) 16.398 8.239 ( -10.582 0.000 1.928) 10.756 8.309 ( 2.322 0.000 0.396) 2.356 8.387 ( -0.145 0.000 1.531) 1.538 8.744 ( -3.330 0.000 -0.775) 3.419 8.777 ( 1.562 0.000 -2.471) 2.924 8.967 ( -10.828 0.000 -5.006) 11.929 11.000 ( 4.872 0.000 3.138) 5.795 11.014 ( 0.560 0.000 1.953) 2.032 11.119 ( 5.265 0.000 -0.728) 5.316 11.327 ( -1.108 0.000 -1.876) 2.179 11.348 ( -0.753 0.000 0.862) 1.145 11.385 ( -3.800 0.000 2.433) 4.512 11.565 ( -1.218 0.000 -1.306) 1.786 11.579 ( -1.542 0.000 1.224) 1.969 11.697 ( 1.421 0.000 -2.189) 2.610 11.786 ( 0.883 0.000 -0.601) 1.068 11.889 ( -2.823 0.000 0.035) 2.823 12.015 ( 3.847 0.000 0.781) 3.926 16.485 ( -1.725 0.000 -0.857) 1.926 16.524 ( -0.265 0.000 0.622) 0.676 16.609 ( 0.213 0.000 0.223) 0.309 16.613 ( 0.196 0.000 0.353) 0.404 23.198 ( 7.752 0.000 -3.879) 8.669 23.372 ( 7.489 0.000 2.274) 7.827 23.618 ( 3.390 0.000 -6.455) 7.291 24.366 ( 5.012 0.000 -3.031) 5.857 24.484 ( 0.968 0.000 -18.075) 18.101 24.587 ( 2.102 0.000 1.811) 2.775 24.981 ( 13.074 0.000 -19.891) 23.802 25.247 ( 4.158 0.000 5.081) 6.566 25.536 ( 1.178 0.000 0.125) 1.185 26.191 ( -22.646 0.000 36.205) 42.704 26.351 ( -10.833 0.000 -11.954) 16.132 26.849 ( -8.162 0.000 11.778) 14.330 ======================= Grid point 3 (4/128) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 16.598 0.000 9.493) 19.121 1.586 ( 22.295 0.000 5.818) 23.042 2.288 ( -5.751 0.000 -8.117) 9.948 2.424 ( 10.089 0.000 4.890) 11.211 2.677 ( 1.472 0.000 -1.003) 1.781 2.690 ( 7.592 0.000 2.594) 8.023 2.894 ( 2.349 0.000 6.401) 6.818 2.921 ( 2.836 0.000 -4.385) 5.222 3.024 ( -2.629 0.000 -4.520) 5.228 3.256 ( 11.161 0.000 -0.497) 11.172 3.311 ( 1.642 0.000 0.684) 1.778 3.433 ( 3.913 0.000 5.796) 6.993 3.503 ( 4.194 0.000 0.854) 4.280 3.575 ( 5.933 0.000 -7.804) 9.803 3.741 ( -1.154 0.000 -3.641) 3.819 3.883 ( 5.108 0.000 0.223) 5.113 3.979 ( 3.056 0.000 1.248) 3.301 3.983 ( -0.207 0.000 2.051) 2.062 4.098 ( -3.039 0.000 -3.332) 4.510 4.198 ( -4.102 0.000 -3.867) 5.637 4.209 ( 6.300 0.000 2.824) 6.904 4.397 ( -1.855 0.000 -6.904) 7.148 4.408 ( -2.663 0.000 1.984) 3.321 4.473 ( -5.253 0.000 -3.856) 6.516 4.683 ( -1.689 0.000 2.556) 3.064 4.831 ( 5.605 0.000 -9.544) 11.068 4.890 ( 0.193 0.000 2.704) 2.711 5.152 ( -8.179 0.000 1.160) 8.261 5.187 ( -2.948 0.000 -1.296) 3.220 5.475 ( -0.141 0.000 4.334) 4.336 5.480 ( -1.762 0.000 0.561) 1.849 5.586 ( 1.470 0.000 3.420) 3.723 5.688 ( -0.985 0.000 -1.056) 1.444 5.709 ( -3.557 0.000 6.540) 7.445 5.854 ( -2.914 0.000 -5.179) 5.943 5.953 ( -2.821 0.000 3.128) 4.212 6.191 ( -7.572 0.000 5.184) 9.177 6.222 ( 1.477 0.000 4.075) 4.335 6.358 ( 4.453 0.000 -1.542) 4.713 6.502 ( -0.141 0.000 -2.696) 2.700 6.513 ( 5.628 0.000 -0.603) 5.660 6.688 ( 4.813 0.000 0.263) 4.820 6.694 ( -2.107 0.000 4.682) 5.134 6.784 ( 6.194 0.000 -1.795) 6.449 6.911 ( -4.907 0.000 -1.640) 5.173 7.148 ( -6.639 0.000 5.348) 8.525 7.182 ( 4.345 0.000 -2.985) 5.272 7.691 ( -6.077 0.000 -5.910) 8.477 7.854 ( -10.432 0.000 -9.391) 14.037 8.160 ( -2.209 0.000 1.469) 2.653 8.201 ( 5.391 0.000 6.039) 8.095 8.409 ( 0.482 0.000 3.054) 3.091 8.440 ( 9.562 0.000 4.170) 10.432 8.660 ( -5.153 0.000 -1.493) 5.365 8.739 ( -9.077 0.000 -1.864) 9.266 8.784 ( 1.945 0.000 -1.822) 2.665 11.049 ( 1.028 0.000 1.993) 2.243 11.107 ( 3.069 0.000 3.647) 4.766 11.214 ( 5.910 0.000 -0.865) 5.973 11.292 ( -1.265 0.000 -1.104) 1.679 11.344 ( -1.179 0.000 2.068) 2.380 11.357 ( -1.443 0.000 1.717) 2.242 11.530 ( -1.051 0.000 -1.615) 1.927 11.556 ( -1.697 0.000 -0.180) 1.706 11.694 ( 0.380 0.000 -1.336) 1.390 11.794 ( 0.610 0.000 -0.795) 1.002 11.820 ( -3.836 0.000 -1.357) 4.069 12.086 ( 3.125 0.000 0.472) 3.160 16.447 ( -1.608 0.000 -0.712) 1.758 16.527 ( -0.123 0.000 0.737) 0.747 16.614 ( 0.175 0.000 0.082) 0.194 16.617 ( -0.045 0.000 0.147) 0.153 23.302 ( 7.679 0.000 -3.816) 8.575 23.526 ( 6.655 0.000 2.425) 7.083 23.607 ( 2.696 0.000 -7.113) 7.606 24.298 ( 0.572 0.000 -16.747) 16.757 24.473 ( 2.800 0.000 4.037) 4.913 24.669 ( 4.389 0.000 3.505) 5.617 25.004 ( 6.328 0.000 -11.193) 12.858 25.390 ( 5.622 0.000 5.804) 8.080 25.508 ( -4.028 0.000 -3.079) 5.070 26.060 ( -8.423 0.000 -9.037) 12.353 26.119 ( -15.516 0.000 19.652) 25.039 26.824 ( -6.718 0.000 11.120) 12.992 ======================= Grid point 4 (5/128) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 6.036 0.000 2.749) 6.633 1.999 ( 18.008 0.000 3.979) 18.442 2.200 ( 0.824 0.000 -3.811) 3.899 2.458 ( -3.909 0.000 -0.788) 3.987 2.672 ( 2.221 0.000 -3.704) 4.319 2.843 ( 1.161 0.000 6.998) 7.094 2.885 ( -3.856 0.000 -1.477) 4.130 2.941 ( 1.396 0.000 -2.514) 2.876 2.979 ( 0.131 0.000 3.750) 3.752 3.370 ( 3.813 0.000 -0.913) 3.921 3.385 ( 4.269 0.000 -3.003) 5.220 3.416 ( -2.950 0.000 0.287) 2.964 3.557 ( 1.459 0.000 1.403) 2.025 3.651 ( 7.665 0.000 -3.505) 8.428 3.702 ( -5.923 0.000 0.767) 5.973 3.823 ( -5.975 0.000 -1.686) 6.209 4.000 ( -3.954 0.000 -0.463) 3.981 4.033 ( -3.796 0.000 -1.680) 4.151 4.070 ( 8.568 0.000 2.666) 8.974 4.206 ( 0.338 0.000 -8.892) 8.898 4.296 ( 6.460 0.000 4.384) 7.808 4.347 ( -1.145 0.000 3.380) 3.569 4.432 ( 3.334 0.000 -2.989) 4.478 4.520 ( 13.414 0.000 3.885) 13.966 4.699 ( 1.651 0.000 -0.303) 1.679 4.859 ( 2.506 0.000 -6.131) 6.623 4.913 ( -0.642 0.000 -0.425) 0.770 5.046 ( -4.619 0.000 3.307) 5.681 5.120 ( -3.887 0.000 0.960) 4.004 5.484 ( 2.574 0.000 -1.180) 2.832 5.514 ( 0.780 0.000 1.479) 1.672 5.619 ( 0.041 0.000 0.860) 0.861 5.686 ( 0.882 0.000 -0.184) 0.901 5.713 ( -1.873 0.000 5.229) 5.554 5.789 ( -0.471 0.000 -1.995) 2.049 5.942 ( -0.938 0.000 2.699) 2.857 6.104 ( -5.987 0.000 2.186) 6.374 6.274 ( 0.405 0.000 2.798) 2.828 6.389 ( 1.558 0.000 -3.096) 3.466 6.458 ( -0.876 0.000 -2.648) 2.789 6.487 ( -8.929 0.000 -1.720) 9.093 6.657 ( -0.460 0.000 3.239) 3.272 6.745 ( 3.799 0.000 -3.337) 5.056 6.910 ( 2.205 0.000 1.609) 2.730 6.918 ( 7.237 0.000 3.689) 8.123 7.077 ( -4.512 0.000 1.257) 4.684 7.198 ( 0.969 0.000 -2.841) 3.002 7.444 ( -11.624 0.000 -10.382) 15.585 7.656 ( -5.991 0.000 0.095) 5.992 8.146 ( -0.270 0.000 -0.052) 0.275 8.301 ( 2.467 0.000 1.364) 2.819 8.449 ( 0.799 0.000 2.516) 2.640 8.544 ( -4.480 0.000 -1.008) 4.592 8.627 ( -3.622 0.000 -0.217) 3.628 8.644 ( 5.287 0.000 4.538) 6.967 8.827 ( 3.802 0.000 0.392) 3.822 11.083 ( 0.790 0.000 1.334) 1.550 11.175 ( 0.895 0.000 2.779) 2.919 11.269 ( -0.605 0.000 0.237) 0.650 11.301 ( 4.899 0.000 -2.186) 5.365 11.347 ( -1.357 0.000 3.412) 3.672 11.353 ( -0.342 0.000 0.148) 0.372 11.498 ( -0.912 0.000 -1.257) 1.553 11.515 ( -1.771 0.000 -1.314) 2.205 11.689 ( -0.167 0.000 -0.140) 0.219 11.746 ( -2.069 0.000 -1.721) 2.691 11.792 ( 0.074 0.000 -0.665) 0.669 12.133 ( 1.688 0.000 0.207) 1.700 16.417 ( -0.961 0.000 -0.396) 1.039 16.533 ( 0.023 0.000 0.553) 0.554 16.615 ( -0.175 0.000 -0.047) 0.181 16.617 ( 0.119 0.000 0.010) 0.119 23.390 ( 5.086 0.000 -2.175) 5.532 23.579 ( 0.921 0.000 -4.856) 4.943 23.648 ( 4.188 0.000 2.098) 4.684 24.161 ( -1.460 0.000 -8.607) 8.730 24.559 ( 2.886 0.000 2.089) 3.563 24.819 ( 7.445 0.000 5.460) 9.232 24.996 ( 2.119 0.000 -5.558) 5.948 25.315 ( -10.689 0.000 -7.171) 12.872 25.549 ( 6.428 0.000 3.423) 7.283 25.910 ( -2.138 0.000 -3.398) 4.015 26.021 ( -10.651 0.000 9.208) 14.080 26.824 ( -3.281 0.000 7.009) 7.739 ======================= Grid point 5 (6/128) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.277 ( 0.000 0.000 0.000) 0.000 2.324 ( -0.000 0.000 -0.000) 0.000 2.680 ( 0.000 0.000 -0.000) 0.000 2.875 ( 0.000 0.000 0.000) 0.000 2.878 ( -0.000 0.000 0.000) 0.000 2.940 ( 0.000 0.000 -0.000) 0.000 2.981 ( 0.000 0.000 0.000) 0.000 3.389 ( 0.000 0.000 -0.000) 0.000 3.404 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.581 ( 0.000 0.000 -0.000) 0.000 3.630 ( 0.000 0.000 -0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 -0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 4.356 ( 0.000 0.000 0.000) 0.000 4.366 ( 0.000 0.000 0.000) 0.000 4.526 ( -0.000 0.000 -0.000) 0.000 4.714 ( 0.000 0.000 0.000) 0.000 4.766 ( -0.000 0.000 -0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 5.030 ( 0.000 0.000 -0.000) 0.000 5.089 ( 0.000 0.000 0.000) 0.000 5.513 ( 0.000 0.000 0.000) 0.000 5.525 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.696 ( 0.000 0.000 -0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 5.777 ( 0.000 0.000 0.000) 0.000 5.963 ( 0.000 0.000 -0.000) 0.000 6.048 ( 0.000 0.000 0.000) 0.000 6.282 ( 0.000 0.000 0.000) 0.000 6.344 ( 0.000 0.000 0.000) 0.000 6.404 ( 0.000 0.000 0.000) 0.000 6.436 ( 0.000 0.000 0.000) 0.000 6.679 ( 0.000 0.000 -0.000) 0.000 6.764 ( 0.000 0.000 0.000) 0.000 6.949 ( 0.000 0.000 0.000) 0.000 7.032 ( 0.000 0.000 -0.000) 0.000 7.089 ( -0.000 0.000 -0.000) 0.000 7.187 ( 0.000 0.000 0.000) 0.000 7.189 ( -0.000 0.000 -0.000) 0.000 7.605 ( 0.000 0.000 0.000) 0.000 8.145 ( 0.000 0.000 0.000) 0.000 8.328 ( 0.000 0.000 0.000) 0.000 8.471 ( 0.000 0.000 -0.000) 0.000 8.501 ( 0.000 0.000 0.000) 0.000 8.591 ( 0.000 0.000 0.000) 0.000 8.705 ( 0.000 0.000 0.000) 0.000 8.880 ( 0.000 0.000 0.000) 0.000 11.098 ( 0.000 0.000 0.000) 0.000 11.195 ( 0.000 0.000 0.000) 0.000 11.268 ( 0.000 0.000 -0.000) 0.000 11.330 ( 0.000 0.000 0.000) 0.000 11.350 ( 0.000 0.000 0.000) 0.000 11.361 ( 0.000 0.000 0.000) 0.000 11.480 ( 0.000 0.000 0.000) 0.000 11.487 ( 0.000 0.000 -0.000) 0.000 11.686 ( 0.000 0.000 0.000) 0.000 11.720 ( 0.000 0.000 -0.000) 0.000 11.788 ( 0.000 0.000 0.000) 0.000 12.149 ( 0.000 0.000 0.000) 0.000 16.407 ( 0.000 0.000 0.000) 0.000 16.536 ( 0.000 0.000 0.000) 0.000 16.612 ( 0.000 0.000 0.000) 0.000 16.618 ( 0.000 0.000 0.000) 0.000 23.430 ( 0.000 0.000 -0.000) 0.000 23.559 ( 0.000 0.000 0.000) 0.000 23.701 ( 0.000 0.000 0.000) 0.000 24.101 ( 0.000 0.000 -0.000) 0.000 24.599 ( 0.000 0.000 0.000) 0.000 24.986 ( 0.000 0.000 0.000) 0.000 25.025 ( 0.000 0.000 0.000) 0.000 25.063 ( -0.000 0.000 -0.000) 0.000 25.640 ( 0.000 0.000 0.000) 0.000 25.880 ( 0.000 0.000 0.000) 0.000 25.954 ( 0.000 0.000 0.000) 0.000 26.831 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/128) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 0.000 26.345 0.000) 26.345 0.620 ( 0.000 29.309 0.000) 29.309 0.994 ( 0.000 46.331 0.000) 46.331 2.223 ( 0.000 -6.832 0.000) 6.832 2.558 ( 0.000 -9.626 0.000) 9.626 2.596 ( 0.000 -3.549 0.000) 3.549 2.690 ( 0.000 -0.992 0.000) 0.992 2.753 ( 0.000 -5.272 0.000) 5.272 2.875 ( 0.000 -0.584 0.000) 0.584 2.955 ( 0.000 3.964 0.000) 3.964 2.961 ( 0.000 10.554 0.000) 10.554 3.276 ( 0.000 3.673 0.000) 3.673 3.445 ( 0.000 8.713 0.000) 8.713 3.621 ( 0.000 -2.326 0.000) 2.326 3.708 ( 0.000 -2.577 0.000) 2.577 3.956 ( 0.000 -1.614 0.000) 1.614 4.064 ( 0.000 -5.971 0.000) 5.971 4.164 ( 0.000 1.832 0.000) 1.832 4.201 ( 0.000 1.712 0.000) 1.712 4.230 ( 0.000 -1.871 0.000) 1.871 4.330 ( 0.000 -6.951 0.000) 6.951 4.464 ( 0.000 -5.465 0.000) 5.465 4.564 ( 0.000 -3.633 0.000) 3.633 4.679 ( 0.000 0.956 0.000) 0.956 4.827 ( 0.000 1.759 0.000) 1.759 4.924 ( 0.000 0.210 0.000) 0.210 5.175 ( 0.000 -5.476 0.000) 5.476 5.230 ( 0.000 -10.443 0.000) 10.443 5.314 ( 0.000 -3.654 0.000) 3.654 5.411 ( 0.000 0.227 0.000) 0.227 5.487 ( 0.000 -5.913 0.000) 5.913 5.574 ( 0.000 6.515 0.000) 6.515 5.582 ( 0.000 -6.380 0.000) 6.380 5.921 ( 0.000 0.358 0.000) 0.358 5.943 ( 0.000 3.159 0.000) 3.159 6.020 ( 0.000 -0.436 0.000) 0.436 6.122 ( 0.000 1.250 0.000) 1.250 6.176 ( 0.000 -1.826 0.000) 1.826 6.296 ( 0.000 1.586 0.000) 1.586 6.329 ( 0.000 1.607 0.000) 1.607 6.431 ( 0.000 -1.411 0.000) 1.411 6.561 ( 0.000 1.710 0.000) 1.710 6.665 ( 0.000 4.848 0.000) 4.848 6.760 ( 0.000 12.519 0.000) 12.519 6.947 ( 0.000 3.584 0.000) 3.584 7.229 ( 0.000 -0.205 0.000) 0.205 7.258 ( 0.000 0.773 0.000) 0.773 7.801 ( 0.000 4.394 0.000) 4.394 7.965 ( 0.000 -2.869 0.000) 2.869 8.069 ( 0.000 -4.265 0.000) 4.265 8.129 ( 0.000 -0.610 0.000) 0.610 8.315 ( 0.000 -1.844 0.000) 1.844 8.543 ( 0.000 2.793 0.000) 2.793 8.723 ( 0.000 -3.806 0.000) 3.806 8.991 ( 0.000 -0.985 0.000) 0.985 9.142 ( 0.000 -1.336 0.000) 1.336 10.875 ( 0.000 1.795 0.000) 1.795 10.968 ( 0.000 3.064 0.000) 3.064 11.053 ( 0.000 4.711 0.000) 4.711 11.325 ( 0.000 -2.741 0.000) 2.741 11.422 ( 0.000 -0.064 0.000) 0.064 11.449 ( 0.000 -0.199 0.000) 0.199 11.575 ( 0.000 -2.688 0.000) 2.688 11.592 ( 0.000 -1.582 0.000) 1.582 11.724 ( 0.000 -3.667 0.000) 3.667 11.731 ( 0.000 -2.094 0.000) 2.094 11.936 ( 0.000 2.477 0.000) 2.477 11.967 ( 0.000 2.877 0.000) 2.877 16.520 ( 0.000 0.044 0.000) 0.044 16.553 ( 0.000 1.133 0.000) 1.133 16.592 ( 0.000 -0.746 0.000) 0.746 16.611 ( 0.000 -0.008 0.000) 0.008 22.846 ( 0.000 2.213 0.000) 2.213 23.148 ( 0.000 -2.222 0.000) 2.222 23.210 ( 0.000 2.562 0.000) 2.562 23.578 ( 0.000 -2.942 0.000) 2.942 24.476 ( 0.000 2.779 0.000) 2.779 24.770 ( 0.000 -1.406 0.000) 1.406 25.113 ( 0.000 0.785 0.000) 0.785 25.373 ( 0.000 -4.906 0.000) 4.906 25.639 ( 0.000 8.303 0.000) 8.303 26.438 ( 0.000 -5.473 0.000) 5.473 26.872 ( 0.000 2.216 0.000) 2.216 27.132 ( 0.000 -1.678 0.000) 1.678 ======================= Grid point 12 (8/128) ======================= q-point: ( 0.10 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 14.579 18.036 4.697) 23.663 0.835 ( 18.554 20.039 3.196) 27.496 1.454 ( 31.768 32.545 13.478) 47.435 2.337 ( 7.576 -7.778 5.349) 12.104 2.531 ( -1.311 -8.844 -2.464) 9.274 2.646 ( 5.218 -4.115 -1.262) 6.764 2.663 ( -0.536 0.255 1.310) 1.438 2.831 ( 5.409 2.350 -1.769) 6.157 2.898 ( 4.632 -6.239 0.351) 7.779 2.959 ( 6.455 4.583 -2.482) 8.297 3.068 ( 5.035 5.959 2.191) 8.103 3.294 ( 1.144 3.765 0.991) 4.058 3.416 ( -1.672 5.089 -5.853) 7.934 3.521 ( -2.236 1.203 -3.486) 4.312 3.720 ( 1.957 -3.040 -1.578) 3.944 3.949 ( -2.692 -3.009 -1.568) 4.331 4.000 ( -3.703 -1.208 -0.120) 3.897 4.098 ( -3.906 1.525 -7.390) 8.496 4.176 ( -1.325 1.583 2.054) 2.912 4.210 ( 0.036 -7.485 -4.617) 8.794 4.345 ( 0.875 -4.525 -0.135) 4.611 4.458 ( -2.012 -2.752 1.991) 3.948 4.624 ( 0.963 -3.137 3.827) 5.041 4.655 ( -2.803 1.443 -1.540) 3.508 4.814 ( -5.526 -0.782 3.188) 6.427 4.863 ( -5.958 -1.187 1.358) 6.225 5.101 ( -2.320 -5.712 -3.805) 7.245 5.208 ( -2.681 -8.211 -1.817) 8.826 5.272 ( -4.188 -3.433 -4.115) 6.802 5.349 ( -2.734 -2.771 8.279) 9.148 5.515 ( -2.144 0.609 1.537) 2.707 5.605 ( 0.109 0.156 3.023) 3.029 5.669 ( 3.775 -2.334 1.810) 4.793 5.922 ( 0.640 4.935 -1.800) 5.292 5.939 ( 0.380 0.912 0.610) 1.162 6.011 ( -1.220 1.152 0.622) 1.790 6.143 ( 0.559 1.353 0.713) 1.628 6.218 ( 2.020 -0.968 1.669) 2.794 6.253 ( -2.948 1.077 2.585) 4.066 6.292 ( -0.271 2.370 2.279) 3.299 6.465 ( 3.969 4.059 -4.207) 7.066 6.487 ( -1.062 -0.944 3.583) 3.854 6.678 ( -3.285 5.037 0.598) 6.043 6.821 ( -1.401 5.509 5.513) 7.918 6.988 ( 4.766 3.607 0.512) 5.998 7.142 ( -2.286 10.485 0.947) 10.773 7.235 ( -2.217 -0.459 3.233) 3.947 7.810 ( 3.897 1.470 -1.306) 4.365 7.942 ( -4.006 0.425 -0.651) 4.081 8.064 ( 6.029 -3.230 -7.418) 10.090 8.278 ( 4.867 -6.440 3.932) 8.979 8.298 ( -1.326 -1.193 0.053) 1.785 8.521 ( -4.126 6.218 -2.394) 7.837 8.705 ( -1.774 -4.149 -4.962) 6.707 8.781 ( -4.980 -1.984 -4.718) 7.141 9.107 ( -5.506 -4.300 -3.554) 7.839 10.910 ( 3.505 1.938 1.128) 4.161 11.018 ( 2.297 2.418 0.315) 3.350 11.084 ( 2.739 4.432 1.543) 5.434 11.328 ( 0.278 -2.358 -0.285) 2.392 11.393 ( -2.362 0.587 0.197) 2.441 11.460 ( -0.129 1.176 -1.952) 2.283 11.549 ( -1.633 -3.356 0.117) 3.735 11.589 ( -1.083 -1.293 1.819) 2.480 11.719 ( 0.903 0.061 -1.716) 1.940 11.749 ( 0.338 -1.531 1.137) 1.936 11.928 ( 0.018 1.543 0.347) 1.582 11.973 ( 0.018 2.143 1.399) 2.559 16.517 ( -0.508 0.108 -0.032) 0.520 16.537 ( -1.020 0.764 -0.376) 1.329 16.600 ( 0.390 -0.239 0.585) 0.742 16.607 ( -0.215 0.011 0.040) 0.219 23.066 ( 7.064 -4.128 -0.024) 8.182 23.213 ( 5.038 -2.311 2.066) 5.915 23.516 ( 27.173 -20.150 1.027) 33.845 23.591 ( 4.897 -3.180 -4.856) 7.594 24.471 ( -0.571 2.361 0.036) 2.429 24.754 ( -1.729 -1.129 -0.313) 2.089 25.135 ( 1.908 0.819 0.870) 2.251 25.323 ( 4.375 2.383 -19.231) 19.866 25.586 ( 2.470 9.762 -7.950) 12.829 26.337 ( -15.860 -0.453 13.557) 20.869 26.772 ( -16.136 7.455 2.399) 17.936 26.907 ( -12.445 3.608 8.795) 15.661 ======================= Grid point 13 (9/128) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 19.249 4.557 9.849) 22.098 1.246 ( 21.893 10.250 3.926) 24.490 2.147 ( 25.912 18.765 11.015) 33.837 2.427 ( -6.196 -5.644 -5.394) 9.967 2.520 ( 8.565 -6.379 4.236) 11.489 2.693 ( 1.976 1.542 -0.201) 2.515 2.753 ( 7.259 -3.214 -2.450) 8.308 2.868 ( 1.346 2.127 1.879) 3.141 3.045 ( 4.825 1.581 -5.560) 7.529 3.084 ( 12.776 -2.875 -1.485) 13.179 3.185 ( 8.883 -0.915 -1.401) 9.039 3.323 ( 2.154 2.175 2.249) 3.799 3.396 ( 5.724 1.295 -3.470) 6.818 3.516 ( -1.329 -0.301 4.411) 4.616 3.704 ( -0.317 -4.083 -7.152) 8.241 3.840 ( -3.213 -0.927 -2.688) 4.290 3.988 ( 3.184 -0.721 -3.778) 4.994 4.005 ( -0.746 2.219 -0.651) 2.429 4.122 ( -0.598 -9.358 -5.297) 10.770 4.175 ( -3.151 7.626 3.729) 9.055 4.357 ( 1.037 -3.753 -2.038) 4.395 4.434 ( -2.411 -1.647 1.527) 3.295 4.511 ( -10.165 2.643 -1.886) 10.671 4.609 ( -4.107 -0.081 -0.211) 4.113 4.724 ( -5.447 0.579 2.104) 5.868 4.795 ( -1.117 -3.652 -1.798) 4.221 5.022 ( -2.440 1.785 -3.378) 4.533 5.127 ( -3.872 -9.375 -0.960) 10.188 5.160 ( -4.712 -5.946 -1.409) 7.717 5.445 ( 2.467 -1.522 5.808) 6.491 5.492 ( -1.095 0.844 2.928) 3.238 5.551 ( -6.816 -1.220 2.034) 7.217 5.714 ( -0.449 2.097 2.384) 3.207 5.885 ( -3.401 7.838 1.487) 8.672 5.948 ( -1.429 -0.269 2.195) 2.633 6.020 ( -0.609 3.573 -3.331) 4.922 6.157 ( 2.093 1.502 3.270) 4.163 6.246 ( -3.909 -0.398 5.460) 6.726 6.287 ( 4.499 0.373 0.346) 4.528 6.383 ( 5.448 -0.419 1.436) 5.649 6.510 ( 3.717 1.620 3.167) 5.145 6.548 ( 3.659 -0.680 -1.314) 3.946 6.643 ( -0.450 0.482 0.275) 0.714 6.788 ( -2.154 2.820 -0.281) 3.560 7.064 ( 0.306 4.012 0.012) 4.024 7.172 ( 4.070 7.111 -3.994) 9.115 7.212 ( -5.745 0.686 7.851) 9.753 7.839 ( -4.823 0.502 -0.695) 4.898 7.921 ( 6.672 -3.344 -3.757) 8.355 8.097 ( 4.818 0.330 -4.623) 6.685 8.272 ( -4.737 -0.223 -1.489) 4.971 8.315 ( -6.876 1.129 0.249) 6.972 8.369 ( 1.752 -0.026 2.296) 2.888 8.643 ( -0.994 -6.811 -1.115) 6.973 8.748 ( 0.001 -3.329 -1.999) 3.883 8.916 ( -9.678 -4.071 -4.135) 11.285 10.999 ( 3.586 1.120 2.305) 4.407 11.058 ( 2.566 3.198 0.382) 4.118 11.165 ( 4.144 4.331 1.428) 6.161 11.330 ( -0.249 -1.545 0.890) 1.801 11.356 ( -1.384 1.092 -0.311) 1.790 11.409 ( -3.400 1.826 -0.042) 3.859 11.528 ( -0.717 -2.736 -0.541) 2.879 11.590 ( -0.871 -0.148 1.530) 1.767 11.709 ( 0.037 1.619 -2.262) 2.782 11.769 ( 1.179 -1.508 0.473) 1.972 11.912 ( -2.472 1.868 -0.131) 3.101 12.014 ( 2.921 -0.242 1.126) 3.140 16.491 ( -1.608 0.524 -0.796) 1.870 16.528 ( -0.252 0.391 0.576) 0.741 16.601 ( -0.279 -0.497 -0.008) 0.570 16.615 ( 0.379 -0.008 0.608) 0.716 23.161 ( 6.382 -2.951 -2.738) 7.546 23.341 ( 6.056 -3.208 1.865) 7.102 23.616 ( 5.269 -0.301 -5.204) 7.412 23.913 ( 17.643 -22.793 -5.985) 29.438 24.459 ( -0.931 1.726 0.505) 2.025 24.702 ( -2.863 0.021 -0.944) 3.015 25.171 ( 6.237 7.272 -14.106) 17.052 25.234 ( 2.413 0.513 -3.686) 4.435 25.613 ( 3.102 6.919 0.736) 7.618 26.177 ( -13.778 -1.475 7.489) 15.751 26.492 ( -17.343 10.226 6.197) 21.065 26.830 ( -9.168 -1.560 11.095) 14.477 ======================= Grid point 14 (10/128) ======================= q-point: ( 0.30 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 16.194 -1.460 9.363) 18.763 1.669 ( 20.740 4.079 3.217) 21.381 2.236 ( -5.111 -3.404 -7.802) 9.929 2.430 ( 3.716 -0.040 1.059) 3.864 2.675 ( -1.099 -0.119 -4.587) 4.718 2.784 ( 8.111 -5.970 3.217) 10.572 2.842 ( 3.575 1.572 -0.282) 3.916 2.919 ( 0.857 2.233 3.048) 3.875 3.059 ( 3.141 6.581 -4.037) 8.335 3.212 ( 3.086 -4.463 -0.740) 5.476 3.325 ( -2.339 -5.749 3.616) 7.183 3.387 ( 5.378 2.262 -3.222) 6.665 3.467 ( 5.193 -3.662 -0.192) 6.357 3.576 ( 5.657 1.988 -3.974) 7.193 3.674 ( 9.846 -4.779 -0.150) 10.946 3.820 ( 0.764 -1.251 -0.974) 1.760 3.988 ( 0.144 -1.391 -2.904) 3.223 4.026 ( 2.511 -0.205 -2.798) 3.766 4.140 ( 1.997 5.262 4.950) 7.496 4.198 ( 1.723 1.691 1.269) 2.727 4.306 ( -5.418 5.049 1.487) 7.554 4.341 ( -4.315 -0.944 -0.036) 4.417 4.414 ( 0.566 -0.890 -2.496) 2.709 4.528 ( -2.606 2.903 -0.624) 3.951 4.668 ( 0.013 -0.117 -1.777) 1.781 4.821 ( 4.820 -0.752 -1.099) 5.000 4.966 ( -0.316 4.853 -2.479) 5.459 5.045 ( -5.578 -8.080 0.367) 9.825 5.101 ( -0.175 -6.027 0.685) 6.068 5.425 ( -5.889 0.311 2.374) 6.357 5.471 ( -1.313 -5.004 0.089) 5.174 5.605 ( 4.266 -0.172 5.284) 6.793 5.715 ( -1.957 5.273 2.382) 6.108 5.852 ( -2.249 7.855 1.553) 8.317 5.916 ( -2.934 1.545 -1.047) 3.477 5.955 ( -2.243 3.686 0.055) 4.315 6.199 ( -4.449 1.057 2.836) 5.380 6.235 ( -0.483 1.672 5.972) 6.220 6.365 ( 3.885 0.331 -1.318) 4.116 6.472 ( 3.159 -0.992 -1.833) 3.784 6.556 ( 1.686 1.978 -2.421) 3.552 6.631 ( 1.013 -3.828 5.298) 6.614 6.663 ( 3.889 -2.284 -2.732) 5.273 6.783 ( 2.013 -0.826 0.053) 2.177 6.980 ( -6.902 5.262 0.006) 8.680 7.170 ( -5.313 1.616 4.315) 7.032 7.199 ( 2.608 2.170 -4.232) 5.424 7.724 ( -5.755 3.179 -6.004) 8.904 7.803 ( -9.199 -4.683 -9.130) 13.780 8.143 ( -3.645 -1.481 1.759) 4.309 8.202 ( 4.312 0.003 3.577) 5.603 8.384 ( 4.706 -4.803 3.822) 7.734 8.434 ( 3.258 1.221 3.010) 4.600 8.621 ( -0.402 -4.585 0.035) 4.603 8.661 ( -6.439 -2.641 -2.557) 7.414 8.784 ( -0.971 -2.044 -1.607) 2.776 11.060 ( 1.141 1.250 2.130) 2.721 11.125 ( 3.476 1.685 0.942) 3.976 11.244 ( 2.958 3.068 1.071) 4.394 11.334 ( 0.224 0.668 -0.978) 1.206 11.343 ( -0.512 1.247 1.606) 2.097 11.362 ( -2.049 0.793 1.506) 2.664 11.515 ( -0.049 -1.049 -0.557) 1.189 11.580 ( -1.469 1.515 0.612) 2.197 11.683 ( -0.246 -0.214 -2.228) 2.252 11.795 ( 1.254 -0.076 0.115) 1.261 11.843 ( -4.093 2.047 -1.315) 4.762 12.077 ( 2.794 -0.962 0.545) 3.005 16.455 ( -1.486 0.756 -0.676) 1.799 16.533 ( -0.043 0.448 0.745) 0.870 16.595 ( -0.306 -1.043 -0.143) 1.096 16.625 ( 0.131 0.077 0.357) 0.388 23.249 ( 6.367 -4.271 -3.055) 8.253 23.430 ( 2.903 -5.969 -1.013) 6.714 23.685 ( 6.630 3.684 -2.596) 8.017 24.071 ( 8.695 -15.863 -9.079) 20.240 24.455 ( -0.472 0.597 1.958) 2.101 24.662 ( -0.779 -2.512 0.475) 2.673 25.119 ( 3.563 6.342 -11.377) 13.504 25.288 ( 2.282 -4.079 -0.228) 4.680 25.672 ( 1.320 9.750 1.927) 10.026 25.993 ( -8.014 -1.414 -1.994) 8.379 26.290 ( -14.218 10.199 10.098) 20.202 26.789 ( -7.149 -3.191 10.771) 13.316 ======================= Grid point 15 (11/128) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 7.671 -2.280 4.592) 9.226 2.036 ( 16.694 0.361 1.908) 16.806 2.141 ( 1.533 -3.489 -4.762) 6.099 2.467 ( 0.087 -1.375 0.905) 1.648 2.570 ( -3.442 -2.325 -5.117) 6.591 2.766 ( -7.597 -6.769 -1.267) 10.254 2.864 ( -0.067 -6.605 2.430) 7.038 2.961 ( -0.919 -0.320 1.317) 1.637 3.073 ( 1.086 3.012 -2.601) 4.126 3.255 ( -1.118 -3.530 1.536) 4.009 3.268 ( 5.160 -4.217 -4.034) 7.789 3.419 ( -0.773 -1.712 1.058) 2.156 3.540 ( 4.101 -2.551 -0.290) 4.838 3.665 ( 5.874 3.203 -1.292) 6.814 3.748 ( -1.635 4.393 -3.272) 5.717 3.890 ( -8.358 -2.861 -0.004) 8.834 3.985 ( 7.555 -1.573 0.502) 7.734 4.016 ( -2.704 6.141 1.329) 6.840 4.127 ( -0.183 1.166 0.696) 1.370 4.201 ( 3.160 2.385 -3.391) 5.213 4.337 ( -1.977 1.790 2.127) 3.411 4.362 ( 3.235 -3.541 0.772) 4.858 4.472 ( 8.331 8.611 3.299) 12.428 4.564 ( 7.290 2.852 1.761) 8.023 4.671 ( 0.234 -1.012 -0.602) 1.201 4.874 ( 1.351 -1.688 -4.144) 4.674 4.958 ( 0.890 3.600 -2.572) 4.513 4.971 ( -2.452 -5.024 2.908) 6.302 5.155 ( 2.980 4.147 2.321) 5.609 5.375 ( -1.174 -5.607 2.483) 6.243 5.459 ( 0.122 -5.389 -1.361) 5.560 5.673 ( -3.984 3.246 2.625) 5.771 5.708 ( 2.086 3.848 -0.427) 4.398 5.833 ( 1.040 5.134 0.013) 5.238 5.887 ( -0.551 8.704 0.813) 8.759 5.941 ( -0.517 0.528 2.762) 2.859 6.138 ( -4.196 3.027 1.488) 5.383 6.273 ( -0.456 0.219 3.670) 3.704 6.386 ( 0.226 -0.605 -2.327) 2.415 6.453 ( -0.559 0.154 -3.783) 3.827 6.497 ( -6.711 0.801 -1.970) 7.040 6.657 ( 1.079 -0.508 2.013) 2.340 6.727 ( 2.814 -1.997 -0.821) 3.547 6.848 ( 4.879 -3.978 0.423) 6.309 6.925 ( 0.106 0.019 2.461) 2.463 7.100 ( -4.618 1.592 1.348) 5.067 7.194 ( 0.697 -0.189 -2.709) 2.803 7.421 ( -13.676 -2.641 -10.258) 17.298 7.672 ( -3.661 2.042 0.011) 4.192 8.112 ( -1.028 -3.190 -0.048) 3.352 8.285 ( 2.968 -1.468 0.547) 3.356 8.416 ( -2.460 -2.151 0.720) 3.346 8.517 ( 0.852 -5.763 2.674) 6.410 8.577 ( -1.470 1.666 0.062) 2.222 8.684 ( 3.664 0.082 3.599) 5.137 8.783 ( 2.189 -3.501 -0.988) 4.246 11.091 ( 0.539 0.919 1.056) 1.500 11.178 ( 1.194 0.357 1.012) 1.605 11.286 ( 0.593 2.132 1.357) 2.596 11.330 ( 0.428 0.809 -0.606) 1.098 11.343 ( -0.661 0.285 -0.011) 0.720 11.381 ( 1.812 2.281 2.209) 3.656 11.503 ( -1.269 0.318 -0.900) 1.588 11.557 ( -0.635 3.356 -0.402) 3.439 11.666 ( -0.031 -1.642 -0.569) 1.738 11.756 ( -3.042 1.536 -2.091) 3.998 11.815 ( 0.704 1.617 0.107) 1.767 12.119 ( 1.476 -1.356 0.196) 2.014 16.428 ( -0.870 0.971 -0.371) 1.356 16.540 ( 0.093 0.625 0.599) 0.871 16.588 ( -0.255 -1.564 -0.219) 1.600 16.628 ( -0.013 0.097 0.117) 0.152 23.328 ( 4.993 -5.674 -1.833) 7.777 23.434 ( -0.213 -6.715 -2.260) 7.088 23.786 ( 4.854 5.783 0.993) 7.615 24.073 ( 1.788 -8.243 -7.906) 11.561 24.484 ( 1.011 -3.346 2.056) 4.056 24.684 ( 1.547 -9.202 1.744) 9.493 25.088 ( 1.342 3.860 -3.742) 5.541 25.250 ( -3.063 -2.934 -5.734) 7.132 25.714 ( 1.969 11.291 2.360) 11.702 25.901 ( -1.193 1.731 -1.095) 2.370 26.159 ( -9.346 9.500 6.193) 14.695 26.781 ( -3.485 -4.040 6.830) 8.667 ======================= Grid point 16 (12/128) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 0.000 -1.548 0.000) 1.548 2.134 ( 0.000 -2.460 -0.000) 2.460 2.262 ( 0.000 -4.357 -0.000) 4.357 2.393 ( -0.000 3.951 -0.000) 3.951 2.584 ( 0.000 -1.563 0.000) 1.563 2.639 ( -0.000 -12.705 0.000) 12.705 2.889 ( -0.000 -7.458 0.000) 7.458 2.911 ( 0.000 -5.809 -0.000) 5.809 3.075 ( 0.000 1.261 -0.000) 1.261 3.277 ( 0.000 -2.987 0.000) 2.987 3.305 ( -0.000 1.169 -0.000) 1.169 3.416 ( 0.000 -3.620 0.000) 3.620 3.583 ( 0.000 -0.422 -0.000) 0.422 3.701 ( -0.000 0.785 0.000) 0.785 3.723 ( -0.000 5.459 -0.000) 5.459 3.797 ( 0.000 -0.204 -0.000) 0.204 3.968 ( 0.000 -1.375 -0.000) 1.375 3.979 ( 0.000 4.389 0.000) 4.389 4.214 ( -0.000 5.630 0.000) 5.630 4.226 ( 0.000 4.154 -0.000) 4.154 4.298 ( 0.000 -1.428 0.000) 1.428 4.393 ( 0.000 -1.431 0.000) 1.431 4.609 ( -0.000 7.967 0.000) 7.967 4.659 ( 0.000 -2.063 -0.000) 2.063 4.716 ( -0.000 -7.743 -0.000) 7.743 4.816 ( 0.000 4.565 0.000) 4.565 4.944 ( 0.000 3.937 -0.000) 3.937 4.973 ( 0.000 -2.644 -0.000) 2.644 5.197 ( 0.000 10.730 0.000) 10.730 5.402 ( 0.000 -9.048 -0.000) 9.048 5.446 ( 0.000 -5.169 0.000) 5.169 5.632 ( 0.000 3.624 0.000) 3.624 5.720 ( 0.000 1.042 -0.000) 1.042 5.867 ( 0.000 7.946 -0.000) 7.946 5.880 ( -0.000 7.003 0.000) 7.003 5.972 ( -0.000 1.587 0.000) 1.587 6.100 ( 0.000 4.495 0.000) 4.495 6.280 ( 0.000 -0.481 0.000) 0.481 6.344 ( 0.000 -0.232 0.000) 0.232 6.419 ( -0.000 1.702 0.000) 1.702 6.429 ( 0.000 -0.339 -0.000) 0.339 6.681 ( 0.000 -0.199 -0.000) 0.199 6.746 ( 0.000 -1.698 0.000) 1.698 6.913 ( 0.000 -3.324 0.000) 3.324 6.988 ( -0.000 -4.063 -0.000) 4.063 7.067 ( -0.000 -2.376 -0.000) 2.376 7.171 ( 0.000 -1.111 0.000) 1.111 7.186 ( -0.000 -0.233 0.000) 0.233 7.639 ( -0.000 3.291 0.000) 3.291 8.103 ( 0.000 -3.916 0.000) 3.916 8.320 ( 0.000 -0.655 0.000) 0.655 8.385 ( 0.000 -4.043 0.000) 4.043 8.532 ( 0.000 -4.162 -0.000) 4.162 8.572 ( 0.000 2.687 0.000) 2.687 8.729 ( 0.000 1.149 0.000) 1.149 8.818 ( 0.000 -5.261 -0.000) 5.261 11.100 ( 0.000 0.586 0.000) 0.586 11.192 ( 0.000 -0.081 0.000) 0.081 11.299 ( 0.000 2.565 0.000) 2.565 11.331 ( 0.000 0.183 -0.000) 0.183 11.335 ( -0.000 0.397 0.000) 0.397 11.433 ( -0.000 3.941 0.000) 3.941 11.461 ( 0.000 -0.781 0.000) 0.781 11.552 ( 0.000 4.348 0.000) 4.348 11.666 ( 0.000 -1.625 0.000) 1.625 11.714 ( 0.000 0.414 -0.000) 0.414 11.822 ( 0.000 2.514 0.000) 2.514 12.134 ( 0.000 -1.544 0.000) 1.544 16.418 ( -0.000 1.063 0.000) 1.063 16.544 ( 0.000 0.801 0.000) 0.801 16.584 ( 0.000 -1.863 0.000) 1.863 16.628 ( 0.000 0.089 0.000) 0.089 23.389 ( 0.000 -9.529 0.000) 9.529 23.394 ( -0.000 -3.340 -0.000) 3.340 23.846 ( 0.000 7.029 0.000) 7.029 24.036 ( 0.000 -6.256 0.000) 6.256 24.507 ( 0.000 -5.031 -0.000) 5.031 24.717 ( 0.000 -14.050 0.000) 14.050 25.096 ( 0.000 1.446 -0.000) 1.446 25.157 ( 0.000 2.792 0.000) 2.792 25.759 ( 0.000 9.696 0.000) 9.696 25.888 ( 0.000 3.399 0.000) 3.399 26.096 ( 0.000 9.657 0.000) 9.657 26.785 ( 0.000 -4.329 0.000) 4.329 ======================= Grid point 22 (13/128) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 0.000 23.352 0.000) 23.352 1.215 ( 0.000 27.481 0.000) 27.481 1.753 ( 0.000 9.265 0.000) 9.265 2.187 ( 0.000 19.568 0.000) 19.568 2.228 ( 0.000 -19.191 0.000) 19.191 2.580 ( 0.000 1.457 0.000) 1.457 2.669 ( 0.000 -2.307 0.000) 2.307 2.698 ( 0.000 2.304 0.000) 2.304 2.889 ( 0.000 -2.088 0.000) 2.088 3.094 ( 0.000 9.756 0.000) 9.756 3.146 ( 0.000 4.922 0.000) 4.922 3.357 ( 0.000 3.869 0.000) 3.869 3.465 ( 0.000 -3.558 0.000) 3.558 3.520 ( 0.000 -7.603 0.000) 7.603 3.734 ( 0.000 -0.347 0.000) 0.347 3.900 ( 0.000 -23.298 0.000) 23.298 3.926 ( 0.000 -3.555 0.000) 3.555 3.941 ( 0.000 -1.415 0.000) 1.415 4.207 ( 0.000 0.371 0.000) 0.371 4.244 ( 0.000 1.719 0.000) 1.719 4.263 ( 0.000 0.724 0.000) 0.724 4.322 ( 0.000 -4.346 0.000) 4.346 4.643 ( 0.000 6.910 0.000) 6.910 4.704 ( 0.000 1.507 0.000) 1.507 4.840 ( 0.000 -0.468 0.000) 0.468 4.924 ( 0.000 -1.575 0.000) 1.575 5.027 ( 0.000 -6.582 0.000) 6.582 5.072 ( 0.000 -3.151 0.000) 3.151 5.240 ( 0.000 -4.068 0.000) 4.068 5.345 ( 0.000 -7.145 0.000) 7.145 5.380 ( 0.000 -1.489 0.000) 1.489 5.465 ( 0.000 -4.680 0.000) 4.680 5.705 ( 0.000 5.796 0.000) 5.796 5.869 ( 0.000 -2.749 0.000) 2.749 6.001 ( 0.000 2.342 0.000) 2.342 6.103 ( 0.000 4.333 0.000) 4.333 6.109 ( 0.000 -2.683 0.000) 2.683 6.168 ( 0.000 0.329 0.000) 0.329 6.324 ( 0.000 1.097 0.000) 1.097 6.329 ( 0.000 0.573 0.000) 0.573 6.505 ( 0.000 5.797 0.000) 5.797 6.602 ( 0.000 1.692 0.000) 1.692 6.747 ( 0.000 3.289 0.000) 3.289 6.891 ( 0.000 -0.473 0.000) 0.473 7.041 ( 0.000 5.027 0.000) 5.027 7.209 ( 0.000 -2.222 0.000) 2.222 7.365 ( 0.000 9.941 0.000) 9.941 7.826 ( 0.000 -9.659 0.000) 9.659 7.925 ( 0.000 6.501 0.000) 6.501 8.021 ( 0.000 -0.689 0.000) 0.689 8.122 ( 0.000 0.544 0.000) 0.544 8.269 ( 0.000 -2.928 0.000) 2.928 8.575 ( 0.000 0.077 0.000) 0.077 8.632 ( 0.000 -4.174 0.000) 4.174 8.986 ( 0.000 1.014 0.000) 1.014 9.098 ( 0.000 -2.789 0.000) 2.789 10.940 ( 0.000 4.209 0.000) 4.209 11.039 ( 0.000 2.732 0.000) 2.732 11.166 ( 0.000 5.350 0.000) 5.350 11.260 ( 0.000 -2.786 0.000) 2.786 11.409 ( 0.000 -1.536 0.000) 1.536 11.431 ( 0.000 -1.764 0.000) 1.764 11.519 ( 0.000 -1.767 0.000) 1.767 11.549 ( 0.000 -2.245 0.000) 2.245 11.664 ( 0.000 -1.705 0.000) 1.705 11.686 ( 0.000 -2.002 0.000) 2.002 11.987 ( 0.000 2.130 0.000) 2.130 12.013 ( 0.000 1.267 0.000) 1.267 16.528 ( 0.000 0.732 0.000) 0.732 16.572 ( 0.000 -1.105 0.000) 1.105 16.577 ( 0.000 1.117 0.000) 1.117 16.608 ( 0.000 -0.325 0.000) 0.325 22.910 ( 0.000 3.805 0.000) 3.805 23.084 ( 0.000 -3.775 0.000) 3.775 23.284 ( 0.000 4.423 0.000) 4.423 23.495 ( 0.000 -4.814 0.000) 4.814 24.553 ( 0.000 4.320 0.000) 4.320 24.723 ( 0.000 -3.064 0.000) 3.064 25.142 ( 0.000 2.072 0.000) 2.072 25.278 ( 0.000 -4.170 0.000) 4.170 25.834 ( 0.000 10.298 0.000) 10.298 26.278 ( 0.000 -9.483 0.000) 9.483 26.934 ( 0.000 3.571 0.000) 3.571 27.083 ( 0.000 -2.953 0.000) 2.953 ======================= Grid point 23 (14/128) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 7.503 24.094 0.433) 25.239 1.295 ( 7.982 22.342 1.472) 23.771 1.986 ( 18.881 -0.388 4.887) 19.507 2.216 ( 0.253 -9.425 -1.833) 9.605 2.347 ( 11.365 14.374 7.258) 19.709 2.622 ( 4.719 2.581 -1.376) 5.552 2.682 ( 1.973 1.357 0.092) 2.396 2.749 ( 7.575 -3.605 -2.258) 8.687 2.866 ( -1.081 -3.039 -1.261) 3.463 3.121 ( 4.603 9.318 -2.822) 10.770 3.169 ( 1.671 2.023 -1.045) 2.824 3.366 ( -0.686 1.490 -2.875) 3.310 3.435 ( 2.502 -0.092 -8.311) 8.680 3.470 ( -2.802 -5.132 1.924) 6.155 3.726 ( -0.123 -1.591 -1.459) 2.163 3.864 ( 0.272 -15.290 -3.087) 15.601 3.916 ( -0.389 -2.287 -0.954) 2.508 3.980 ( 0.076 -1.826 2.120) 2.799 4.148 ( -4.196 2.882 -6.029) 7.891 4.232 ( 3.108 -0.876 -0.264) 3.240 4.281 ( 0.388 0.210 0.037) 0.443 4.348 ( 0.310 -5.209 3.488) 6.277 4.601 ( -5.769 1.000 2.245) 6.271 4.712 ( -1.178 2.733 1.630) 3.393 4.808 ( -7.085 -4.134 -3.072) 8.759 4.823 ( -1.754 0.102 -1.616) 2.388 4.959 ( -5.689 -4.549 4.998) 8.834 5.088 ( -2.273 -4.430 -0.776) 5.039 5.204 ( -4.606 -1.353 -0.919) 4.888 5.327 ( 0.162 0.795 6.969) 7.016 5.419 ( -2.133 -6.885 1.327) 7.329 5.526 ( 3.276 -5.892 4.774) 8.261 5.742 ( 2.952 6.004 -0.291) 6.696 5.922 ( 6.196 -1.978 -1.804) 6.750 5.998 ( -0.833 3.461 0.092) 3.561 6.085 ( -1.303 2.694 0.431) 3.024 6.142 ( 1.213 -1.206 1.955) 2.597 6.196 ( 2.321 -0.962 2.451) 3.510 6.301 ( -4.583 2.634 4.695) 7.070 6.337 ( 1.838 1.487 -1.874) 3.017 6.499 ( 1.783 2.885 -2.549) 4.243 6.539 ( -3.289 2.361 0.547) 4.086 6.748 ( -2.454 2.829 0.042) 3.745 6.879 ( -2.891 -0.997 0.946) 3.201 7.087 ( 3.688 4.893 2.301) 6.545 7.216 ( -0.742 -1.265 2.517) 2.913 7.369 ( 1.939 11.603 -1.997) 11.933 7.814 ( 3.159 -4.925 -7.255) 9.320 7.956 ( -2.192 1.310 -0.367) 2.580 7.993 ( 2.352 -0.872 2.220) 3.349 8.169 ( 2.037 -2.174 0.576) 3.035 8.281 ( 1.678 -1.752 0.458) 2.469 8.572 ( -0.524 -1.490 -0.475) 1.649 8.632 ( 1.017 -3.304 -2.092) 4.040 8.786 ( -14.033 4.165 -6.698) 16.098 9.015 ( -7.518 -4.792 -3.351) 9.525 10.977 ( 3.689 4.334 0.098) 5.692 11.086 ( 3.824 2.918 -0.722) 4.864 11.193 ( 1.934 5.002 2.227) 5.807 11.270 ( 0.487 -2.192 1.234) 2.562 11.394 ( -1.554 -0.541 0.325) 1.677 11.454 ( 1.631 -2.453 -0.052) 2.946 11.487 ( -2.121 -1.042 -1.782) 2.959 11.544 ( -0.909 -2.815 2.057) 3.603 11.683 ( 1.623 -1.457 0.650) 2.276 11.718 ( 1.930 -2.038 1.314) 3.099 11.975 ( -1.347 2.301 0.569) 2.726 12.008 ( -1.111 0.993 1.024) 1.808 16.526 ( -0.402 0.652 0.023) 0.766 16.548 ( -1.112 0.169 -0.577) 1.264 16.594 ( 0.386 -0.116 0.786) 0.883 16.604 ( -0.314 -0.236 0.094) 0.404 23.011 ( 6.349 -0.029 2.121) 6.694 23.138 ( 4.138 -4.217 2.484) 6.409 23.382 ( 12.256 0.773 -2.436) 12.520 23.520 ( 4.785 -3.901 -3.524) 7.108 24.541 ( -1.312 4.051 0.058) 4.258 24.708 ( -1.735 -3.151 0.073) 3.598 25.164 ( 2.112 2.053 0.292) 2.960 25.287 ( 2.641 -3.150 -3.914) 5.676 25.805 ( 0.346 10.701 -5.185) 11.896 26.232 ( -4.741 -8.184 -0.384) 9.466 26.866 ( -9.618 3.278 3.696) 10.813 26.956 ( -13.418 0.205 4.407) 14.125 ======================= Grid point 24 (15/128) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 11.239 19.202 3.339) 22.499 1.508 ( 13.049 13.637 1.973) 18.978 2.190 ( -0.123 -10.290 -3.918) 11.012 2.324 ( 12.643 -14.182 -0.391) 19.003 2.534 ( 1.436 7.837 -2.582) 8.376 2.710 ( 1.885 3.195 0.948) 3.829 2.815 ( 10.048 9.609 3.993) 14.465 2.867 ( 5.000 -3.304 0.094) 5.994 2.937 ( 11.960 -4.499 0.690) 12.797 3.161 ( 7.524 3.693 -8.902) 12.227 3.211 ( 8.152 3.061 -5.326) 10.208 3.339 ( 2.246 -1.284 2.646) 3.700 3.388 ( -6.413 -4.825 0.336) 8.033 3.467 ( 3.336 4.038 -3.842) 6.496 3.677 ( -1.058 -1.900 -5.114) 5.558 3.888 ( 3.161 -7.473 -5.615) 9.867 3.900 ( 2.462 1.684 0.333) 3.002 3.992 ( 2.005 1.406 -2.352) 3.395 4.063 ( -0.314 2.975 0.658) 3.063 4.264 ( 1.258 -4.293 -1.693) 4.783 4.297 ( -1.773 -0.423 4.672) 5.015 4.396 ( 1.364 -1.625 3.972) 4.503 4.481 ( -8.133 -0.461 1.817) 8.346 4.657 ( -6.831 3.139 1.625) 7.691 4.710 ( -1.504 -2.859 -1.598) 3.604 4.776 ( -1.123 1.830 1.110) 2.417 4.917 ( -3.682 -7.237 2.671) 8.548 5.023 ( -5.278 -4.488 3.732) 7.869 5.090 ( -5.224 1.297 -2.165) 5.802 5.364 ( -3.602 -7.905 0.811) 8.725 5.447 ( 3.472 0.369 6.435) 7.321 5.570 ( -0.852 -1.103 -0.043) 1.394 5.783 ( 1.164 5.563 1.303) 5.831 5.945 ( -1.965 1.651 -0.384) 2.595 6.005 ( 0.306 1.188 -1.389) 1.853 6.072 ( -0.943 0.521 -1.055) 1.508 6.191 ( 3.238 1.476 3.307) 4.858 6.279 ( 2.642 -0.353 2.062) 3.370 6.285 ( -2.472 3.146 6.549) 7.675 6.384 ( 3.609 0.139 2.309) 4.286 6.528 ( 0.601 0.919 3.203) 3.386 6.546 ( 6.068 -0.360 -5.254) 8.035 6.672 ( -4.431 2.955 -0.920) 5.405 6.808 ( -4.495 -1.205 -0.389) 4.670 7.149 ( -0.876 3.765 2.205) 4.450 7.222 ( -2.925 0.185 4.621) 5.472 7.372 ( 1.312 10.969 -5.655) 12.411 7.791 ( 0.955 -6.057 -6.763) 9.129 7.911 ( -0.324 2.577 -2.949) 3.930 8.094 ( 6.108 -1.450 1.712) 6.507 8.177 ( -0.405 -4.313 -0.461) 4.357 8.296 ( -6.343 -3.341 -0.512) 7.187 8.444 ( -5.309 4.575 -2.916) 7.591 8.575 ( -2.200 1.566 -0.443) 2.737 8.653 ( 0.958 -5.053 -1.467) 5.348 8.814 ( -9.125 -5.665 -3.332) 11.246 11.049 ( 3.262 3.506 0.939) 4.880 11.134 ( 2.942 3.042 -1.656) 4.545 11.260 ( 2.208 2.547 2.099) 3.971 11.304 ( 1.207 0.965 2.609) 3.032 11.367 ( -1.490 0.185 0.426) 1.560 11.426 ( -2.971 -0.609 -0.465) 3.069 11.473 ( 1.111 -1.511 -0.517) 1.945 11.562 ( 0.777 -2.437 0.811) 2.684 11.728 ( 2.330 -0.728 0.959) 2.623 11.749 ( -0.280 0.019 0.900) 0.943 11.953 ( -2.028 1.902 0.147) 2.784 12.004 ( 0.216 -0.660 1.288) 1.463 16.506 ( -1.309 0.873 -0.636) 1.697 16.534 ( -0.366 -0.030 0.237) 0.437 16.594 ( -0.573 -0.050 0.126) 0.589 16.611 ( 0.208 -0.409 0.747) 0.877 23.112 ( 4.437 -0.953 -0.617) 4.580 23.241 ( 3.757 -5.678 2.032) 7.106 23.600 ( 8.468 -1.265 -3.648) 9.307 23.623 ( 15.066 -6.157 -4.024) 16.766 24.511 ( -1.752 3.149 -0.129) 3.606 24.661 ( -3.418 -3.232 -0.130) 4.706 25.215 ( 3.324 1.323 -0.646) 3.635 25.272 ( 2.478 0.302 -9.646) 9.964 25.788 ( 2.059 9.030 -0.988) 9.314 26.112 ( -6.452 -5.030 -2.363) 8.515 26.669 ( -16.048 6.050 7.354) 18.661 26.796 ( -11.582 -1.644 8.992) 14.755 ======================= Grid point 25 (16/128) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 11.478 11.087 4.887) 16.690 1.772 ( 13.674 5.934 1.344) 14.967 2.136 ( -0.200 -6.491 -5.720) 8.654 2.444 ( 5.176 -18.663 -8.617) 21.198 2.460 ( -1.266 3.932 -4.086) 5.810 2.723 ( -0.068 -1.711 0.230) 1.727 2.883 ( -4.249 2.684 -0.429) 5.044 2.931 ( 0.073 -2.896 0.201) 2.904 3.059 ( 4.589 -2.908 -5.774) 7.928 3.176 ( -6.505 -3.302 0.852) 7.345 3.305 ( 6.337 -6.615 -3.964) 9.981 3.341 ( 6.018 5.648 -0.878) 8.299 3.461 ( -0.402 3.139 -1.157) 3.370 3.641 ( 20.352 5.341 6.083) 21.903 3.674 ( 5.347 2.586 -2.419) 6.413 3.869 ( 0.754 3.281 -1.665) 3.756 3.917 ( -0.816 -2.588 -4.421) 5.187 4.034 ( 4.423 -0.554 -1.416) 4.677 4.138 ( 3.961 0.499 1.837) 4.395 4.235 ( -3.049 0.347 2.223) 3.789 4.300 ( -1.980 -5.171 -0.253) 5.543 4.376 ( -2.956 -0.863 1.707) 3.521 4.509 ( 2.550 9.513 7.995) 12.685 4.583 ( -1.653 4.045 4.461) 6.244 4.686 ( 0.091 0.492 -1.562) 1.640 4.815 ( 3.757 1.069 -0.873) 4.003 4.869 ( -3.922 -8.182 2.211) 9.339 4.997 ( -0.220 -1.774 0.481) 1.851 5.027 ( 0.541 -0.722 2.713) 2.859 5.297 ( -3.417 -9.725 -0.282) 10.312 5.520 ( -1.364 6.133 -1.746) 6.521 5.589 ( 4.128 -0.280 5.438) 6.833 5.815 ( 0.200 2.969 3.150) 4.333 5.913 ( -1.557 0.975 0.064) 1.838 5.962 ( -1.864 2.511 -2.501) 4.005 6.031 ( -1.502 -0.054 -0.608) 1.622 6.254 ( -0.653 3.588 0.858) 3.747 6.303 ( -1.827 4.709 7.572) 9.102 6.351 ( 1.994 -1.637 0.156) 2.585 6.469 ( 3.685 -0.376 -1.014) 3.841 6.564 ( -0.200 0.139 2.861) 2.871 6.603 ( -0.416 1.213 -1.389) 1.891 6.615 ( 4.110 -1.818 -3.369) 5.616 6.741 ( -1.855 -3.122 0.513) 3.668 7.090 ( -7.169 4.746 1.464) 8.722 7.192 ( -4.449 0.162 3.169) 5.464 7.291 ( -2.462 6.646 -7.588) 10.383 7.664 ( -8.426 -8.437 -10.923) 16.171 7.822 ( -4.389 5.942 -3.624) 8.228 8.093 ( -6.889 -4.119 0.908) 8.077 8.199 ( 2.371 -0.293 -0.306) 2.409 8.256 ( 6.673 -5.064 4.084) 9.320 8.465 ( -0.233 1.472 1.007) 1.799 8.539 ( 1.003 -2.811 0.123) 2.987 8.628 ( -2.196 -0.800 -0.218) 2.348 8.711 ( 0.110 -4.172 -0.943) 4.279 11.102 ( 1.182 2.566 1.484) 3.192 11.166 ( 2.360 1.372 -1.520) 3.124 11.304 ( 0.101 1.675 3.070) 3.499 11.344 ( 0.732 1.746 0.903) 2.097 11.361 ( 0.268 0.430 0.359) 0.621 11.383 ( -1.150 0.249 0.301) 1.214 11.494 ( 1.322 -0.476 0.018) 1.405 11.578 ( 0.551 -1.790 0.025) 1.873 11.719 ( -1.969 3.012 -0.924) 3.715 11.788 ( 2.091 -0.548 1.640) 2.714 11.898 ( -3.250 3.125 -0.835) 4.585 12.039 ( 1.887 -2.702 0.791) 3.389 16.477 ( -1.161 1.314 -0.551) 1.838 16.533 ( -0.064 -0.727 0.309) 0.793 16.583 ( -0.657 0.283 0.087) 0.720 16.619 ( -0.029 -0.637 0.498) 0.809 23.173 ( 3.858 -1.992 -1.788) 4.696 23.297 ( 1.723 -6.482 -0.407) 6.719 23.724 ( 7.878 0.244 -1.607) 8.044 23.815 ( 10.391 -7.587 -4.584) 13.658 24.480 ( -1.314 1.635 -0.392) 2.134 24.590 ( -4.009 -3.620 -0.336) 5.412 25.197 ( 0.200 1.908 -8.703) 8.912 25.248 ( 2.082 -0.677 -4.578) 5.075 25.853 ( 3.298 7.233 2.703) 8.397 25.991 ( -3.211 0.183 -2.202) 3.898 26.480 ( -13.369 7.474 8.448) 17.492 26.704 ( -8.748 -4.567 9.687) 13.829 ======================= Grid point 26 (17/128) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 7.269 5.717 3.767) 9.986 1.999 ( 10.893 -1.173 -0.924) 10.994 2.100 ( 1.904 -2.265 -4.011) 4.984 2.361 ( -0.436 -10.398 -4.496) 11.336 2.484 ( 1.749 -5.736 -4.324) 7.393 2.662 ( -5.391 -4.865 -2.276) 7.610 2.783 ( -5.430 0.433 3.593) 6.525 2.827 ( -8.069 -5.925 -2.291) 10.269 3.048 ( 2.254 0.627 -3.514) 4.222 3.172 ( 4.319 -5.299 -2.197) 7.181 3.340 ( 1.527 2.106 0.949) 2.770 3.430 ( -2.421 -0.421 3.264) 4.086 3.509 ( 9.964 5.135 -3.602) 11.774 3.734 ( 2.865 1.170 -1.216) 3.325 3.781 ( -8.217 -3.927 -2.309) 9.396 3.845 ( 1.835 3.451 -0.152) 3.912 3.979 ( 4.408 0.562 -0.334) 4.456 4.086 ( -0.626 -1.465 0.135) 1.599 4.164 ( 2.443 3.192 1.596) 4.325 4.237 ( -1.414 -2.649 1.487) 3.351 4.329 ( 7.365 3.704 2.133) 8.515 4.360 ( -1.106 1.181 -0.444) 1.678 4.592 ( -1.495 -0.239 3.431) 3.750 4.629 ( -3.336 -1.864 -1.241) 4.018 4.696 ( 4.489 8.916 8.384) 13.036 4.858 ( 4.892 1.969 -1.851) 5.589 4.932 ( 6.231 1.059 0.594) 6.348 4.988 ( -1.136 0.544 1.430) 1.906 5.148 ( 5.527 -5.568 3.006) 8.402 5.253 ( -0.804 -8.485 -0.232) 8.526 5.503 ( 3.129 11.380 -3.112) 12.206 5.697 ( 0.725 1.387 5.719) 5.929 5.846 ( -3.325 2.122 -2.162) 4.498 5.876 ( 1.237 3.905 4.206) 5.871 5.955 ( 4.700 -1.195 -3.146) 5.781 6.016 ( -0.260 2.001 1.342) 2.423 6.235 ( -1.225 5.538 -0.049) 5.673 6.302 ( -4.250 3.239 4.549) 7.017 6.351 ( -1.433 -2.384 -0.642) 2.855 6.475 ( -1.215 0.874 -2.048) 2.537 6.523 ( -3.090 1.887 -3.713) 5.186 6.617 ( 2.720 -2.379 0.829) 3.707 6.667 ( 2.218 -3.018 0.320) 3.759 6.762 ( 2.073 -4.434 1.574) 5.142 6.957 ( -6.052 3.455 -1.219) 7.075 7.116 ( -6.670 -0.650 0.991) 6.774 7.196 ( -1.157 0.581 -3.002) 3.270 7.329 ( -13.480 -5.545 -8.936) 17.097 7.754 ( -1.604 5.589 -0.701) 5.857 8.017 ( -2.258 -5.696 -0.575) 6.154 8.257 ( 3.565 -0.555 -0.012) 3.608 8.361 ( -0.442 -3.967 1.590) 4.297 8.437 ( 0.281 -0.427 0.979) 1.104 8.573 ( -0.341 -3.505 0.355) 3.539 8.663 ( 4.036 0.076 2.676) 4.844 8.725 ( 1.359 -1.952 -0.434) 2.418 11.123 ( 0.229 2.071 0.654) 2.184 11.186 ( 0.859 -0.025 -0.413) 0.954 11.329 ( -0.398 1.552 2.793) 3.220 11.350 ( 0.079 1.292 -0.258) 1.319 11.362 ( -0.001 1.525 0.209) 1.539 11.406 ( 2.112 -0.037 0.603) 2.196 11.505 ( -0.486 0.038 -0.101) 0.498 11.584 ( 0.194 -2.021 -0.213) 2.041 11.682 ( -0.572 4.000 -0.686) 4.099 11.793 ( -2.748 0.434 -0.616) 2.849 11.869 ( 1.166 4.487 0.239) 4.643 12.072 ( 1.029 -3.312 0.252) 3.478 16.456 ( -0.640 1.689 -0.294) 1.830 16.537 ( 0.136 -1.607 0.215) 1.627 16.573 ( -0.527 0.815 0.015) 0.971 16.620 ( -0.118 -0.772 0.205) 0.807 23.217 ( 2.683 -3.483 -1.393) 4.612 23.305 ( 0.275 -5.918 -1.018) 6.011 23.836 ( 4.347 -0.812 1.547) 4.685 23.907 ( 5.078 -5.606 -4.958) 9.044 24.459 ( -0.672 0.078 -0.156) 0.694 24.523 ( -2.706 -5.014 -0.323) 5.707 25.130 ( -0.279 1.151 -4.157) 4.322 25.203 ( -0.832 -2.084 -5.353) 5.804 25.926 ( 1.927 7.936 2.086) 8.429 25.975 ( 1.800 4.110 -0.349) 4.500 26.351 ( -8.435 8.476 5.437) 13.136 26.665 ( -4.442 -6.709 6.333) 10.239 ======================= Grid point 27 (18/128) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 0.000 4.544 0.000) 4.544 2.099 ( -0.000 -1.147 0.000) 1.147 2.127 ( 0.000 -5.662 -0.000) 5.662 2.328 ( -0.000 -10.972 0.000) 10.972 2.456 ( -0.000 -5.085 0.000) 5.085 2.594 ( 0.000 -3.937 -0.000) 3.937 2.737 ( -0.000 -2.070 0.000) 2.070 2.745 ( 0.000 -4.017 -0.000) 4.017 3.056 ( 0.000 0.481 0.000) 0.481 3.209 ( 0.000 -5.043 0.000) 5.043 3.376 ( 0.000 1.189 0.000) 1.189 3.417 ( 0.000 2.809 -0.000) 2.809 3.608 ( 0.000 3.254 -0.000) 3.254 3.653 ( -0.000 -3.784 0.000) 3.784 3.754 ( 0.000 -0.883 0.000) 0.883 3.866 ( 0.000 6.180 -0.000) 6.180 3.965 ( 0.000 0.777 -0.000) 0.777 4.065 ( 0.000 2.608 0.000) 2.608 4.242 ( -0.000 -3.115 -0.000) 3.115 4.264 ( 0.000 -2.184 0.000) 2.184 4.308 ( 0.000 1.126 -0.000) 1.126 4.422 ( 0.000 6.486 -0.000) 6.486 4.559 ( 0.000 -7.055 0.000) 7.055 4.595 ( -0.000 -2.973 0.000) 2.973 4.812 ( 0.000 10.251 -0.000) 10.251 4.930 ( 0.000 5.775 0.000) 5.775 4.965 ( 0.000 1.568 -0.000) 1.568 4.990 ( 0.000 1.493 0.000) 1.493 5.213 ( 0.000 -8.766 -0.000) 8.766 5.256 ( 0.000 -7.487 0.000) 7.487 5.542 ( 0.000 14.505 0.000) 14.505 5.745 ( -0.000 6.250 -0.000) 6.250 5.763 ( 0.000 3.692 0.000) 3.692 5.913 ( -0.000 -2.416 0.000) 2.416 6.008 ( 0.000 4.249 -0.000) 4.249 6.051 ( -0.000 3.254 0.000) 3.254 6.221 ( 0.000 5.876 -0.000) 5.876 6.266 ( 0.000 0.344 0.000) 0.344 6.321 ( 0.000 -2.097 -0.000) 2.097 6.427 ( 0.000 -0.661 0.000) 0.661 6.477 ( 0.000 3.720 0.000) 3.720 6.650 ( 0.000 -2.766 -0.000) 2.766 6.693 ( 0.000 -2.955 -0.000) 2.955 6.817 ( -0.000 -5.631 0.000) 5.631 6.906 ( 0.000 -2.169 -0.000) 2.169 6.991 ( 0.000 -4.310 -0.000) 4.310 7.157 ( 0.000 -0.093 -0.000) 0.093 7.179 ( -0.000 -0.556 0.000) 0.556 7.737 ( 0.000 5.823 0.000) 5.823 7.995 ( 0.000 -5.955 -0.000) 5.955 8.311 ( 0.000 -0.033 -0.000) 0.033 8.326 ( -0.000 -1.618 0.000) 1.618 8.459 ( 0.000 -2.103 -0.000) 2.103 8.570 ( 0.000 -3.688 0.000) 3.688 8.723 ( 0.000 -2.007 -0.000) 2.007 8.736 ( 0.000 -0.380 0.000) 0.380 11.128 ( 0.000 1.909 -0.000) 1.909 11.191 ( 0.000 -0.341 0.000) 0.341 11.341 ( 0.000 0.816 -0.000) 0.816 11.350 ( -0.000 1.619 0.000) 1.619 11.364 ( 0.000 2.269 -0.000) 2.269 11.441 ( -0.000 -1.284 -0.000) 1.284 11.485 ( 0.000 1.310 0.000) 1.310 11.583 ( 0.000 -2.426 0.000) 2.426 11.684 ( 0.000 4.026 0.000) 4.026 11.750 ( 0.000 2.055 0.000) 2.055 11.887 ( 0.000 4.023 0.000) 4.023 12.082 ( 0.000 -3.483 0.000) 3.483 16.449 ( -0.000 1.838 0.000) 1.838 16.540 ( 0.000 -2.265 0.000) 2.265 16.567 ( 0.000 1.330 0.000) 1.330 16.620 ( 0.000 -0.816 0.000) 0.816 23.236 ( 0.000 -4.469 0.000) 4.469 23.300 ( -0.000 -5.178 0.000) 5.178 23.896 ( 0.000 -5.045 -0.000) 5.045 23.914 ( 0.000 -0.794 0.000) 0.794 24.453 ( 0.000 -0.777 0.000) 0.777 24.496 ( 0.000 -5.937 -0.000) 5.937 25.109 ( 0.000 0.313 -0.000) 0.313 25.160 ( 0.000 -1.527 0.000) 1.527 25.959 ( 0.000 7.939 0.000) 7.939 25.996 ( 0.000 5.324 -0.000) 5.324 26.297 ( -0.000 9.210 0.000) 9.210 26.658 ( 0.000 -7.555 0.000) 7.555 ======================= Grid point 33 (19/128) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 0.000 -18.508 0.000) 18.508 1.526 ( 0.000 18.508 0.000) 18.508 1.759 ( 0.000 -24.477 0.000) 24.477 1.759 ( 0.000 24.477 0.000) 24.477 2.624 ( 0.000 -2.273 0.000) 2.273 2.624 ( 0.000 2.273 0.000) 2.273 2.784 ( 0.000 -3.363 0.000) 3.363 2.784 ( 0.000 3.363 0.000) 3.363 2.906 ( 0.000 -29.273 0.000) 29.273 2.906 ( 0.000 29.273 0.000) 29.273 3.320 ( 0.000 -10.724 0.000) 10.724 3.320 ( 0.000 10.724 0.000) 10.724 3.408 ( 0.000 -1.262 0.000) 1.262 3.408 ( 0.000 1.262 0.000) 1.262 3.632 ( 0.000 -3.417 0.000) 3.417 3.632 ( 0.000 3.417 0.000) 3.417 3.932 ( 0.000 -0.955 0.000) 0.955 3.932 ( 0.000 0.955 0.000) 0.955 4.245 ( 0.000 -2.489 0.000) 2.489 4.245 ( 0.000 2.489 0.000) 2.489 4.270 ( 0.000 -1.016 0.000) 1.016 4.270 ( 0.000 1.016 0.000) 1.016 4.740 ( 0.000 -0.664 0.000) 0.664 4.740 ( 0.000 0.664 0.000) 0.664 4.847 ( 0.000 -3.915 0.000) 3.915 4.847 ( 0.000 3.915 0.000) 3.915 5.009 ( 0.000 -3.607 0.000) 3.607 5.009 ( 0.000 3.607 0.000) 3.607 5.219 ( 0.000 -3.754 0.000) 3.754 5.219 ( 0.000 3.754 0.000) 3.754 5.390 ( 0.000 -2.291 0.000) 2.291 5.390 ( 0.000 2.291 0.000) 2.291 5.806 ( 0.000 -3.756 0.000) 3.756 5.806 ( 0.000 3.756 0.000) 3.756 6.049 ( 0.000 -2.564 0.000) 2.564 6.049 ( 0.000 2.564 0.000) 2.564 6.162 ( 0.000 -1.304 0.000) 1.304 6.162 ( 0.000 1.304 0.000) 1.304 6.338 ( 0.000 -0.108 0.000) 0.108 6.338 ( 0.000 0.108 0.000) 0.108 6.603 ( 0.000 -2.357 0.000) 2.357 6.603 ( 0.000 2.357 0.000) 2.357 6.822 ( 0.000 -4.265 0.000) 4.265 6.822 ( 0.000 4.265 0.000) 4.265 7.141 ( 0.000 -4.238 0.000) 4.238 7.141 ( 0.000 4.238 0.000) 4.238 7.600 ( 0.000 -11.528 0.000) 11.528 7.600 ( 0.000 11.528 0.000) 11.528 8.009 ( 0.000 -1.252 0.000) 1.252 8.009 ( 0.000 1.252 0.000) 1.252 8.184 ( 0.000 -4.870 0.000) 4.870 8.184 ( 0.000 4.870 0.000) 4.870 8.575 ( 0.000 -0.974 0.000) 0.974 8.575 ( 0.000 0.974 0.000) 0.974 9.033 ( 0.000 -3.107 0.000) 3.107 9.033 ( 0.000 3.107 0.000) 3.107 11.030 ( 0.000 -3.569 0.000) 3.569 11.030 ( 0.000 3.569 0.000) 3.569 11.236 ( 0.000 -0.684 0.000) 0.684 11.236 ( 0.000 0.684 0.000) 0.684 11.388 ( 0.000 -1.072 0.000) 1.072 11.388 ( 0.000 1.072 0.000) 1.072 11.514 ( 0.000 -0.931 0.000) 0.931 11.514 ( 0.000 0.931 0.000) 0.931 11.655 ( 0.000 -0.730 0.000) 0.730 11.655 ( 0.000 0.730 0.000) 0.730 12.018 ( 0.000 -0.706 0.000) 0.706 12.018 ( 0.000 0.706 0.000) 0.706 16.548 ( 0.000 -1.127 0.000) 1.127 16.548 ( 0.000 1.127 0.000) 1.127 16.597 ( 0.000 -0.747 0.000) 0.747 16.597 ( 0.000 0.747 0.000) 0.747 22.998 ( 0.000 -4.366 0.000) 4.366 22.998 ( 0.000 4.366 0.000) 4.366 23.387 ( 0.000 -5.270 0.000) 5.270 23.387 ( 0.000 5.270 0.000) 5.270 24.645 ( 0.000 -4.286 0.000) 4.286 24.645 ( 0.000 4.286 0.000) 4.286 25.199 ( 0.000 -3.337 0.000) 3.337 25.199 ( 0.000 3.337 0.000) 3.337 26.059 ( 0.000 -11.029 0.000) 11.029 26.059 ( 0.000 11.029 0.000) 11.029 27.012 ( 0.000 -3.714 0.000) 3.714 27.012 ( 0.000 3.714 0.000) 3.714 ======================= Grid point 35 (20/128) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 3.730 -9.590 2.301) 10.544 1.573 ( 3.730 9.590 2.301) 10.544 1.879 ( 11.294 -11.251 -0.933) 15.969 1.879 ( 11.294 11.251 -0.933) 15.969 2.667 ( 5.520 -3.777 -1.622) 6.882 2.667 ( 5.520 3.777 -1.622) 6.882 2.758 ( -1.518 -4.921 -1.456) 5.352 2.758 ( -1.518 4.921 -1.456) 5.352 2.967 ( 5.501 -24.043 3.318) 24.886 2.967 ( 5.501 24.043 3.318) 24.886 3.299 ( 0.922 -6.066 -7.762) 9.894 3.299 ( 0.922 6.066 -7.762) 9.894 3.428 ( 3.236 -3.645 -0.549) 4.905 3.428 ( 3.236 3.645 -0.549) 4.905 3.638 ( 1.505 -3.188 -2.044) 4.075 3.638 ( 1.505 3.188 -2.044) 4.075 3.956 ( 0.873 -1.710 2.990) 3.554 3.956 ( 0.873 1.710 2.990) 3.554 4.207 ( 0.235 -1.719 -6.560) 6.786 4.207 ( 0.235 1.719 -6.560) 6.786 4.285 ( -1.417 -0.810 4.919) 5.183 4.285 ( -1.417 0.810 4.919) 5.183 4.667 ( -6.766 -5.088 -1.002) 8.525 4.667 ( -6.766 5.088 -1.002) 8.525 4.794 ( -2.827 -2.385 1.050) 3.845 4.794 ( -2.827 2.385 1.050) 3.845 4.980 ( -4.767 -4.855 1.620) 6.994 4.980 ( -4.767 4.855 1.620) 6.994 5.260 ( -1.426 -5.737 2.779) 6.532 5.260 ( -1.426 5.737 2.779) 6.532 5.407 ( 1.369 -4.810 4.258) 6.568 5.407 ( 1.369 4.810 4.258) 6.568 5.855 ( 5.054 -4.470 -1.224) 6.857 5.855 ( 5.054 4.470 -1.224) 6.857 6.065 ( 0.283 -2.837 0.906) 2.991 6.065 ( 0.283 2.837 0.906) 2.991 6.166 ( 0.597 -2.042 1.194) 2.440 6.166 ( 0.597 2.042 1.194) 2.440 6.339 ( -0.032 -1.057 0.959) 1.428 6.339 ( -0.032 1.057 0.959) 1.428 6.556 ( -2.821 -1.199 -0.616) 3.127 6.556 ( -2.821 1.199 -0.616) 3.127 6.817 ( -2.036 -3.826 0.363) 4.349 6.817 ( -2.036 3.826 0.363) 4.349 7.171 ( 1.960 -3.100 1.840) 4.104 7.171 ( 1.960 3.100 1.840) 4.104 7.617 ( 3.433 -11.601 -4.160) 12.794 7.617 ( 3.433 11.601 -4.160) 12.794 7.988 ( -1.677 -1.222 0.833) 2.236 7.988 ( -1.677 1.222 0.833) 2.236 8.208 ( 2.019 -4.580 -0.561) 5.036 8.208 ( 2.019 4.580 -0.561) 5.036 8.567 ( -0.329 -1.918 -1.074) 2.222 8.567 ( -0.329 1.918 -1.074) 2.222 8.903 ( -10.243 -5.885 -4.490) 12.638 8.903 ( -10.243 5.885 -4.490) 12.638 11.072 ( 4.172 -3.982 -1.085) 5.869 11.072 ( 4.172 3.982 -1.085) 5.869 11.258 ( 0.997 -1.661 2.263) 2.979 11.258 ( 0.997 1.661 2.263) 2.979 11.398 ( 0.411 -2.095 0.625) 2.224 11.398 ( 0.411 2.095 0.625) 2.224 11.494 ( -1.452 -1.441 0.120) 2.049 11.494 ( -1.452 1.441 0.120) 2.049 11.680 ( 1.818 -1.157 1.134) 2.435 11.680 ( 1.818 1.157 1.134) 2.435 12.009 ( -1.408 -0.868 0.820) 1.846 12.009 ( -1.408 0.868 0.820) 1.846 16.541 ( -0.621 -0.708 -0.218) 0.966 16.541 ( -0.621 0.708 -0.218) 0.966 16.598 ( -0.112 -0.344 0.408) 0.545 16.598 ( -0.112 0.344 0.408) 0.545 23.054 ( 3.939 -3.518 2.211) 5.725 23.054 ( 3.939 3.518 2.211) 5.725 23.437 ( 7.249 -3.741 -3.064) 8.714 23.437 ( 7.249 3.741 -3.064) 8.714 24.629 ( -1.737 -4.237 0.021) 4.579 24.629 ( -1.737 4.237 0.021) 4.579 25.219 ( 2.555 -3.155 -1.085) 4.202 25.219 ( 2.555 3.155 -1.085) 4.202 26.030 ( -1.630 -10.633 -2.614) 11.070 26.030 ( -1.630 10.633 -2.614) 11.070 26.928 ( -10.304 -2.466 3.426) 11.136 26.928 ( -10.304 2.466 3.426) 11.136 ======================= Grid point 37 (21/128) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 6.351 -4.272 3.565) 8.444 1.695 ( 6.351 4.272 3.565) 8.444 2.035 ( 8.240 -3.983 -5.996) 10.941 2.035 ( 8.240 3.983 -5.996) 10.941 2.676 ( -1.409 -6.639 -4.340) 8.056 2.676 ( -1.409 6.639 -4.340) 8.056 2.829 ( 9.213 -2.741 -0.357) 9.619 2.829 ( 9.213 2.741 -0.357) 9.619 3.104 ( 0.149 -10.554 4.593) 11.511 3.104 ( 0.149 10.554 4.593) 11.511 3.243 ( 4.456 -1.675 -7.269) 8.689 3.243 ( 4.456 1.675 -7.269) 8.689 3.521 ( 8.754 -5.013 -3.211) 10.587 3.521 ( 8.754 5.013 -3.211) 10.587 3.650 ( 4.551 -6.019 -3.098) 8.157 3.650 ( 4.551 6.019 -3.098) 8.157 4.000 ( 0.635 -2.240 1.497) 2.767 4.000 ( 0.635 2.240 1.497) 2.767 4.160 ( 0.968 -5.544 -3.086) 6.418 4.160 ( 0.968 5.544 -3.086) 6.418 4.294 ( -4.203 -3.632 5.656) 7.928 4.294 ( -4.203 3.632 5.656) 7.928 4.594 ( -0.514 -6.786 3.061) 7.462 4.594 ( -0.514 6.786 3.061) 7.462 4.745 ( -3.100 -3.890 -0.758) 5.032 4.745 ( -3.100 3.890 -0.758) 5.032 4.910 ( -6.349 -5.236 6.234) 10.324 4.910 ( -6.349 5.236 6.234) 10.324 5.190 ( -5.323 -7.446 -0.914) 9.199 5.190 ( -5.323 7.446 -0.914) 9.199 5.502 ( 3.130 -3.947 4.080) 6.483 5.502 ( 3.130 3.947 4.080) 6.483 5.914 ( 2.413 -5.308 -2.146) 6.214 5.914 ( 2.413 5.308 -2.146) 6.214 6.037 ( -2.873 -2.889 -0.806) 4.154 6.037 ( -2.873 2.889 -0.806) 4.154 6.237 ( 4.813 -2.477 1.868) 5.726 6.237 ( 4.813 2.477 1.868) 5.726 6.361 ( -1.329 -2.610 5.949) 6.631 6.361 ( -1.329 2.610 5.949) 6.631 6.542 ( 2.601 -0.249 -1.564) 3.046 6.542 ( 2.601 0.249 -1.564) 3.046 6.750 ( -4.663 -3.826 -0.672) 6.069 6.750 ( -4.663 3.826 -0.672) 6.069 7.208 ( -1.491 -1.715 2.892) 3.678 7.208 ( -1.491 1.715 2.892) 3.678 7.606 ( 0.884 -10.873 -7.893) 13.465 7.606 ( 0.884 10.873 -7.893) 13.465 7.996 ( 1.115 -5.223 1.020) 5.437 7.996 ( 1.115 5.223 1.020) 5.437 8.206 ( -1.546 -4.341 -1.586) 4.874 8.206 ( -1.546 4.341 -1.586) 4.874 8.536 ( -1.743 -4.704 -1.908) 5.367 8.536 ( -1.743 4.704 -1.908) 5.367 8.686 ( -6.908 -6.226 -2.020) 9.516 8.686 ( -6.908 6.226 -2.020) 9.516 11.127 ( 2.793 -3.228 -0.984) 4.381 11.127 ( 2.793 3.228 -0.984) 4.381 11.303 ( 1.489 -2.759 1.947) 3.691 11.303 ( 1.489 2.759 1.947) 3.691 11.394 ( -1.705 -1.907 0.849) 2.695 11.394 ( -1.705 1.907 0.849) 2.695 11.496 ( 1.562 -3.166 0.015) 3.530 11.496 ( 1.562 3.166 0.015) 3.530 11.732 ( 1.971 -1.123 1.864) 2.936 11.732 ( 1.971 1.123 1.864) 2.936 11.986 ( -1.813 -1.173 0.721) 2.276 11.986 ( -1.813 1.173 0.721) 2.276 16.524 ( -0.861 -0.800 -0.334) 1.222 16.524 ( -0.861 0.800 -0.334) 1.222 16.600 ( -0.217 -0.539 0.595) 0.831 16.600 ( -0.217 0.539 0.595) 0.831 23.139 ( 3.191 -3.496 1.049) 4.848 23.139 ( 3.191 3.496 1.049) 4.848 23.577 ( 11.036 -0.369 -3.578) 11.607 23.577 ( 11.036 0.369 -3.578) 11.607 24.585 ( -2.915 -3.793 -0.321) 4.794 24.585 ( -2.915 3.793 -0.321) 4.794 25.251 ( 2.974 -1.759 -3.994) 5.281 25.251 ( 2.974 1.759 -3.994) 5.281 25.971 ( -1.374 -8.167 -2.235) 8.578 25.971 ( -1.374 8.167 -2.235) 8.578 26.755 ( -13.566 -2.627 7.246) 15.603 26.755 ( -13.566 2.627 7.246) 15.603 ======================= Grid point 39 (22/128) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 6.762 -4.982 4.211) 9.396 1.855 ( 6.762 4.982 4.211) 9.396 2.074 ( 5.459 -9.591 -9.381) 14.484 2.074 ( 5.459 9.591 -9.381) 14.484 2.597 ( -1.854 -8.233 -5.588) 10.122 2.597 ( -1.854 8.233 -5.588) 10.122 2.913 ( -2.138 -0.878 0.163) 2.317 2.913 ( -2.138 0.878 0.163) 2.317 3.074 ( 0.074 -4.673 -3.562) 5.876 3.074 ( 0.074 4.673 -3.562) 5.876 3.301 ( 4.441 -4.174 0.334) 6.104 3.301 ( 4.441 4.174 0.334) 6.104 3.610 ( 6.602 -6.761 -5.278) 10.824 3.610 ( 6.602 6.761 -5.278) 10.824 3.791 ( 5.714 -6.156 2.244) 8.693 3.791 ( 5.714 6.156 2.244) 8.693 4.000 ( 0.819 -3.472 -1.881) 4.033 4.000 ( 0.819 3.472 -1.881) 4.033 4.190 ( 2.439 -4.092 -0.200) 4.768 4.190 ( 2.439 4.092 -0.200) 4.768 4.292 ( 0.222 -5.227 6.249) 8.150 4.292 ( 0.222 5.227 6.249) 8.150 4.648 ( -1.076 -4.630 3.112) 5.682 4.648 ( -1.076 4.630 3.112) 5.682 4.706 ( 0.048 -6.413 3.068) 7.109 4.706 ( 0.048 6.413 3.068) 7.109 4.907 ( 1.932 -6.181 4.132) 7.682 4.907 ( 1.932 6.181 4.132) 7.682 5.100 ( -3.215 -7.640 -0.572) 8.309 5.100 ( -3.215 7.640 -0.572) 8.309 5.593 ( 3.588 -0.552 3.173) 4.821 5.593 ( 3.588 0.552 3.173) 4.821 5.893 ( -1.142 -4.445 -3.384) 5.702 5.893 ( -1.142 4.445 -3.384) 5.702 5.993 ( -0.846 -1.817 -0.358) 2.037 5.993 ( -0.846 1.817 -0.358) 2.037 6.310 ( 0.577 -1.886 1.234) 2.326 6.310 ( 0.577 1.886 1.234) 2.326 6.411 ( -0.042 -4.539 6.001) 7.525 6.411 ( -0.042 4.539 6.001) 7.525 6.591 ( 3.828 -0.864 -2.142) 4.471 6.591 ( 3.828 0.864 -2.142) 4.471 6.660 ( -3.684 -4.206 -0.873) 5.659 6.660 ( -3.684 4.206 -0.873) 5.659 7.167 ( -5.411 -2.542 2.336) 6.418 7.167 ( -5.411 2.542 2.336) 6.418 7.467 ( -6.833 -9.682 -10.141) 15.597 7.467 ( -6.833 9.682 -10.141) 15.597 7.962 ( -4.803 -7.221 -1.349) 8.777 7.962 ( -4.803 7.221 -1.349) 8.777 8.204 ( 3.506 -1.042 0.804) 3.745 8.204 ( 3.506 1.042 0.804) 3.745 8.495 ( -1.145 -1.587 -0.104) 1.960 8.495 ( -1.145 1.587 -0.104) 1.960 8.640 ( 0.943 -2.159 0.488) 2.406 8.640 ( 0.943 2.159 0.488) 2.406 11.155 ( 1.141 -2.109 -0.246) 2.410 11.155 ( 1.141 2.109 -0.246) 2.410 11.345 ( 0.670 -2.100 2.245) 3.146 11.345 ( 0.670 2.100 2.245) 3.146 11.374 ( -0.518 -0.906 0.094) 1.048 11.374 ( -0.518 0.906 0.094) 1.048 11.523 ( 1.297 -2.895 -0.497) 3.211 11.523 ( 1.297 2.895 -0.497) 3.211 11.769 ( 0.128 -1.504 1.150) 1.898 11.769 ( 0.128 1.504 1.150) 1.898 11.970 ( -0.294 -3.654 0.413) 3.689 11.970 ( -0.294 3.654 0.413) 3.689 16.507 ( -0.674 -1.506 -0.288) 1.675 16.507 ( -0.674 1.506 -0.288) 1.675 16.600 ( -0.333 -1.018 0.475) 1.172 16.600 ( -0.333 1.018 0.475) 1.172 23.187 ( 2.109 -3.368 -0.634) 4.024 23.187 ( 2.109 3.368 -0.634) 4.024 23.731 ( 8.832 -1.488 -2.612) 9.330 23.731 ( 8.832 1.488 -2.612) 9.330 24.524 ( -3.060 -2.624 -0.775) 4.105 24.524 ( -3.060 2.624 -0.775) 4.105 25.229 ( 0.488 -1.286 -6.881) 7.017 25.229 ( 0.488 1.286 -6.881) 7.017 25.964 ( 1.598 -3.244 0.633) 3.671 25.964 ( 1.598 3.244 0.633) 3.671 26.606 ( -11.257 -4.982 8.419) 14.913 26.606 ( -11.257 4.982 8.419) 14.913 ======================= Grid point 41 (23/128) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 5.324 -5.202 2.834) 7.965 2.003 ( 5.324 5.202 2.834) 7.965 2.075 ( 3.696 -9.577 -6.749) 12.286 2.075 ( 3.696 9.577 -6.750) 12.286 2.505 ( -2.728 -6.427 -4.621) 8.373 2.505 ( -2.728 6.427 -4.621) 8.373 2.807 ( -6.951 -0.573 1.017) 7.049 2.807 ( -6.951 0.573 1.017) 7.049 3.081 ( 3.796 -2.780 -3.491) 5.859 3.081 ( 3.796 2.780 -3.491) 5.859 3.381 ( 1.625 -2.392 3.302) 4.390 3.381 ( 1.625 2.392 3.302) 4.390 3.646 ( 2.553 -5.592 -6.958) 9.285 3.646 ( 2.553 5.592 -6.958) 9.285 3.835 ( -0.485 -4.589 3.448) 5.761 3.835 ( -0.485 4.589 3.448) 5.761 4.019 ( 2.593 -3.650 -1.449) 4.706 4.019 ( 2.593 3.650 -1.449) 4.706 4.203 ( -1.462 -0.886 1.948) 2.592 4.203 ( -1.462 0.886 1.948) 2.592 4.379 ( 2.906 -2.385 0.907) 3.867 4.379 ( 2.906 2.385 0.907) 3.867 4.589 ( -5.385 -1.619 1.552) 5.833 4.589 ( -5.385 1.619 1.552) 5.833 4.848 ( 8.075 -5.293 5.488) 11.106 4.848 ( 8.075 5.293 5.488) 11.106 5.021 ( 4.377 -6.247 1.928) 7.867 5.021 ( 4.377 6.247 1.928) 7.867 5.064 ( -0.544 -7.836 -0.103) 7.855 5.064 ( -0.544 7.836 -0.103) 7.855 5.719 ( 6.519 -3.301 3.449) 8.080 5.719 ( 6.519 3.301 3.449) 8.080 5.840 ( -0.554 -4.534 -3.271) 5.618 5.840 ( -0.554 4.534 -3.271) 5.618 5.998 ( 2.164 -3.521 -0.157) 4.136 5.998 ( 2.164 3.521 -0.157) 4.136 6.301 ( -2.715 -1.913 2.100) 3.930 6.301 ( -2.715 1.913 2.100) 3.930 6.421 ( -3.928 -5.524 1.582) 6.960 6.421 ( -3.928 5.524 1.582) 6.960 6.579 ( 0.509 -3.152 -4.265) 5.328 6.579 ( 0.509 3.152 -4.265) 5.328 6.666 ( 1.745 -4.081 2.243) 4.973 6.666 ( 1.745 4.081 2.243) 4.973 7.054 ( -9.041 -4.918 -1.295) 10.373 7.054 ( -9.041 4.918 -1.295) 10.373 7.232 ( -6.537 -3.130 -5.365) 9.017 7.232 ( -6.537 3.130 -5.365) 9.017 7.886 ( -1.906 -6.635 -0.957) 6.970 7.886 ( -1.906 6.635 -0.957) 6.970 8.281 ( 2.733 -2.880 1.138) 4.130 8.281 ( 2.733 2.880 1.138) 4.130 8.480 ( -0.519 -3.943 -0.243) 3.984 8.480 ( -0.519 3.943 -0.243) 3.984 8.688 ( 2.437 -1.634 1.347) 3.228 8.688 ( 2.437 1.634 1.347) 3.228 11.166 ( 0.299 -1.748 0.033) 1.773 11.166 ( 0.299 1.748 0.033) 1.773 11.359 ( -0.781 -0.913 1.766) 2.136 11.359 ( -0.781 0.913 1.766) 2.136 11.390 ( 1.653 -1.195 -0.122) 2.043 11.390 ( 1.653 1.195 -0.122) 2.043 11.529 ( -0.023 -2.408 -0.526) 2.465 11.529 ( -0.023 2.408 -0.526) 2.465 11.763 ( -0.926 -2.974 0.062) 3.116 11.763 ( -0.926 2.974 0.062) 3.116 11.981 ( 0.680 -5.298 0.307) 5.350 11.981 ( 0.680 5.298 0.307) 5.350 16.496 ( -0.331 -2.045 -0.156) 2.077 16.496 ( -0.331 2.045 -0.156) 2.077 16.598 ( -0.271 -1.275 0.231) 1.324 16.598 ( -0.271 1.275 0.231) 1.324 23.208 ( 1.119 -2.620 -0.848) 2.972 23.208 ( 1.119 2.620 -0.848) 2.972 23.832 ( 4.432 -1.788 -1.282) 4.948 23.832 ( 4.432 1.788 -1.282) 4.948 24.469 ( -1.949 -1.029 -0.739) 2.325 24.469 ( -1.949 1.029 -0.739) 2.325 25.160 ( -0.827 -1.872 -5.031) 5.431 25.160 ( -0.827 1.872 -5.031) 5.431 26.019 ( 2.698 -0.812 1.054) 3.008 26.019 ( 2.698 0.813 1.054) 3.008 26.515 ( -6.501 -7.492 5.698) 11.440 26.515 ( -6.501 7.492 5.698) 11.440 ======================= Grid point 43 (24/128) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 0.000 -8.358 -0.000) 8.358 2.075 ( 0.000 8.358 -0.000) 8.358 2.076 ( -0.000 -3.554 0.000) 3.554 2.076 ( -0.000 3.554 0.000) 3.554 2.442 ( 0.000 -5.218 0.000) 5.218 2.442 ( 0.000 5.218 0.000) 5.218 2.747 ( 0.000 -0.113 0.000) 0.113 2.747 ( 0.000 0.113 0.000) 0.113 3.105 ( 0.000 -4.012 0.000) 4.012 3.105 ( 0.000 4.012 0.000) 4.012 3.416 ( 0.000 -1.545 0.000) 1.545 3.416 ( -0.000 1.545 0.000) 1.545 3.612 ( 0.000 -0.617 -0.000) 0.617 3.612 ( 0.000 0.617 0.000) 0.617 3.856 ( 0.000 -6.733 0.000) 6.733 3.856 ( 0.000 6.733 0.000) 6.733 4.041 ( 0.000 -5.181 -0.000) 5.181 4.041 ( 0.000 5.181 0.000) 5.181 4.199 ( 0.000 -1.468 0.000) 1.468 4.199 ( 0.000 1.468 0.000) 1.468 4.400 ( 0.000 -6.906 0.000) 6.906 4.400 ( 0.000 6.906 0.000) 6.906 4.545 ( 0.000 -3.974 0.000) 3.974 4.545 ( 0.000 3.974 -0.000) 3.974 4.970 ( 0.000 -3.569 0.000) 3.569 4.970 ( 0.000 3.569 0.000) 3.569 5.049 ( 0.000 -5.188 0.000) 5.188 5.049 ( 0.000 5.188 0.000) 5.188 5.078 ( 0.000 -7.792 0.000) 7.792 5.078 ( 0.000 7.792 0.000) 7.792 5.794 ( 0.000 -8.221 -0.000) 8.221 5.794 ( 0.000 8.221 -0.000) 8.221 5.833 ( 0.000 -0.624 0.000) 0.624 5.833 ( 0.000 0.624 0.000) 0.624 6.063 ( 0.000 -1.679 0.000) 1.679 6.063 ( 0.000 1.679 0.000) 1.679 6.264 ( 0.000 -2.403 0.000) 2.403 6.264 ( 0.000 2.403 0.000) 2.403 6.362 ( 0.000 -4.872 0.000) 4.872 6.362 ( 0.000 4.872 0.000) 4.872 6.569 ( 0.000 -4.838 0.000) 4.838 6.569 ( 0.000 4.838 0.000) 4.838 6.703 ( 0.000 -4.302 0.000) 4.302 6.703 ( 0.000 4.302 -0.000) 4.302 6.915 ( 0.000 -2.502 0.000) 2.502 6.915 ( 0.000 2.502 0.000) 2.502 7.164 ( 0.000 -0.668 0.000) 0.668 7.164 ( 0.000 0.668 0.000) 0.668 7.866 ( 0.000 -6.298 0.000) 6.298 7.866 ( 0.000 6.298 -0.000) 6.298 8.312 ( 0.000 -0.034 0.000) 0.034 8.312 ( 0.000 0.034 0.000) 0.034 8.474 ( 0.000 -3.607 0.000) 3.607 8.474 ( 0.000 3.607 0.000) 3.607 8.721 ( 0.000 -0.780 0.000) 0.780 8.721 ( 0.000 0.780 0.000) 0.780 11.169 ( 0.000 -1.722 0.000) 1.722 11.169 ( 0.000 1.722 0.000) 1.722 11.361 ( 0.000 -0.661 0.000) 0.661 11.361 ( 0.000 0.661 0.000) 0.661 11.407 ( 0.000 -1.855 -0.000) 1.855 11.407 ( 0.000 1.855 -0.000) 1.855 11.523 ( 0.000 -2.657 0.000) 2.657 11.523 ( 0.000 2.657 0.000) 2.657 11.753 ( 0.000 -1.910 0.000) 1.910 11.753 ( 0.000 1.910 0.000) 1.910 11.989 ( 0.000 -5.178 0.000) 5.178 11.989 ( 0.000 5.178 0.000) 5.178 16.492 ( 0.000 -2.243 0.000) 2.243 16.492 ( 0.000 2.243 0.000) 2.243 16.596 ( 0.000 -1.350 0.000) 1.350 16.596 ( 0.000 1.350 0.000) 1.350 23.214 ( 0.000 -2.129 0.000) 2.129 23.214 ( 0.000 2.129 0.000) 2.129 23.866 ( 0.000 -1.778 0.000) 1.778 23.866 ( 0.000 1.778 0.000) 1.778 24.447 ( 0.000 -0.189 0.000) 0.189 24.447 ( 0.000 0.189 0.000) 0.189 25.125 ( 0.000 -1.351 0.000) 1.351 25.125 ( 0.000 1.351 0.000) 1.351 26.053 ( 0.000 -0.694 0.000) 0.694 26.053 ( 0.000 0.694 0.000) 0.694 26.484 ( 0.000 -8.816 0.000) 8.816 26.484 ( 0.000 8.816 0.000) 8.816 ======================= Grid point 77 (25/128) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -3.180 0.000 26.874) 27.061 0.637 ( -1.262 0.000 29.096) 29.123 1.008 ( -8.135 0.000 46.367) 47.075 2.345 ( 7.101 0.000 4.274) 8.288 2.519 ( -0.178 0.000 -10.811) 10.812 2.610 ( 2.811 0.000 -11.996) 12.321 2.651 ( 4.125 0.000 -0.309) 4.136 2.717 ( 2.778 0.000 -0.154) 2.782 2.884 ( 4.863 0.000 4.333) 6.513 2.899 ( -8.499 0.000 6.029) 10.420 3.036 ( -0.723 0.000 1.770) 1.912 3.213 ( 3.435 0.000 -2.174) 4.065 3.276 ( -1.564 0.000 1.749) 2.346 3.534 ( -11.921 0.000 -9.135) 15.018 3.706 ( 1.030 0.000 -5.268) 5.367 3.925 ( 7.339 0.000 -7.397) 10.420 3.962 ( -1.909 0.000 -4.146) 4.565 4.070 ( 1.826 0.000 -10.215) 10.377 4.200 ( -1.254 0.000 -0.318) 1.294 4.269 ( -3.419 0.000 5.855) 6.780 4.488 ( 1.497 0.000 -1.114) 1.866 4.525 ( -3.013 0.000 6.825) 7.461 4.629 ( -1.906 0.000 -4.324) 4.726 4.762 ( -4.219 0.000 3.450) 5.450 4.872 ( 5.132 0.000 -1.081) 5.245 5.050 ( -1.454 0.000 -14.673) 14.745 5.141 ( -0.228 0.000 1.394) 1.412 5.291 ( 4.555 0.000 -3.279) 5.612 5.342 ( -3.002 0.000 -1.023) 3.172 5.538 ( 1.775 0.000 6.347) 6.590 5.555 ( 5.229 0.000 8.907) 10.328 5.575 ( -1.026 0.000 -0.582) 1.180 5.788 ( -1.864 0.000 1.952) 2.699 5.789 ( -3.368 0.000 -2.144) 3.992 5.963 ( 5.199 0.000 5.904) 7.867 6.013 ( -4.140 0.000 -4.638) 6.217 6.098 ( -0.799 0.000 -4.124) 4.201 6.156 ( 0.720 0.000 -0.097) 0.726 6.254 ( 3.454 0.000 -0.120) 3.456 6.279 ( 0.940 0.000 4.692) 4.785 6.436 ( -1.259 0.000 -0.957) 1.582 6.585 ( -4.900 0.000 3.089) 5.792 6.771 ( -6.618 0.000 9.738) 11.774 6.853 ( 6.085 0.000 4.171) 7.377 6.864 ( -1.595 0.000 -3.530) 3.874 7.190 ( 25.701 0.000 -0.828) 25.715 7.254 ( 5.159 0.000 1.625) 5.409 7.771 ( 0.808 0.000 1.493) 1.698 7.829 ( -26.535 0.000 -0.838) 26.548 7.981 ( -0.464 0.000 -0.600) 0.759 8.293 ( 1.685 0.000 -1.150) 2.040 8.419 ( -0.791 0.000 1.846) 2.008 8.468 ( -3.012 0.000 -3.136) 4.349 8.714 ( -5.009 0.000 -2.505) 5.600 8.751 ( -1.826 0.000 -1.325) 2.256 9.055 ( 4.616 0.000 -9.452) 10.518 10.857 ( 1.650 0.000 0.905) 1.882 10.936 ( 1.097 0.000 -0.404) 1.169 11.064 ( -1.351 0.000 5.348) 5.516 11.371 ( -0.629 0.000 -1.352) 1.491 11.441 ( -3.834 0.000 1.282) 4.042 11.480 ( 0.565 0.000 1.843) 1.928 11.585 ( 2.288 0.000 -0.991) 2.493 11.604 ( -0.674 0.000 -0.167) 0.694 11.688 ( -2.974 0.000 1.520) 3.340 11.800 ( 0.272 0.000 -0.905) 0.945 11.909 ( -1.434 0.000 0.447) 1.502 11.923 ( 0.921 0.000 0.072) 0.924 16.523 ( 0.520 0.000 -0.093) 0.528 16.533 ( -0.774 0.000 -0.291) 0.827 16.601 ( 0.241 0.000 0.356) 0.430 16.604 ( 0.227 0.000 0.263) 0.347 22.915 ( 29.234 0.000 0.332) 29.236 23.064 ( -2.269 0.000 -1.352) 2.641 23.212 ( 3.001 0.000 3.112) 4.324 23.580 ( -2.735 0.000 -2.726) 3.861 24.517 ( -5.324 0.000 0.056) 5.325 24.548 ( 0.293 0.000 0.484) 0.566 24.846 ( -2.388 0.000 5.499) 5.996 25.193 ( 0.092 0.000 7.898) 7.898 25.445 ( 2.976 0.000 -3.646) 4.706 26.533 ( 0.292 0.000 -14.724) 14.727 27.018 ( 2.140 0.000 8.532) 8.796 27.611 ( -20.377 0.000 -3.362) 20.652 ======================= Grid point 78 (26/128) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 11.916 0.000 22.099) 25.107 1.017 ( 11.816 0.000 23.740) 26.518 1.617 ( 22.202 0.000 36.522) 42.741 2.457 ( 5.199 0.000 -14.035) 14.967 2.493 ( 4.187 0.000 -8.783) 9.730 2.650 ( 11.444 0.000 3.513) 11.972 2.655 ( -4.357 0.000 -3.359) 5.501 2.821 ( 4.881 0.000 -1.649) 5.152 2.838 ( 0.842 0.000 4.057) 4.143 3.006 ( 4.245 0.000 3.889) 5.757 3.124 ( 7.995 0.000 2.425) 8.355 3.195 ( -4.561 0.000 -1.838) 4.918 3.299 ( 7.802 0.000 -1.340) 7.916 3.358 ( 2.120 0.000 -3.401) 4.008 3.680 ( 2.411 0.000 -7.644) 8.016 3.897 ( 1.345 0.000 -5.381) 5.547 3.901 ( -1.236 0.000 -9.033) 9.117 4.011 ( 0.512 0.000 -4.236) 4.267 4.193 ( -10.053 0.000 4.850) 11.161 4.195 ( 2.580 0.000 -3.993) 4.754 4.418 ( -4.790 0.000 -4.726) 6.729 4.480 ( -6.147 0.000 2.092) 6.493 4.602 ( -0.868 0.000 2.608) 2.749 4.701 ( -5.155 0.000 0.592) 5.189 4.850 ( -5.111 0.000 -13.737) 14.657 4.896 ( -4.434 0.000 3.505) 5.652 5.024 ( -7.929 0.000 -1.028) 7.995 5.272 ( -2.899 0.000 0.187) 2.905 5.307 ( 0.206 0.000 -1.261) 1.277 5.551 ( -1.584 0.000 2.773) 3.193 5.599 ( -2.689 0.000 7.539) 8.004 5.679 ( -4.054 0.000 3.248) 5.195 5.751 ( 1.734 0.000 -0.988) 1.996 5.814 ( -0.796 0.000 4.006) 4.084 5.928 ( 0.469 0.000 -1.547) 1.616 5.990 ( -4.510 0.000 -4.492) 6.365 6.120 ( 7.131 0.000 3.479) 7.934 6.191 ( 0.457 0.000 2.764) 2.802 6.319 ( 4.623 0.000 -3.012) 5.517 6.354 ( 2.813 0.000 5.781) 6.430 6.417 ( -1.373 0.000 3.409) 3.676 6.577 ( 0.344 0.000 2.799) 2.820 6.734 ( -3.202 0.000 4.540) 5.556 6.817 ( -1.468 0.000 -3.269) 3.583 6.964 ( 0.931 0.000 0.904) 1.298 7.090 ( -14.213 0.000 5.832) 15.363 7.390 ( 0.427 0.000 10.581) 10.589 7.737 ( 9.935 0.000 -15.308) 18.249 7.883 ( 9.857 0.000 5.171) 11.131 7.924 ( -4.332 0.000 -0.693) 4.387 8.290 ( -0.666 0.000 -1.570) 1.705 8.362 ( -4.551 0.000 -3.253) 5.594 8.420 ( -0.907 0.000 2.669) 2.819 8.719 ( 0.665 0.000 -2.879) 2.955 8.761 ( 1.837 0.000 -0.600) 1.932 8.997 ( -0.725 0.000 -9.652) 9.679 10.932 ( 4.938 0.000 1.666) 5.212 10.961 ( 3.172 0.000 -2.693) 4.161 11.102 ( -0.202 0.000 5.264) 5.268 11.338 ( -1.471 0.000 -1.157) 1.871 11.403 ( -2.820 0.000 3.145) 4.224 11.482 ( -2.704 0.000 2.667) 3.798 11.580 ( -1.509 0.000 -0.623) 1.632 11.599 ( 0.124 0.000 -1.122) 1.129 11.668 ( -0.348 0.000 0.708) 0.789 11.778 ( -0.874 0.000 -0.221) 0.902 11.928 ( 3.674 0.000 -1.071) 3.827 11.930 ( -0.940 0.000 0.495) 1.063 16.507 ( -1.543 0.000 -0.514) 1.626 16.529 ( 0.202 0.000 0.214) 0.294 16.608 ( 0.157 0.000 0.241) 0.288 16.612 ( 0.294 0.000 0.306) 0.424 23.050 ( 3.346 0.000 -3.303) 4.702 23.260 ( 8.704 0.000 -0.419) 8.714 23.517 ( 0.080 0.000 -5.095) 5.096 23.598 ( 35.213 0.000 -18.489) 39.772 24.478 ( -1.273 0.000 2.384) 2.703 24.570 ( 1.561 0.000 0.921) 1.812 24.859 ( -1.404 0.000 4.674) 4.880 25.297 ( 1.145 0.000 10.474) 10.537 25.472 ( 3.567 0.000 -3.460) 4.970 26.334 ( -5.389 0.000 -16.022) 16.904 27.079 ( -33.860 0.000 13.762) 36.550 27.090 ( -3.832 0.000 9.842) 10.561 ======================= Grid point 79 (27/128) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 16.162 0.000 16.848) 23.346 1.459 ( 13.785 0.000 17.722) 22.452 2.305 ( -7.199 0.000 -13.549) 15.343 2.318 ( 16.443 0.000 21.514) 27.078 2.496 ( 10.790 0.000 -7.244) 12.996 2.543 ( 3.742 0.000 -10.690) 11.326 2.875 ( 8.357 0.000 3.303) 8.986 2.884 ( 3.942 0.000 -1.891) 4.372 2.927 ( 2.177 0.000 5.073) 5.521 3.106 ( 2.892 0.000 3.201) 4.314 3.236 ( 6.580 0.000 -0.215) 6.583 3.336 ( 10.578 0.000 3.945) 11.290 3.384 ( 3.969 0.000 -10.630) 11.347 3.429 ( 6.507 0.000 0.386) 6.518 3.698 ( 6.754 0.000 -2.368) 7.158 3.802 ( -0.039 0.000 -4.477) 4.477 3.915 ( 4.661 0.000 -4.315) 6.352 3.987 ( 0.065 0.000 -1.860) 1.861 4.089 ( -1.970 0.000 5.728) 6.057 4.204 ( 2.091 0.000 -3.152) 3.783 4.282 ( -7.985 0.000 0.538) 8.003 4.382 ( -3.883 0.000 -2.454) 4.593 4.579 ( -7.142 0.000 5.173) 8.819 4.581 ( -9.525 0.000 -0.466) 9.537 4.624 ( -2.341 0.000 -13.155) 13.362 4.773 ( -7.089 0.000 -0.378) 7.099 4.965 ( -1.840 0.000 4.421) 4.789 5.238 ( -2.374 0.000 1.590) 2.857 5.280 ( -3.333 0.000 0.990) 3.477 5.537 ( -3.098 0.000 -0.329) 3.115 5.597 ( -5.109 0.000 6.924) 8.605 5.626 ( -1.613 0.000 1.499) 2.202 5.707 ( -3.034 0.000 -0.753) 3.126 5.805 ( -1.124 0.000 -2.332) 2.589 5.887 ( -5.013 0.000 2.500) 5.602 5.981 ( 3.342 0.000 -0.085) 3.343 6.204 ( 1.103 0.000 -0.706) 1.310 6.273 ( 4.373 0.000 3.745) 5.758 6.358 ( -1.968 0.000 -2.297) 3.025 6.392 ( 2.664 0.000 -2.649) 3.757 6.491 ( 3.212 0.000 8.208) 8.814 6.654 ( 0.969 0.000 2.175) 2.381 6.729 ( -2.797 0.000 1.665) 3.255 6.750 ( 0.167 0.000 3.990) 3.993 6.922 ( -2.777 0.000 -4.049) 4.910 7.025 ( 4.411 0.000 -5.669) 7.183 7.404 ( -8.696 0.000 8.726) 12.319 7.684 ( 0.098 0.000 -13.888) 13.889 7.837 ( -3.743 0.000 -1.895) 4.195 8.179 ( 7.425 0.000 8.991) 11.661 8.252 ( -4.661 0.000 -1.618) 4.934 8.296 ( 8.335 0.000 0.285) 8.339 8.443 ( -0.069 0.000 3.488) 3.488 8.718 ( 2.267 0.000 -2.745) 3.560 8.718 ( -3.668 0.000 -3.280) 4.920 8.865 ( -6.181 0.000 -3.128) 6.927 10.998 ( 4.005 0.000 -2.982) 4.993 11.047 ( 5.749 0.000 1.028) 5.840 11.158 ( 1.355 0.000 3.935) 4.162 11.304 ( -1.332 0.000 -0.429) 1.400 11.391 ( -1.519 0.000 2.141) 2.625 11.448 ( -3.776 0.000 3.093) 4.881 11.544 ( -1.793 0.000 -0.186) 1.803 11.574 ( -1.324 0.000 -1.243) 1.816 11.678 ( 0.596 0.000 0.356) 0.695 11.776 ( 0.613 0.000 -0.263) 0.668 11.885 ( -4.184 0.000 -0.501) 4.213 11.994 ( 4.933 0.000 -1.980) 5.316 16.472 ( -1.817 0.000 -0.396) 1.860 16.535 ( 0.041 0.000 0.418) 0.420 16.611 ( 0.110 0.000 0.015) 0.111 16.618 ( 0.075 0.000 0.050) 0.090 23.118 ( 7.609 0.000 -3.363) 8.319 23.419 ( 8.313 0.000 1.283) 8.411 23.486 ( 2.234 0.000 -5.530) 5.964 23.893 ( 18.402 0.000 -16.297) 24.581 24.500 ( 0.467 0.000 3.392) 3.424 24.628 ( 3.614 0.000 1.788) 4.032 24.889 ( 0.752 0.000 2.545) 2.654 25.423 ( 1.290 0.000 10.442) 10.521 25.483 ( 1.235 0.000 -5.118) 5.264 26.061 ( -6.951 0.000 -14.695) 16.256 26.692 ( -24.640 0.000 12.359) 27.566 27.081 ( -7.504 0.000 9.697) 12.261 ======================= Grid point 80 (28/128) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 15.321 0.000 13.002) 20.095 1.799 ( 6.917 0.000 9.552) 11.793 2.104 ( 0.435 0.000 -9.782) 9.791 2.459 ( 4.839 0.000 -4.590) 6.670 2.542 ( 5.629 0.000 -6.216) 8.386 2.778 ( 6.872 0.000 4.117) 8.011 2.886 ( 0.009 0.000 -4.507) 4.507 2.967 ( -3.345 0.000 0.495) 3.381 3.030 ( 1.686 0.000 7.524) 7.711 3.240 ( 9.132 0.000 4.011) 9.973 3.286 ( 3.147 0.000 -14.670) 15.004 3.297 ( 0.877 0.000 -1.678) 1.893 3.549 ( 7.331 0.000 2.598) 7.778 3.554 ( 4.676 0.000 2.823) 5.462 3.765 ( 2.809 0.000 3.271) 4.312 3.851 ( 6.265 0.000 -3.644) 7.248 3.980 ( 3.746 0.000 -0.734) 3.817 4.001 ( 2.914 0.000 1.932) 3.496 4.145 ( -8.641 0.000 4.736) 9.854 4.168 ( -5.575 0.000 0.511) 5.598 4.275 ( -3.791 0.000 -3.997) 5.509 4.313 ( 14.766 0.000 8.101) 16.843 4.438 ( -3.265 0.000 -0.201) 3.271 4.478 ( -6.976 0.000 3.854) 7.970 4.572 ( 10.714 0.000 -12.719) 16.630 4.689 ( -1.733 0.000 -0.952) 1.977 4.986 ( -2.818 0.000 5.415) 6.104 5.199 ( -6.709 0.000 2.095) 7.029 5.212 ( -3.070 0.000 3.380) 4.566 5.467 ( -2.201 0.000 -1.211) 2.512 5.562 ( -3.452 0.000 2.642) 4.347 5.645 ( 1.580 0.000 0.220) 1.596 5.663 ( -1.806 0.000 0.393) 1.848 5.755 ( -0.591 0.000 -2.976) 3.034 5.854 ( -4.120 0.000 6.078) 7.343 6.012 ( -0.902 0.000 2.213) 2.390 6.233 ( 4.819 0.000 -4.146) 6.356 6.236 ( -7.401 0.000 -1.890) 7.638 6.327 ( -0.931 0.000 0.313) 0.982 6.437 ( 4.180 0.000 -4.665) 6.264 6.566 ( -2.922 0.000 4.012) 4.963 6.583 ( -1.673 0.000 -3.020) 3.452 6.755 ( -3.217 0.000 0.631) 3.278 6.836 ( 7.349 0.000 1.342) 7.471 6.880 ( 2.072 0.000 1.154) 2.371 7.066 ( 6.305 0.000 -7.327) 9.666 7.286 ( -11.333 0.000 6.061) 12.852 7.499 ( -6.773 0.000 -10.198) 12.243 7.747 ( -4.743 0.000 -0.657) 4.788 8.174 ( -2.404 0.000 -0.928) 2.577 8.250 ( 2.871 0.000 -0.941) 3.021 8.474 ( -0.113 0.000 2.944) 2.946 8.577 ( 9.034 0.000 6.183) 10.947 8.603 ( -4.371 0.000 -3.487) 5.591 8.736 ( -6.952 0.000 1.150) 7.047 8.764 ( 4.743 0.000 1.790) 5.069 11.040 ( 3.525 0.000 -2.804) 4.504 11.137 ( 3.789 0.000 -0.974) 3.912 11.222 ( 2.387 0.000 1.841) 3.015 11.283 ( -0.831 0.000 0.089) 0.836 11.390 ( -0.183 0.000 0.995) 1.012 11.416 ( -3.057 0.000 3.100) 4.354 11.515 ( -1.841 0.000 0.739) 1.984 11.534 ( -1.863 0.000 -0.933) 2.084 11.691 ( 0.184 0.000 0.514) 0.546 11.786 ( -4.618 0.000 -1.674) 4.912 11.786 ( 0.471 0.000 0.263) 0.539 12.058 ( 4.430 0.000 -2.555) 5.114 16.438 ( -1.575 0.000 -0.103) 1.578 16.538 ( -0.059 0.000 0.356) 0.361 16.613 ( 0.169 0.000 -0.106) 0.200 16.616 ( -0.134 0.000 -0.264) 0.296 23.247 ( 8.647 0.000 -0.864) 8.690 23.491 ( 3.217 0.000 -3.573) 4.808 23.568 ( 6.778 0.000 0.573) 6.802 24.004 ( 8.238 0.000 -7.662) 11.250 24.555 ( 1.549 0.000 3.633) 3.950 24.741 ( 6.537 0.000 2.990) 7.189 24.931 ( 1.667 0.000 1.626) 2.329 25.373 ( -6.209 0.000 -9.293) 11.177 25.537 ( 1.433 0.000 7.673) 7.806 25.862 ( -1.160 0.000 -9.229) 9.302 26.397 ( -19.210 0.000 6.932) 20.423 27.014 ( -8.479 0.000 6.294) 10.560 ======================= Grid point 81 (29/128) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 2.023 0.000 3.176) 3.765 2.109 ( 4.842 0.000 -4.671) 6.728 2.149 ( 11.865 0.000 9.393) 15.133 2.477 ( -2.535 0.000 0.931) 2.701 2.615 ( 3.851 0.000 -1.180) 4.028 2.769 ( -1.099 0.000 -10.002) 10.062 2.857 ( 1.707 0.000 -0.895) 1.927 2.928 ( 1.664 0.000 -0.519) 1.743 3.081 ( -3.202 0.000 4.241) 5.314 3.218 ( 4.821 0.000 -12.851) 13.725 3.281 ( 1.614 0.000 -4.124) 4.429 3.401 ( 1.826 0.000 5.123) 5.438 3.637 ( 2.756 0.000 -0.165) 2.761 3.650 ( 1.186 0.000 4.844) 4.987 3.816 ( -3.158 0.000 5.508) 6.349 3.849 ( -5.543 0.000 4.050) 6.865 4.012 ( -2.032 0.000 1.255) 2.389 4.042 ( 5.590 0.000 -5.256) 7.673 4.054 ( -6.228 0.000 2.372) 6.664 4.131 ( 2.293 0.000 3.308) 4.025 4.345 ( 8.043 0.000 -3.504) 8.773 4.418 ( -3.666 0.000 3.206) 4.871 4.419 ( 1.090 0.000 5.785) 5.886 4.639 ( 10.292 0.000 5.681) 11.756 4.687 ( 10.893 0.000 -9.147) 14.224 4.717 ( 5.173 0.000 2.582) 5.781 4.927 ( -7.682 0.000 2.797) 8.175 5.127 ( -3.337 0.000 2.615) 4.240 5.175 ( -5.733 0.000 3.398) 6.664 5.444 ( 1.265 0.000 -1.898) 2.281 5.544 ( -0.553 0.000 1.007) 1.149 5.644 ( -1.104 0.000 0.798) 1.362 5.672 ( 1.578 0.000 -0.744) 1.744 5.737 ( -0.084 0.000 -0.409) 0.417 5.830 ( -4.133 0.000 3.163) 5.205 6.008 ( -2.239 0.000 3.424) 4.092 6.077 ( -5.603 0.000 -4.512) 7.194 6.231 ( -0.855 0.000 -8.359) 8.403 6.303 ( 2.202 0.000 -1.507) 2.669 6.453 ( 0.217 0.000 1.634) 1.648 6.476 ( -6.882 0.000 0.760) 6.923 6.588 ( 7.363 0.000 -7.963) 10.845 6.734 ( -1.467 0.000 2.308) 2.735 6.934 ( 0.906 0.000 1.466) 1.723 6.996 ( 10.472 0.000 -0.218) 10.474 7.100 ( 4.848 0.000 -6.737) 8.300 7.155 ( -8.336 0.000 5.272) 9.863 7.275 ( -9.151 0.000 -3.892) 9.944 7.670 ( -4.394 0.000 2.530) 5.070 8.148 ( -0.009 0.000 -0.304) 0.304 8.288 ( 2.690 0.000 -2.221) 3.488 8.484 ( -0.999 0.000 0.703) 1.221 8.517 ( -2.314 0.000 -1.612) 2.820 8.644 ( -4.606 0.000 1.777) 4.937 8.676 ( 2.052 0.000 -1.379) 2.472 8.893 ( 2.116 0.000 5.107) 5.528 11.063 ( 2.086 0.000 -3.139) 3.769 11.158 ( 1.116 0.000 -3.313) 3.496 11.268 ( 1.826 0.000 -0.328) 1.855 11.270 ( -0.469 0.000 -0.717) 0.857 11.400 ( -2.243 0.000 3.389) 4.064 11.412 ( 1.060 0.000 1.840) 2.124 11.487 ( -2.016 0.000 0.381) 2.052 11.497 ( -1.256 0.000 -0.024) 1.256 11.684 ( -0.605 0.000 -0.583) 0.840 11.733 ( -0.602 0.000 0.801) 1.002 11.797 ( -0.000 0.000 1.092) 1.092 12.099 ( 3.116 0.000 -3.065) 4.371 16.416 ( -0.861 0.000 0.288) 0.908 16.537 ( -0.237 0.000 -0.137) 0.274 16.611 ( -0.019 0.000 -0.284) 0.285 16.615 ( 0.178 0.000 -0.123) 0.216 23.392 ( 5.775 0.000 2.620) 6.342 23.533 ( 3.319 0.000 0.576) 3.368 23.660 ( 3.584 0.000 -1.211) 3.784 24.077 ( 4.133 0.000 1.196) 4.302 24.605 ( 0.438 0.000 1.560) 1.620 24.922 ( 9.599 0.000 3.748) 10.305 24.991 ( 2.097 0.000 4.545) 5.005 25.126 ( -9.036 0.000 -9.615) 13.194 25.616 ( 1.379 0.000 2.796) 3.118 25.818 ( 3.025 0.000 -5.292) 6.096 26.127 ( -15.310 0.000 1.230) 15.359 26.900 ( -7.417 0.000 -0.260) 7.422 ======================= Grid point 82 (30/128) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -3.548 0.000 2.210) 4.180 2.194 ( 6.025 0.000 1.913) 6.322 2.298 ( -12.439 0.000 2.153) 12.624 2.421 ( 2.839 0.000 7.477) 7.998 2.644 ( 4.197 0.000 -3.013) 5.167 2.704 ( 4.631 0.000 -10.722) 11.680 2.852 ( -3.304 0.000 -1.796) 3.761 2.946 ( 1.313 0.000 -3.122) 3.387 3.061 ( -3.359 0.000 6.848) 7.627 3.197 ( 6.424 0.000 -12.815) 14.335 3.274 ( 3.753 0.000 -7.758) 8.618 3.450 ( 0.601 0.000 3.724) 3.773 3.672 ( 1.166 0.000 3.355) 3.551 3.674 ( -3.273 0.000 4.574) 5.624 3.819 ( -1.879 0.000 5.796) 6.093 3.844 ( -2.953 0.000 6.771) 7.387 3.962 ( -1.229 0.000 0.788) 1.460 4.023 ( 1.266 0.000 2.851) 3.119 4.157 ( -2.144 0.000 -1.595) 2.672 4.188 ( 8.130 0.000 5.274) 9.691 4.355 ( -0.947 0.000 -0.651) 1.149 4.372 ( -4.531 0.000 1.523) 4.780 4.482 ( -0.590 0.000 -3.122) 3.177 4.699 ( -10.053 0.000 -2.609) 10.386 4.750 ( -0.482 0.000 2.550) 2.595 4.816 ( 9.129 0.000 -0.176) 9.131 4.953 ( 1.440 0.000 8.371) 8.494 5.075 ( -6.250 0.000 2.908) 6.893 5.090 ( -2.684 0.000 0.876) 2.823 5.472 ( 3.709 0.000 -3.585) 5.158 5.542 ( -1.526 0.000 1.495) 2.136 5.636 ( -1.106 0.000 1.282) 1.693 5.672 ( -4.154 0.000 -5.500) 6.893 5.683 ( 0.654 0.000 -1.287) 1.444 5.807 ( -0.257 0.000 2.536) 2.549 5.972 ( -4.751 0.000 -0.034) 4.751 6.000 ( 1.364 0.000 -3.486) 3.743 6.211 ( 9.531 0.000 -5.710) 11.110 6.287 ( -2.469 0.000 -1.213) 2.751 6.416 ( -0.010 0.000 -0.038) 0.039 6.489 ( 0.532 0.000 3.929) 3.965 6.652 ( 6.970 0.000 -7.618) 10.326 6.715 ( -3.032 0.000 1.398) 3.339 6.916 ( -2.287 0.000 -2.279) 3.229 7.038 ( -4.997 0.000 -4.754) 6.898 7.110 ( -3.203 0.000 6.263) 7.034 7.162 ( 5.444 0.000 -2.647) 6.054 7.271 ( 12.888 0.000 3.813) 13.440 7.650 ( -2.152 0.000 5.773) 6.161 8.159 ( 0.457 0.000 1.307) 1.385 8.294 ( 0.472 0.000 -3.133) 3.168 8.447 ( -2.192 0.000 -2.238) 3.133 8.493 ( 1.165 0.000 -0.578) 1.300 8.613 ( -0.741 0.000 1.960) 2.095 8.660 ( -1.608 0.000 -3.191) 3.573 8.894 ( -3.852 0.000 0.107) 3.853 11.054 ( 0.741 0.000 -3.589) 3.665 11.128 ( 0.179 0.000 -4.639) 4.643 11.255 ( -0.040 0.000 -0.824) 0.825 11.288 ( 1.338 0.000 -0.895) 1.609 11.395 ( -1.912 0.000 3.117) 3.656 11.415 ( -4.209 0.000 2.002) 4.661 11.482 ( 2.107 0.000 0.235) 2.120 11.499 ( 1.051 0.000 0.210) 1.072 11.686 ( 0.682 0.000 0.936) 1.158 11.748 ( 0.442 0.000 2.039) 2.087 11.808 ( -0.208 0.000 1.463) 1.477 12.108 ( 1.527 0.000 -3.724) 4.025 16.414 ( 0.103 0.000 0.705) 0.712 16.527 ( -0.298 0.000 -0.798) 0.852 16.611 ( 0.200 0.000 -0.118) 0.232 16.617 ( 0.061 0.000 -0.120) 0.135 23.473 ( -0.266 0.000 3.543) 3.553 23.630 ( 2.993 0.000 6.785) 7.416 23.670 ( -0.706 0.000 -1.823) 1.954 24.191 ( 4.357 0.000 6.685) 7.979 24.586 ( -2.193 0.000 -2.146) 3.068 24.875 ( -7.310 0.000 -8.037) 10.864 25.105 ( 1.919 0.000 11.627) 11.784 25.174 ( 11.857 0.000 4.456) 12.667 25.621 ( -2.371 0.000 -1.779) 2.964 25.852 ( 5.019 0.000 -2.234) 5.494 25.886 ( -8.237 0.000 -5.500) 9.904 26.750 ( -4.578 0.000 -7.655) 8.919 ======================= Grid point 83 (31/128) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -13.260 0.000 -1.300) 13.323 1.971 ( -22.554 0.000 0.330) 22.556 2.306 ( 2.616 0.000 6.735) 7.225 2.521 ( -0.929 0.000 4.353) 4.451 2.680 ( 2.201 0.000 -7.492) 7.809 2.708 ( -3.544 0.000 -0.788) 3.631 2.822 ( 12.801 0.000 -5.187) 13.812 2.887 ( -3.820 0.000 -5.014) 6.303 3.092 ( -3.422 0.000 12.470) 12.931 3.184 ( 5.272 0.000 -12.086) 13.186 3.264 ( 3.812 0.000 -7.755) 8.641 3.510 ( -0.095 0.000 1.775) 1.778 3.633 ( -6.045 0.000 5.026) 7.861 3.764 ( 0.163 0.000 6.907) 6.909 3.791 ( -4.807 0.000 5.137) 7.035 3.870 ( 1.448 0.000 2.369) 2.777 3.985 ( -6.945 0.000 -2.477) 7.374 4.048 ( 3.087 0.000 0.683) 3.162 4.091 ( -1.838 0.000 0.300) 1.862 4.233 ( -4.627 0.000 0.355) 4.641 4.286 ( -5.640 0.000 -1.456) 5.825 4.433 ( 6.186 0.000 9.266) 11.141 4.462 ( 1.701 0.000 2.454) 2.985 4.505 ( -8.716 0.000 1.832) 8.906 4.675 ( -5.519 0.000 -3.116) 6.337 4.912 ( 0.340 0.000 -0.887) 0.950 4.937 ( -4.522 0.000 2.179) 5.020 5.057 ( 3.344 0.000 4.318) 5.461 5.167 ( 3.366 0.000 4.836) 5.892 5.468 ( -0.481 0.000 -2.890) 2.930 5.486 ( -4.502 0.000 -1.755) 4.832 5.598 ( 1.820 0.000 -2.897) 3.421 5.607 ( -3.069 0.000 -0.933) 3.208 5.681 ( 0.591 0.000 -0.436) 0.735 5.855 ( 2.388 0.000 3.424) 4.175 5.898 ( -1.247 0.000 -1.263) 1.775 6.020 ( 4.364 0.000 -4.623) 6.357 6.206 ( -2.149 0.000 -2.121) 3.020 6.398 ( 1.215 0.000 -1.264) 1.753 6.465 ( 14.683 0.000 -3.363) 15.064 6.535 ( 0.168 0.000 3.412) 3.416 6.646 ( -5.416 0.000 0.092) 5.417 6.660 ( 1.565 0.000 -7.269) 7.435 6.834 ( -2.434 0.000 -3.904) 4.601 6.933 ( -4.416 0.000 1.242) 4.587 7.132 ( -1.363 0.000 5.181) 5.358 7.211 ( 2.142 0.000 -1.628) 2.690 7.590 ( 17.758 0.000 -3.193) 18.043 7.717 ( 2.397 0.000 11.251) 11.503 8.187 ( -0.296 0.000 4.320) 4.330 8.223 ( -4.200 0.000 -5.629) 7.023 8.384 ( -1.074 0.000 -3.348) 3.516 8.539 ( -7.071 0.000 -4.684) 8.481 8.563 ( 6.519 0.000 0.775) 6.565 8.651 ( 2.847 0.000 2.185) 3.589 8.828 ( -1.976 0.000 -0.326) 2.003 11.026 ( -0.025 0.000 -3.171) 3.171 11.079 ( -0.419 0.000 -5.095) 5.112 11.263 ( 1.336 0.000 0.182) 1.348 11.299 ( -0.038 0.000 -0.893) 0.894 11.341 ( -4.478 0.000 1.425) 4.699 11.386 ( -2.188 0.000 2.276) 3.157 11.521 ( 1.543 0.000 -1.065) 1.875 11.526 ( 1.663 0.000 1.109) 1.998 11.717 ( 0.522 0.000 2.619) 2.671 11.789 ( 1.806 0.000 2.143) 2.802 11.815 ( -0.476 0.000 1.031) 1.136 12.081 ( -0.004 0.000 -4.664) 4.664 16.433 ( 1.001 0.000 1.058) 1.456 16.514 ( -0.014 0.000 -1.120) 1.120 16.613 ( 0.139 0.000 -0.157) 0.210 16.615 ( -0.100 0.000 -0.161) 0.190 23.464 ( -4.679 0.000 4.165) 6.264 23.606 ( -4.530 0.000 -1.355) 4.729 23.737 ( -0.657 0.000 9.648) 9.671 24.355 ( 5.399 0.000 7.960) 9.618 24.494 ( -3.392 0.000 -5.385) 6.364 24.701 ( -4.681 0.000 -5.326) 7.090 25.284 ( -0.097 0.000 21.865) 21.866 25.410 ( 9.502 0.000 1.646) 9.643 25.485 ( -9.147 0.000 -2.211) 9.410 25.737 ( 1.992 0.000 -16.150) 16.273 25.973 ( 8.910 0.000 2.608) 9.284 26.610 ( 0.854 0.000 -12.857) 12.885 ======================= Grid point 84 (32/128) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -22.344 0.000 -1.908) 22.425 1.522 ( -26.322 0.000 -1.339) 26.356 2.380 ( -19.879 0.000 2.089) 19.988 2.466 ( 6.499 0.000 8.454) 10.663 2.600 ( -3.021 0.000 -4.387) 5.327 2.674 ( 1.669 0.000 -1.271) 2.097 2.725 ( -7.243 0.000 -6.118) 9.481 3.008 ( 5.737 0.000 -4.336) 7.192 3.141 ( -0.046 0.000 -8.928) 8.928 3.187 ( 0.538 0.000 13.820) 13.830 3.273 ( 2.869 0.000 -2.170) 3.597 3.319 ( -15.033 0.000 -4.716) 15.756 3.534 ( -10.386 0.000 2.373) 10.653 3.614 ( -11.161 0.000 -2.167) 11.369 3.891 ( -5.178 0.000 1.550) 5.405 3.906 ( 0.876 0.000 5.729) 5.795 3.933 ( 0.032 0.000 -1.965) 1.965 3.952 ( 4.768 0.000 1.342) 4.953 4.145 ( -1.864 0.000 -2.147) 2.843 4.230 ( 8.216 0.000 5.670) 9.982 4.287 ( 2.670 0.000 2.886) 3.932 4.388 ( -5.215 0.000 -1.313) 5.378 4.490 ( 0.675 0.000 2.103) 2.209 4.616 ( 2.425 0.000 -1.274) 2.740 4.639 ( 1.965 0.000 9.465) 9.667 4.876 ( -4.065 0.000 1.730) 4.418 4.941 ( 5.594 0.000 0.743) 5.643 5.206 ( 5.572 0.000 6.960) 8.916 5.255 ( 1.872 0.000 3.518) 3.985 5.404 ( -1.804 0.000 -1.941) 2.650 5.426 ( 0.303 0.000 -4.643) 4.653 5.510 ( -4.682 0.000 -3.061) 5.594 5.641 ( 2.890 0.000 2.227) 3.649 5.703 ( 2.192 0.000 -0.224) 2.204 5.896 ( 1.735 0.000 -1.695) 2.426 5.956 ( 4.425 0.000 4.010) 5.971 6.055 ( 5.539 0.000 -6.736) 8.721 6.163 ( -1.216 0.000 -0.376) 1.273 6.342 ( -3.734 0.000 -2.723) 4.621 6.505 ( -5.649 0.000 -5.623) 7.970 6.531 ( -3.015 0.000 -3.539) 4.650 6.589 ( -1.643 0.000 -1.878) 2.495 6.618 ( -1.938 0.000 0.790) 2.093 6.867 ( 12.766 0.000 -4.441) 13.517 6.883 ( -4.255 0.000 3.152) 5.295 7.137 ( -3.252 0.000 3.137) 4.519 7.191 ( -2.617 0.000 -1.657) 3.098 7.747 ( 6.333 0.000 -1.252) 6.455 7.980 ( 13.180 0.000 1.191) 13.234 8.046 ( -7.599 0.000 -6.840) 10.224 8.251 ( 0.547 0.000 10.620) 10.634 8.326 ( -2.042 0.000 -4.906) 5.314 8.399 ( -3.158 0.000 -0.445) 3.189 8.685 ( 4.973 0.000 1.122) 5.098 8.803 ( 10.949 0.000 4.389) 11.796 8.816 ( -0.293 0.000 0.918) 0.964 10.998 ( -0.319 0.000 -1.781) 1.809 11.013 ( -1.766 0.000 -4.453) 4.791 11.224 ( -5.456 0.000 -0.237) 5.461 11.301 ( 2.707 0.000 -0.117) 2.709 11.339 ( 0.697 0.000 1.623) 1.767 11.366 ( -1.904 0.000 2.015) 2.772 11.533 ( 1.453 0.000 -1.794) 2.308 11.562 ( 1.121 0.000 1.053) 1.538 11.746 ( -0.537 0.000 3.008) 3.055 11.809 ( -0.857 0.000 0.296) 0.907 11.846 ( 2.371 0.000 1.150) 2.635 12.019 ( -1.167 0.000 -5.821) 5.937 16.468 ( 1.516 0.000 1.242) 1.959 16.507 ( 0.403 0.000 -1.091) 1.163 16.610 ( -0.215 0.000 -0.246) 0.327 16.611 ( -0.092 0.000 -0.294) 0.308 23.391 ( -7.747 0.000 4.080) 8.755 23.486 ( -7.219 0.000 -1.242) 7.325 23.779 ( -4.574 0.000 8.409) 9.573 24.341 ( -3.964 0.000 -9.804) 10.575 24.549 ( 6.424 0.000 6.260) 8.970 24.602 ( -2.242 0.000 -2.539) 3.387 25.304 ( -8.199 0.000 -0.728) 8.232 25.508 ( 2.331 0.000 -2.754) 3.608 25.526 ( -2.618 0.000 17.795) 17.987 25.606 ( 4.763 0.000 -8.744) 9.957 26.232 ( 14.107 0.000 6.556) 15.556 26.553 ( 7.296 0.000 -13.749) 15.565 ======================= Grid point 85 (33/128) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -26.485 0.000 3.289) 26.688 1.020 ( -27.894 0.000 -0.228) 27.895 1.867 ( -42.720 0.000 12.125) 44.407 2.499 ( -7.631 0.000 -9.800) 12.421 2.536 ( 0.910 0.000 -3.128) 3.257 2.655 ( 4.627 0.000 4.872) 6.719 2.717 ( 0.880 0.000 3.191) 3.311 2.925 ( -8.784 0.000 -9.701) 13.087 2.933 ( -6.544 0.000 -4.940) 8.200 3.168 ( 0.349 0.000 -5.614) 5.625 3.170 ( -11.874 0.000 5.130) 12.935 3.325 ( -6.297 0.000 3.270) 7.096 3.365 ( -12.402 0.000 -2.432) 12.638 3.463 ( 8.487 0.000 3.137) 9.048 3.850 ( 1.410 0.000 0.038) 1.410 3.862 ( -3.894 0.000 -2.967) 4.896 4.039 ( 7.032 0.000 3.345) 7.787 4.072 ( -3.511 0.000 2.815) 4.500 4.108 ( 3.405 0.000 5.076) 6.112 4.313 ( -1.314 0.000 -1.602) 2.072 4.332 ( 4.771 0.000 -5.130) 7.006 4.497 ( -3.146 0.000 3.580) 4.766 4.524 ( 14.124 0.000 2.674) 14.375 4.679 ( 3.330 0.000 1.030) 3.486 4.731 ( 2.009 0.000 5.527) 5.881 4.837 ( -2.676 0.000 4.029) 4.836 5.065 ( 7.196 0.000 -4.843) 8.674 5.299 ( 0.927 0.000 1.246) 1.553 5.318 ( -1.027 0.000 -0.438) 1.116 5.389 ( -0.855 0.000 2.259) 2.416 5.400 ( 1.597 0.000 0.984) 1.876 5.477 ( 5.251 0.000 0.862) 5.322 5.749 ( 3.337 0.000 -1.180) 3.540 5.750 ( 3.350 0.000 9.383) 9.963 5.901 ( 0.527 0.000 -2.166) 2.230 6.066 ( 2.950 0.000 -8.235) 8.748 6.076 ( 4.726 0.000 1.749) 5.039 6.157 ( -0.786 0.000 2.645) 2.759 6.242 ( -2.939 0.000 -3.398) 4.493 6.335 ( -6.287 0.000 -6.026) 8.709 6.387 ( -4.119 0.000 -6.472) 7.671 6.568 ( -3.337 0.000 3.606) 4.913 6.570 ( -1.698 0.000 1.942) 2.580 6.823 ( -5.632 0.000 2.297) 6.083 7.034 ( 3.077 0.000 -6.074) 6.809 7.082 ( 0.620 0.000 2.334) 2.415 7.094 ( -6.162 0.000 -1.269) 6.292 7.844 ( 5.849 0.000 -1.119) 5.955 7.867 ( -5.955 0.000 -2.994) 6.665 8.110 ( 4.443 0.000 -4.148) 6.078 8.263 ( 0.459 0.000 -3.436) 3.467 8.384 ( -0.008 0.000 1.014) 1.014 8.410 ( 4.016 0.000 8.067) 9.011 8.801 ( 6.259 0.000 3.039) 6.958 8.818 ( -1.041 0.000 1.312) 1.675 9.064 ( 11.253 0.000 4.912) 12.278 10.930 ( -3.171 0.000 -2.946) 4.328 10.982 ( -0.439 0.000 -0.328) 0.548 11.128 ( -4.872 0.000 -0.133) 4.874 11.349 ( 2.608 0.000 -0.734) 2.709 11.375 ( 1.218 0.000 1.947) 2.297 11.379 ( 1.178 0.000 3.399) 3.598 11.540 ( 1.346 0.000 -1.761) 2.216 11.588 ( 0.883 0.000 0.731) 1.146 11.752 ( -1.869 0.000 2.580) 3.186 11.794 ( -0.764 0.000 -0.151) 0.779 11.887 ( 1.621 0.000 -0.069) 1.623 11.933 ( -1.394 0.000 -6.386) 6.536 16.507 ( 1.426 0.000 1.135) 1.822 16.508 ( 0.684 0.000 -0.853) 1.094 16.603 ( -0.262 0.000 -0.290) 0.391 16.605 ( -0.209 0.000 -0.279) 0.348 23.274 ( -8.766 0.000 3.035) 9.277 23.337 ( -7.590 0.000 -1.038) 7.661 23.743 ( -6.205 0.000 4.741) 7.809 24.117 ( -5.381 0.000 -23.729) 24.331 24.560 ( -1.043 0.000 -0.501) 1.157 24.703 ( 4.764 0.000 3.556) 5.945 25.187 ( -5.093 0.000 1.255) 5.245 25.257 ( -4.103 0.000 -36.404) 36.635 25.482 ( 0.011 0.000 -4.806) 4.806 26.051 ( 7.206 0.000 58.095) 58.540 26.560 ( 14.229 0.000 5.348) 15.201 26.585 ( 8.962 0.000 -10.681) 13.943 ======================= Grid point 86 (34/128) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -23.293 0.000 13.135) 26.742 0.628 ( -23.287 0.000 17.622) 29.203 1.211 ( -47.288 0.000 28.538) 55.232 2.312 ( -3.520 0.000 -4.116) 5.416 2.565 ( 4.456 0.000 -1.325) 4.648 2.664 ( -4.563 0.000 -4.321) 6.284 2.713 ( -2.795 0.000 -11.792) 12.119 2.760 ( -5.338 0.000 -2.773) 6.015 2.775 ( 1.545 0.000 4.494) 4.752 3.006 ( -10.361 0.000 5.847) 11.897 3.098 ( -5.596 0.000 -0.050) 5.597 3.211 ( -0.717 0.000 -3.155) 3.235 3.280 ( -2.055 0.000 2.674) 3.373 3.649 ( 4.775 0.000 3.755) 6.074 3.764 ( -2.344 0.000 -4.264) 4.865 3.885 ( 4.687 0.000 -7.233) 8.619 4.014 ( -2.992 0.000 0.873) 3.117 4.143 ( 0.988 0.000 -6.086) 6.166 4.214 ( 2.413 0.000 4.186) 4.832 4.225 ( -2.280 0.000 -0.714) 2.389 4.416 ( 7.067 0.000 -1.575) 7.240 4.488 ( -2.004 0.000 6.321) 6.631 4.679 ( 1.094 0.000 -0.915) 1.426 4.758 ( 5.818 0.000 0.072) 5.819 4.788 ( -3.009 0.000 5.993) 6.706 4.940 ( 6.443 0.000 13.527) 14.983 5.126 ( 8.051 0.000 -9.385) 12.365 5.256 ( 1.791 0.000 -8.649) 8.832 5.343 ( 2.005 0.000 1.561) 2.541 5.423 ( 1.497 0.000 4.251) 4.507 5.454 ( 2.057 0.000 3.000) 3.637 5.593 ( 0.302 0.000 3.934) 3.946 5.813 ( 4.709 0.000 2.152) 5.178 5.868 ( -1.802 0.000 -1.917) 2.631 5.908 ( -4.732 0.000 -5.889) 7.554 5.984 ( 6.433 0.000 9.654) 11.601 6.140 ( -4.023 0.000 -3.448) 5.299 6.184 ( -1.042 0.000 -4.982) 5.090 6.197 ( 6.069 0.000 1.743) 6.314 6.219 ( -1.343 0.000 5.821) 5.974 6.349 ( 5.828 0.000 -1.333) 5.979 6.601 ( 3.741 0.000 8.187) 9.002 6.626 ( 2.835 0.000 10.219) 10.605 6.721 ( -7.403 0.000 2.318) 7.758 6.908 ( -7.302 0.000 -0.839) 7.350 6.963 ( -6.367 0.000 -1.210) 6.481 7.175 ( 5.502 0.000 -2.518) 6.051 7.781 ( -2.644 0.000 0.385) 2.671 7.935 ( 5.106 0.000 -0.738) 5.159 8.107 ( -0.758 0.000 -3.773) 3.848 8.268 ( 2.503 0.000 -2.190) 3.326 8.403 ( 0.443 0.000 1.576) 1.637 8.491 ( 0.821 0.000 0.405) 0.916 8.796 ( -2.357 0.000 0.545) 2.419 8.941 ( 6.090 0.000 -1.795) 6.349 9.187 ( -1.970 0.000 -10.350) 10.536 10.861 ( -1.936 0.000 -0.905) 2.137 10.959 ( -1.824 0.000 -1.434) 2.320 11.059 ( -3.305 0.000 2.752) 4.301 11.377 ( 1.104 0.000 -0.543) 1.230 11.433 ( 2.803 0.000 1.058) 2.996 11.450 ( 2.160 0.000 3.136) 3.808 11.554 ( 1.965 0.000 -1.183) 2.294 11.607 ( 0.354 0.000 0.530) 0.638 11.729 ( -3.090 0.000 2.000) 3.681 11.787 ( 0.476 0.000 0.020) 0.477 11.882 ( 1.641 0.000 -1.102) 1.976 11.907 ( 1.104 0.000 -0.482) 1.204 16.514 ( 0.685 0.000 -0.476) 0.834 16.535 ( 0.549 0.000 0.534) 0.766 16.597 ( -0.083 0.000 -0.042) 0.093 16.601 ( -0.047 0.000 -0.025) 0.054 23.150 ( -6.851 0.000 1.095) 6.938 23.218 ( -4.524 0.000 -0.152) 4.527 23.430 ( -36.354 0.000 -51.915) 63.378 23.663 ( -5.249 0.000 0.740) 5.301 24.546 ( -0.476 0.000 0.247) 0.536 24.714 ( -7.084 0.000 -12.498) 14.366 24.848 ( -5.305 0.000 -1.234) 5.447 25.150 ( -2.181 0.000 4.401) 4.912 25.445 ( 1.340 0.000 -4.551) 4.744 26.607 ( 6.289 0.000 -13.096) 14.527 26.841 ( 8.805 0.000 7.645) 11.661 27.068 ( 40.028 0.000 57.111) 69.742 ======================= Grid point 87 (35/128) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -4.212 16.050 18.219) 24.643 0.844 ( -3.996 20.068 19.224) 28.076 1.452 ( -2.697 31.231 32.099) 44.866 2.268 ( 5.646 -6.350 3.851) 9.329 2.505 ( -1.498 -2.802 -7.043) 7.726 2.558 ( 1.311 -3.352 -3.472) 5.001 2.656 ( -0.828 -0.731 -4.432) 4.568 2.741 ( 3.294 -8.479 2.025) 9.319 2.803 ( 2.671 3.405 -5.267) 6.817 2.898 ( -2.174 1.247 0.632) 2.585 3.081 ( -0.919 7.769 5.671) 9.663 3.219 ( 2.557 0.408 -4.309) 5.027 3.422 ( -0.140 4.605 -1.877) 4.975 3.520 ( -9.149 -1.781 -8.593) 12.677 3.657 ( 1.377 -1.058 -3.871) 4.242 3.897 ( 2.534 -1.098 -4.824) 5.559 4.005 ( 3.943 0.498 -9.406) 10.211 4.079 ( -2.869 0.588 -7.252) 7.821 4.169 ( -4.136 -4.795 2.765) 6.910 4.233 ( 0.578 0.624 4.359) 4.441 4.406 ( -2.468 -7.479 0.188) 7.878 4.497 ( -0.315 -4.374 2.822) 5.215 4.659 ( -0.180 3.009 0.603) 3.074 4.697 ( -1.517 -4.228 4.741) 6.531 4.891 ( 2.078 0.416 -1.341) 2.508 4.944 ( -2.113 -6.060 -1.585) 6.610 5.075 ( -0.600 -3.231 -1.649) 3.676 5.214 ( 1.716 -5.584 -1.384) 6.003 5.294 ( -2.124 -2.842 -1.129) 3.723 5.442 ( 0.652 -4.018 4.554) 6.108 5.533 ( 9.041 -3.236 0.096) 9.603 5.616 ( -1.752 -4.929 4.576) 6.950 5.652 ( 0.325 1.344 5.518) 5.688 5.888 ( -2.175 1.780 -2.845) 3.999 5.993 ( -3.580 0.091 3.596) 5.075 6.026 ( 1.873 3.358 1.451) 4.110 6.158 ( -0.093 0.518 1.589) 1.674 6.165 ( 2.047 2.824 -5.488) 6.503 6.196 ( 2.409 0.037 2.739) 3.648 6.350 ( 0.748 4.302 -1.225) 4.535 6.483 ( -3.391 0.060 3.672) 4.999 6.644 ( -6.371 3.812 3.458) 8.190 6.716 ( 1.619 -0.399 3.808) 4.157 6.869 ( 2.120 3.325 4.478) 5.967 6.940 ( 1.231 6.274 3.016) 7.070 7.210 ( 6.910 -1.848 -1.587) 7.327 7.234 ( 6.118 1.477 -1.109) 6.391 7.776 ( -5.503 2.304 -1.110) 6.069 7.935 ( -7.752 0.937 -2.256) 8.127 8.017 ( -3.012 3.626 -1.377) 4.911 8.234 ( 4.758 -7.061 4.042) 9.426 8.314 ( 0.251 -3.983 0.814) 4.073 8.529 ( -0.722 4.409 -2.504) 5.122 8.674 ( -2.650 -3.598 -6.965) 8.275 8.741 ( -0.855 -0.851 -8.587) 8.671 9.036 ( 3.218 -1.766 -9.345) 10.040 10.879 ( 1.025 2.224 0.867) 2.598 10.968 ( 0.578 2.899 -0.271) 2.968 11.114 ( -0.690 4.263 4.859) 6.501 11.344 ( -1.139 -2.216 0.260) 2.505 11.430 ( 0.186 0.497 1.303) 1.407 11.486 ( -2.563 -1.398 2.502) 3.845 11.570 ( -0.820 -2.699 -0.267) 2.834 11.636 ( 1.292 1.290 0.330) 1.856 11.676 ( -1.614 -0.986 -0.742) 2.032 11.742 ( 1.568 -3.509 0.102) 3.845 11.945 ( -0.597 2.726 0.729) 2.884 11.976 ( 0.741 2.953 0.346) 3.064 16.520 ( 0.311 0.083 0.016) 0.323 16.547 ( -0.731 0.871 -0.489) 1.238 16.596 ( 0.644 -0.346 0.439) 0.853 16.611 ( -0.087 0.225 0.087) 0.256 22.889 ( 10.189 0.588 2.684) 10.553 23.149 ( 0.241 4.494 -3.682) 5.815 23.181 ( 1.685 -2.369 2.777) 4.020 23.560 ( -3.349 -2.578 -2.270) 4.798 24.490 ( -0.507 2.464 1.466) 2.912 24.803 ( -2.259 0.533 1.104) 2.571 24.964 ( 1.747 15.642 -13.774) 20.915 25.195 ( -0.169 0.382 5.054) 5.071 25.487 ( 3.173 5.183 -3.169) 6.854 26.444 ( -0.406 -8.070 -10.643) 13.363 27.001 ( 1.239 -0.815 8.569) 8.696 27.365 ( -9.991 -12.984 8.913) 18.651 ======================= Grid point 88 (36/128) ======================= q-point: ( 0.10 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 9.399 5.027 22.207) 24.632 1.079 ( 8.697 14.852 18.317) 25.134 1.938 ( 18.894 23.371 27.957) 41.046 2.412 ( 3.922 -5.645 -3.737) 7.824 2.439 ( 3.523 -3.196 -7.454) 8.843 2.582 ( 0.746 -6.833 -2.754) 7.405 2.621 ( 4.094 -0.944 -3.211) 5.288 2.828 ( 4.605 0.237 -0.625) 4.653 2.860 ( 5.967 -1.517 -0.750) 6.203 2.924 ( 7.956 -4.343 -1.591) 9.203 3.121 ( -2.023 4.078 4.866) 6.663 3.216 ( 4.478 -1.212 -6.393) 7.899 3.280 ( -0.351 1.641 -3.825) 4.177 3.503 ( 5.562 3.234 -1.009) 6.513 3.646 ( 0.188 2.345 -3.866) 4.525 3.863 ( 1.005 -2.361 -5.752) 6.298 3.936 ( -5.033 -2.879 -6.969) 9.066 3.976 ( 2.209 3.397 -6.677) 7.810 4.093 ( -3.843 -8.392 -1.422) 9.339 4.290 ( -1.416 5.097 6.472) 8.359 4.335 ( -3.894 -4.050 -0.772) 5.671 4.522 ( -1.297 -2.458 3.632) 4.573 4.600 ( -3.388 2.095 -2.899) 4.927 4.697 ( -3.867 0.192 2.504) 4.611 4.793 ( -4.483 -3.884 -8.858) 10.661 4.889 ( -5.470 -1.256 3.093) 6.408 5.037 ( -3.665 1.437 -1.222) 4.122 5.187 ( -3.046 -7.184 -0.082) 7.804 5.215 ( -3.168 -4.113 -1.123) 5.312 5.496 ( 0.545 -3.041 5.192) 6.042 5.588 ( -2.084 -4.269 2.188) 5.230 5.664 ( -2.804 -1.419 3.468) 4.680 5.742 ( 1.621 0.623 4.552) 4.872 5.872 ( 4.174 3.201 -1.434) 5.452 5.961 ( -0.898 1.606 0.640) 1.948 6.024 ( -3.206 2.915 -2.127) 4.827 6.177 ( 4.106 3.471 0.610) 5.411 6.185 ( 0.464 0.105 2.132) 2.185 6.306 ( 5.131 -0.542 2.208) 5.613 6.368 ( 2.783 3.313 1.759) 4.670 6.443 ( -4.639 -0.997 3.284) 5.771 6.604 ( -2.065 2.998 3.995) 5.405 6.700 ( -3.675 -0.034 1.703) 4.050 6.866 ( -0.559 2.734 -2.150) 3.522 7.049 ( 2.218 6.894 1.499) 7.395 7.149 ( -10.128 4.458 2.154) 11.273 7.350 ( 2.970 -3.619 8.326) 9.552 7.697 ( 5.507 -2.085 -10.117) 11.706 7.904 ( -0.078 1.424 -0.890) 1.681 7.977 ( 2.231 3.076 0.272) 3.810 8.280 ( -1.526 -1.538 -1.606) 2.697 8.357 ( 1.752 -3.877 2.371) 4.870 8.423 ( -3.944 3.863 -4.638) 7.211 8.631 ( 0.490 -6.127 -1.573) 6.345 8.712 ( 1.724 -4.216 -2.751) 5.321 8.951 ( -2.095 -3.465 -9.511) 10.337 10.944 ( 4.252 1.479 1.740) 4.827 10.991 ( 2.791 2.739 -1.921) 4.357 11.157 ( 0.468 4.492 4.386) 6.296 11.335 ( -0.221 -0.802 0.005) 0.832 11.421 ( -2.738 1.403 2.369) 3.883 11.469 ( -2.281 -1.228 2.162) 3.374 11.544 ( -1.489 -2.996 -0.181) 3.351 11.632 ( -1.754 -0.591 1.438) 2.344 11.667 ( 1.623 1.914 -2.616) 3.625 11.768 ( 0.504 -1.070 0.579) 1.317 11.929 ( -0.234 2.015 -0.014) 2.029 11.986 ( 0.055 2.828 0.098) 2.830 16.511 ( -1.366 0.393 -0.392) 1.475 16.534 ( 0.020 0.394 0.069) 0.401 16.607 ( -0.275 -0.111 0.097) 0.312 16.613 ( 0.508 0.052 0.476) 0.698 23.039 ( 3.603 -0.773 -2.035) 4.209 23.248 ( 7.796 -0.761 -0.265) 7.837 23.413 ( 22.552 -9.612 -3.386) 24.747 23.503 ( 1.284 -2.230 -4.830) 5.473 24.493 ( -0.984 2.254 2.151) 3.267 24.743 ( -2.515 5.066 -2.609) 6.229 24.931 ( 3.015 9.048 -3.978) 10.334 25.252 ( 0.281 -2.989 5.490) 6.257 25.544 ( 4.567 5.926 -0.100) 7.483 26.271 ( -5.300 -5.551 -13.340) 15.390 27.029 ( -13.663 -2.005 11.332) 17.864 27.112 ( -15.428 -0.239 7.934) 17.350 ======================= Grid point 89 (37/128) ======================= q-point: ( 0.20 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 12.021 -0.392 19.015) 22.499 1.452 ( 13.606 7.498 14.689) 21.380 2.263 ( -6.810 -3.708 -9.489) 12.254 2.381 ( 3.342 1.800 0.517) 3.831 2.506 ( 5.139 -3.991 -11.781) 13.459 2.633 ( 17.562 11.673 8.418) 22.706 2.724 ( 5.945 -7.255 0.707) 9.407 2.912 ( 5.596 0.386 -1.617) 5.838 2.938 ( 3.507 1.081 1.341) 3.907 3.101 ( 6.313 -8.158 0.406) 10.323 3.206 ( 8.674 4.120 5.225) 10.932 3.311 ( 10.300 -2.238 -4.841) 11.598 3.363 ( 7.161 -1.797 3.016) 7.975 3.535 ( -5.988 4.482 -5.870) 9.508 3.582 ( 2.869 -2.719 -1.183) 4.127 3.804 ( -1.498 -2.097 -2.570) 3.640 3.895 ( 5.995 -1.592 -3.658) 7.201 3.975 ( 0.804 -0.427 -1.765) 1.986 4.047 ( 3.212 -4.762 0.055) 5.744 4.260 ( -3.070 4.660 -1.850) 5.879 4.330 ( 0.970 4.451 3.415) 5.693 4.465 ( -5.051 5.184 0.670) 7.269 4.523 ( -7.521 -2.818 1.842) 8.240 4.617 ( -6.055 2.188 0.868) 6.496 4.637 ( -2.750 0.922 -6.855) 7.443 4.777 ( -5.610 0.430 -1.224) 5.758 4.981 ( -2.039 1.790 1.194) 2.964 5.142 ( -2.517 -8.326 2.179) 8.967 5.162 ( -3.542 -6.075 1.229) 7.139 5.523 ( -4.079 -2.826 -2.352) 5.491 5.553 ( -2.710 -3.194 5.815) 7.166 5.626 ( -1.501 -0.706 3.416) 3.798 5.780 ( -1.164 3.497 3.475) 5.066 5.900 ( -1.828 7.050 -6.022) 9.450 5.921 ( -1.623 3.085 0.490) 3.520 5.995 ( 0.725 0.807 2.484) 2.711 6.203 ( 1.001 0.127 -0.999) 1.420 6.270 ( 3.878 0.821 0.877) 4.059 6.364 ( -2.068 -0.370 0.214) 2.111 6.398 ( 3.183 -0.459 -2.531) 4.092 6.499 ( 2.920 1.240 8.446) 9.022 6.625 ( -0.073 -0.846 0.402) 0.940 6.669 ( -1.951 -1.349 3.753) 4.439 6.810 ( -3.479 2.179 1.113) 4.253 7.036 ( -1.305 8.155 -3.731) 9.063 7.065 ( 1.495 3.960 -4.322) 6.049 7.393 ( -7.212 -1.251 8.010) 10.851 7.662 ( 1.801 -2.576 -14.320) 14.661 7.834 ( -4.937 0.639 0.331) 4.989 8.152 ( 6.775 -1.870 5.428) 8.880 8.233 ( -1.988 -2.008 -2.394) 3.704 8.319 ( 3.237 1.354 0.639) 3.566 8.438 ( 1.003 -0.872 3.584) 3.823 8.621 ( 0.376 -7.060 -1.757) 7.285 8.691 ( -1.846 -2.677 -3.186) 4.552 8.816 ( -4.032 -4.069 -3.971) 6.970 11.024 ( 3.596 2.490 -2.688) 5.134 11.048 ( 4.646 0.634 1.748) 5.004 11.212 ( 1.823 4.126 2.402) 5.110 11.329 ( -0.447 1.262 -0.215) 1.356 11.399 ( -2.009 0.865 2.350) 3.210 11.441 ( -3.219 -0.607 2.875) 4.359 11.520 ( -1.068 -1.853 0.294) 2.159 11.614 ( -1.529 1.312 -0.036) 2.015 11.661 ( 0.312 0.498 -1.611) 1.715 11.781 ( 0.667 0.082 0.590) 0.894 11.908 ( -3.393 1.859 -0.301) 3.881 12.002 ( 3.260 0.638 -1.647) 3.707 16.478 ( -1.723 0.580 -0.399) 1.861 16.539 ( 0.110 0.295 0.416) 0.521 16.600 ( -0.426 -0.593 -0.128) 0.741 16.624 ( 0.267 0.198 0.221) 0.399 23.097 ( 6.049 -1.489 -2.993) 6.911 23.359 ( 3.898 -3.852 -0.836) 5.544 23.535 ( 7.249 2.290 -2.187) 7.910 23.725 ( 16.826 -11.438 -7.329) 21.625 24.500 ( -0.903 0.606 2.935) 3.130 24.690 ( -1.562 2.291 -0.021) 2.772 24.965 ( 3.511 6.428 -1.764) 7.534 25.295 ( -0.447 -5.905 2.566) 6.454 25.633 ( 4.030 7.999 1.529) 9.086 26.028 ( -6.312 -2.507 -12.683) 14.387 26.749 ( -21.110 4.351 9.048) 23.376 27.047 ( -7.934 -3.009 8.901) 12.297 ======================= Grid point 90 (38/128) ======================= q-point: ( 0.30 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 7.634 -1.398 12.818) 14.984 1.824 ( 13.552 0.889 10.462) 17.144 2.073 ( -1.601 -0.945 -7.766) 7.985 2.437 ( 4.368 -3.126 -0.807) 5.432 2.463 ( 4.670 -5.101 -10.707) 12.746 2.763 ( 2.117 -4.367 -4.640) 6.715 2.915 ( -0.453 -0.145 3.229) 3.264 2.975 ( 1.524 1.832 -0.994) 2.581 3.015 ( 4.472 -0.009 3.225) 5.514 3.157 ( 2.697 -4.330 -3.631) 6.262 3.317 ( -3.267 0.306 2.149) 3.923 3.388 ( -1.336 2.041 -1.900) 3.092 3.481 ( 8.387 -4.763 0.076) 9.645 3.547 ( 7.186 2.113 2.305) 7.836 3.686 ( 9.363 0.696 1.943) 9.588 3.854 ( 6.221 -3.827 2.434) 7.699 3.948 ( 2.441 0.634 -3.412) 4.243 3.960 ( 2.116 -4.791 0.374) 5.250 4.167 ( -5.135 6.003 -0.908) 7.952 4.185 ( 1.774 -3.105 -0.776) 3.659 4.322 ( -0.278 4.131 -0.828) 4.222 4.434 ( -1.590 -1.580 2.147) 3.104 4.476 ( -0.357 12.034 9.670) 15.442 4.528 ( -3.145 3.819 -0.367) 4.961 4.582 ( 5.738 2.846 -3.764) 7.429 4.734 ( 4.081 2.984 -4.751) 6.937 4.952 ( -3.602 -1.701 1.476) 4.248 5.099 ( -5.395 -6.499 2.874) 8.922 5.163 ( 1.059 -5.044 4.871) 7.091 5.418 ( -3.514 -4.311 -2.409) 6.062 5.524 ( -5.075 -2.770 3.846) 6.944 5.673 ( 2.125 2.635 0.573) 3.433 5.778 ( -3.596 5.974 2.263) 7.331 5.796 ( 0.101 2.434 -4.567) 5.177 5.914 ( -1.288 6.277 2.223) 6.782 6.015 ( -1.727 -0.208 3.080) 3.537 6.204 ( 0.245 -0.861 -2.758) 2.900 6.265 ( -0.358 1.436 -5.105) 5.315 6.346 ( -1.423 1.821 1.838) 2.953 6.437 ( 3.466 -0.708 -4.007) 5.345 6.567 ( -4.295 0.286 1.576) 4.584 6.584 ( -0.591 0.388 1.586) 1.737 6.691 ( 1.112 -3.479 -0.953) 3.774 6.813 ( 1.274 -0.937 2.084) 2.617 6.988 ( -0.989 5.912 1.546) 6.190 7.074 ( 5.055 1.643 -6.969) 8.765 7.286 ( -10.052 -0.036 4.488) 11.008 7.486 ( -6.901 -1.822 -10.686) 12.851 7.754 ( -4.630 1.275 1.046) 4.915 8.158 ( -3.004 -1.532 -0.801) 3.466 8.225 ( 2.928 -2.401 -0.941) 3.901 8.460 ( -1.677 -1.323 0.791) 2.278 8.519 ( 5.058 -5.632 5.013) 9.079 8.611 ( -2.171 0.464 -1.651) 2.766 8.652 ( 4.375 -4.673 3.689) 7.388 8.750 ( -0.948 -2.723 -1.120) 3.094 11.057 ( 2.772 1.739 -2.461) 4.094 11.134 ( 3.407 0.121 0.107) 3.411 11.260 ( 1.845 2.614 0.145) 3.202 11.318 ( -0.661 2.484 0.149) 2.575 11.396 ( -0.394 0.532 1.427) 1.573 11.420 ( -2.558 0.453 3.758) 4.569 11.511 ( -0.586 -0.343 0.470) 0.826 11.570 ( -1.927 3.003 -1.475) 3.861 11.661 ( 0.377 -2.057 0.255) 2.107 11.796 ( -1.067 1.906 -0.139) 2.189 11.820 ( -3.208 1.686 -0.593) 3.672 12.051 ( 3.930 -0.696 -2.459) 4.688 16.446 ( -1.437 0.774 -0.128) 1.638 16.545 ( 0.057 0.451 0.418) 0.618 16.590 ( -0.380 -1.202 -0.338) 1.306 16.627 ( 0.042 0.226 -0.087) 0.245 23.197 ( 7.217 -3.853 -1.379) 8.296 23.390 ( 2.102 -5.296 -1.908) 6.009 23.680 ( 8.341 5.401 0.284) 9.941 23.895 ( 9.135 -8.469 -4.062) 13.103 24.518 ( -0.576 -2.036 3.263) 3.888 24.691 ( 0.307 -3.838 2.440) 4.559 25.018 ( 3.403 5.361 -0.031) 6.349 25.260 ( -3.564 -5.634 -2.924) 7.280 25.699 ( 1.496 9.817 1.143) 9.995 25.855 ( -0.471 0.225 -7.995) 8.012 26.474 ( -17.138 6.191 4.824) 18.850 26.970 ( -8.559 -4.048 5.780) 11.093 ======================= Grid point 91 (39/128) ======================= q-point: ( 0.40 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 0.706 0.238 5.385) 5.437 2.055 ( 7.354 -4.316 -3.360) 9.165 2.151 ( 9.063 -0.616 7.670) 11.888 2.467 ( 1.437 -1.928 -3.037) 3.873 2.533 ( 4.202 -4.524 3.021) 6.874 2.682 ( -5.027 -5.060 -5.200) 8.827 2.844 ( -2.310 -2.706 -1.359) 3.808 2.966 ( -1.836 -4.832 -0.893) 5.245 3.075 ( 1.726 3.357 -1.137) 3.942 3.190 ( 1.929 -0.977 0.860) 2.327 3.316 ( 2.685 2.096 -5.605) 6.559 3.374 ( 0.822 -2.718 4.978) 5.731 3.578 ( 3.162 -3.985 1.068) 5.198 3.696 ( 1.077 2.191 -0.875) 2.593 3.716 ( -0.136 -0.110 5.807) 5.810 3.895 ( -7.394 -5.283 0.754) 9.119 3.937 ( 1.620 -0.758 -2.994) 3.488 4.073 ( -3.901 1.826 -3.597) 5.612 4.101 ( 7.839 4.345 3.530) 9.633 4.180 ( 4.706 4.311 0.510) 6.402 4.346 ( 0.264 -0.758 -0.268) 0.847 4.402 ( -4.775 0.201 2.593) 5.437 4.524 ( 3.257 0.810 -2.486) 4.176 4.630 ( 7.289 8.481 5.566) 12.492 4.740 ( 6.960 3.786 6.238) 10.084 4.808 ( 2.851 -0.780 -1.042) 3.134 4.885 ( 0.137 2.829 -3.213) 4.283 5.041 ( -3.784 -5.223 2.562) 6.940 5.226 ( -0.343 1.288 3.076) 3.352 5.383 ( 1.678 -5.198 -0.729) 5.511 5.452 ( -4.879 -5.287 0.829) 7.242 5.645 ( -2.011 2.902 -2.853) 4.539 5.767 ( -1.528 4.641 4.055) 6.349 5.805 ( 3.096 4.395 -2.502) 5.930 5.914 ( -1.609 6.640 1.522) 7.000 6.001 ( -2.002 -0.483 1.521) 2.560 6.128 ( -3.753 4.323 -1.898) 6.031 6.245 ( 2.989 0.625 -8.626) 9.151 6.307 ( -1.736 1.089 -1.291) 2.422 6.436 ( -2.122 -0.665 2.121) 3.073 6.493 ( -5.094 0.625 1.449) 5.332 6.583 ( 6.215 -0.356 -7.781) 9.965 6.699 ( 0.609 -3.088 0.084) 3.149 6.869 ( 2.403 -3.948 1.060) 4.742 7.035 ( 2.153 0.827 4.235) 4.822 7.101 ( 4.500 1.009 -5.596) 7.252 7.166 ( -5.660 0.951 2.284) 6.177 7.249 ( -10.395 -2.577 -2.916) 11.099 7.696 ( -3.763 2.690 3.047) 5.539 8.120 ( -0.901 -2.727 0.308) 2.889 8.269 ( 3.254 -1.689 -1.755) 4.065 8.410 ( -2.586 -3.359 -0.946) 4.344 8.545 ( -1.256 -3.898 -0.563) 4.134 8.591 ( -1.074 1.162 1.420) 2.126 8.713 ( 0.290 0.923 -1.134) 1.491 8.817 ( 2.906 -6.517 3.994) 8.178 11.073 ( 1.631 1.165 -2.477) 3.187 11.165 ( 1.213 0.646 -1.949) 2.384 11.281 ( 1.118 0.947 -1.258) 1.931 11.304 ( -0.677 2.655 -0.595) 2.804 11.405 ( -1.861 0.386 3.420) 3.913 11.431 ( 1.195 1.175 1.781) 2.446 11.489 ( -2.444 0.677 0.276) 2.551 11.542 ( 0.265 3.329 -1.008) 3.489 11.670 ( -0.156 -1.550 0.391) 1.606 11.731 ( -1.840 1.212 0.198) 2.212 11.824 ( 0.299 1.903 0.711) 2.054 12.087 ( 2.849 -1.249 -2.962) 4.296 16.426 ( -0.759 0.949 0.239) 1.238 16.546 ( -0.216 0.789 -0.097) 0.824 16.583 ( -0.033 -1.777 -0.199) 1.788 16.626 ( 0.027 0.136 -0.238) 0.276 23.320 ( 6.158 -6.595 1.285) 9.114 23.408 ( 0.776 -5.643 0.121) 5.698 23.801 ( 4.604 6.451 -0.526) 7.943 24.009 ( 5.017 -5.478 2.936) 7.988 24.533 ( -1.077 -4.347 2.075) 4.936 24.728 ( 0.082 -11.264 2.117) 11.461 25.089 ( 2.821 3.990 1.852) 5.225 25.161 ( -1.776 1.309 -0.969) 2.410 25.720 ( 1.455 7.728 -1.529) 8.011 25.831 ( 2.865 2.781 -4.668) 6.142 26.225 ( -12.848 7.758 -0.150) 15.009 26.853 ( -7.326 -4.426 -0.467) 8.571 ======================= Grid point 92 (40/128) ======================= q-point: (-0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -5.498 -1.136 2.767) 6.259 2.182 ( 5.204 -0.557 4.123) 6.663 2.303 ( -4.138 -4.143 3.384) 6.763 2.437 ( -0.060 0.320 3.734) 3.748 2.529 ( -1.668 -1.311 -3.944) 4.478 2.635 ( 4.080 -3.972 -1.549) 5.901 2.840 ( 1.168 -5.838 -1.616) 6.169 2.944 ( 0.896 -5.806 0.903) 5.944 3.106 ( 1.081 5.016 0.955) 5.219 3.209 ( 1.069 2.066 -1.283) 2.657 3.297 ( 1.542 1.837 -8.116) 8.463 3.403 ( -1.555 -2.499 2.854) 4.100 3.635 ( -1.543 -1.204 2.968) 3.555 3.703 ( 5.206 -4.084 4.319) 7.901 3.775 ( -1.718 3.419 3.687) 5.314 3.830 ( -2.138 -2.904 2.116) 4.181 3.943 ( 1.981 -0.809 -0.480) 2.193 4.018 ( 0.885 0.529 0.969) 1.415 4.194 ( -2.318 3.264 -2.475) 4.706 4.259 ( 3.701 3.931 3.145) 6.248 4.302 ( -3.593 -1.343 0.464) 3.864 4.373 ( 0.098 -1.090 -0.951) 1.450 4.525 ( 0.418 1.098 -4.491) 4.643 4.685 ( -7.778 -2.445 -1.377) 8.269 4.746 ( -4.262 2.814 4.306) 6.680 4.905 ( 4.605 -0.038 3.801) 5.971 4.954 ( 2.043 3.459 2.133) 4.549 4.996 ( -2.287 -3.281 2.003) 4.473 5.194 ( -4.179 8.745 -0.008) 9.692 5.345 ( -1.449 -8.920 -4.811) 10.237 5.472 ( 2.051 -4.655 2.939) 5.875 5.601 ( 0.249 0.965 -2.416) 2.614 5.768 ( -2.773 5.323 2.891) 6.662 5.827 ( 1.887 2.308 -3.166) 4.349 5.858 ( -2.235 8.101 -1.993) 8.637 5.967 ( -3.408 2.460 -0.699) 4.260 6.082 ( 0.127 6.179 -1.088) 6.276 6.240 ( 7.655 2.261 -5.494) 9.690 6.268 ( -1.357 -1.583 -1.412) 2.519 6.419 ( 0.781 0.196 -0.068) 0.808 6.490 ( 0.228 -0.005 4.133) 4.139 6.630 ( 5.255 -1.798 -7.254) 9.136 6.701 ( -0.765 -1.602 0.564) 1.863 6.880 ( -1.244 -3.246 -2.390) 4.218 7.024 ( -5.392 -1.410 -1.478) 5.766 7.109 ( -1.895 0.144 5.779) 6.083 7.160 ( 3.941 -0.313 -2.330) 4.588 7.251 ( 10.798 -1.731 4.773) 11.933 7.686 ( -1.829 3.477 5.561) 6.809 8.125 ( -0.006 -3.211 1.945) 3.755 8.295 ( 0.968 0.213 -2.259) 2.466 8.371 ( -0.020 -4.094 -1.250) 4.280 8.506 ( -1.340 -3.379 -2.437) 4.376 8.578 ( -1.173 1.019 0.846) 1.770 8.692 ( -1.302 0.601 -2.517) 2.897 8.832 ( -2.370 -5.183 0.082) 5.700 11.067 ( 0.601 1.315 -2.738) 3.096 11.152 ( 0.343 1.980 -3.256) 3.826 11.271 ( 0.097 0.764 -1.883) 2.034 11.297 ( 0.405 1.159 -0.388) 1.288 11.402 ( -1.859 0.643 3.161) 3.723 11.435 ( -3.665 1.650 0.835) 4.105 11.480 ( 1.932 -0.197 0.418) 1.987 11.545 ( 0.870 3.700 -0.739) 3.872 11.673 ( 0.317 -1.075 1.320) 1.732 11.745 ( 1.176 0.280 2.269) 2.571 11.829 ( -0.459 1.723 0.530) 1.860 12.094 ( 1.486 -1.398 -3.567) 4.109 16.425 ( 0.114 0.987 0.632) 1.178 16.535 ( -0.344 0.697 -0.854) 1.155 16.585 ( 0.255 -1.640 0.174) 1.669 16.624 ( 0.061 0.007 -0.321) 0.327 23.410 ( -1.079 -8.316 1.982) 8.617 23.433 ( 2.840 -6.219 2.983) 7.459 23.838 ( -0.456 5.744 1.579) 5.974 24.138 ( 3.569 -4.919 6.670) 9.024 24.509 ( -2.602 -4.295 -0.153) 5.024 24.702 ( -2.634 -10.996 -1.564) 11.415 25.151 ( 2.283 3.029 7.193) 8.132 25.253 ( 5.109 2.732 7.142) 9.197 25.704 ( -0.912 6.974 -4.205) 8.195 25.833 ( 2.209 2.816 -5.333) 6.423 26.039 ( -3.598 9.348 -4.643) 11.041 26.705 ( -4.381 -4.281 -7.607) 9.766 ======================= Grid point 93 (41/128) ======================= q-point: (-0.40 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -14.956 -1.566 -0.152) 15.038 2.061 ( -20.810 3.521 3.278) 21.359 2.284 ( 0.462 -0.852 8.469) 8.525 2.474 ( -0.670 -2.771 0.060) 2.852 2.621 ( 6.865 0.860 0.504) 6.937 2.710 ( 9.243 -3.780 -4.242) 10.849 2.830 ( -0.215 -1.204 -3.044) 3.280 2.950 ( -1.483 -0.620 -1.025) 1.907 3.125 ( -1.897 6.081 4.853) 8.008 3.222 ( 2.276 3.591 -3.155) 5.294 3.233 ( 1.619 -3.018 -6.488) 7.336 3.436 ( 0.143 -4.837 4.685) 6.736 3.625 ( -4.771 -2.763 4.615) 7.190 3.747 ( -4.530 -1.588 5.334) 7.176 3.831 ( 0.054 2.883 4.092) 5.006 3.871 ( 4.357 0.061 -1.509) 4.611 3.930 ( -9.575 0.045 -1.647) 9.716 4.017 ( 2.981 -1.927 0.166) 3.554 4.149 ( 4.945 -0.064 1.551) 5.182 4.199 ( -7.791 1.167 -4.035) 8.851 4.303 ( -3.938 2.763 -2.998) 5.668 4.356 ( -1.458 -5.747 5.503) 8.089 4.499 ( -0.315 1.270 1.760) 2.194 4.544 ( -3.978 2.335 1.222) 4.772 4.686 ( -2.878 -0.450 0.001) 2.913 4.906 ( -1.212 -1.546 -2.417) 3.115 4.942 ( -5.231 0.352 2.024) 5.620 5.061 ( 2.197 -5.786 6.319) 8.845 5.136 ( -2.517 3.854 0.212) 4.608 5.302 ( 2.720 -5.381 -3.693) 7.071 5.489 ( -1.992 -2.828 1.458) 3.754 5.594 ( 0.337 -0.417 -3.753) 3.791 5.702 ( -2.982 5.545 -1.361) 6.441 5.822 ( 0.399 8.321 -1.437) 8.453 5.854 ( 1.796 0.085 -1.157) 2.138 5.927 ( 0.884 4.561 0.793) 4.713 6.091 ( 2.045 5.702 -2.168) 6.434 6.200 ( -1.427 -0.205 -1.805) 2.310 6.389 ( 2.693 -1.142 -1.508) 3.291 6.490 ( 11.647 2.327 -2.815) 12.207 6.523 ( -0.827 -1.096 0.903) 1.644 6.608 ( -0.245 -3.190 -3.338) 4.624 6.678 ( -2.288 1.174 -0.513) 2.623 6.802 ( -2.389 -3.019 -3.506) 5.208 6.962 ( -2.773 2.886 2.675) 4.814 7.136 ( -0.696 0.442 3.509) 3.605 7.220 ( 3.544 1.019 0.044) 3.688 7.563 ( 18.110 -2.710 -0.967) 18.337 7.749 ( 1.608 3.136 10.227) 10.817 8.149 ( -0.841 -3.016 3.342) 4.580 8.236 ( -3.740 0.710 -3.607) 5.244 8.375 ( 0.954 -1.127 -2.632) 3.018 8.462 ( -2.247 -5.676 -2.430) 6.570 8.574 ( 2.132 0.890 -0.890) 2.476 8.628 ( -1.424 -2.412 -0.581) 2.861 8.798 ( -0.619 -2.751 -0.012) 2.820 11.044 ( -0.175 1.723 -2.558) 3.089 11.115 ( -0.236 3.204 -4.340) 5.400 11.270 ( 0.508 0.202 0.339) 0.643 11.303 ( 0.618 0.316 -0.627) 0.936 11.362 ( -3.729 1.960 0.262) 4.221 11.404 ( -2.048 1.270 2.801) 3.695 11.506 ( 1.166 -0.682 -0.646) 1.498 11.556 ( 0.837 2.218 -0.319) 2.392 11.705 ( 0.600 -0.983 2.783) 3.012 11.798 ( 1.778 0.533 1.196) 2.208 11.822 ( -0.350 0.968 0.987) 1.427 12.070 ( 0.108 -1.170 -4.447) 4.600 16.442 ( 0.930 0.858 0.978) 1.599 16.521 ( -0.056 0.572 -1.144) 1.280 16.592 ( 0.235 -1.258 0.227) 1.300 16.621 ( -0.027 -0.093 -0.486) 0.495 23.382 ( -4.339 -6.742 2.867) 8.514 23.481 ( -0.822 -7.620 1.570) 7.824 23.832 ( -4.087 4.227 5.787) 8.250 24.231 ( -0.854 -11.948 4.392) 12.758 24.456 ( -2.017 1.045 -0.045) 2.272 24.648 ( -0.631 -4.902 -1.922) 5.303 25.303 ( 1.386 0.556 14.072) 14.151 25.391 ( -1.408 0.091 10.093) 10.191 25.624 ( 0.018 9.278 -5.697) 10.887 25.797 ( 3.699 5.235 -11.927) 13.540 26.048 ( 7.745 6.453 -1.859) 10.251 26.570 ( 1.215 -3.659 -12.660) 13.234 ======================= Grid point 94 (42/128) ======================= q-point: (-0.30 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -21.037 2.148 0.496) 21.152 1.672 ( -24.511 8.287 2.025) 25.954 2.394 ( -2.271 2.624 1.092) 3.638 2.425 ( -0.948 -4.473 6.397) 7.863 2.637 ( -5.653 3.448 -0.763) 6.666 2.746 ( -5.419 1.708 -4.266) 7.105 2.780 ( 0.589 6.195 -3.622) 7.200 2.898 ( -2.346 -6.081 -2.698) 7.054 3.188 ( 5.167 0.136 0.933) 5.253 3.224 ( 1.230 1.939 0.264) 2.312 3.228 ( -1.958 -0.270 1.523) 2.495 3.370 ( -12.358 4.474 -3.123) 13.509 3.506 ( -10.395 -2.257 2.213) 10.865 3.583 ( -9.075 -3.710 -0.310) 9.809 3.788 ( -1.108 -5.505 4.434) 7.155 3.891 ( -1.689 -0.855 4.913) 5.265 3.984 ( 1.895 3.717 -5.579) 6.967 4.017 ( -1.309 3.558 0.778) 3.870 4.132 ( 6.295 -5.307 3.768) 9.055 4.169 ( -2.811 3.030 0.001) 4.133 4.325 ( 3.565 -2.397 -0.709) 4.354 4.337 ( 2.419 -1.091 1.100) 2.872 4.507 ( -2.261 0.400 3.911) 4.535 4.581 ( 1.340 -4.611 4.739) 6.746 4.655 ( 0.703 2.468 -1.232) 2.847 4.855 ( -4.447 -2.253 2.653) 5.647 4.939 ( 6.216 -1.655 -2.486) 6.896 5.108 ( -1.129 -7.920 3.427) 8.703 5.144 ( 1.583 -7.043 3.631) 8.080 5.379 ( 7.694 0.922 -2.965) 8.297 5.461 ( -2.799 -2.265 -1.333) 3.839 5.501 ( -3.695 1.567 -1.471) 4.275 5.689 ( 0.796 3.199 0.728) 3.376 5.825 ( 1.910 8.921 -1.477) 9.242 5.873 ( 1.903 -0.688 -1.698) 2.642 5.997 ( 4.526 2.788 0.422) 5.333 6.103 ( 1.795 3.669 -2.530) 4.805 6.178 ( 0.014 1.994 -0.602) 2.083 6.353 ( -2.858 0.310 -2.291) 3.676 6.419 ( -5.537 -4.243 -7.280) 10.083 6.564 ( -2.183 -0.391 0.018) 2.217 6.620 ( -2.170 3.776 -0.092) 4.356 6.639 ( -0.208 0.361 -0.335) 0.534 6.811 ( 5.206 -2.639 0.256) 5.842 6.962 ( 2.313 5.025 -0.641) 5.569 7.137 ( -1.611 0.674 0.280) 1.768 7.258 ( -0.610 5.565 1.114) 5.709 7.750 ( 6.783 0.214 -1.924) 7.053 7.989 ( 9.655 1.408 3.668) 10.424 8.061 ( -3.606 0.757 -5.897) 6.954 8.225 ( 0.626 -1.836 8.121) 8.349 8.349 ( -4.288 -4.300 -0.601) 6.103 8.358 ( -0.276 1.717 -2.688) 3.201 8.641 ( 1.025 -4.874 2.060) 5.390 8.703 ( 9.051 -4.490 1.270) 10.183 8.809 ( 2.178 -2.941 0.725) 3.731 11.014 ( -1.048 2.001 -1.592) 2.763 11.064 ( -0.897 4.131 -3.655) 5.588 11.240 ( -4.530 2.075 -0.301) 4.992 11.311 ( 1.106 -1.419 0.461) 1.857 11.349 ( 1.344 1.868 0.487) 2.352 11.394 ( -1.148 1.894 2.553) 3.380 11.518 ( 0.876 -1.331 -0.424) 1.649 11.567 ( 0.596 0.860 -0.196) 1.064 11.738 ( -0.088 -0.550 2.540) 2.600 11.789 ( -1.256 -1.664 -0.556) 2.158 11.870 ( 2.466 1.848 1.120) 3.279 12.013 ( -1.011 -0.707 -5.361) 5.501 16.475 ( 1.411 0.635 1.160) 1.934 16.513 ( 0.360 0.499 -1.072) 1.236 16.598 ( 0.175 -0.780 0.164) 0.816 16.613 ( -0.231 -0.195 -0.689) 0.753 23.311 ( -6.401 -5.940 2.381) 9.051 23.429 ( -5.113 -5.612 -0.671) 7.622 23.797 ( -6.839 1.189 6.581) 9.565 24.154 ( -8.531 -16.066 -1.952) 18.294 24.452 ( 0.100 1.814 1.149) 2.150 24.663 ( 2.866 -0.844 0.724) 3.074 25.299 ( -6.976 0.245 1.466) 7.132 25.481 ( -3.753 -1.684 8.593) 9.526 25.617 ( 2.378 6.765 -3.966) 8.194 25.804 ( 9.211 12.609 -1.757) 15.714 26.262 ( 13.820 2.900 4.340) 14.773 26.525 ( 8.011 -2.382 -13.307) 15.714 ======================= Grid point 95 (43/128) ======================= q-point: (-0.20 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -21.356 10.106 5.834) 24.336 1.243 ( -24.522 13.911 1.850) 28.254 2.091 ( -33.447 19.098 7.978) 39.333 2.411 ( -9.240 -4.342 -5.180) 11.449 2.543 ( 1.567 -6.790 4.808) 8.466 2.637 ( -1.450 4.092 -2.603) 5.062 2.752 ( -6.229 -5.490 -3.699) 9.090 2.815 ( 2.565 2.537 -2.104) 4.176 3.062 ( -10.930 3.460 -4.037) 12.155 3.134 ( -8.883 -3.036 0.111) 9.388 3.210 ( -1.898 0.182 -3.783) 4.236 3.252 ( -8.669 4.710 1.246) 9.944 3.437 ( 6.085 -1.327 -1.226) 6.348 3.507 ( -1.902 5.062 4.847) 7.262 3.765 ( -3.158 -4.304 0.049) 5.338 3.887 ( 1.433 -0.979 -0.293) 1.760 3.985 ( 0.615 -2.489 -2.243) 3.407 4.085 ( 4.062 0.356 4.316) 5.938 4.172 ( 0.327 5.048 3.793) 6.323 4.251 ( -0.545 -6.308 4.390) 7.704 4.307 ( 5.529 -1.813 -4.422) 7.308 4.482 ( -4.432 -1.478 4.058) 6.188 4.542 ( 12.139 0.393 -0.491) 12.155 4.638 ( 0.426 -5.845 2.586) 6.406 4.693 ( 3.666 0.527 0.680) 3.766 4.834 ( -0.942 -1.353 4.225) 4.535 5.040 ( 6.189 -3.392 -3.863) 8.046 5.168 ( 3.750 -7.810 2.629) 9.054 5.201 ( 1.759 -7.242 2.406) 7.832 5.323 ( -4.405 -3.910 -2.966) 6.594 5.435 ( 2.780 -2.990 -5.034) 6.482 5.566 ( 3.816 7.223 4.942) 9.547 5.711 ( -0.641 -3.718 1.436) 4.037 5.863 ( 4.240 6.740 -2.544) 8.359 5.905 ( 2.388 3.551 2.149) 4.789 6.045 ( 0.833 -0.110 -0.744) 1.123 6.107 ( 0.348 1.996 -2.519) 3.233 6.181 ( 0.686 0.210 -0.600) 0.935 6.246 ( -3.785 -1.964 -6.619) 7.873 6.292 ( -1.946 2.512 0.944) 3.314 6.484 ( -4.098 3.809 -0.846) 5.658 6.599 ( -1.860 3.673 1.045) 4.248 6.632 ( 0.524 2.985 1.386) 3.332 6.842 ( -3.363 1.569 3.387) 5.024 7.035 ( 5.008 0.357 -4.160) 6.520 7.079 ( -2.382 2.915 -2.942) 4.778 7.222 ( -3.489 8.531 0.656) 9.240 7.842 ( 4.836 0.306 -0.594) 4.882 7.897 ( -4.391 2.447 -2.269) 5.515 8.125 ( 3.042 0.794 -2.889) 4.269 8.263 ( 0.818 -0.205 -2.896) 3.016 8.327 ( -2.221 -5.392 1.039) 5.924 8.447 ( 6.658 3.486 6.065) 9.657 8.707 ( 3.346 -8.126 5.088) 10.154 8.776 ( -0.095 -4.003 0.535) 4.040 8.959 ( 10.407 -6.738 -0.153) 12.399 10.960 ( -3.187 2.932 -1.615) 4.621 11.028 ( -0.732 4.064 -0.801) 4.206 11.147 ( -4.564 2.557 -0.593) 5.265 11.340 ( 0.701 -2.159 1.733) 2.856 11.370 ( 0.697 1.224 0.906) 1.675 11.451 ( 4.249 2.575 2.690) 5.650 11.527 ( 0.145 -1.071 0.018) 1.081 11.573 ( 0.223 -0.722 -0.001) 0.756 11.743 ( -0.971 -1.000 0.430) 1.459 11.760 ( -1.471 -2.357 -0.131) 2.782 11.909 ( 1.141 1.436 -1.045) 2.111 11.945 ( -0.229 1.019 -4.012) 4.146 16.505 ( 0.786 0.212 -0.072) 0.817 16.520 ( 1.284 0.730 0.392) 1.528 16.598 ( -0.277 -0.399 -0.581) 0.757 16.604 ( 0.074 -0.188 -0.033) 0.204 23.200 ( -7.572 -5.560 0.482) 9.407 23.304 ( -6.916 -3.967 -1.429) 8.100 23.698 ( -9.084 -3.644 -0.052) 9.788 23.897 ( -15.522 -12.935 -5.239) 20.873 24.467 ( 0.447 0.458 0.818) 1.039 24.737 ( 2.683 -0.785 2.741) 3.915 25.199 ( -5.170 1.256 1.696) 5.585 25.368 ( -1.955 1.901 -15.861) 16.094 25.568 ( 1.637 8.554 -11.566) 14.478 26.156 ( 10.910 4.796 29.171) 31.511 26.579 ( 14.466 1.878 5.537) 15.603 26.600 ( 12.453 2.015 -6.338) 14.118 ======================= Grid point 96 (44/128) ======================= q-point: (-0.10 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -14.434 18.355 12.543) 26.506 0.874 ( -18.712 19.991 8.048) 28.540 1.553 ( -35.583 27.811 21.608) 50.065 2.246 ( -3.847 -5.418 -2.732) 7.184 2.560 ( -0.194 -4.103 0.245) 4.114 2.608 ( -3.362 -3.784 -5.394) 7.397 2.660 ( 1.874 -2.072 2.031) 3.454 2.816 ( -4.002 -2.209 -7.342) 8.648 2.834 ( -4.030 7.064 -3.164) 8.726 2.980 ( -7.507 -2.383 0.783) 7.915 3.083 ( -7.025 5.570 5.296) 10.413 3.214 ( 2.892 2.981 -5.277) 6.715 3.439 ( -0.622 5.394 -1.451) 5.620 3.629 ( 3.907 -1.097 2.510) 4.772 3.702 ( -2.519 -3.568 -2.273) 4.924 3.899 ( 1.747 -0.127 -6.229) 6.471 3.988 ( 3.853 -2.842 -2.549) 5.424 4.158 ( 0.919 -3.816 1.066) 4.067 4.205 ( -3.913 1.738 -3.520) 5.543 4.226 ( -0.252 1.489 1.657) 2.242 4.380 ( 4.158 -2.723 -0.028) 4.971 4.472 ( -1.343 -3.863 5.640) 6.967 4.631 ( -1.595 -6.899 3.951) 8.109 4.681 ( 1.259 -0.819 1.287) 1.978 4.805 ( 7.748 1.363 -0.630) 7.892 4.897 ( -0.082 -2.241 8.064) 8.370 5.100 ( 6.928 -3.288 -4.976) 9.142 5.194 ( 0.640 -5.140 -5.780) 7.762 5.282 ( 2.654 -5.162 1.928) 6.116 5.332 ( 5.553 -4.844 2.170) 7.681 5.436 ( 1.910 -3.167 -1.123) 3.865 5.632 ( -1.639 -0.429 3.319) 3.726 5.661 ( -4.159 -5.071 0.359) 6.568 5.925 ( 3.282 4.695 0.104) 5.730 5.952 ( -0.771 4.183 0.220) 4.260 6.058 ( -1.728 -3.372 2.122) 4.342 6.100 ( 2.450 2.217 0.557) 3.350 6.169 ( -1.621 0.343 0.714) 1.804 6.187 ( 2.744 0.835 -3.377) 4.431 6.323 ( 2.129 4.736 1.579) 5.427 6.464 ( 3.024 5.029 0.222) 5.872 6.597 ( -1.369 0.873 7.863) 8.029 6.688 ( 3.218 3.476 1.642) 5.013 6.789 ( -4.770 7.000 3.382) 9.121 6.984 ( -3.063 2.710 -0.405) 4.110 7.073 ( 4.362 7.428 -4.673) 9.800 7.192 ( 1.054 3.504 -1.571) 3.982 7.822 ( -2.179 3.855 0.305) 4.438 7.943 ( 5.365 0.481 -0.386) 5.400 8.127 ( 0.035 0.649 -1.831) 1.943 8.238 ( -5.405 -5.567 0.048) 7.759 8.294 ( -0.203 -5.836 0.946) 5.915 8.533 ( 1.213 3.208 -0.428) 3.456 8.748 ( -2.264 -4.305 0.005) 4.864 8.841 ( 5.090 -7.147 -3.644) 9.501 9.057 ( 3.802 -5.034 -8.030) 10.211 10.893 ( -2.408 3.002 -0.596) 3.895 10.995 ( -2.359 3.265 -0.928) 4.134 11.094 ( -1.983 3.536 2.964) 5.022 11.359 ( -0.461 -2.554 1.002) 2.782 11.400 ( 1.383 0.735 1.097) 1.912 11.513 ( -1.792 -1.881 0.470) 2.641 11.564 ( 3.171 1.362 1.540) 3.780 11.583 ( 1.372 -1.625 1.431) 2.563 11.719 ( -1.872 -1.155 -0.674) 2.301 11.731 ( -0.635 -3.764 -0.298) 3.829 11.912 ( 2.360 2.528 -0.122) 3.461 11.949 ( 1.526 2.662 -0.409) 3.096 16.513 ( 0.567 0.122 -0.350) 0.678 16.548 ( 0.773 1.021 0.544) 1.391 16.588 ( 0.008 -0.669 -0.383) 0.771 16.608 ( 0.200 0.202 0.149) 0.321 23.008 ( -13.320 -6.666 -5.638) 15.926 23.189 ( -4.125 -3.016 0.095) 5.111 23.348 ( -17.616 0.189 -8.821) 19.702 23.664 ( -7.897 -2.382 1.093) 8.320 24.482 ( 0.091 1.463 1.047) 1.801 24.795 ( 0.172 -1.354 3.591) 3.841 25.122 ( -1.408 7.599 -13.272) 15.358 25.186 ( -0.874 6.502 -5.889) 8.816 25.497 ( 1.463 6.849 -7.449) 10.224 26.470 ( 5.225 -10.318 -1.066) 11.614 26.833 ( 9.001 0.774 7.242) 11.579 27.049 ( 21.891 -1.623 23.899) 32.450 ======================= Grid point 97 (45/128) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -2.735 21.975 7.605) 23.414 1.327 ( -2.567 24.672 10.780) 27.047 1.883 ( 2.051 -4.451 9.282) 10.497 2.274 ( -2.656 -17.927 4.229) 18.609 2.331 ( -0.954 24.207 12.290) 27.165 2.519 ( 1.616 1.056 -4.856) 5.226 2.591 ( 1.264 -1.973 -6.685) 7.083 2.705 ( -2.014 2.138 -0.279) 2.951 2.856 ( -1.140 -0.492 -3.671) 3.876 3.010 ( 2.057 8.244 -5.567) 10.158 3.163 ( -0.289 -2.896 -2.210) 3.655 3.292 ( 1.628 7.870 -2.120) 8.312 3.379 ( -4.926 -4.554 -6.195) 9.132 3.457 ( 0.590 -2.974 -5.540) 6.316 3.684 ( 0.720 -2.168 -3.855) 4.481 3.862 ( -0.590 -9.383 -5.231) 10.758 3.923 ( -0.243 -4.378 -0.230) 4.391 4.002 ( -0.266 -5.506 4.844) 7.338 4.119 ( -2.008 0.685 -4.531) 5.003 4.186 ( 0.118 -6.642 -2.514) 7.103 4.311 ( -1.165 3.402 2.425) 4.337 4.417 ( -0.438 -1.749 5.953) 6.220 4.660 ( -0.419 0.722 -0.260) 0.875 4.748 ( 1.169 5.142 3.627) 6.400 4.832 ( 0.201 -4.661 1.565) 4.921 4.898 ( -4.891 -0.356 -4.593) 6.719 5.024 ( 2.039 -1.728 -1.759) 3.199 5.087 ( 2.068 -6.471 2.494) 7.237 5.241 ( -0.113 -1.548 1.417) 2.102 5.397 ( 3.009 -0.575 2.990) 4.281 5.415 ( 3.649 -5.833 1.192) 6.983 5.522 ( 2.904 -3.926 5.487) 7.345 5.718 ( -0.484 3.646 2.525) 4.461 5.864 ( -2.000 -2.989 -0.979) 3.727 6.019 ( -1.210 2.308 1.857) 3.200 6.083 ( 0.298 0.099 -0.123) 0.337 6.159 ( 1.801 1.646 2.495) 3.490 6.207 ( -1.745 0.981 1.347) 2.413 6.252 ( 1.686 3.597 0.283) 3.982 6.401 ( -1.567 -2.708 1.261) 3.373 6.523 ( -2.295 7.939 3.254) 8.882 6.702 ( -3.888 1.263 5.531) 6.878 6.754 ( 1.312 2.681 0.781) 3.085 6.917 ( 0.430 -0.928 3.404) 3.554 7.042 ( 3.092 3.120 0.854) 4.475 7.177 ( 4.155 -1.647 -2.985) 5.375 7.333 ( 0.489 9.253 -3.166) 9.792 7.775 ( -8.638 -5.948 -3.446) 11.039 7.948 ( 0.419 3.094 0.816) 3.227 8.039 ( 0.048 -1.252 1.308) 1.811 8.124 ( 2.360 -0.953 0.627) 2.621 8.254 ( 0.483 -3.110 -1.180) 3.362 8.565 ( 0.486 -1.547 -1.281) 2.067 8.591 ( -0.426 -3.512 -4.160) 5.461 8.773 ( 0.138 4.474 -14.791) 15.453 8.979 ( 1.997 -3.704 -9.827) 10.690 10.949 ( 0.008 4.197 0.914) 4.295 11.035 ( 0.113 2.610 -0.393) 2.642 11.215 ( -0.018 4.690 3.737) 5.997 11.296 ( -0.544 -1.823 2.081) 2.819 11.431 ( -0.816 -2.915 1.746) 3.495 11.439 ( 0.151 -1.337 0.883) 1.610 11.524 ( -2.253 -0.382 0.981) 2.487 11.615 ( -2.293 -2.349 3.996) 5.171 11.656 ( 1.132 -0.804 -0.956) 1.686 11.685 ( 2.469 -1.987 0.192) 3.175 11.998 ( 0.212 2.123 1.124) 2.412 12.021 ( 0.895 1.266 0.805) 1.747 16.528 ( 0.236 0.674 0.012) 0.714 16.558 ( -0.763 -0.096 -0.707) 1.044 16.592 ( 0.831 0.189 0.793) 1.164 16.610 ( -0.142 -0.225 0.213) 0.341 22.937 ( 3.785 3.580 2.345) 5.713 23.112 ( 1.893 -3.887 2.595) 5.042 23.249 ( -2.002 5.110 -2.905) 6.210 23.477 ( -3.381 -5.020 -1.932) 6.354 24.571 ( -0.693 4.779 1.887) 5.185 24.762 ( -1.892 -3.368 3.516) 5.224 25.140 ( 0.655 3.106 -4.398) 5.424 25.204 ( 0.115 -0.138 -2.112) 2.119 25.687 ( 3.000 12.676 -7.058) 14.816 26.229 ( 0.264 -11.898 -7.188) 13.903 27.013 ( 0.468 2.006 6.122) 6.460 27.180 ( -2.531 -6.089 6.294) 9.116 ======================= Grid point 98 (46/128) ======================= q-point: ( 0.10 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 5.067 19.366 11.699) 23.185 1.453 ( 3.276 19.449 12.947) 23.593 2.124 ( 11.058 -12.964 5.891) 18.030 2.231 ( -4.659 -12.773 2.582) 13.839 2.473 ( 3.398 5.406 -2.968) 7.041 2.572 ( 9.458 6.119 -5.963) 12.746 2.659 ( 6.135 7.673 0.636) 9.844 2.717 ( 10.222 0.445 4.397) 11.137 2.811 ( 2.538 -3.677 -3.636) 5.760 3.011 ( 1.472 5.636 -6.510) 8.735 3.085 ( -1.842 -2.720 -4.404) 5.494 3.254 ( 2.335 -1.901 -4.895) 5.747 3.331 ( 3.660 7.027 -0.755) 7.959 3.475 ( 3.099 -2.567 -3.056) 5.053 3.671 ( -0.099 -4.802 -1.332) 4.984 3.784 ( -2.376 -13.480 -3.839) 14.216 3.905 ( -1.020 2.452 -0.139) 2.660 3.967 ( -3.800 3.871 -3.674) 6.552 4.050 ( 1.634 2.038 -2.988) 3.969 4.195 ( 0.978 -6.317 -1.632) 6.597 4.390 ( 2.866 0.494 8.308) 8.802 4.464 ( -1.040 -1.339 6.684) 6.896 4.603 ( -4.373 0.774 -2.791) 5.245 4.731 ( -5.001 -1.939 -3.214) 6.253 4.754 ( -3.595 3.347 0.793) 4.975 4.850 ( -2.542 -2.055 2.864) 4.346 5.041 ( -1.593 -1.617 1.586) 2.769 5.087 ( -2.233 -2.399 0.769) 3.367 5.183 ( -6.193 1.940 -1.317) 6.622 5.427 ( -1.916 -6.324 2.052) 6.919 5.475 ( 1.950 -1.890 2.975) 4.028 5.607 ( -0.699 -4.305 3.007) 5.298 5.776 ( 2.217 2.446 4.091) 5.257 5.890 ( 4.997 -1.436 -0.482) 5.222 6.004 ( -1.153 2.747 0.076) 2.980 6.071 ( -1.092 1.015 -2.309) 2.749 6.201 ( 0.060 1.062 1.870) 2.151 6.216 ( 2.730 0.590 1.528) 3.184 6.294 ( 3.312 -0.114 -1.595) 3.678 6.377 ( -1.519 -3.448 1.038) 3.908 6.523 ( -2.945 9.205 7.704) 12.360 6.668 ( -4.345 2.217 6.485) 8.115 6.744 ( -3.624 3.415 -0.173) 4.983 6.901 ( -3.706 -0.119 0.784) 3.790 7.158 ( 2.132 2.334 3.861) 4.990 7.248 ( 4.434 -1.926 1.227) 4.987 7.298 ( 0.761 6.909 -4.027) 8.033 7.642 ( 0.590 -4.370 -8.751) 9.799 7.950 ( -2.092 2.830 -0.215) 3.525 8.018 ( 1.840 1.353 0.303) 2.304 8.188 ( -1.045 -5.420 1.063) 5.621 8.279 ( 4.660 -3.761 -0.245) 5.993 8.482 ( -3.765 0.023 -8.565) 9.356 8.594 ( 1.550 0.027 -0.333) 1.586 8.618 ( -2.563 -0.012 -6.586) 7.067 8.864 ( -3.605 -4.961 -8.998) 10.889 10.996 ( 3.423 3.293 1.398) 4.951 11.057 ( 2.668 2.611 -1.524) 4.032 11.253 ( 0.725 3.826 2.620) 4.693 11.318 ( 0.647 0.016 2.155) 2.251 11.427 ( -1.511 -2.075 2.286) 3.438 11.454 ( 0.155 -0.499 0.723) 0.892 11.479 ( -2.981 -1.021 0.601) 3.208 11.591 ( -2.199 -2.623 1.638) 3.795 11.690 ( 2.471 0.250 -0.072) 2.484 11.741 ( 2.434 -1.475 0.737) 2.940 11.988 ( -2.016 2.854 0.762) 3.576 12.029 ( -1.024 1.162 0.927) 1.805 16.523 ( -1.038 0.643 -0.266) 1.250 16.541 ( -0.319 0.091 -0.162) 0.369 16.605 ( -0.405 0.011 0.233) 0.468 16.613 ( 0.431 -0.143 0.568) 0.727 23.043 ( 3.069 1.655 0.789) 3.575 23.209 ( 3.419 -4.308 3.501) 6.519 23.310 ( 12.911 0.469 -3.124) 13.292 23.443 ( 3.583 -3.500 -3.624) 6.183 24.563 ( -2.355 4.224 2.280) 5.346 24.741 ( -3.813 -2.836 2.820) 5.526 25.111 ( 2.658 5.722 -7.618) 9.892 25.204 ( 0.208 -1.446 0.688) 1.614 25.706 ( 4.088 9.396 -2.071) 10.454 26.120 ( -2.707 -8.708 -9.784) 13.374 27.012 ( -8.647 0.334 7.756) 11.620 27.084 ( -11.292 -2.110 5.431) 12.707 ======================= Grid point 99 (47/128) ======================= q-point: ( 0.20 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 7.764 12.029 12.565) 19.048 1.667 ( 6.204 12.015 12.070) 18.125 2.147 ( -5.001 -7.805 -1.748) 9.433 2.263 ( 4.825 -16.604 -5.248) 18.069 2.425 ( -0.677 3.181 -6.286) 7.078 2.643 ( 4.577 -2.430 -6.264) 8.130 2.793 ( 12.791 -0.076 -3.270) 13.203 2.868 ( 3.932 -5.758 -1.127) 7.063 2.957 ( 2.201 1.153 -2.617) 3.609 3.090 ( 7.889 4.146 2.041) 9.143 3.163 ( 13.254 2.587 4.641) 14.280 3.306 ( 4.981 0.259 -3.572) 6.135 3.423 ( 7.374 7.397 3.163) 10.913 3.477 ( 0.184 -6.492 0.704) 6.533 3.598 ( -5.341 -2.572 0.543) 5.953 3.779 ( 5.912 -4.794 -4.581) 8.884 3.863 ( -0.252 3.191 -3.925) 5.064 3.936 ( 3.303 1.552 -2.507) 4.428 4.090 ( 3.207 3.523 2.299) 5.290 4.220 ( 3.146 -3.477 -0.638) 4.732 4.443 ( -7.064 -1.325 6.262) 9.533 4.476 ( -5.318 -1.100 -1.390) 5.606 4.542 ( 1.912 5.666 6.554) 8.872 4.655 ( 0.429 1.466 -2.704) 3.106 4.689 ( -2.546 2.101 0.258) 3.311 4.807 ( -4.855 2.250 1.576) 5.578 4.987 ( -5.515 -4.413 3.303) 7.798 5.044 ( -1.729 3.641 -2.140) 4.564 5.077 ( -4.236 -2.179 1.183) 4.908 5.362 ( -5.030 -9.823 -0.788) 11.064 5.545 ( 1.204 0.612 2.047) 2.453 5.596 ( -1.001 -1.665 2.917) 3.504 5.837 ( -0.059 2.050 2.604) 3.314 5.931 ( -0.370 -1.372 -1.273) 1.908 6.004 ( -1.613 0.727 1.414) 2.265 6.018 ( 0.269 1.652 -2.164) 2.736 6.223 ( 2.785 1.892 -3.018) 4.521 6.284 ( 3.043 -0.278 -0.412) 3.083 6.346 ( 4.828 -0.647 -3.707) 6.122 6.375 ( -0.042 -1.364 2.760) 3.079 6.573 ( -1.482 5.733 9.497) 11.192 6.651 ( -3.730 3.060 0.396) 4.841 6.676 ( -3.421 1.039 3.820) 5.232 6.821 ( -5.405 -1.156 1.523) 5.733 7.163 ( -0.002 4.721 -3.666) 5.977 7.217 ( -2.319 8.478 -3.862) 9.600 7.347 ( -2.435 -2.876 4.074) 5.550 7.571 ( 0.370 -5.867 -11.018) 12.488 7.891 ( -4.054 4.807 0.842) 6.344 8.126 ( 5.058 -0.154 0.538) 5.089 8.164 ( 2.144 -4.823 -0.411) 5.294 8.271 ( -5.532 -6.710 -0.743) 8.728 8.426 ( 4.532 1.564 0.503) 4.821 8.532 ( -1.846 -1.691 -3.687) 4.457 8.628 ( 1.505 -2.227 -0.327) 2.708 8.723 ( -3.538 -4.467 -4.338) 7.161 11.078 ( 3.725 1.950 1.192) 4.371 11.088 ( 2.742 2.855 -2.175) 4.517 11.286 ( 1.204 2.484 0.456) 2.798 11.351 ( 0.749 1.089 1.408) 1.931 11.421 ( -2.544 0.053 4.073) 4.803 11.432 ( -2.160 0.963 1.054) 2.589 11.471 ( 0.868 -2.283 0.121) 2.446 11.579 ( -0.466 -2.856 0.612) 2.957 11.723 ( 0.827 2.806 -1.343) 3.218 11.776 ( 1.058 -0.317 1.334) 1.732 11.953 ( -2.729 2.286 -0.194) 3.566 12.011 ( -0.311 -0.028 -0.416) 0.520 16.495 ( -1.419 1.023 -0.361) 1.786 16.538 ( -0.147 -0.569 0.132) 0.602 16.596 ( -0.646 0.373 0.055) 0.748 16.623 ( 0.125 -0.371 0.330) 0.512 23.085 ( 3.219 0.924 -1.759) 3.783 23.262 ( 1.333 -5.655 -0.484) 5.830 23.540 ( 13.308 -2.436 -3.208) 13.904 23.563 ( 10.444 -2.319 1.073) 10.752 24.534 ( -3.179 2.737 2.286) 4.777 24.684 ( -5.075 -2.481 2.255) 6.083 25.091 ( 2.290 4.790 -5.404) 7.576 25.209 ( -0.197 -2.551 -0.597) 2.628 25.784 ( 5.119 6.374 0.161) 8.177 25.973 ( -2.388 -2.887 -9.126) 9.865 26.835 ( -15.521 3.571 5.714) 16.920 26.972 ( -9.346 -3.741 6.983) 12.252 ======================= Grid point 100 (48/128) ======================= q-point: ( 0.30 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 6.822 4.039 9.432) 12.321 1.876 ( 5.422 4.656 7.081) 10.061 2.064 ( -0.519 -1.726 -1.153) 2.139 2.271 ( 3.334 -11.447 -3.911) 12.548 2.405 ( 2.838 -0.068 -1.819) 3.371 2.659 ( 2.238 -6.599 -5.373) 8.799 2.859 ( -0.863 -5.863 -3.083) 6.680 2.901 ( -0.994 -1.336 -0.900) 1.893 3.011 ( 3.279 0.170 2.659) 4.225 3.191 ( -6.529 -5.018 0.496) 8.249 3.264 ( 10.950 3.298 -1.238) 11.503 3.329 ( 0.193 0.005 2.178) 2.186 3.466 ( 2.632 -0.745 0.122) 2.738 3.587 ( 5.533 -3.044 -5.392) 8.304 3.782 ( -0.027 1.694 -4.414) 4.728 3.805 ( 15.419 6.166 6.076) 17.683 3.900 ( 2.119 0.760 2.195) 3.144 3.991 ( 6.120 -1.305 -2.047) 6.584 4.156 ( 0.034 2.113 0.176) 2.120 4.255 ( 0.365 1.903 1.032) 2.195 4.363 ( -5.014 -1.339 4.378) 6.790 4.400 ( -2.302 1.809 -0.178) 2.933 4.604 ( -1.549 3.529 -1.871) 4.284 4.672 ( 6.469 4.467 3.877) 8.765 4.716 ( 0.066 3.105 4.585) 5.537 4.762 ( 1.850 5.376 -1.375) 5.849 4.952 ( -3.006 -4.204 4.417) 6.798 4.999 ( -0.594 2.715 -3.002) 4.091 5.070 ( 2.844 -3.008 3.253) 5.265 5.271 ( -3.047 -9.046 -1.954) 9.743 5.505 ( -4.378 1.477 0.645) 4.666 5.690 ( 6.404 -1.710 2.330) 7.026 5.816 ( -1.145 0.437 -4.219) 4.393 5.882 ( -2.457 3.020 -0.871) 3.989 5.981 ( -2.462 -1.482 3.095) 4.223 6.033 ( 0.176 1.646 1.798) 2.444 6.224 ( 2.288 3.316 -5.675) 6.960 6.292 ( 0.863 0.679 -4.087) 4.232 6.389 ( 1.233 1.639 -0.423) 2.094 6.420 ( 2.439 -0.279 -0.204) 2.464 6.583 ( -4.048 1.006 1.509) 4.436 6.597 ( -4.275 0.637 1.983) 4.756 6.659 ( -0.964 0.851 2.469) 2.783 6.783 ( -1.186 -2.077 2.354) 3.356 7.092 ( -3.250 5.184 -5.476) 8.212 7.148 ( -1.700 4.123 0.479) 4.485 7.277 ( -6.270 -1.056 0.621) 6.388 7.406 ( -8.097 -5.685 -8.176) 12.835 7.824 ( -4.627 5.534 2.351) 7.587 8.099 ( -5.287 -4.704 -0.278) 7.082 8.178 ( 3.798 -0.774 -1.406) 4.123 8.357 ( 4.516 -7.991 4.679) 10.303 8.445 ( -1.741 -0.374 -2.028) 2.699 8.553 ( 4.869 -4.771 0.529) 6.837 8.628 ( 0.267 0.943 0.178) 0.996 8.689 ( 1.592 -2.327 -0.609) 2.885 11.107 ( 1.513 2.594 -1.549) 3.378 11.146 ( 2.820 0.770 0.115) 2.925 11.303 ( 0.919 1.613 -1.000) 2.109 11.362 ( -0.233 0.867 0.030) 0.898 11.414 ( -1.195 1.595 2.107) 2.900 11.428 ( -1.646 0.181 4.269) 4.579 11.495 ( 1.307 -0.819 0.016) 1.542 11.579 ( -0.005 -2.662 -0.039) 2.662 11.690 ( -1.498 4.738 -1.634) 5.231 11.817 ( 1.174 -0.534 0.880) 1.562 11.879 ( -3.711 4.007 -0.882) 5.532 12.024 ( 2.371 -2.044 -1.866) 3.644 16.469 ( -1.096 1.410 -0.149) 1.792 16.538 ( -0.012 -1.377 0.159) 1.386 16.583 ( -0.709 0.783 -0.163) 1.069 16.624 ( -0.137 -0.569 -0.016) 0.585 23.136 ( 4.181 -1.093 -1.418) 4.548 23.275 ( 1.488 -5.868 -1.306) 6.193 23.726 ( 9.825 -1.683 -2.237) 10.217 23.758 ( 8.118 -2.709 3.717) 9.331 24.499 ( -2.800 0.596 1.755) 3.358 24.614 ( -5.203 -3.412 2.929) 6.877 25.093 ( 1.585 2.067 -1.146) 2.846 25.179 ( -1.294 -2.570 -2.017) 3.514 25.869 ( 3.468 5.780 -1.850) 6.990 25.889 ( 2.708 2.616 -5.835) 6.945 26.610 ( -13.894 6.291 2.834) 15.513 26.861 ( -9.288 -5.985 4.514) 11.936 ======================= Grid point 101 (49/128) ======================= q-point: ( 0.40 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 2.296 1.064 4.486) 5.151 1.993 ( 5.822 -0.040 1.014) 5.910 2.127 ( 2.897 -0.688 5.906) 6.615 2.369 ( 6.655 -7.953 4.445) 11.283 2.437 ( -0.733 -2.952 0.688) 3.118 2.607 ( -2.025 -4.780 -1.579) 5.426 2.790 ( -3.894 -5.189 -0.725) 6.528 2.811 ( -6.421 -2.050 -0.349) 6.749 3.086 ( 0.349 -1.206 4.353) 4.530 3.153 ( 2.433 -3.163 1.136) 4.149 3.367 ( 1.199 2.085 1.516) 2.844 3.400 ( 4.766 4.930 -2.044) 7.156 3.520 ( 2.420 -1.916 0.407) 3.113 3.655 ( 6.718 -6.971 -2.388) 9.972 3.727 ( -1.366 3.494 -3.642) 5.228 3.894 ( -3.433 4.266 2.489) 6.015 3.961 ( 1.608 2.535 -1.296) 3.270 4.055 ( 0.445 -4.731 -2.014) 5.161 4.180 ( 5.612 4.630 0.829) 7.323 4.271 ( -1.967 -0.826 0.627) 2.224 4.343 ( -0.592 0.764 0.832) 1.275 4.382 ( 0.086 2.597 0.869) 2.740 4.560 ( -0.481 1.617 -4.258) 4.580 4.667 ( -5.941 -6.069 2.333) 8.807 4.841 ( 4.809 7.784 3.782) 9.900 4.871 ( 4.208 4.900 2.611) 6.967 4.968 ( 0.690 2.170 1.562) 2.762 4.990 ( 2.384 1.945 -0.691) 3.153 5.172 ( 2.268 -5.714 -1.806) 6.408 5.253 ( 3.108 -6.992 2.417) 8.024 5.445 ( 0.509 5.737 -2.442) 6.256 5.738 ( -1.451 3.903 -5.625) 6.998 5.830 ( -2.236 2.350 5.006) 5.965 5.850 ( 7.411 -2.868 -5.440) 9.631 5.969 ( -1.497 1.595 3.179) 3.859 6.060 ( 0.792 2.973 1.950) 3.643 6.224 ( 1.639 4.024 -0.946) 4.446 6.254 ( 2.251 1.271 -7.950) 8.359 6.354 ( -4.179 2.672 -2.232) 5.439 6.441 ( -1.641 1.203 2.588) 3.292 6.489 ( -5.551 -1.034 0.376) 5.659 6.564 ( 2.137 -2.476 -3.824) 5.032 6.653 ( 0.160 0.841 -1.459) 1.692 6.794 ( 0.168 -3.224 1.372) 3.508 7.021 ( -2.714 -0.889 3.455) 4.483 7.126 ( -2.871 -1.875 -4.212) 5.431 7.165 ( -3.876 -0.312 -2.874) 4.835 7.202 ( -7.640 -0.268 6.067) 9.760 7.784 ( -2.847 5.507 3.363) 7.053 8.033 ( -2.519 -5.418 1.546) 6.172 8.245 ( 4.327 0.230 -1.001) 4.447 8.364 ( -2.562 -1.919 -0.998) 3.353 8.452 ( 0.746 -3.212 0.184) 3.302 8.577 ( -0.383 -5.298 0.111) 5.313 8.688 ( 2.820 -1.159 -0.736) 3.136 8.725 ( 1.910 -1.117 0.601) 2.293 11.113 ( 0.825 2.500 -1.374) 2.969 11.179 ( 1.053 0.303 -0.259) 1.126 11.301 ( 0.434 1.110 -1.972) 2.304 11.350 ( -0.434 0.808 -1.298) 1.589 11.421 ( -1.297 1.412 3.295) 3.812 11.448 ( 0.273 0.802 2.487) 2.627 11.498 ( -1.075 -0.124 -0.169) 1.096 11.576 ( 0.284 -1.893 -0.731) 2.049 11.675 ( 0.663 3.751 0.064) 3.809 11.777 ( -2.924 1.514 -0.648) 3.356 11.873 ( 1.234 3.393 -0.038) 3.610 12.044 ( 2.078 -2.918 -2.574) 4.411 16.454 ( -0.526 1.691 0.141) 1.776 16.540 ( 0.036 -2.115 0.090) 2.117 16.570 ( -0.450 1.263 -0.335) 1.382 16.619 ( -0.128 -0.742 -0.263) 0.797 23.202 ( 3.559 -3.386 0.128) 4.914 23.293 ( 1.101 -5.707 -0.057) 5.812 23.836 ( 4.433 -1.555 -0.892) 4.782 23.923 ( 4.615 -3.124 5.774) 8.024 24.470 ( -1.788 -1.015 0.864) 2.230 24.563 ( -4.074 -4.401 3.995) 7.206 25.124 ( 0.716 0.411 2.677) 2.802 25.165 ( 1.046 -0.903 2.385) 2.757 25.870 ( 3.616 6.397 -6.319) 9.692 25.931 ( 3.652 4.667 -3.908) 7.098 26.397 ( -10.358 8.200 -1.304) 13.275 26.727 ( -7.508 -7.269 -0.912) 10.491 ======================= Grid point 102 (50/128) ======================= q-point: (-0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -5.096 3.904 3.041) 7.103 2.137 ( 3.944 -5.558 2.043) 7.115 2.209 ( -1.457 0.009 8.541) 8.665 2.393 ( -2.063 -1.571 4.191) 4.928 2.535 ( 3.384 -7.137 7.619) 10.974 2.629 ( 2.333 1.362 1.963) 3.340 2.694 ( -2.939 -1.214 -1.749) 3.629 2.767 ( 0.964 -8.642 2.626) 9.084 3.143 ( 1.339 -0.038 3.462) 3.712 3.193 ( 0.792 -3.070 -1.412) 3.470 3.349 ( -2.358 0.509 -0.829) 2.551 3.412 ( -1.277 1.433 0.104) 1.922 3.616 ( 5.205 0.102 1.973) 5.567 3.667 ( -1.572 3.179 0.269) 3.556 3.754 ( 3.670 -3.337 0.581) 4.994 3.884 ( 1.160 5.933 -0.171) 6.048 3.955 ( 1.096 0.799 0.151) 1.365 4.038 ( 0.432 0.434 -2.251) 2.333 4.202 ( -4.814 -2.326 -2.455) 5.883 4.277 ( -0.072 -3.120 0.396) 3.146 4.338 ( 1.993 0.219 2.174) 2.957 4.373 ( -1.601 6.424 -2.983) 7.262 4.522 ( 1.858 -1.238 -4.689) 5.193 4.588 ( -3.116 -6.185 0.328) 6.933 4.805 ( -8.987 3.584 -0.912) 9.718 4.945 ( 2.238 1.697 -1.191) 3.051 4.980 ( -3.678 2.861 0.867) 4.739 5.012 ( -0.616 2.211 3.564) 4.239 5.159 ( -0.108 -7.077 -3.569) 7.927 5.263 ( -2.829 -6.172 -0.085) 6.790 5.528 ( 6.577 9.917 -1.237) 11.963 5.658 ( -2.389 5.141 -3.627) 6.730 5.801 ( -0.195 -2.042 -3.788) 4.308 5.873 ( -1.496 3.002 0.718) 3.430 5.998 ( -0.358 5.586 0.358) 5.609 6.077 ( -1.751 4.851 0.236) 5.163 6.200 ( -1.226 -0.238 -4.099) 4.285 6.245 ( -0.115 3.190 0.305) 3.207 6.291 ( 4.058 1.934 -3.552) 5.729 6.414 ( 2.819 -0.234 -2.358) 3.683 6.481 ( 0.497 -0.754 4.227) 4.322 6.605 ( 3.590 -0.504 -5.204) 6.342 6.644 ( 0.586 -2.825 0.232) 2.895 6.790 ( -1.649 -5.211 -2.343) 5.946 7.000 ( -1.906 -0.127 4.152) 4.570 7.093 ( 2.060 -2.317 6.398) 7.110 7.162 ( 1.725 0.858 -0.102) 1.929 7.213 ( 3.621 -1.632 4.809) 6.237 7.787 ( -1.270 5.868 5.014) 7.822 8.033 ( -0.335 -5.282 3.265) 6.219 8.303 ( -0.390 0.157 -0.762) 0.870 8.309 ( 1.147 -1.624 -1.464) 2.469 8.432 ( -1.421 -1.985 -2.548) 3.528 8.572 ( -0.372 -3.890 0.397) 3.928 8.676 ( -1.537 -0.381 -3.699) 4.024 8.740 ( -0.221 -2.683 -0.526) 2.743 11.110 ( 0.304 2.603 -1.488) 3.014 11.188 ( 0.376 0.644 -0.100) 0.752 11.278 ( 0.130 0.800 -3.535) 3.627 11.328 ( -0.124 0.756 -1.557) 1.735 11.423 ( -1.990 1.301 3.086) 3.896 11.459 ( -2.756 0.468 1.277) 3.074 11.485 ( 1.476 0.920 -0.075) 1.741 11.583 ( 0.666 -1.558 0.213) 1.708 11.684 ( 0.025 3.187 0.135) 3.190 11.764 ( 1.261 0.834 1.023) 1.825 11.878 ( -0.263 3.261 -0.765) 3.360 12.047 ( 1.292 -3.164 -3.088) 4.607 16.454 ( 0.116 1.730 0.457) 1.793 16.537 ( -0.239 -1.612 -0.357) 1.669 16.565 ( 0.224 0.787 -0.099) 0.825 16.615 ( 0.020 -0.857 -0.445) 0.965 23.253 ( 0.831 -4.875 1.458) 5.156 23.313 ( 0.619 -5.875 0.987) 5.989 23.877 ( -0.110 -0.413 1.714) 1.767 24.018 ( -0.443 -6.248 5.287) 8.197 24.462 ( 0.057 -0.064 1.525) 1.527 24.546 ( -2.271 -3.831 3.895) 5.916 25.192 ( 1.408 1.256 8.509) 8.716 25.258 ( 2.520 -1.450 8.280) 8.775 25.861 ( 2.377 7.096 -7.655) 10.706 25.932 ( 2.240 4.505 -6.614) 8.310 26.233 ( -3.197 8.896 -5.728) 11.053 26.580 ( -3.914 -7.338 -7.338) 11.091 ======================= Grid point 103 (51/128) ======================= q-point: (-0.40 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -11.890 7.339 1.563) 14.060 2.059 ( -12.760 -2.203 4.651) 13.759 2.269 ( -3.587 -1.066 10.863) 11.490 2.484 ( 2.140 3.923 5.035) 6.732 2.615 ( -2.727 -12.822 4.700) 13.926 2.667 ( 4.571 1.317 1.563) 5.007 2.726 ( 7.226 2.641 -0.757) 7.731 2.882 ( 5.536 -6.530 1.585) 8.706 3.150 ( -1.024 -2.388 -5.514) 6.095 3.180 ( -2.251 1.353 6.906) 7.388 3.334 ( -0.207 -2.096 1.905) 2.840 3.398 ( 1.151 0.200 -0.659) 1.341 3.579 ( -6.878 5.766 2.759) 9.390 3.728 ( 0.048 0.225 1.696) 1.711 3.825 ( 4.223 -3.306 1.351) 5.531 3.899 ( -6.293 -0.119 0.530) 6.317 3.960 ( -1.633 3.458 -0.971) 3.946 4.039 ( 4.426 1.480 -2.931) 5.511 4.137 ( 2.087 -0.408 0.014) 2.127 4.217 ( -2.725 -3.234 -1.126) 4.376 4.263 ( -6.128 2.103 -2.043) 6.794 4.389 ( -0.944 2.404 -0.626) 2.658 4.506 ( -1.720 1.716 -3.200) 4.018 4.554 ( -1.455 -2.412 -3.462) 4.463 4.652 ( -0.744 -1.178 0.739) 1.578 4.845 ( -5.680 -4.366 -3.985) 8.198 4.960 ( -7.520 1.458 1.220) 7.756 4.991 ( 0.352 -0.206 3.381) 3.405 5.086 ( -5.004 -3.982 -1.179) 6.503 5.241 ( 1.653 -6.311 -1.292) 6.651 5.546 ( -2.261 5.887 -1.488) 6.479 5.588 ( -1.854 1.336 -2.961) 3.740 5.755 ( 1.124 2.039 -3.620) 4.304 5.890 ( 1.792 5.016 0.196) 5.330 5.989 ( 1.077 2.115 -1.207) 2.663 6.015 ( -3.774 4.826 1.903) 6.415 6.156 ( 1.256 0.162 -5.157) 5.310 6.269 ( 1.780 4.754 -0.125) 5.077 6.337 ( 1.362 -2.830 -1.826) 3.633 6.469 ( -0.065 -3.138 -2.875) 4.256 6.551 ( 7.075 2.013 -0.218) 7.359 6.574 ( -0.559 1.509 -0.802) 1.798 6.671 ( 0.646 -2.528 0.673) 2.694 6.725 ( -1.102 -3.371 -2.254) 4.203 7.048 ( -0.709 4.798 5.114) 7.048 7.145 ( -0.581 0.154 2.621) 2.689 7.258 ( 8.032 2.808 2.382) 8.836 7.477 ( 17.398 -5.436 3.452) 18.551 7.843 ( 0.952 5.493 8.327) 10.021 8.070 ( -0.378 -4.516 4.262) 6.221 8.240 ( -2.935 -0.392 -1.892) 3.514 8.307 ( -3.213 -4.479 -2.487) 6.047 8.403 ( 3.090 0.814 -2.372) 3.979 8.553 ( -2.020 -4.364 -2.643) 5.487 8.603 ( -0.552 1.799 -1.442) 2.371 8.725 ( -0.544 -3.816 -0.577) 3.898 11.096 ( -0.179 3.117 -1.374) 3.411 11.188 ( -0.028 2.521 -1.120) 2.759 11.252 ( 0.667 -0.751 -2.456) 2.654 11.321 ( 0.899 0.160 -1.330) 1.613 11.398 ( -3.313 1.517 1.015) 3.782 11.427 ( -2.096 0.728 2.341) 3.225 11.504 ( 0.330 0.830 0.059) 0.895 11.590 ( -0.306 -0.219 0.339) 0.506 11.701 ( 1.211 1.529 1.154) 2.266 11.792 ( 0.044 -1.110 -0.823) 1.383 11.870 ( 0.818 3.414 0.293) 3.522 12.028 ( 0.216 -2.899 -3.733) 4.731 16.467 ( 0.724 1.481 0.754) 1.813 16.528 ( -0.095 -0.454 -0.686) 0.829 16.573 ( 0.503 -0.098 0.095) 0.522 16.611 ( 0.061 -0.857 -0.673) 1.092 23.253 ( -2.450 -4.381 1.751) 5.316 23.325 ( -0.587 -6.817 0.545) 6.864 23.870 ( -4.116 0.102 4.408) 6.032 24.006 ( -5.423 -8.224 3.362) 10.409 24.496 ( 0.085 1.878 3.478) 3.954 24.557 ( 0.633 -2.821 2.354) 3.729 25.322 ( -0.210 1.203 12.369) 12.429 25.377 ( -0.887 -1.261 11.374) 11.478 25.809 ( 1.139 7.543 -8.082) 11.114 25.900 ( 3.313 3.492 -7.672) 9.057 26.200 ( 6.904 7.309 -7.223) 12.380 26.468 ( 2.636 -5.805 -11.809) 13.420 ======================= Grid point 104 (52/128) ======================= q-point: (-0.30 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -13.924 13.267 2.466) 19.389 1.824 ( -17.704 5.796 4.971) 19.280 2.308 ( -3.478 -5.033 9.856) 11.600 2.472 ( -3.914 0.393 -1.402) 4.176 2.649 ( -3.125 -7.225 7.315) 10.745 2.705 ( 0.759 1.992 -0.256) 2.147 2.847 ( 1.641 5.365 -3.829) 6.792 2.902 ( -1.654 0.090 -2.798) 3.251 3.081 ( -2.001 -5.294 -2.173) 6.062 3.213 ( -0.215 -3.066 1.936) 3.632 3.355 ( -0.944 -0.068 2.971) 3.118 3.424 ( -4.622 -2.883 2.651) 6.059 3.476 ( -1.365 8.889 0.403) 9.002 3.578 ( -17.415 7.662 0.680) 19.038 3.747 ( -2.122 -0.034 4.016) 4.542 3.893 ( -0.129 1.038 0.774) 1.301 4.001 ( 1.835 -5.191 -1.570) 5.726 4.034 ( -2.329 -1.556 -0.630) 2.871 4.090 ( -3.124 3.768 0.192) 4.898 4.211 ( 0.721 -2.009 1.813) 2.801 4.287 ( 3.729 -1.767 -2.002) 4.586 4.344 ( 2.441 3.092 -1.803) 4.333 4.419 ( -1.144 -7.180 0.032) 7.271 4.534 ( 0.061 2.464 0.718) 2.568 4.698 ( 2.236 -0.289 -0.747) 2.375 4.763 ( -1.040 -5.767 -3.619) 6.887 4.867 ( 1.101 -3.871 1.265) 4.219 4.967 ( -5.279 -5.239 0.961) 7.499 5.060 ( 1.499 -0.426 3.811) 4.117 5.278 ( 3.696 -7.673 -1.798) 8.704 5.452 ( -4.191 1.011 -5.843) 7.261 5.561 ( 0.561 -0.143 -0.450) 0.733 5.767 ( 1.505 7.346 -0.382) 7.508 5.910 ( 1.722 3.852 -1.062) 4.351 6.006 ( 0.578 6.246 1.163) 6.379 6.025 ( 3.160 -0.591 -0.626) 3.275 6.128 ( 1.194 -0.094 -5.965) 6.084 6.265 ( -2.603 4.075 0.259) 4.842 6.311 ( 0.090 -4.406 -6.055) 7.489 6.365 ( -5.568 -0.803 -1.401) 5.797 6.582 ( 0.069 1.826 1.124) 2.145 6.634 ( 2.014 -0.328 -0.899) 2.230 6.668 ( -2.277 1.325 2.315) 3.507 6.765 ( 4.456 -2.026 1.816) 5.221 7.070 ( 1.371 4.600 -0.472) 4.823 7.155 ( 0.341 0.457 -0.485) 0.748 7.415 ( 4.330 9.401 3.038) 10.787 7.743 ( 8.954 -1.798 -0.832) 9.171 8.029 ( 2.354 0.777 9.434) 9.755 8.059 ( 3.633 -0.666 -1.750) 4.087 8.178 ( -3.554 -3.177 0.894) 4.850 8.226 ( -1.223 -3.758 -0.039) 3.953 8.414 ( 0.561 3.043 -2.452) 3.948 8.541 ( 2.604 -3.456 -0.110) 4.329 8.636 ( 4.409 -2.382 0.508) 5.037 8.717 ( 0.880 -5.172 -0.507) 5.271 11.078 ( -0.915 3.930 -0.316) 4.048 11.166 ( -0.400 4.913 -2.328) 5.451 11.255 ( 0.496 -2.415 0.344) 2.489 11.309 ( -1.844 2.159 -2.033) 3.492 11.365 ( 0.305 -0.189 0.579) 0.681 11.416 ( -1.520 0.164 2.114) 2.609 11.501 ( -0.779 0.426 0.910) 1.271 11.583 ( -1.000 -0.180 0.694) 1.230 11.732 ( 0.793 -0.084 0.376) 0.882 11.752 ( -2.026 -1.362 -1.762) 3.011 11.910 ( 2.420 1.836 0.238) 3.047 11.986 ( -0.430 -1.801 -3.896) 4.314 16.493 ( 1.123 1.040 0.916) 1.784 16.522 ( 0.307 0.200 -0.698) 0.788 16.583 ( 0.531 -0.387 0.140) 0.672 16.603 ( -0.044 -0.698 -0.885) 1.128 23.203 ( -4.472 -3.428 0.751) 5.685 23.289 ( -3.241 -6.598 -0.994) 7.418 23.807 ( -8.320 -0.301 4.888) 9.654 23.895 ( -10.025 -7.875 2.667) 13.024 24.513 ( -0.719 3.069 2.205) 3.847 24.619 ( 2.929 -2.447 2.524) 4.576 25.330 ( -6.456 2.510 4.164) 8.082 25.439 ( -4.595 -2.238 7.149) 8.789 25.769 ( 2.178 7.318 -5.151) 9.210 25.961 ( 8.712 1.592 -1.728) 9.024 26.345 ( 13.999 4.492 -1.874) 14.821 26.472 ( 10.587 -2.366 -10.849) 15.342 ======================= Grid point 105 (53/128) ======================= q-point: (-0.20 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -12.348 19.254 5.153) 23.446 1.549 ( -16.789 14.025 3.818) 22.208 2.283 ( -11.397 -7.244 -0.456) 13.512 2.351 ( -6.529 -10.639 6.324) 13.993 2.543 ( -15.815 16.877 2.433) 23.256 2.680 ( -2.470 2.740 -0.733) 3.761 2.737 ( -5.075 4.688 -4.008) 7.987 2.827 ( -1.079 -0.917 -3.566) 3.837 2.956 ( -9.331 -6.936 1.858) 11.774 3.197 ( -0.238 -4.954 -4.857) 6.942 3.267 ( -8.955 9.235 -0.290) 12.867 3.364 ( -1.656 5.748 3.633) 6.999 3.422 ( -0.458 3.562 -0.883) 3.698 3.557 ( -0.070 -0.293 5.099) 5.108 3.732 ( -1.548 -0.746 -0.228) 1.733 3.847 ( -0.639 -0.490 -3.528) 3.619 3.947 ( -0.446 -2.464 -3.708) 4.475 4.020 ( -3.809 -11.937 4.196) 13.214 4.131 ( 1.726 1.127 4.699) 5.132 4.236 ( 2.081 -0.300 0.457) 2.152 4.303 ( 1.734 1.069 -0.338) 2.065 4.392 ( -1.355 -7.308 2.249) 7.765 4.470 ( 3.557 -2.110 3.896) 5.682 4.619 ( 8.778 3.053 -3.094) 9.795 4.733 ( 4.516 2.433 -2.366) 5.649 4.754 ( 2.150 -6.071 2.607) 6.948 4.914 ( -1.059 -6.963 2.417) 7.446 4.997 ( 6.847 -7.767 3.399) 10.898 5.127 ( 3.051 0.214 0.987) 3.214 5.305 ( -4.137 2.721 -5.364) 7.300 5.329 ( 3.520 -6.516 -3.170) 8.056 5.540 ( -2.032 -6.488 -2.953) 7.412 5.780 ( -0.457 7.508 0.196) 7.525 5.953 ( 3.369 3.976 -1.204) 5.348 6.021 ( -2.057 -1.844 -0.499) 2.807 6.059 ( 1.701 4.727 1.540) 5.254 6.096 ( 2.828 -0.395 -5.621) 6.305 6.205 ( -3.236 2.003 0.112) 3.808 6.242 ( -1.540 0.480 -1.221) 2.023 6.328 ( 1.102 -0.147 1.214) 1.646 6.557 ( -3.642 3.406 1.655) 5.254 6.640 ( -2.386 0.241 2.632) 3.561 6.691 ( 3.046 3.286 0.914) 4.573 6.843 ( 1.721 -1.935 2.770) 3.792 7.089 ( 1.836 3.582 -3.561) 5.375 7.136 ( 0.019 1.906 -3.204) 3.728 7.446 ( -2.609 12.696 1.032) 13.003 7.849 ( 4.991 -0.554 -0.213) 5.026 7.954 ( -3.177 2.276 -0.691) 3.968 8.095 ( -5.860 -6.863 1.832) 9.208 8.177 ( 0.524 -2.418 0.198) 2.482 8.271 ( 1.348 -1.043 -2.495) 3.022 8.540 ( 13.210 1.812 3.930) 13.900 8.567 ( 0.996 -0.454 -0.824) 1.370 8.670 ( -1.024 -5.086 0.268) 5.195 8.833 ( 11.075 -5.811 -1.806) 12.637 11.048 ( -2.952 5.143 0.293) 5.938 11.132 ( -1.433 5.317 -1.146) 5.625 11.226 ( -3.447 3.987 -1.636) 5.519 11.279 ( 0.159 -3.405 1.319) 3.655 11.387 ( 0.234 -0.327 1.864) 1.906 11.434 ( 2.071 -2.301 0.015) 3.096 11.506 ( -0.041 -0.666 2.332) 2.426 11.565 ( -2.336 -1.026 1.811) 3.129 11.700 ( -1.678 -1.859 -1.370) 2.854 11.726 ( -1.026 -1.588 -1.336) 2.315 11.939 ( 1.331 1.510 -1.433) 2.471 11.965 ( 1.747 0.627 -1.540) 2.411 16.515 ( 0.622 0.699 -0.132) 0.945 16.533 ( 1.238 0.379 0.521) 1.396 16.589 ( -0.053 -0.359 -0.697) 0.786 16.597 ( 0.359 -0.409 -0.022) 0.544 23.104 ( -6.246 -2.448 -1.446) 6.862 23.197 ( -4.923 -5.232 -1.655) 7.372 23.640 ( -13.175 -1.126 -0.076) 13.223 23.728 ( -11.359 -4.935 4.789) 13.279 24.528 ( 0.604 4.133 1.211) 4.349 24.692 ( 1.984 -3.082 2.971) 4.718 25.241 ( -5.524 2.669 1.531) 6.323 25.355 ( -4.459 -1.964 -3.817) 6.190 25.760 ( 3.052 9.447 -8.071) 12.795 26.132 ( 7.228 -6.090 3.369) 10.034 26.628 ( 14.841 2.433 1.295) 15.095 26.655 ( 16.567 2.146 1.022) 16.736 ======================= Grid point 106 (54/128) ======================= q-point: (-0.10 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -10.445 20.339 5.898) 23.613 1.343 ( -9.419 22.898 5.995) 25.475 1.972 ( -17.035 -4.099 2.357) 17.679 2.302 ( -8.460 0.488 3.192) 9.056 2.336 ( -8.058 9.103 10.592) 16.125 2.591 ( -3.559 1.980 -4.334) 5.947 2.653 ( -2.097 0.175 -2.923) 3.601 2.756 ( -3.069 -0.802 -1.512) 3.514 2.889 ( -1.602 -2.441 1.578) 3.319 3.096 ( -5.073 11.411 -6.235) 13.958 3.168 ( -0.112 -1.210 -0.492) 1.311 3.329 ( -1.821 7.968 -3.357) 8.836 3.416 ( 1.585 -1.438 -3.827) 4.385 3.560 ( -3.165 -7.695 0.455) 8.333 3.709 ( 0.106 -0.196 -2.118) 2.129 3.864 ( 4.622 -5.181 -1.494) 7.102 3.912 ( 0.402 -0.314 -3.543) 3.580 3.991 ( -3.367 -15.913 3.547) 16.648 4.168 ( -0.538 -0.977 -1.432) 1.815 4.244 ( -1.389 -2.007 -0.983) 2.631 4.342 ( -3.847 -1.433 2.477) 4.794 4.360 ( 0.889 -0.122 4.101) 4.198 4.609 ( 4.887 3.563 4.601) 7.599 4.681 ( 2.743 0.664 -1.441) 3.169 4.799 ( 2.770 -2.776 -1.319) 4.137 4.888 ( 7.829 0.482 1.512) 7.988 4.969 ( 3.569 -6.763 4.157) 8.703 5.085 ( -1.298 -3.775 -2.565) 4.745 5.224 ( 1.501 -1.432 -1.447) 2.529 5.231 ( 8.093 -4.040 0.564) 9.063 5.361 ( 1.529 -2.809 0.530) 3.241 5.478 ( -1.044 -6.872 0.241) 6.955 5.749 ( -2.944 5.318 0.294) 6.086 5.930 ( -2.582 -2.822 -2.224) 4.425 6.014 ( -1.150 1.513 3.225) 3.743 6.086 ( 0.015 4.412 0.153) 4.415 6.110 ( 1.614 -1.659 0.547) 2.378 6.179 ( -0.145 2.048 2.251) 3.046 6.254 ( 1.389 3.723 -0.715) 4.037 6.382 ( 1.725 -0.352 2.162) 2.789 6.529 ( -1.129 4.237 1.582) 4.661 6.638 ( -0.014 1.481 4.909) 5.127 6.751 ( 1.592 2.962 0.717) 3.438 6.882 ( -0.114 -0.373 2.128) 2.163 7.044 ( -1.543 3.720 -1.950) 4.474 7.137 ( 4.008 0.548 -4.662) 6.173 7.380 ( -3.492 12.618 -1.060) 13.135 7.921 ( -0.413 3.940 -2.075) 4.472 7.943 ( 4.589 -4.243 1.387) 6.402 7.983 ( -8.486 -7.848 3.221) 11.999 8.158 ( -2.499 0.389 -0.463) 2.571 8.254 ( 0.702 -1.301 -1.907) 2.412 8.566 ( 0.291 -0.902 -0.882) 1.295 8.638 ( -1.150 -5.383 -1.920) 5.830 8.785 ( 11.522 2.300 -6.802) 13.576 8.972 ( 7.822 -4.118 -6.749) 11.121 10.982 ( -3.645 5.239 -0.011) 6.383 11.076 ( -3.310 3.668 -1.131) 5.068 11.188 ( -0.767 4.714 2.258) 5.283 11.291 ( -0.778 -3.515 1.968) 4.103 11.413 ( 0.356 -0.654 1.921) 2.060 11.446 ( -0.596 -3.208 -0.172) 3.268 11.533 ( -0.189 -1.591 0.965) 1.870 11.571 ( 0.414 -1.150 5.273) 5.413 11.668 ( -0.753 -1.851 -0.673) 2.108 11.686 ( -1.432 -1.761 -1.391) 2.662 11.965 ( 2.330 2.193 -0.055) 3.200 11.991 ( 1.898 1.179 -0.432) 2.276 16.522 ( 0.495 0.758 -0.268) 0.944 16.563 ( 1.142 -0.445 0.664) 1.394 16.577 ( -0.273 0.465 -0.614) 0.817 16.606 ( 0.299 -0.335 0.270) 0.524 22.963 ( -6.051 1.245 -1.868) 6.453 23.111 ( -2.904 -4.221 -0.063) 5.124 23.394 ( -11.433 3.439 -1.096) 11.990 23.584 ( -8.142 -4.762 1.785) 9.600 24.554 ( 0.626 4.644 1.384) 4.886 24.743 ( 0.147 -3.491 3.415) 4.886 25.176 ( -2.731 1.897 0.317) 3.340 25.252 ( -1.287 -0.536 -5.698) 5.867 25.722 ( 2.964 12.484 -10.190) 16.385 26.239 ( 3.898 -11.697 -2.276) 12.538 26.875 ( 9.130 2.852 4.204) 10.448 27.004 ( 13.085 -2.679 8.332) 15.743 ======================= Grid point 107 (55/128) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 0.850 -18.715 5.715) 19.587 1.587 ( 0.850 18.715 5.715) 19.587 1.833 ( -3.459 -23.181 6.716) 24.381 1.833 ( -3.459 23.181 6.716) 24.381 2.548 ( 1.271 -2.002 -6.615) 7.027 2.548 ( 1.271 2.002 -6.615) 7.027 2.780 ( -1.788 -3.838 -1.058) 4.364 2.780 ( -1.788 3.838 -1.058) 4.364 2.925 ( 0.463 -20.333 0.872) 20.357 2.925 ( 0.463 20.333 0.872) 20.357 3.220 ( -1.367 -9.343 -6.846) 11.663 3.220 ( -1.367 9.343 -6.846) 11.663 3.478 ( -3.561 -11.733 3.383) 12.720 3.478 ( -3.561 11.733 3.383) 12.720 3.548 ( 1.048 -8.938 -4.406) 10.020 3.548 ( 1.048 8.938 -4.406) 10.020 3.958 ( 2.494 -2.104 1.836) 3.744 3.958 ( 2.494 2.104 1.836) 3.744 4.121 ( -0.055 -1.471 -6.525) 6.689 4.121 ( -0.055 1.471 -6.525) 6.689 4.382 ( -1.985 -2.740 5.523) 6.477 4.382 ( -1.985 2.740 5.523) 6.477 4.718 ( -0.326 -4.529 -0.429) 4.561 4.718 ( -0.326 4.529 -0.429) 4.561 4.876 ( -2.616 -4.413 -0.140) 5.133 4.876 ( -2.616 4.413 -0.140) 5.133 4.988 ( 3.626 -0.890 0.647) 3.790 4.988 ( 3.626 0.890 0.647) 3.790 5.280 ( 2.865 -4.957 1.343) 5.881 5.280 ( 2.865 4.957 1.343) 5.881 5.446 ( 1.889 -3.209 5.963) 7.030 5.446 ( 1.889 3.209 5.963) 7.030 5.794 ( -0.879 -3.587 -0.360) 3.711 5.794 ( -0.879 3.587 -0.360) 3.711 6.060 ( 0.339 -1.564 0.822) 1.799 6.060 ( 0.339 1.564 0.822) 1.799 6.201 ( -0.953 -1.464 3.479) 3.893 6.201 ( -0.953 1.464 3.479) 3.893 6.329 ( -0.950 -3.657 -0.570) 3.821 6.329 ( -0.950 3.657 -0.570) 3.821 6.675 ( -1.800 -4.548 5.323) 7.229 6.675 ( -1.800 4.548 5.323) 7.229 6.830 ( 0.657 -5.015 1.588) 5.301 6.830 ( 0.657 5.015 1.588) 5.301 7.120 ( 2.986 -3.695 -1.867) 5.104 7.120 ( 2.986 3.695 -1.867) 5.104 7.568 ( -3.389 -11.822 -3.164) 12.699 7.568 ( -3.389 11.822 -3.164) 12.699 8.011 ( 1.184 -1.690 0.150) 2.069 8.011 ( 1.184 1.690 0.150) 2.069 8.171 ( -0.354 -4.366 -0.933) 4.479 8.171 ( -0.354 4.366 -0.933) 4.479 8.543 ( 0.458 -0.666 -3.171) 3.272 8.543 ( 0.458 0.666 -3.171) 3.272 8.883 ( 1.143 -5.319 -11.466) 12.692 8.883 ( 1.143 5.319 -11.466) 12.692 11.033 ( -0.504 -2.950 0.197) 2.999 11.033 ( -0.504 2.950 0.197) 2.999 11.279 ( 0.284 -1.370 3.140) 3.438 11.279 ( 0.284 1.370 3.140) 3.438 11.396 ( -0.079 -1.278 0.502) 1.375 11.396 ( -0.079 1.278 0.502) 1.375 11.559 ( -2.590 -2.750 3.382) 5.071 11.559 ( -2.590 2.750 3.382) 5.071 11.655 ( 1.798 -0.796 0.090) 1.968 11.655 ( 1.798 0.796 0.090) 1.968 12.028 ( 0.701 -0.608 1.030) 1.386 12.028 ( 0.701 0.608 1.030) 1.386 16.545 ( -0.052 -0.878 -0.228) 0.909 16.545 ( -0.052 0.878 -0.228) 0.909 16.602 ( 0.147 -0.538 0.430) 0.704 16.602 ( 0.147 0.538 0.430) 0.704 23.024 ( 2.286 -4.424 2.395) 5.526 23.024 ( 2.286 4.424 2.395) 5.526 23.363 ( -2.836 -5.662 -2.258) 6.723 23.363 ( -2.836 5.662 -2.258) 6.723 24.674 ( -1.335 -4.835 2.826) 5.757 24.674 ( -1.335 4.835 2.826) 5.757 25.183 ( 0.135 -1.589 -1.759) 2.374 25.183 ( 0.135 1.589 -1.759) 2.374 25.963 ( 1.729 -13.307 -7.348) 15.299 25.963 ( 1.729 13.307 -7.348) 15.299 27.077 ( -0.330 -4.012 4.838) 6.294 27.077 ( -0.330 4.012 4.838) 6.294 ======================= Grid point 109 (56/128) ======================= q-point: ( 0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 2.768 -14.803 8.743) 17.414 1.697 ( 2.768 14.803 8.743) 17.414 1.910 ( 3.060 -12.708 4.218) 13.735 1.910 ( 3.060 12.708 4.218) 13.735 2.565 ( 7.517 -3.779 -7.133) 11.030 2.565 ( 7.517 3.779 -7.133) 11.030 2.694 ( -1.249 -5.065 -5.844) 7.834 2.694 ( -1.249 5.065 -5.844) 7.834 3.017 ( 6.964 -7.007 -2.413) 10.170 3.017 ( 6.964 7.007 -2.413) 10.170 3.174 ( 2.539 -9.672 0.827) 10.034 3.174 ( 2.539 9.672 0.827) 10.034 3.448 ( -1.913 -9.924 0.812) 10.140 3.448 ( -1.913 9.924 0.812) 10.140 3.534 ( 2.146 -6.737 -3.782) 8.018 3.534 ( 2.146 6.737 -3.782) 8.018 3.996 ( 0.226 -2.692 -1.727) 3.206 3.996 ( 0.226 2.692 -1.727) 3.206 4.096 ( 2.504 -2.871 -1.887) 4.251 4.096 ( 2.504 2.871 -1.887) 4.251 4.409 ( -0.869 -2.859 6.020) 6.720 4.409 ( -0.869 2.859 6.020) 6.720 4.674 ( -4.265 -3.873 0.943) 5.838 4.674 ( -4.265 3.873 0.943) 5.838 4.809 ( -3.613 -2.162 0.634) 4.257 4.809 ( -3.613 2.162 0.634) 4.257 5.038 ( -0.655 -1.736 2.288) 2.946 5.038 ( -0.655 1.736 2.288) 2.946 5.278 ( -4.168 -6.386 -0.286) 7.631 5.278 ( -4.168 6.386 -0.286) 7.631 5.510 ( 1.019 -3.968 3.685) 5.510 5.510 ( 1.019 3.968 3.685) 5.510 5.837 ( 3.945 -3.125 0.769) 5.091 5.837 ( 3.945 3.125 0.769) 5.091 6.059 ( -0.909 -2.046 -1.476) 2.681 6.059 ( -0.909 2.046 -1.476) 2.681 6.216 ( 0.469 -0.345 2.286) 2.359 6.216 ( 0.469 0.345 2.286) 2.359 6.317 ( 0.893 -2.108 -0.938) 2.473 6.317 ( 0.893 2.108 -0.938) 2.473 6.667 ( -4.853 -3.168 7.918) 9.812 6.667 ( -4.853 3.168 7.918) 9.812 6.838 ( -3.818 -5.259 2.385) 6.923 6.838 ( -3.818 5.259 2.385) 6.923 7.192 ( 5.337 -1.913 0.047) 5.670 7.192 ( 5.337 1.913 0.047) 5.670 7.494 ( 0.502 -9.280 -7.091) 11.690 7.494 ( 0.502 9.280 -7.091) 11.690 8.007 ( -1.087 -2.549 0.914) 2.918 8.007 ( -1.087 2.549 0.914) 2.918 8.180 ( 1.628 -4.505 -1.762) 5.104 8.180 ( 1.628 4.505 -1.762) 5.104 8.512 ( 0.155 -3.230 -4.221) 5.317 8.512 ( 0.155 3.230 -4.221) 5.317 8.743 ( -4.191 -6.535 -7.915) 11.087 8.743 ( -4.191 6.535 -7.915) 11.087 11.061 ( 2.867 -2.204 -0.127) 3.618 11.061 ( 2.867 2.204 -0.127) 3.618 11.314 ( 0.275 -2.271 2.734) 3.565 11.314 ( 0.275 2.271 2.734) 3.565 11.406 ( 0.748 -1.533 0.137) 1.711 11.406 ( 0.748 1.533 0.137) 1.711 11.527 ( -3.005 -3.264 2.032) 4.880 11.527 ( -3.005 3.264 2.032) 4.880 11.707 ( 2.718 -1.480 1.168) 3.308 11.707 ( 2.718 1.480 1.168) 3.308 12.031 ( -1.711 -1.052 1.191) 2.335 12.031 ( -1.711 1.052 1.191) 2.335 16.536 ( -0.707 -0.520 -0.254) 0.914 16.536 ( -0.707 0.520 -0.254) 0.914 16.608 ( 0.010 -0.245 0.476) 0.535 16.608 ( 0.010 0.245 0.476) 0.535 23.110 ( 2.456 -4.428 2.648) 5.715 23.110 ( 2.456 4.428 2.648) 5.715 23.365 ( 7.015 -3.695 -3.216) 8.556 23.365 ( 7.015 3.695 -3.216) 8.556 24.659 ( -3.449 -4.640 2.877) 6.458 24.659 ( -3.449 4.640 2.877) 6.458 25.178 ( 1.331 -1.570 -2.789) 3.466 25.178 ( 1.331 1.570 -2.789) 3.466 25.917 ( 1.079 -10.367 -6.371) 12.216 25.917 ( 1.079 10.367 -6.371) 12.216 27.038 ( -8.688 -1.984 5.412) 10.427 27.038 ( -8.688 1.984 5.412) 10.427 ======================= Grid point 111 (57/128) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 4.193 -12.704 8.766) 15.994 1.849 ( 4.193 12.704 8.766) 15.994 1.951 ( -0.071 -5.732 0.221) 5.737 1.951 ( -0.071 5.732 0.221) 5.737 2.539 ( -0.006 -6.909 -7.596) 10.268 2.539 ( -0.006 6.909 -7.596) 10.268 2.782 ( 11.570 -1.834 -3.859) 12.334 2.782 ( 11.570 1.834 -3.859) 12.334 3.025 ( 1.982 -4.806 -4.892) 7.138 3.025 ( 1.982 4.806 -4.892) 7.138 3.324 ( 0.161 -7.453 6.753) 10.059 3.324 ( 0.161 7.453 6.753) 10.059 3.434 ( 3.682 -8.177 -4.277) 9.935 3.434 ( 3.682 8.177 -4.277) 9.935 3.625 ( 12.010 -7.646 2.047) 14.383 3.625 ( 12.010 7.646 2.047) 14.383 3.949 ( -0.067 -1.804 -5.505) 5.794 3.949 ( -0.067 1.804 -5.505) 5.794 4.157 ( 3.026 -2.735 2.639) 4.858 4.157 ( 3.026 2.735 2.639) 4.858 4.429 ( -4.660 -1.464 5.553) 7.396 4.429 ( -4.660 1.464 5.553) 7.396 4.649 ( 1.953 -2.722 0.911) 3.472 4.649 ( 1.953 2.722 0.911) 3.472 4.755 ( -3.711 -5.317 1.901) 6.757 4.755 ( -3.711 5.317 1.901) 6.757 5.016 ( -4.147 -3.832 2.656) 6.240 5.016 ( -4.147 3.832 2.656) 6.240 5.166 ( -5.402 -8.017 -1.313) 9.756 5.166 ( -5.402 8.017 -1.313) 9.756 5.566 ( 1.912 -1.238 1.256) 2.601 5.566 ( 1.912 1.238 1.256) 2.601 5.882 ( -0.267 -2.560 0.019) 2.574 5.882 ( -0.267 2.560 0.019) 2.574 6.018 ( -1.461 -0.605 -0.255) 1.602 6.018 ( -1.461 0.605 -0.255) 1.602 6.264 ( 4.244 -1.554 -3.185) 5.529 6.264 ( 4.244 1.554 -3.185) 5.529 6.349 ( 2.785 -0.862 0.913) 3.055 6.349 ( 2.785 0.862 0.913) 3.055 6.663 ( -3.863 -2.019 6.082) 7.483 6.663 ( -3.863 2.019 6.082) 7.483 6.755 ( -6.380 -5.052 2.557) 8.530 6.755 ( -6.380 5.052 2.557) 8.530 7.248 ( 0.402 -3.729 -1.043) 3.893 7.248 ( 0.402 3.729 -1.043) 3.893 7.421 ( -2.019 -8.254 -6.870) 10.927 7.421 ( -2.019 8.254 -6.870) 10.927 8.025 ( 0.129 -7.549 1.956) 7.800 8.025 ( 0.129 7.549 1.956) 7.800 8.158 ( -0.291 -3.312 -2.555) 4.193 8.158 ( -0.291 3.312 -2.555) 4.193 8.481 ( 0.809 -3.080 -3.133) 4.467 8.481 ( 0.809 3.080 -3.133) 4.467 8.641 ( -1.397 -2.978 -1.613) 3.664 8.641 ( -1.397 2.978 -1.613) 3.664 11.112 ( 2.860 -0.726 -0.630) 3.017 11.112 ( 2.860 0.726 -0.630) 3.017 11.338 ( 0.178 -2.483 1.111) 2.725 11.338 ( 0.178 2.483 1.111) 2.725 11.420 ( -0.269 -0.809 1.756) 1.952 11.420 ( -0.269 0.809 1.756) 1.952 11.508 ( -0.483 -3.760 0.739) 3.862 11.508 ( -0.483 3.760 0.739) 3.862 11.762 ( 2.042 -1.237 0.638) 2.472 11.762 ( 2.042 1.237 0.638) 2.472 11.995 ( -2.532 -1.541 0.110) 2.966 11.995 ( -2.532 1.541 0.110) 2.966 16.518 ( -0.880 -1.138 -0.211) 1.454 16.518 ( -0.880 1.138 -0.211) 1.454 16.610 ( -0.232 -0.758 0.301) 0.848 16.610 ( -0.232 0.758 0.301) 0.848 23.145 ( 1.376 -4.737 -0.663) 4.977 23.145 ( 1.376 4.737 -0.663) 4.977 23.529 ( 11.259 -1.241 -0.394) 11.334 23.529 ( 11.259 1.241 -0.394) 11.334 24.609 ( -4.908 -4.092 2.676) 6.928 24.609 ( -4.908 4.092 2.676) 6.928 25.163 ( 0.447 -2.415 -3.769) 4.499 25.163 ( 0.447 2.415 -3.769) 4.499 25.897 ( 2.703 -4.497 -4.190) 6.715 25.897 ( 2.703 4.497 -4.190) 6.715 26.901 ( -11.722 -3.075 5.373) 13.257 26.901 ( -11.722 3.075 5.373) 13.257 ======================= Grid point 113 (58/128) ======================= q-point: ( 0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 2.098 -7.671 -2.505) 8.338 1.920 ( 2.098 7.671 -2.505) 8.338 2.045 ( 3.434 -7.821 10.851) 13.810 2.045 ( 3.434 7.821 10.851) 13.810 2.486 ( -0.083 -7.493 -3.625) 8.324 2.486 ( -0.083 7.493 -3.625) 8.324 2.852 ( 0.941 -3.097 -5.247) 6.165 2.852 ( 0.941 3.097 -5.247) 6.165 3.051 ( 0.989 -4.454 1.788) 4.900 3.051 ( 0.989 4.454 1.788) 4.900 3.356 ( 2.865 -3.260 3.728) 5.721 3.356 ( 2.865 3.260 3.728) 5.721 3.474 ( 4.842 -5.516 -5.917) 9.427 3.474 ( 4.842 5.516 -5.917) 9.427 3.849 ( 5.734 -3.586 -0.927) 6.827 3.849 ( 5.734 3.586 -0.927) 6.827 3.940 ( 3.553 -2.295 -0.597) 4.272 3.940 ( 3.553 2.295 -0.597) 4.272 4.224 ( 0.656 -3.106 3.160) 4.479 4.224 ( 0.656 3.106 3.160) 4.479 4.398 ( -2.016 -2.568 3.055) 4.471 4.398 ( -2.016 2.568 3.055) 4.471 4.673 ( -2.741 -2.824 -1.596) 4.247 4.673 ( -2.741 2.824 -1.596) 4.247 4.773 ( 5.122 -4.725 4.260) 8.167 4.773 ( 5.122 4.725 4.260) 8.167 4.998 ( 0.665 -5.624 3.798) 6.819 4.998 ( 0.665 5.624 3.798) 6.819 5.091 ( -1.734 -6.358 -1.520) 6.763 5.091 ( -1.734 6.358 -1.520) 6.763 5.595 ( 2.934 -6.210 -3.389) 7.659 5.595 ( 2.934 6.210 -3.389) 7.659 5.855 ( -1.456 -3.119 0.038) 3.443 5.855 ( -1.456 3.119 0.038) 3.443 6.010 ( -0.979 -2.546 2.458) 3.672 6.010 ( -0.979 2.546 2.458) 3.672 6.284 ( 3.214 -1.508 -6.067) 7.030 6.284 ( 3.214 1.508 -6.067) 7.030 6.414 ( 2.562 -0.790 0.745) 2.783 6.414 ( 2.562 0.790 0.745) 2.783 6.597 ( -6.035 -0.708 -0.049) 6.076 6.597 ( -6.035 0.708 -0.049) 6.076 6.721 ( -2.499 -3.785 5.372) 7.030 6.721 ( -2.499 3.785 5.372) 7.030 7.193 ( -2.552 -2.264 -6.117) 7.004 7.193 ( -2.552 2.264 -6.117) 7.004 7.280 ( -8.450 -4.495 -0.261) 9.575 7.280 ( -8.450 4.495 -0.261) 9.575 7.967 ( -5.803 -7.395 1.508) 9.521 7.967 ( -5.803 7.395 1.508) 9.521 8.217 ( 5.498 -4.584 0.496) 7.175 8.217 ( 5.498 4.584 0.496) 7.175 8.470 ( 0.418 -2.755 -2.065) 3.468 8.470 ( 0.418 2.755 -2.065) 3.468 8.652 ( 2.381 -1.414 0.641) 2.842 8.652 ( 2.381 1.414 0.641) 2.842 11.147 ( 1.684 -0.994 -0.514) 2.022 11.147 ( 1.684 0.994 -0.514) 2.022 11.342 ( 0.263 -2.072 -0.917) 2.281 11.342 ( 0.263 2.072 -0.917) 2.281 11.433 ( -1.059 -0.292 3.697) 3.857 11.433 ( -1.059 0.292 3.697) 3.857 11.516 ( 0.722 -2.877 -0.376) 2.990 11.516 ( 0.722 2.877 -0.376) 2.990 11.778 ( -0.447 -3.167 -0.400) 3.223 11.778 ( -0.447 3.167 -0.400) 3.223 11.963 ( -0.127 -3.730 -0.942) 3.849 11.963 ( -0.127 3.730 -0.942) 3.849 16.503 ( -0.629 -1.743 -0.091) 1.855 16.503 ( -0.629 1.743 -0.091) 1.855 16.606 ( -0.404 -1.092 -0.001) 1.165 16.606 ( -0.404 1.092 -0.001) 1.165 23.166 ( 2.075 -3.851 -1.168) 4.527 23.166 ( 2.075 3.851 -1.168) 4.527 23.716 ( 8.464 -1.480 1.318) 8.693 23.716 ( 8.464 1.480 1.318) 8.693 24.544 ( -4.907 -3.209 2.617) 6.421 24.544 ( -4.907 3.209 2.617) 6.421 25.132 ( -0.211 -2.033 -1.972) 2.840 25.132 ( -0.211 2.033 -1.972) 2.840 25.927 ( 4.471 -0.157 -3.859) 5.908 25.927 ( 4.471 0.157 -3.859) 5.908 26.735 ( -11.179 -5.918 3.128) 13.030 26.735 ( -11.179 5.918 3.128) 13.030 ======================= Grid point 115 (59/128) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 4.473 -3.132 -0.074) 5.461 1.968 ( 4.473 3.132 -0.074) 5.461 2.198 ( 0.843 -7.243 11.606) 13.706 2.198 ( 0.843 7.243 11.606) 13.706 2.458 ( -0.915 -5.553 0.566) 5.656 2.458 ( -0.915 5.553 0.566) 5.656 2.778 ( -3.172 -1.985 -2.825) 4.689 2.778 ( -3.172 1.985 -2.825) 4.689 3.092 ( 1.375 -1.979 3.175) 3.986 3.092 ( 1.375 1.979 3.175) 3.986 3.435 ( -1.192 -3.484 0.914) 3.794 3.435 ( -1.192 3.484 0.914) 3.794 3.519 ( 7.729 -4.893 -2.849) 9.581 3.519 ( 7.729 4.893 -2.849) 9.581 3.880 ( 1.288 -9.218 -1.702) 9.462 3.880 ( 1.288 9.218 -1.702) 9.462 3.979 ( 1.226 -1.659 -0.502) 2.123 3.979 ( 1.226 1.659 -0.502) 2.123 4.241 ( -1.795 -0.867 2.092) 2.890 4.241 ( -1.795 0.867 2.092) 2.890 4.395 ( -0.216 -3.410 0.331) 3.432 4.395 ( -0.216 3.410 0.331) 3.432 4.580 ( -4.193 -1.562 -2.296) 5.029 4.580 ( -4.193 1.562 -2.296) 5.029 4.923 ( 5.182 -1.513 0.922) 5.476 4.923 ( 5.182 1.513 0.922) 5.476 5.043 ( -0.032 -4.670 -0.449) 4.691 5.043 ( -0.032 4.670 -0.449) 4.691 5.100 ( 1.481 -7.051 3.607) 8.058 5.100 ( 1.481 7.051 3.607) 8.058 5.640 ( 8.221 -10.728 -7.645) 15.528 5.640 ( 8.221 10.728 -7.645) 15.528 5.843 ( -0.319 -1.783 0.664) 1.929 5.843 ( -0.319 1.783 0.664) 1.929 6.038 ( 1.505 -3.715 3.268) 5.171 6.038 ( 1.505 3.715 3.268) 5.171 6.273 ( 1.715 -0.954 -5.281) 5.634 6.273 ( 1.715 0.954 -5.281) 5.634 6.426 ( -3.634 -3.755 -0.001) 5.225 6.426 ( -3.634 3.755 -0.001) 5.225 6.498 ( -1.539 -2.844 -1.057) 3.402 6.498 ( -1.539 2.844 -1.057) 3.402 6.722 ( -1.882 -4.031 1.589) 4.724 6.722 ( -1.882 4.031 1.589) 4.724 7.042 ( -6.472 -3.322 -2.048) 7.557 7.042 ( -6.472 3.322 -2.048) 7.557 7.191 ( -3.885 -1.167 3.681) 5.477 7.191 ( -3.885 1.167 3.681) 5.477 7.909 ( -2.742 -6.175 2.744) 7.293 7.909 ( -2.742 6.175 2.744) 7.293 8.293 ( 2.178 -3.977 0.062) 4.535 8.293 ( 2.178 3.977 0.062) 4.535 8.459 ( 0.574 -3.758 -1.461) 4.073 8.459 ( 0.574 3.758 -1.461) 4.073 8.701 ( 1.862 -1.216 -0.297) 2.244 8.701 ( 1.862 1.216 -0.297) 2.244 11.163 ( 0.561 -1.868 -0.297) 1.973 11.163 ( 0.561 1.868 -0.297) 1.973 11.333 ( 0.309 -1.735 -2.052) 2.705 11.333 ( 0.309 1.735 -2.052) 2.705 11.453 ( -1.070 -1.030 3.680) 3.968 11.453 ( -1.070 1.030 3.680) 3.968 11.517 ( 0.200 -2.633 -0.729) 2.740 11.517 ( 0.200 2.633 -0.729) 2.740 11.758 ( -0.690 -3.022 -0.538) 3.147 11.758 ( -0.690 3.022 -0.538) 3.147 11.965 ( 1.207 -4.568 -1.637) 5.000 11.965 ( 1.207 4.568 -1.637) 5.000 16.495 ( -0.264 -2.112 0.069) 2.129 16.495 ( -0.264 2.112 0.069) 2.129 16.598 ( -0.292 -1.286 -0.269) 1.346 16.598 ( -0.292 1.286 -0.269) 1.346 23.196 ( 1.828 -2.717 -0.154) 3.279 23.196 ( 1.828 2.717 -0.154) 3.279 23.847 ( 3.879 -2.949 2.488) 5.471 23.847 ( 3.879 2.949 2.488) 5.471 24.496 ( -3.252 -2.631 3.114) 5.215 24.496 ( -3.252 2.631 3.114) 5.215 25.138 ( 0.798 -1.148 2.897) 3.217 25.138 ( 0.798 1.148 2.897) 3.217 25.964 ( 4.401 -1.836 -5.743) 7.465 25.964 ( 4.401 1.836 -5.743) 7.465 26.565 ( -8.601 -7.984 -1.304) 11.808 26.565 ( -8.601 7.984 -1.304) 11.808 ======================= Grid point 117 (60/128) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 0.465 -4.564 0.796) 4.656 2.033 ( 0.465 4.564 0.796) 4.656 2.284 ( -4.293 -7.769 13.594) 16.235 2.284 ( -4.293 7.770 13.594) 16.235 2.510 ( 3.547 -7.535 5.969) 10.246 2.510 ( 3.547 7.535 5.969) 10.246 2.719 ( -0.338 -0.618 -1.595) 1.744 2.719 ( -0.338 0.618 -1.595) 1.744 3.147 ( 1.947 -1.046 0.900) 2.387 3.147 ( 1.947 1.046 0.900) 2.387 3.377 ( -3.485 -2.389 -0.758) 4.293 3.377 ( -3.485 2.389 -0.758) 4.293 3.649 ( 5.835 -3.291 2.527) 7.160 3.649 ( 5.835 3.291 2.527) 7.160 3.865 ( -2.203 -9.035 0.030) 9.300 3.865 ( -2.203 9.035 0.030) 9.300 4.001 ( 3.369 -4.023 -3.099) 6.094 4.001 ( 3.369 4.023 -3.099) 6.094 4.194 ( -4.121 -2.830 -0.148) 5.002 4.194 ( -4.121 2.830 -0.148) 5.002 4.416 ( 1.126 -6.375 1.054) 6.559 4.416 ( 1.126 6.375 1.054) 6.559 4.499 ( -0.742 -4.542 -3.955) 6.068 4.499 ( -0.742 4.542 -3.955) 6.068 4.898 ( -4.161 -4.781 -5.851) 8.626 4.898 ( -4.161 4.781 -5.851) 8.626 5.061 ( -0.823 -2.374 1.289) 2.824 5.061 ( -0.823 2.374 1.289) 2.824 5.106 ( -2.481 -7.235 1.894) 7.880 5.106 ( -2.481 7.235 1.894) 7.880 5.675 ( 2.396 -4.942 -7.460) 9.263 5.675 ( 2.396 4.942 -7.460) 9.263 5.863 ( 1.724 -5.648 0.579) 5.934 5.863 ( 1.724 5.648 0.579) 5.934 6.091 ( -1.644 -3.186 0.648) 3.643 6.091 ( -1.644 3.186 0.648) 3.643 6.205 ( -1.879 -3.421 -3.702) 5.379 6.205 ( -1.879 3.421 -3.702) 5.379 6.386 ( 1.831 -4.095 0.598) 4.525 6.386 ( 1.831 4.095 0.598) 4.525 6.524 ( 3.364 -5.064 -0.726) 6.123 6.524 ( 3.364 5.064 -0.726) 6.123 6.683 ( -1.572 -4.451 -1.812) 5.056 6.683 ( -1.572 4.451 -1.812) 5.056 7.031 ( 3.091 -2.863 6.853) 8.044 7.031 ( 3.091 2.863 6.853) 8.044 7.185 ( -0.077 -1.177 2.815) 3.052 7.185 ( -0.077 1.177 2.815) 3.052 7.915 ( -0.757 -6.018 4.328) 7.451 7.915 ( -0.757 6.018 4.328) 7.451 8.297 ( -0.885 -0.458 -1.223) 1.578 8.297 ( -0.885 0.458 -1.223) 1.578 8.462 ( 0.876 -4.553 -1.276) 4.809 8.462 ( 0.876 4.553 -1.276) 4.809 8.697 ( -0.791 -1.704 -2.094) 2.813 8.697 ( -0.791 1.704 -2.094) 2.813 11.165 ( 0.101 -2.370 -0.245) 2.385 11.165 ( 0.101 2.370 -0.245) 2.385 11.313 ( 0.265 -1.845 -2.980) 3.515 11.313 ( 0.265 1.845 -2.980) 3.515 11.451 ( -2.307 -1.154 2.271) 3.437 11.451 ( -2.307 1.154 2.271) 3.437 11.527 ( 0.923 -2.913 0.745) 3.145 11.527 ( 0.923 2.913 0.745) 3.145 11.751 ( 0.269 -2.257 -0.327) 2.296 11.751 ( 0.269 2.257 -0.327) 2.296 11.965 ( 0.746 -4.515 -2.133) 5.049 11.965 ( 0.746 4.515 -2.133) 5.049 16.494 ( 0.063 -2.111 0.227) 2.124 16.494 ( 0.063 2.111 0.227) 2.124 16.591 ( 0.005 -1.338 -0.467) 1.417 16.591 ( 0.005 1.338 -0.467) 1.417 23.223 ( 0.609 -1.907 0.794) 2.153 23.223 ( 0.609 1.907 0.794) 2.153 23.903 ( -0.530 -3.697 3.121) 4.867 23.903 ( -0.530 3.697 3.121) 4.867 24.492 ( -1.160 -2.129 4.025) 4.699 24.492 ( -1.160 2.129 4.025) 4.699 25.221 ( 1.823 -1.705 8.836) 9.182 25.221 ( 1.823 1.705 8.836) 9.182 25.963 ( 2.714 -1.947 -7.895) 8.572 25.963 ( 2.714 1.947 -7.895) 8.572 26.413 ( -3.444 -8.444 -6.647) 11.284 26.413 ( -3.444 8.444 -6.647) 11.284 ======================= Grid point 119 (61/128) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -7.030 -6.986 0.927) 9.954 1.974 ( -7.030 6.986 0.927) 9.954 2.332 ( -6.666 -9.262 14.773) 18.667 2.332 ( -6.666 9.262 14.773) 18.667 2.620 ( 1.445 -6.641 4.694) 8.259 2.620 ( 1.445 6.641 4.694) 8.259 2.783 ( 8.051 -2.108 0.417) 8.332 2.783 ( 8.051 2.108 0.417) 8.332 3.164 ( -1.514 -3.329 0.830) 3.750 3.164 ( -1.514 3.329 0.830) 3.750 3.327 ( -1.041 -2.918 -0.107) 3.100 3.327 ( -1.041 2.918 -0.107) 3.100 3.757 ( 2.050 -2.566 0.730) 3.364 3.757 ( 2.050 2.566 0.730) 3.364 3.799 ( -4.386 -9.730 2.542) 10.971 3.799 ( -4.386 9.730 2.542) 10.971 4.019 ( -0.011 -2.227 -1.612) 2.750 4.019 ( -0.011 2.227 -1.612) 2.750 4.158 ( 2.537 -2.078 -1.366) 3.553 4.158 ( 2.537 2.078 -1.366) 3.553 4.352 ( -6.842 -4.494 -2.024) 8.433 4.352 ( -6.842 4.494 -2.024) 8.433 4.532 ( 5.914 -1.229 -3.793) 7.132 4.532 ( 5.914 1.229 -3.793) 7.132 4.709 ( -7.914 -7.027 -5.372) 11.869 4.709 ( -7.914 7.027 -5.372) 11.869 5.003 ( -6.303 -2.433 0.149) 6.757 5.003 ( -6.303 2.433 0.149) 6.757 5.089 ( -1.089 -6.331 2.201) 6.791 5.089 ( -1.089 6.331 2.201) 6.791 5.595 ( -2.358 -1.785 -6.322) 6.979 5.595 ( -2.358 1.785 -6.322) 6.979 5.901 ( 1.520 -7.432 1.432) 7.720 5.901 ( 1.520 7.432 1.432) 7.720 6.019 ( -2.848 -3.839 0.367) 4.794 6.019 ( -2.848 3.839 0.367) 4.794 6.202 ( 3.714 -4.332 -5.637) 8.021 6.202 ( 3.714 4.332 -5.637) 8.021 6.407 ( -2.072 -3.861 0.518) 4.412 6.407 ( -2.072 3.861 0.518) 4.412 6.586 ( 3.768 -2.555 -1.006) 4.663 6.586 ( 3.768 2.555 -1.006) 4.663 6.660 ( 1.246 -3.277 -0.394) 3.527 6.660 ( 1.246 3.277 -0.394) 3.527 7.127 ( -1.019 -2.247 4.057) 4.748 7.127 ( -1.019 2.247 4.057) 4.748 7.351 ( 14.186 -5.954 5.007) 16.179 7.351 ( 14.186 5.954 5.007) 16.179 7.962 ( 0.374 -5.654 6.238) 8.427 7.962 ( 0.374 5.654 6.238) 8.427 8.244 ( -2.962 -1.442 -2.336) 4.038 8.244 ( -2.962 1.442 -2.336) 4.038 8.460 ( 1.052 -4.076 -2.200) 4.750 8.460 ( 1.052 4.076 -2.200) 4.750 8.652 ( -1.439 -2.970 -1.707) 3.715 8.652 ( -1.439 2.970 -1.707) 3.715 11.164 ( -0.018 -3.113 0.042) 3.114 11.164 ( -0.018 3.113 0.042) 3.114 11.291 ( 0.879 -2.688 -3.335) 4.372 11.291 ( 0.879 2.688 -3.335) 4.372 11.425 ( -2.656 -0.870 1.840) 3.346 11.425 ( -2.656 0.870 1.840) 3.346 11.548 ( -0.114 -2.896 1.363) 3.203 11.548 ( -0.114 2.896 1.363) 3.203 11.753 ( 0.373 -2.532 -0.882) 2.707 11.753 ( 0.373 2.532 -0.882) 2.707 11.952 ( 0.372 -4.145 -2.139) 4.679 11.952 ( 0.372 4.145 -2.139) 4.679 16.501 ( 0.381 -1.675 0.345) 1.752 16.501 ( 0.381 1.675 0.345) 1.752 16.588 ( 0.244 -1.161 -0.622) 1.340 16.588 ( 0.244 1.161 -0.622) 1.340 23.227 ( -1.181 -1.997 0.757) 2.441 23.227 ( -1.181 1.997 0.757) 2.441 23.891 ( -4.522 -2.924 3.644) 6.502 23.891 ( -4.522 2.924 3.644) 6.502 24.524 ( 0.099 -0.972 4.175) 4.287 24.524 ( 0.099 0.972 4.175) 4.287 25.349 ( -0.288 -1.356 12.071) 12.150 25.349 ( -0.288 1.356 12.071) 12.150 25.915 ( 1.586 -2.310 -8.206) 8.672 25.915 ( 1.586 2.310 -8.206) 8.672 26.340 ( 5.165 -6.311 -9.954) 12.868 26.340 ( 5.165 6.311 -9.954) 12.868 ======================= Grid point 121 (62/128) ======================= q-point: (-0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -9.229 -7.405 1.777) 11.965 1.835 ( -9.229 7.405 1.777) 11.965 2.306 ( -10.100 -7.333 10.777) 16.490 2.306 ( -10.100 7.333 10.777) 16.490 2.683 ( 1.804 -4.339 2.177) 5.179 2.683 ( 1.804 4.339 2.177) 5.179 2.901 ( 2.001 -1.054 -0.611) 2.342 2.901 ( 2.001 1.054 -0.611) 2.342 3.088 ( -4.991 -6.512 -2.287) 8.518 3.088 ( -4.991 6.512 -2.287) 8.518 3.358 ( 1.654 -2.693 3.894) 5.015 3.358 ( 1.654 2.693 3.894) 5.015 3.682 ( -5.479 -7.022 2.319) 9.204 3.682 ( -5.479 7.022 2.319) 9.204 3.806 ( -5.319 -10.764 2.347) 12.234 3.806 ( -5.319 10.764 2.347) 12.234 3.986 ( -1.143 -3.925 -3.424) 5.333 3.986 ( -1.143 3.925 -3.424) 5.333 4.177 ( -2.626 -3.610 -2.237) 4.994 4.177 ( -2.626 3.610 -2.237) 4.994 4.225 ( 0.449 -1.834 1.737) 2.565 4.225 ( 0.449 1.834 1.737) 2.565 4.547 ( 1.808 -8.223 -6.047) 10.366 4.547 ( 1.808 8.223 -6.047) 10.366 4.656 ( 4.453 -5.011 -0.016) 6.703 4.656 ( 4.453 5.011 -0.016) 6.703 4.868 ( -6.881 -3.660 1.053) 7.864 4.868 ( -6.881 3.660 1.053) 7.864 5.127 ( 2.832 -6.037 1.572) 6.851 5.127 ( 2.832 6.037 1.572) 6.851 5.505 ( -2.106 -3.512 -4.701) 6.234 5.505 ( -2.106 3.512 -4.701) 6.234 5.948 ( 1.338 -7.355 0.850) 7.524 5.948 ( 1.338 7.355 0.850) 7.524 5.997 ( 0.728 -3.899 -0.993) 4.089 5.997 ( 0.728 3.899 -0.993) 4.089 6.202 ( 3.087 -5.397 -6.640) 9.096 6.202 ( 3.087 5.397 -6.640) 9.096 6.332 ( -5.485 -2.467 0.682) 6.053 6.332 ( -5.485 2.467 0.682) 6.053 6.621 ( 1.052 -1.270 0.063) 1.650 6.621 ( 1.052 1.270 0.063) 1.650 6.712 ( 1.971 -2.930 2.460) 4.304 6.712 ( 1.971 2.930 2.460) 4.304 7.140 ( 1.054 -2.062 -0.593) 2.391 7.140 ( 1.054 2.062 -0.593) 2.391 7.625 ( 8.884 -9.385 3.722) 13.448 7.625 ( 8.884 9.385 3.722) 13.448 8.027 ( -1.454 -1.162 4.213) 4.606 8.027 ( -1.454 1.162 4.213) 4.606 8.180 ( 0.448 -2.131 -1.293) 2.533 8.180 ( 0.448 2.131 -1.293) 2.533 8.480 ( 3.877 -3.026 -1.199) 5.062 8.480 ( 3.877 3.026 -1.199) 5.062 8.629 ( 0.394 -2.304 -0.491) 2.388 8.629 ( 0.394 2.304 -0.491) 2.388 11.165 ( -0.445 -4.024 0.949) 4.158 11.165 ( -0.445 4.024 0.949) 4.158 11.280 ( 1.111 -3.877 -3.050) 5.057 11.280 ( 1.111 3.877 -3.050) 5.057 11.395 ( -2.071 -2.003 1.253) 3.142 11.395 ( -2.071 2.003 1.253) 3.142 11.544 ( -1.855 -2.972 1.610) 3.856 11.544 ( -1.855 2.972 1.610) 3.856 11.736 ( -0.945 -0.558 -1.838) 2.140 11.736 ( -0.945 0.558 -1.838) 2.140 11.947 ( 1.233 -1.788 -1.567) 2.679 11.947 ( 1.233 1.788 -1.567) 2.679 16.514 ( 0.676 -0.893 0.354) 1.175 16.514 ( 0.676 0.893 0.354) 1.175 16.587 ( 0.333 -0.675 -0.640) 0.988 16.587 ( 0.333 0.675 -0.640) 0.988 23.190 ( -3.130 -2.337 -0.327) 3.920 23.190 ( -3.130 2.337 -0.327) 3.920 23.808 ( -8.873 -1.262 3.844) 9.752 23.808 ( -8.873 1.262 3.844) 9.752 24.570 ( 0.858 -2.401 3.282) 4.156 24.570 ( 0.858 2.401 3.282) 4.156 25.388 ( -5.669 -2.709 5.928) 8.638 25.388 ( -5.669 2.709 5.928) 8.638 25.907 ( 4.458 -5.445 -4.046) 8.118 25.907 ( 4.458 5.445 -4.046) 8.118 26.423 ( 13.250 -2.774 -6.750) 15.127 26.423 ( 13.250 2.774 -6.750) 15.127 ======================= Grid point 123 (63/128) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -8.664 -5.792 2.641) 10.751 1.693 ( -8.664 5.792 2.641) 10.751 2.167 ( -14.332 -1.738 5.439) 15.427 2.167 ( -14.332 1.738 5.439) 15.427 2.713 ( 0.107 -4.591 -1.538) 4.842 2.713 ( 0.107 4.591 -1.538) 4.842 2.814 ( -6.403 -5.713 -0.544) 8.599 2.814 ( -6.403 5.713 -0.544) 8.599 3.006 ( -2.579 -11.968 -2.021) 12.408 3.006 ( -2.579 11.968 -2.021) 12.408 3.415 ( -1.119 -3.089 4.859) 5.865 3.415 ( -1.119 3.089 4.859) 5.865 3.607 ( -8.935 -5.841 3.484) 11.229 3.607 ( -8.935 5.841 3.484) 11.229 3.653 ( -5.884 -11.072 -2.666) 12.819 3.653 ( -5.884 11.072 -2.666) 12.819 3.925 ( -0.108 -3.364 -4.039) 5.257 3.925 ( -0.108 3.364 -4.039) 5.257 4.193 ( 2.881 -4.171 -0.311) 5.079 4.193 ( 2.881 4.171 -0.311) 5.079 4.286 ( 1.600 -2.373 4.449) 5.290 4.286 ( 1.600 2.373 4.449) 5.290 4.562 ( 4.485 -7.892 0.682) 9.103 4.562 ( 4.485 7.892 0.682) 9.103 4.733 ( 3.271 -3.551 -3.448) 5.933 4.733 ( 3.271 3.551 -3.448) 5.933 4.866 ( 4.724 -3.890 4.851) 7.809 4.866 ( 4.724 3.890 4.851) 7.809 5.193 ( 2.952 -5.518 -0.704) 6.298 5.193 ( 2.952 5.518 -0.704) 6.298 5.406 ( -3.351 -6.029 -4.759) 8.380 5.406 ( -3.351 6.029 -4.759) 8.380 5.921 ( -1.934 -5.837 -2.712) 6.721 5.921 ( -1.934 5.837 -2.712) 6.721 6.036 ( 2.354 -2.886 -0.022) 3.724 6.036 ( 2.354 2.886 -0.022) 3.724 6.188 ( -1.052 -3.785 -1.178) 4.102 6.188 ( -1.052 3.785 -1.178) 4.102 6.285 ( 0.935 -3.180 0.883) 3.430 6.285 ( 0.935 3.180 0.883) 3.430 6.618 ( -2.469 -2.173 2.550) 4.162 6.618 ( -2.469 2.173 2.550) 4.162 6.774 ( 2.679 -4.196 1.794) 5.292 6.774 ( 2.679 4.196 1.794) 5.292 7.143 ( 0.882 -1.285 -3.089) 3.460 7.143 ( 0.882 1.285 -3.089) 3.460 7.720 ( -0.828 -12.151 2.068) 12.353 7.720 ( -0.828 12.151 2.068) 12.353 7.981 ( -2.723 -1.694 0.063) 3.208 7.981 ( -2.723 1.694 0.063) 3.208 8.216 ( 1.401 -3.643 -0.626) 3.953 8.216 ( 1.401 3.643 -0.626) 3.953 8.551 ( 2.497 -3.069 -0.913) 4.060 8.551 ( 2.497 3.069 -0.913) 4.060 8.705 ( 9.815 -6.289 -0.368) 11.663 8.705 ( 9.815 6.289 -0.368) 11.663 11.157 ( -2.461 -4.574 1.301) 5.355 11.157 ( -2.461 4.574 1.301) 5.355 11.256 ( -0.814 -2.632 -1.896) 3.344 11.256 ( -0.814 2.632 -1.896) 3.344 11.388 ( 0.251 -2.198 0.533) 2.275 11.388 ( 0.251 2.198 0.533) 2.275 11.523 ( -2.138 -2.189 2.665) 4.058 11.523 ( -2.138 2.189 2.665) 4.058 11.694 ( -1.476 -1.062 -1.593) 2.418 11.694 ( -1.476 1.062 -1.593) 2.418 11.965 ( 2.083 -0.705 -1.166) 2.490 11.965 ( 2.083 0.705 -1.166) 2.490 16.530 ( 0.770 -0.589 0.146) 0.981 16.530 ( 0.770 0.589 0.146) 0.981 16.589 ( 0.370 -0.323 -0.323) 0.588 16.589 ( 0.370 0.323 -0.323) 0.588 23.110 ( -4.549 -2.685 -1.463) 5.481 23.110 ( -4.549 2.685 -1.463) 5.481 23.654 ( -11.420 -2.238 2.940) 12.003 23.654 ( -11.420 2.238 2.940) 12.003 24.616 ( 1.105 -4.073 2.523) 4.917 24.616 ( 1.105 4.073 2.523) 4.917 25.302 ( -5.525 -2.933 -0.074) 6.256 25.302 ( -5.525 2.933 -0.074) 6.256 25.960 ( 4.693 -9.450 -3.919) 11.255 25.960 ( 4.693 9.450 -3.919) 11.255 26.667 ( 15.783 -0.936 0.721) 15.827 26.667 ( 15.783 0.936 0.721) 15.827 ======================= Grid point 125 (64/128) ======================= q-point: (-0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -5.520 -10.057 3.165) 11.901 1.588 ( -5.520 10.057 3.165) 11.901 1.940 ( -13.858 -15.069 4.672) 20.999 1.940 ( -13.858 15.069 4.672) 20.999 2.627 ( -3.240 -2.610 -4.957) 6.471 2.627 ( -3.240 2.610 -4.957) 6.471 2.782 ( 0.159 -3.904 1.020) 4.038 2.782 ( 0.159 3.904 1.020) 4.038 2.950 ( -3.137 -18.600 1.526) 18.924 2.950 ( -3.137 18.600 1.526) 18.924 3.344 ( -5.548 -11.301 -4.873) 13.500 3.344 ( -5.548 11.301 -4.873) 13.500 3.515 ( -6.123 -6.704 6.935) 11.425 3.515 ( -6.123 6.704 6.935) 11.425 3.574 ( 0.899 -1.653 -5.689) 5.992 3.574 ( 0.899 1.653 -5.689) 5.992 3.915 ( 1.470 -1.379 -0.930) 2.220 3.915 ( 1.470 1.379 -0.930) 2.220 4.190 ( -0.676 -2.554 -4.330) 5.072 4.190 ( -0.676 2.554 -4.330) 5.072 4.350 ( -0.375 -1.217 6.022) 6.155 4.350 ( -0.375 1.217 6.022) 6.155 4.698 ( 4.564 -1.736 0.075) 4.884 4.698 ( 4.564 1.736 0.075) 4.884 4.775 ( 6.847 -4.719 1.253) 8.410 4.775 ( 6.847 4.719 1.253) 8.410 4.999 ( 1.752 -4.657 0.261) 4.982 4.999 ( 1.752 4.657 0.261) 4.982 5.196 ( 1.770 -1.241 -0.147) 2.167 5.196 ( 1.770 1.241 -0.147) 2.167 5.367 ( 1.735 -3.396 0.904) 3.919 5.367 ( 1.735 3.396 0.904) 3.919 5.852 ( -3.366 -4.425 -1.365) 5.725 5.852 ( -3.366 4.425 -1.365) 5.725 6.055 ( -0.440 -2.252 0.797) 2.429 6.055 ( -0.440 2.252 0.797) 2.429 6.176 ( -0.209 -2.410 2.481) 3.465 6.176 ( -0.209 2.410 2.481) 3.465 6.333 ( 1.350 -3.493 0.583) 3.790 6.333 ( 1.350 3.493 0.583) 3.790 6.622 ( 0.913 -3.179 2.978) 4.450 6.622 ( 0.913 3.179 2.978) 4.450 6.822 ( 0.230 -3.809 1.419) 4.071 6.822 ( 0.230 3.809 1.419) 4.071 7.116 ( 0.333 -2.500 -3.195) 4.070 7.116 ( 0.333 2.500 -3.195) 4.070 7.666 ( -5.314 -14.270 0.265) 15.229 7.666 ( -5.314 14.270 0.265) 15.229 7.975 ( 1.806 -0.242 -0.241) 1.838 7.975 ( 1.806 0.242 -0.241) 1.838 8.203 ( -1.452 -3.398 -0.831) 3.787 8.203 ( -1.452 3.398 -0.831) 3.787 8.558 ( 0.671 -1.640 -2.049) 2.708 8.558 ( 0.671 1.640 -2.049) 2.708 8.875 ( 9.795 -5.043 -6.566) 12.825 8.875 ( 9.795 5.043 -6.566) 12.825 11.086 ( -4.635 -3.541 -0.542) 5.858 11.086 ( -4.635 3.541 -0.542) 5.858 11.249 ( -0.005 -0.720 2.006) 2.132 11.249 ( -0.005 0.720 2.006) 2.132 11.396 ( -0.295 -1.373 0.652) 1.548 11.396 ( -0.295 1.373 0.652) 1.548 11.538 ( -0.097 -1.574 3.998) 4.298 11.538 ( -0.097 1.574 3.998) 4.298 11.658 ( -0.994 -0.690 -1.082) 1.623 11.658 ( -0.994 0.690 -1.082) 1.623 11.996 ( 2.112 -0.713 -0.284) 2.247 11.996 ( 2.112 0.713 -0.284) 2.247 16.542 ( 0.523 -1.121 -0.138) 1.244 16.542 ( 0.523 1.121 -0.138) 1.244 16.595 ( 0.328 -0.775 0.175) 0.860 16.595 ( 0.328 0.775 0.175) 0.860 23.023 ( -3.017 -3.962 -0.555) 5.011 23.023 ( -3.017 3.962 -0.555) 5.011 23.481 ( -9.048 -4.785 0.786) 10.266 23.481 ( -9.048 4.785 0.786) 10.266 24.655 ( 0.383 -4.765 2.520) 5.404 24.655 ( 0.383 4.765 2.520) 5.404 25.219 ( -2.572 -2.095 -1.406) 3.603 25.219 ( -2.572 2.095 -1.406) 3.603 25.985 ( 3.441 -12.547 -6.228) 14.424 25.985 ( 3.441 12.547 -6.228) 14.424 26.941 ( 10.231 -3.267 4.324) 11.578 26.941 ( 10.231 3.267 4.324) 11.578 ======================= Grid point 147 (65/128) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -3.199 0.000 26.248) 26.442 1.233 ( -1.707 0.000 26.409) 26.464 1.955 ( -5.467 0.000 39.212) 39.591 2.182 ( 1.014 0.000 -19.676) 19.702 2.265 ( 2.264 0.000 -16.108) 16.266 2.491 ( 12.159 0.000 8.083) 14.600 2.678 ( -1.678 0.000 0.301) 1.705 2.766 ( 3.145 0.000 6.430) 7.157 2.926 ( 3.646 0.000 -0.320) 3.660 2.982 ( -11.114 0.000 -0.172) 11.116 3.134 ( 0.930 0.000 2.630) 2.790 3.159 ( 3.274 0.000 0.333) 3.290 3.283 ( -0.068 0.000 -3.866) 3.866 3.349 ( -12.250 0.000 -4.392) 13.013 3.562 ( 1.798 0.000 -7.168) 7.390 3.659 ( 4.853 0.000 -19.442) 20.039 3.852 ( -4.059 0.000 -5.266) 6.649 3.859 ( 6.529 0.000 -6.113) 8.944 4.211 ( -1.776 0.000 1.491) 2.318 4.388 ( 2.643 0.000 -2.940) 3.953 4.417 ( -7.429 0.000 2.354) 7.793 4.576 ( 5.709 0.000 0.872) 5.775 4.615 ( -6.135 0.000 0.249) 6.140 4.709 ( -0.883 0.000 -8.399) 8.446 4.884 ( -5.778 0.000 1.741) 6.034 4.900 ( 4.392 0.000 2.100) 4.868 5.161 ( -5.697 0.000 0.818) 5.756 5.231 ( 6.939 0.000 -2.363) 7.331 5.335 ( -3.629 0.000 0.733) 3.702 5.484 ( 4.364 0.000 -5.438) 6.973 5.674 ( 2.193 0.000 5.540) 5.959 5.765 ( -0.385 0.000 4.868) 4.883 5.779 ( -1.546 0.000 3.985) 4.274 5.821 ( 1.729 0.000 0.894) 1.946 5.897 ( 0.145 0.000 -4.007) 4.009 6.005 ( -1.680 0.000 -4.163) 4.489 6.141 ( -4.029 0.000 6.399) 7.562 6.193 ( 4.183 0.000 5.273) 6.731 6.246 ( 2.388 0.000 -0.819) 2.525 6.405 ( 0.663 0.000 5.988) 6.025 6.423 ( 2.712 0.000 -0.766) 2.818 6.599 ( -3.054 0.000 -2.769) 4.122 6.787 ( -0.129 0.000 -1.106) 1.113 6.798 ( -4.868 0.000 -1.605) 5.126 7.021 ( -4.254 0.000 3.895) 5.768 7.147 ( 15.080 0.000 -3.158) 15.407 7.401 ( 15.341 0.000 12.399) 19.725 7.793 ( -25.393 0.000 -3.048) 25.575 7.818 ( 0.119 0.000 2.908) 2.910 7.955 ( 0.579 0.000 -1.969) 2.052 8.263 ( 2.245 0.000 -1.323) 2.606 8.363 ( -2.555 0.000 -6.068) 6.584 8.482 ( -1.265 0.000 4.204) 4.390 8.670 ( 4.905 0.000 -1.178) 5.044 8.716 ( -3.878 0.000 -1.795) 4.274 8.822 ( 3.930 0.000 -10.940) 11.625 10.881 ( 2.443 0.000 1.201) 2.723 10.924 ( -1.061 0.000 -0.716) 1.280 11.187 ( -1.469 0.000 5.421) 5.617 11.339 ( -0.357 0.000 -1.902) 1.935 11.475 ( -1.258 0.000 1.542) 1.990 11.498 ( 2.450 0.000 -0.016) 2.450 11.594 ( 0.139 0.000 1.397) 1.404 11.602 ( -1.226 0.000 0.162) 1.237 11.713 ( -2.798 0.000 0.837) 2.921 11.773 ( 1.293 0.000 -1.618) 2.072 11.920 ( -2.129 0.000 0.430) 2.172 11.925 ( 1.712 0.000 0.090) 1.715 16.521 ( 0.850 0.000 -0.036) 0.851 16.526 ( -1.082 0.000 -0.292) 1.121 16.609 ( 0.112 0.000 0.318) 0.337 16.610 ( 0.288 0.000 0.248) 0.380 22.933 ( 12.545 0.000 1.420) 12.626 23.024 ( -4.518 0.000 -2.243) 5.044 23.297 ( 4.527 0.000 4.576) 6.436 23.501 ( -4.536 0.000 -4.395) 6.316 24.527 ( -2.259 0.000 0.857) 2.416 24.555 ( 0.615 0.000 0.052) 0.617 24.999 ( -4.428 0.000 8.193) 9.313 25.334 ( 5.042 0.000 -6.469) 8.202 25.432 ( 0.346 0.000 14.178) 14.183 26.177 ( 0.188 0.000 -18.114) 18.115 27.195 ( 4.345 0.000 8.047) 9.145 27.509 ( -10.416 0.000 -6.006) 12.024 ======================= Grid point 148 (66/128) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 5.387 0.000 24.107) 24.701 1.522 ( 5.737 0.000 22.956) 23.662 2.062 ( 6.718 0.000 -21.866) 22.875 2.153 ( 8.171 0.000 -19.231) 20.895 2.421 ( 9.183 0.000 36.017) 37.169 2.514 ( -10.577 0.000 -8.965) 13.865 2.747 ( 7.868 0.000 2.638) 8.299 2.859 ( 1.107 0.000 4.875) 4.999 2.904 ( 3.398 0.000 2.075) 3.982 3.080 ( 8.884 0.000 2.934) 9.356 3.171 ( 6.554 0.000 -7.440) 9.915 3.236 ( -0.758 0.000 2.606) 2.714 3.253 ( 3.909 0.000 5.584) 6.816 3.270 ( 4.622 0.000 -6.443) 7.929 3.548 ( 3.876 0.000 -2.262) 4.488 3.579 ( 7.606 0.000 -18.235) 19.758 3.781 ( 2.304 0.000 -5.133) 5.626 3.911 ( 4.530 0.000 -2.925) 5.393 4.187 ( -2.928 0.000 1.969) 3.528 4.245 ( -8.168 0.000 -1.410) 8.289 4.415 ( -2.680 0.000 6.091) 6.654 4.469 ( -7.543 0.000 -2.439) 7.927 4.603 ( -4.311 0.000 -5.673) 7.126 4.677 ( 2.150 0.000 3.403) 4.025 4.770 ( -9.079 0.000 2.084) 9.315 4.955 ( -10.154 0.000 0.454) 10.165 5.006 ( -0.705 0.000 1.228) 1.416 5.287 ( 2.176 0.000 -0.817) 2.325 5.302 ( -1.906 0.000 2.547) 3.181 5.514 ( 3.299 0.000 -4.498) 5.578 5.683 ( -4.969 0.000 -0.903) 5.050 5.740 ( -0.779 0.000 5.437) 5.493 5.784 ( -4.305 0.000 1.488) 4.555 5.796 ( -3.912 0.000 -3.657) 5.355 5.922 ( 2.327 0.000 1.087) 2.569 5.964 ( 0.373 0.000 0.284) 0.468 6.171 ( 1.607 0.000 1.441) 2.159 6.241 ( -0.214 0.000 -4.164) 4.170 6.295 ( 0.930 0.000 5.385) 5.465 6.445 ( -0.554 0.000 -0.700) 0.893 6.520 ( 4.721 0.000 7.734) 9.061 6.581 ( 4.794 0.000 -3.788) 6.110 6.737 ( 0.730 0.000 -1.871) 2.009 6.790 ( -0.187 0.000 2.894) 2.900 6.951 ( -4.168 0.000 -1.969) 4.610 7.159 ( -15.453 0.000 0.661) 15.467 7.450 ( 1.809 0.000 -12.057) 12.192 7.640 ( -5.182 0.000 10.654) 11.848 7.914 ( -3.335 0.000 -0.366) 3.355 8.034 ( 19.217 0.000 8.532) 21.026 8.250 ( -2.032 0.000 -1.114) 2.318 8.272 ( -2.474 0.000 -4.673) 5.287 8.503 ( -1.165 0.000 5.181) 5.310 8.656 ( 0.211 0.000 -2.650) 2.658 8.698 ( -0.311 0.000 -6.120) 6.128 8.832 ( 4.881 0.000 -3.956) 6.283 10.911 ( 1.283 0.000 -1.991) 2.368 10.958 ( 4.718 0.000 0.723) 4.773 11.214 ( -0.983 0.000 4.775) 4.876 11.313 ( -0.572 0.000 -1.475) 1.582 11.452 ( -2.734 0.000 0.851) 2.863 11.514 ( -0.581 0.000 -0.216) 0.620 11.580 ( -1.554 0.000 0.815) 1.754 11.594 ( -1.407 0.000 1.127) 1.803 11.687 ( -0.901 0.000 1.045) 1.380 11.770 ( -0.027 0.000 -0.459) 0.460 11.909 ( 1.661 0.000 -0.655) 1.786 11.937 ( -1.324 0.000 0.068) 1.326 16.500 ( -1.585 0.000 -0.195) 1.597 16.534 ( 0.482 0.000 0.209) 0.525 16.611 ( -0.039 0.000 0.006) 0.040 16.616 ( 0.148 0.000 -0.014) 0.149 22.977 ( 2.841 0.000 -3.362) 4.401 23.197 ( 14.927 0.000 -3.146) 15.255 23.408 ( -0.584 0.000 -4.881) 4.915 23.498 ( 12.772 0.000 2.571) 13.028 24.522 ( 0.158 0.000 1.858) 1.865 24.584 ( 2.551 0.000 0.312) 2.570 24.991 ( -4.365 0.000 7.206) 8.425 25.358 ( 4.340 0.000 -7.085) 8.309 25.575 ( -0.916 0.000 15.179) 15.206 25.964 ( -3.578 0.000 -17.909) 18.263 27.180 ( -19.852 0.000 -0.972) 19.876 27.291 ( -3.008 0.000 8.816) 9.315 ======================= Grid point 149 (67/128) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 9.258 0.000 18.602) 20.778 1.829 ( 6.117 0.000 14.737) 15.956 1.931 ( 1.243 0.000 -18.934) 18.975 2.151 ( 11.373 0.000 -15.901) 19.550 2.362 ( 3.944 0.000 -4.637) 6.087 2.789 ( 2.278 0.000 6.050) 6.465 2.883 ( -2.519 0.000 1.941) 3.180 2.953 ( 10.076 0.000 7.409) 12.506 3.031 ( 6.571 0.000 1.447) 6.728 3.086 ( 0.312 0.000 -10.055) 10.060 3.237 ( 1.077 0.000 8.540) 8.608 3.294 ( 0.100 0.000 5.751) 5.752 3.364 ( 14.952 0.000 -8.423) 17.162 3.427 ( 8.938 0.000 4.486) 10.000 3.597 ( 11.399 0.000 -12.709) 17.072 3.703 ( 6.644 0.000 -0.013) 6.644 3.854 ( 10.863 0.000 0.690) 10.885 3.988 ( 4.422 0.000 2.708) 5.185 4.155 ( -0.166 0.000 -1.797) 1.805 4.157 ( 0.064 0.000 1.709) 1.710 4.318 ( -5.843 0.000 -2.445) 6.334 4.432 ( -9.673 0.000 -3.531) 10.297 4.436 ( -4.033 0.000 11.435) 12.126 4.625 ( -8.624 0.000 3.191) 9.195 4.672 ( -10.924 0.000 2.652) 11.241 4.728 ( -4.001 0.000 -2.153) 4.543 5.071 ( 1.251 0.000 4.290) 4.468 5.296 ( -1.861 0.000 -0.522) 1.933 5.302 ( -1.868 0.000 4.329) 4.715 5.487 ( -1.459 0.000 -3.323) 3.629 5.604 ( -0.956 0.000 -2.306) 2.497 5.653 ( -5.748 0.000 -3.606) 6.785 5.731 ( -3.099 0.000 1.581) 3.479 5.769 ( -1.596 0.000 3.517) 3.862 5.976 ( -1.876 0.000 3.310) 3.805 5.977 ( 3.611 0.000 0.431) 3.637 6.173 ( -0.810 0.000 -1.756) 1.933 6.196 ( 2.566 0.000 -9.213) 9.564 6.347 ( 0.147 0.000 2.196) 2.201 6.373 ( -4.539 0.000 -1.819) 4.890 6.654 ( 1.457 0.000 5.001) 5.209 6.664 ( 6.336 0.000 -2.565) 6.835 6.748 ( -3.068 0.000 -0.688) 3.144 6.801 ( -3.790 0.000 -1.654) 4.135 6.888 ( 0.756 0.000 4.396) 4.460 6.892 ( -4.061 0.000 -5.090) 6.512 7.406 ( 2.500 0.000 -11.058) 11.337 7.557 ( -10.920 0.000 5.628) 12.285 7.846 ( -4.567 0.000 1.746) 4.889 8.186 ( -2.203 0.000 -3.829) 4.418 8.195 ( 0.489 0.000 -3.215) 3.252 8.466 ( 12.370 0.000 8.809) 15.186 8.533 ( -1.229 0.000 4.798) 4.953 8.609 ( -2.158 0.000 -5.651) 6.049 8.695 ( 6.062 0.000 3.151) 6.832 8.837 ( -2.170 0.000 -0.327) 2.195 10.931 ( 3.380 0.000 -2.824) 4.404 11.046 ( 4.622 0.000 -0.890) 4.707 11.245 ( -0.284 0.000 3.955) 3.965 11.289 ( -0.543 0.000 -1.509) 1.604 11.404 ( -2.040 0.000 -0.863) 2.215 11.487 ( -1.861 0.000 0.120) 1.865 11.563 ( -1.601 0.000 1.142) 1.967 11.572 ( -2.219 0.000 1.519) 2.689 11.695 ( 0.254 0.000 1.081) 1.110 11.779 ( 0.875 0.000 0.616) 1.070 11.865 ( -5.606 0.000 -1.380) 5.773 11.949 ( 3.735 0.000 -2.024) 4.248 16.468 ( -1.736 0.000 0.084) 1.738 16.542 ( 0.126 0.000 0.233) 0.265 16.609 ( 0.038 0.000 -0.174) 0.178 16.614 ( -0.111 0.000 -0.392) 0.408 23.071 ( 9.614 0.000 -0.431) 9.624 23.391 ( 3.122 0.000 -3.223) 4.487 23.400 ( 10.941 0.000 -2.370) 11.195 23.750 ( 12.957 0.000 0.186) 12.959 24.562 ( 1.778 0.000 2.199) 2.828 24.659 ( 5.154 0.000 1.072) 5.264 24.991 ( -2.794 0.000 6.481) 7.058 25.320 ( -0.584 0.000 -9.819) 9.836 25.679 ( -3.126 0.000 13.247) 13.611 25.749 ( -1.488 0.000 -13.855) 13.935 26.815 ( -20.511 0.000 0.879) 20.530 27.250 ( -9.373 0.000 5.604) 10.921 ======================= Grid point 150 (68/128) ======================= q-point: ( 0.30 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 6.787 0.000 -11.597) 13.437 1.999 ( 1.779 0.000 6.480) 6.720 2.079 ( 11.411 0.000 6.399) 13.082 2.254 ( 11.351 0.000 -5.764) 12.731 2.516 ( 9.875 0.000 3.652) 10.529 2.815 ( 2.011 0.000 -4.809) 5.213 2.829 ( -2.761 0.000 -1.116) 2.978 2.934 ( -10.959 0.000 0.219) 10.961 3.012 ( 3.204 0.000 -8.252) 8.852 3.102 ( 2.014 0.000 -3.275) 3.845 3.328 ( -2.863 0.000 5.889) 6.547 3.446 ( 5.328 0.000 10.761) 12.007 3.591 ( 12.813 0.000 0.035) 12.813 3.602 ( 2.984 0.000 3.359) 4.493 3.746 ( 14.292 0.000 -5.236) 15.221 3.791 ( 7.002 0.000 -1.431) 7.147 3.995 ( 1.704 0.000 2.201) 2.783 4.049 ( -6.452 0.000 1.466) 6.616 4.162 ( 8.797 0.000 -4.945) 10.091 4.218 ( -8.483 0.000 -0.893) 8.530 4.239 ( -0.520 0.000 3.978) 4.012 4.303 ( 7.364 0.000 -2.931) 7.926 4.486 ( -2.006 0.000 3.328) 3.886 4.550 ( -4.195 0.000 5.840) 7.191 4.591 ( 4.292 0.000 9.724) 10.629 4.684 ( -1.054 0.000 0.699) 1.265 5.095 ( -4.099 0.000 4.709) 6.243 5.193 ( -5.322 0.000 -3.370) 6.299 5.320 ( -2.854 0.000 6.287) 6.904 5.450 ( -1.217 0.000 -0.717) 1.413 5.548 ( -1.691 0.000 -2.753) 3.232 5.596 ( 2.514 0.000 -3.000) 3.915 5.698 ( -2.131 0.000 1.232) 2.461 5.762 ( -1.991 0.000 2.206) 2.972 5.960 ( -4.442 0.000 3.783) 5.834 6.059 ( 2.549 0.000 2.446) 3.532 6.094 ( -3.236 0.000 -10.072) 10.579 6.135 ( 0.622 0.000 -3.934) 3.983 6.310 ( -4.155 0.000 -2.544) 4.871 6.335 ( 3.776 0.000 -3.081) 4.873 6.588 ( -6.822 0.000 0.505) 6.840 6.619 ( -6.792 0.000 0.823) 6.842 6.753 ( 0.351 0.000 0.550) 0.652 6.782 ( 8.943 0.000 -5.381) 10.437 6.897 ( 5.781 0.000 -8.029) 9.894 6.965 ( -0.010 0.000 5.139) 5.139 7.322 ( -1.828 0.000 -5.754) 6.037 7.401 ( -11.126 0.000 5.150) 12.260 7.795 ( -4.201 0.000 4.525) 6.175 8.130 ( -0.216 0.000 -2.546) 2.555 8.199 ( 2.990 0.000 -3.376) 4.510 8.523 ( -1.936 0.000 0.870) 2.122 8.527 ( -1.862 0.000 -3.508) 3.972 8.616 ( 2.900 0.000 0.086) 2.901 8.768 ( -5.495 0.000 1.680) 5.746 8.912 ( 5.213 0.000 9.011) 10.411 10.966 ( 3.453 0.000 -3.311) 4.784 11.092 ( 2.240 0.000 -2.702) 3.510 11.262 ( -0.380 0.000 -2.155) 2.188 11.273 ( -0.436 0.000 2.482) 2.520 11.384 ( 1.217 0.000 -0.859) 1.489 11.465 ( -1.110 0.000 1.285) 1.698 11.540 ( -2.041 0.000 0.623) 2.134 11.541 ( -3.002 0.000 1.088) 3.193 11.701 ( -1.161 0.000 0.435) 1.240 11.762 ( -2.588 0.000 -0.017) 2.588 11.805 ( 0.789 0.000 1.210) 1.444 11.993 ( 3.734 0.000 -3.292) 4.978 16.442 ( -1.419 0.000 0.476) 1.497 16.541 ( -0.327 0.000 -0.227) 0.398 16.607 ( -0.065 0.000 -0.442) 0.447 16.610 ( 0.199 0.000 -0.189) 0.274 23.289 ( 10.676 0.000 5.237) 11.891 23.456 ( 5.712 0.000 0.420) 5.727 23.545 ( 7.366 0.000 -1.851) 7.595 23.963 ( 10.009 0.000 1.583) 10.133 24.611 ( 1.091 0.000 1.022) 1.495 24.793 ( 8.080 0.000 1.769) 8.271 25.033 ( 0.490 0.000 7.557) 7.572 25.143 ( -6.271 0.000 -11.140) 12.784 25.667 ( 3.969 0.000 -8.981) 9.819 25.716 ( -4.876 0.000 9.203) 10.414 26.459 ( -19.560 0.000 -0.156) 19.560 27.070 ( -12.290 0.000 -1.881) 12.433 ======================= Grid point 151 (69/128) ======================= q-point: ( 0.40 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 11.435 0.000 -0.484) 11.446 2.067 ( 1.674 0.000 3.382) 3.773 2.294 ( 13.426 0.000 -7.701) 15.478 2.403 ( 4.111 0.000 3.918) 5.679 2.615 ( -2.486 0.000 1.156) 2.741 2.731 ( -13.245 0.000 6.009) 14.544 2.827 ( 5.367 0.000 -6.884) 8.729 2.843 ( 4.345 0.000 -0.458) 4.369 2.970 ( 2.459 0.000 -10.358) 10.646 3.078 ( 1.009 0.000 -4.418) 4.532 3.302 ( -5.785 0.000 5.733) 8.144 3.565 ( -5.562 0.000 8.296) 9.988 3.652 ( 4.687 0.000 2.126) 5.146 3.755 ( 0.339 0.000 5.137) 5.148 3.849 ( 3.626 0.000 -1.939) 4.111 3.925 ( 1.594 0.000 0.642) 1.719 3.961 ( 4.250 0.000 -0.470) 4.276 4.030 ( -0.781 0.000 0.191) 0.805 4.120 ( 2.570 0.000 0.674) 2.657 4.195 ( -4.722 0.000 1.534) 4.965 4.311 ( 4.687 0.000 2.115) 5.142 4.431 ( 8.270 0.000 -7.242) 10.993 4.475 ( -2.669 0.000 1.906) 3.280 4.609 ( 6.371 0.000 4.543) 7.825 4.731 ( 2.998 0.000 2.278) 3.765 4.785 ( 2.417 0.000 4.186) 4.834 5.063 ( -2.925 0.000 8.737) 9.214 5.120 ( 1.134 0.000 -2.674) 2.905 5.262 ( -9.926 0.000 4.708) 10.986 5.402 ( -1.872 0.000 -2.904) 3.455 5.548 ( 2.250 0.000 -0.466) 2.298 5.617 ( 2.846 0.000 -3.776) 4.728 5.684 ( -1.106 0.000 2.235) 2.494 5.711 ( -5.667 0.000 -3.962) 6.915 5.863 ( -2.635 0.000 -0.925) 2.792 5.998 ( -3.655 0.000 1.314) 3.885 6.019 ( -3.588 0.000 -5.190) 6.310 6.149 ( -2.793 0.000 4.223) 5.063 6.239 ( 3.363 0.000 -4.234) 5.407 6.413 ( 7.984 0.000 -4.636) 9.233 6.512 ( -6.819 0.000 2.532) 7.274 6.536 ( -0.512 0.000 1.408) 1.498 6.758 ( -1.202 0.000 0.811) 1.450 6.881 ( 7.768 0.000 -9.720) 12.443 6.926 ( 9.075 0.000 -6.985) 11.452 6.963 ( -3.533 0.000 1.385) 3.795 7.260 ( -1.552 0.000 0.421) 1.608 7.287 ( -7.498 0.000 6.378) 9.844 7.792 ( -2.888 0.000 8.318) 8.805 8.135 ( 2.381 0.000 -0.383) 2.411 8.218 ( 2.797 0.000 -4.235) 5.075 8.474 ( -3.118 0.000 -1.637) 3.522 8.478 ( -0.505 0.000 -1.846) 1.914 8.637 ( 0.385 0.000 -1.588) 1.634 8.696 ( -4.557 0.000 2.865) 5.383 8.967 ( -3.819 0.000 0.432) 3.843 10.984 ( 2.070 0.000 -3.322) 3.914 11.077 ( -0.020 0.000 -3.860) 3.860 11.246 ( 0.402 0.000 -0.625) 0.743 11.282 ( -0.156 0.000 1.117) 1.127 11.427 ( 3.376 0.000 0.072) 3.377 11.469 ( -0.746 0.000 2.144) 2.270 11.488 ( -2.154 0.000 -0.934) 2.348 11.498 ( -3.068 0.000 0.114) 3.070 11.694 ( 0.182 0.000 1.985) 1.993 11.768 ( 0.303 0.000 2.295) 2.315 11.825 ( 0.178 0.000 1.102) 1.117 12.014 ( 2.778 0.000 -4.646) 5.413 16.429 ( -0.688 0.000 0.921) 1.150 16.525 ( -0.634 0.000 -1.020) 1.201 16.606 ( 0.193 0.000 -0.131) 0.233 16.612 ( 0.214 0.000 -0.154) 0.264 23.481 ( 4.410 0.000 4.334) 6.183 23.627 ( 3.518 0.000 -1.348) 3.767 23.627 ( 7.777 0.000 9.339) 12.153 24.147 ( 7.934 0.000 3.368) 8.620 24.596 ( -2.228 0.000 -2.283) 3.190 24.878 ( -3.382 0.000 -8.966) 9.583 25.028 ( 7.467 0.000 2.308) 7.815 25.173 ( 5.078 0.000 10.855) 11.984 25.685 ( -5.981 0.000 4.764) 7.647 25.692 ( 6.841 0.000 -6.081) 9.153 26.111 ( -17.927 0.000 -1.707) 18.008 26.794 ( -11.190 0.000 -10.218) 15.154 ======================= Grid point 152 (70/128) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -7.643 0.000 5.026) 9.147 2.274 ( 13.241 0.000 5.322) 14.271 2.340 ( -14.718 0.000 0.837) 14.742 2.418 ( 9.231 0.000 -11.071) 14.415 2.579 ( 1.972 0.000 -2.089) 2.872 2.637 ( -2.566 0.000 6.814) 7.281 2.828 ( -6.224 0.000 -0.221) 6.228 2.846 ( 2.032 0.000 -5.072) 5.464 2.961 ( 6.739 0.000 -7.759) 10.277 3.076 ( 4.423 0.000 -7.324) 8.556 3.289 ( -2.353 0.000 9.946) 10.221 3.499 ( -3.262 0.000 0.775) 3.353 3.743 ( -2.961 0.000 2.270) 3.731 3.790 ( 4.545 0.000 6.501) 7.932 3.934 ( 5.250 0.000 -2.268) 5.719 3.935 ( -2.718 0.000 4.103) 4.921 3.960 ( -5.309 0.000 3.041) 6.118 4.050 ( 5.260 0.000 -0.702) 5.307 4.128 ( -4.799 0.000 -0.416) 4.817 4.243 ( 4.163 0.000 -2.144) 4.683 4.399 ( -6.732 0.000 0.186) 6.734 4.405 ( 0.524 0.000 -1.363) 1.460 4.455 ( 5.688 0.000 8.257) 10.027 4.674 ( -8.456 0.000 0.357) 8.463 4.789 ( -5.634 0.000 0.394) 5.647 4.815 ( 10.204 0.000 -0.151) 10.205 5.090 ( -9.629 0.000 3.479) 10.238 5.113 ( -2.028 0.000 0.722) 2.152 5.175 ( 2.722 0.000 6.361) 6.919 5.371 ( 3.526 0.000 -5.336) 6.396 5.537 ( -4.928 0.000 -5.457) 7.353 5.594 ( 0.539 0.000 3.486) 3.527 5.619 ( 1.522 0.000 -4.147) 4.418 5.681 ( -2.044 0.000 1.452) 2.507 5.865 ( 0.315 0.000 1.309) 1.347 5.919 ( -1.585 0.000 -3.782) 4.101 5.958 ( -1.752 0.000 1.755) 2.479 6.183 ( 6.088 0.000 0.452) 6.105 6.254 ( -1.299 0.000 -0.253) 1.323 6.437 ( -4.025 0.000 3.056) 5.053 6.493 ( 5.994 0.000 -6.235) 8.649 6.565 ( 1.266 0.000 1.532) 1.988 6.715 ( -3.860 0.000 -0.490) 3.891 6.888 ( -5.065 0.000 0.223) 5.070 6.894 ( 4.608 0.000 -7.999) 9.231 7.063 ( 10.382 0.000 -6.407) 12.199 7.245 ( -3.895 0.000 5.218) 6.511 7.306 ( 6.944 0.000 0.668) 6.976 7.853 ( -1.181 0.000 11.302) 11.363 8.201 ( -0.076 0.000 -5.353) 5.353 8.203 ( 3.571 0.000 3.016) 4.674 8.383 ( -3.649 0.000 -3.534) 5.080 8.485 ( 2.736 0.000 0.120) 2.739 8.586 ( -3.834 0.000 -3.757) 5.369 8.672 ( -1.290 0.000 3.499) 3.729 8.855 ( -3.959 0.000 -3.667) 5.397 10.982 ( 1.036 0.000 -2.392) 2.606 11.030 ( -0.542 0.000 -4.092) 4.128 11.261 ( 0.424 0.000 1.518) 1.576 11.293 ( 0.317 0.000 0.820) 0.879 11.432 ( -4.066 0.000 -0.031) 4.066 11.451 ( -1.930 0.000 1.541) 2.469 11.479 ( 0.928 0.000 -1.393) 1.674 11.490 ( 3.095 0.000 0.255) 3.106 11.736 ( 1.110 0.000 3.388) 3.565 11.800 ( 0.456 0.000 2.823) 2.859 11.831 ( -0.327 0.000 0.276) 0.428 12.000 ( 1.392 0.000 -6.031) 6.190 16.436 ( 0.219 0.000 1.318) 1.336 16.503 ( -0.392 0.000 -1.456) 1.508 16.609 ( 0.188 0.000 -0.027) 0.190 16.613 ( 0.052 0.000 -0.169) 0.177 23.556 ( -0.176 0.000 3.711) 3.715 23.643 ( -0.615 0.000 -0.860) 1.057 23.848 ( 3.281 0.000 13.040) 13.447 24.314 ( 7.320 0.000 2.061) 7.605 24.495 ( -4.856 0.000 -4.111) 6.362 24.707 ( -4.259 0.000 -7.471) 8.599 25.242 ( 10.657 0.000 2.464) 10.938 25.389 ( 6.758 0.000 5.331) 8.608 25.619 ( -6.176 0.000 8.787) 10.741 25.795 ( -14.828 0.000 -0.726) 14.846 25.801 ( 10.122 0.000 -2.249) 10.369 26.497 ( -6.644 0.000 -16.006) 17.330 ======================= Grid point 153 (71/128) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -17.172 0.000 5.146) 17.926 1.967 ( -23.979 0.000 -1.062) 24.003 2.435 ( 3.982 0.000 -10.634) 11.355 2.488 ( 2.949 0.000 9.826) 10.259 2.663 ( -3.872 0.000 -2.991) 4.893 2.686 ( 0.749 0.000 4.344) 4.408 2.733 ( 10.369 0.000 -2.719) 10.719 2.809 ( -3.543 0.000 -1.474) 3.838 2.984 ( 2.693 0.000 -5.433) 6.063 3.089 ( 6.477 0.000 -8.066) 10.344 3.403 ( -0.175 0.000 14.448) 14.449 3.492 ( 0.305 0.000 -2.011) 2.034 3.701 ( -4.697 0.000 1.403) 4.902 3.811 ( -10.837 0.000 0.305) 10.842 3.923 ( -1.257 0.000 1.077) 1.655 3.941 ( 0.157 0.000 3.357) 3.360 3.965 ( -7.873 0.000 2.817) 8.361 4.021 ( -6.202 0.000 -4.166) 7.471 4.028 ( 4.535 0.000 -2.547) 5.201 4.241 ( 3.232 0.000 -1.604) 3.608 4.285 ( -4.192 0.000 0.524) 4.224 4.456 ( 3.595 0.000 1.335) 3.835 4.536 ( -9.825 0.000 -1.853) 9.998 4.617 ( -4.352 0.000 0.635) 4.398 4.694 ( 6.561 0.000 9.428) 11.486 4.879 ( -0.039 0.000 -1.600) 1.601 5.010 ( -5.331 0.000 4.214) 6.795 5.177 ( 6.296 0.000 6.527) 9.069 5.256 ( 1.675 0.000 2.133) 2.712 5.372 ( 1.372 0.000 -5.418) 5.589 5.436 ( -3.017 0.000 -0.294) 3.031 5.566 ( -3.772 0.000 -2.482) 4.516 5.659 ( 0.684 0.000 -2.020) 2.132 5.667 ( 1.846 0.000 7.229) 7.461 5.882 ( -0.527 0.000 -0.864) 1.013 5.887 ( 2.479 0.000 -1.996) 3.182 5.976 ( 1.124 0.000 2.827) 3.043 6.211 ( -2.994 0.000 1.747) 3.467 6.329 ( 6.000 0.000 -5.424) 8.088 6.422 ( 1.833 0.000 1.370) 2.289 6.489 ( 0.594 0.000 -7.288) 7.312 6.595 ( 0.792 0.000 0.584) 0.985 6.625 ( -3.664 0.000 -0.265) 3.673 6.799 ( -4.539 0.000 0.135) 4.541 6.896 ( 2.145 0.000 -4.321) 4.824 7.138 ( 4.573 0.000 -5.060) 6.820 7.233 ( -2.514 0.000 3.361) 4.197 7.487 ( 13.127 0.000 -4.579) 13.902 7.951 ( 0.396 0.000 9.216) 9.224 8.095 ( -5.286 0.000 -5.663) 7.747 8.291 ( -1.908 0.000 -5.839) 6.143 8.315 ( 3.441 0.000 6.417) 7.281 8.458 ( -4.685 0.000 -2.286) 5.212 8.582 ( 6.247 0.000 1.120) 6.347 8.735 ( 4.316 0.000 6.089) 7.464 8.805 ( 0.776 0.000 -1.719) 1.886 10.981 ( 0.615 0.000 -0.582) 0.847 10.983 ( -0.651 0.000 -3.400) 3.462 11.282 ( 0.363 0.000 1.247) 1.299 11.289 ( -2.125 0.000 -0.675) 2.230 11.373 ( -2.130 0.000 1.977) 2.906 11.429 ( -2.417 0.000 1.410) 2.798 11.487 ( 1.653 0.000 -1.422) 2.180 11.538 ( 2.223 0.000 -0.062) 2.223 11.784 ( 0.327 0.000 3.099) 3.116 11.819 ( -0.611 0.000 -0.982) 1.156 11.839 ( 0.809 0.000 2.688) 2.807 11.948 ( -0.009 0.000 -6.987) 6.987 16.461 ( 0.981 0.000 1.543) 1.828 16.486 ( 0.187 0.000 -1.477) 1.489 16.610 ( -0.024 0.000 -0.098) 0.101 16.610 ( -0.146 0.000 -0.231) 0.274 23.548 ( -4.433 0.000 3.338) 5.550 23.586 ( -4.728 0.000 -0.892) 4.812 23.967 ( -3.490 0.000 10.889) 11.434 24.282 ( -4.184 0.000 -14.421) 15.015 24.511 ( 4.700 0.000 7.299) 8.681 24.600 ( -1.382 0.000 -3.820) 4.062 25.345 ( -3.393 0.000 -13.597) 14.014 25.403 ( 5.582 0.000 -1.625) 5.813 25.508 ( -11.937 0.000 0.650) 11.955 25.877 ( 5.748 0.000 29.377) 29.934 26.017 ( 14.189 0.000 1.102) 14.232 26.288 ( 2.355 0.000 -16.421) 16.589 ======================= Grid point 154 (72/128) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -25.485 0.000 1.032) 25.506 1.530 ( -22.794 0.000 9.540) 24.710 2.360 ( -1.807 0.000 -7.866) 8.071 2.551 ( -4.139 0.000 0.377) 4.157 2.637 ( 4.127 0.000 6.102) 7.367 2.652 ( -14.206 0.000 5.043) 15.074 2.754 ( 1.135 0.000 3.027) 3.233 2.843 ( 4.705 0.000 -8.955) 10.116 2.971 ( -0.018 0.000 -4.942) 4.943 3.187 ( 10.029 0.000 -5.402) 11.391 3.238 ( -24.472 0.000 -0.995) 24.492 3.481 ( -5.779 0.000 11.508) 12.878 3.556 ( -11.166 0.000 -0.030) 11.166 3.591 ( -11.405 0.000 0.731) 11.429 3.831 ( -1.407 0.000 -6.732) 6.878 3.871 ( -2.032 0.000 -2.594) 3.295 3.996 ( 3.158 0.000 5.518) 6.357 4.053 ( 5.104 0.000 -0.591) 5.138 4.100 ( 5.538 0.000 0.488) 5.560 4.302 ( 3.039 0.000 -0.955) 3.185 4.302 ( -5.924 0.000 -0.705) 5.965 4.332 ( 3.920 0.000 -1.354) 4.148 4.519 ( 3.174 0.000 0.644) 3.238 4.664 ( 2.980 0.000 3.750) 4.790 4.733 ( -3.060 0.000 -1.673) 3.488 4.943 ( 4.698 0.000 0.273) 4.706 4.966 ( -3.820 0.000 5.327) 6.555 5.293 ( -1.962 0.000 -6.765) 7.044 5.297 ( 1.156 0.000 2.134) 2.427 5.415 ( 7.095 0.000 10.286) 12.495 5.417 ( -0.875 0.000 3.102) 3.223 5.481 ( -2.691 0.000 0.092) 2.692 5.668 ( 2.804 0.000 -1.707) 3.282 5.801 ( 4.244 0.000 8.241) 9.270 5.871 ( 0.543 0.000 -1.672) 1.758 5.911 ( 3.147 0.000 -3.530) 4.729 6.046 ( 2.684 0.000 3.614) 4.502 6.202 ( -0.440 0.000 2.346) 2.387 6.241 ( -5.241 0.000 -5.022) 7.258 6.381 ( -3.642 0.000 -7.760) 8.572 6.409 ( -4.386 0.000 -0.475) 4.411 6.607 ( -0.166 0.000 1.065) 1.078 6.652 ( -0.841 0.000 1.776) 1.965 6.791 ( 8.079 0.000 -2.490) 8.454 6.877 ( -0.469 0.000 -3.131) 3.166 7.138 ( -0.221 0.000 -3.090) 3.098 7.203 ( -4.282 0.000 2.357) 4.887 7.650 ( 10.878 0.000 -6.114) 12.478 7.944 ( -5.850 0.000 -2.658) 6.426 8.032 ( 1.506 0.000 3.707) 4.002 8.205 ( -0.308 0.000 -6.043) 6.050 8.409 ( -1.003 0.000 1.417) 1.736 8.431 ( 2.629 0.000 4.996) 5.645 8.688 ( 5.817 0.000 -1.163) 5.932 8.821 ( 1.504 0.000 -0.379) 1.551 8.952 ( 9.645 0.000 8.091) 12.589 10.937 ( -1.491 0.000 -2.365) 2.796 10.992 ( 0.101 0.000 1.183) 1.188 11.211 ( -4.502 0.000 -0.648) 4.548 11.305 ( 1.560 0.000 0.498) 1.637 11.396 ( 0.911 0.000 3.317) 3.440 11.397 ( -1.597 0.000 0.032) 1.597 11.508 ( 1.233 0.000 0.121) 1.239 11.571 ( 1.651 0.000 -0.221) 1.666 11.792 ( -0.454 0.000 -2.241) 2.287 11.804 ( -0.828 0.000 2.018) 2.181 11.873 ( -0.774 0.000 -6.154) 6.202 11.874 ( 0.541 0.000 1.740) 1.822 16.482 ( 0.775 0.000 -1.221) 1.446 16.498 ( 1.286 0.000 1.469) 1.952 16.604 ( -0.248 0.000 -0.250) 0.353 16.607 ( -0.201 0.000 -0.124) 0.237 23.464 ( -7.368 0.000 -1.175) 7.461 23.465 ( -7.910 0.000 2.729) 8.367 23.935 ( -8.217 0.000 5.409) 9.838 23.992 ( -9.464 0.000 -21.517) 23.506 24.573 ( -0.334 0.000 0.068) 0.341 24.669 ( 4.671 0.000 6.143) 7.717 25.100 ( -7.251 0.000 -14.323) 16.054 25.349 ( -8.400 0.000 4.458) 9.510 25.404 ( 0.352 0.000 -6.799) 6.808 26.221 ( 11.449 0.000 -12.907) 17.253 26.360 ( 13.471 0.000 33.742) 36.332 26.367 ( 15.564 0.000 2.368) 15.743 ======================= Grid point 155 (73/128) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -21.333 0.000 11.319) 24.150 1.243 ( -22.233 0.000 17.288) 28.163 2.247 ( -10.445 0.000 6.557) 12.333 2.354 ( -25.845 0.000 10.173) 27.776 2.532 ( 0.068 0.000 3.301) 3.301 2.653 ( -2.474 0.000 -11.561) 11.823 2.671 ( -12.915 0.000 -12.338) 17.861 2.804 ( -1.691 0.000 0.083) 1.693 2.824 ( -0.340 0.000 6.328) 6.337 3.060 ( 2.864 0.000 -3.939) 4.870 3.213 ( -3.795 0.000 -0.631) 3.847 3.366 ( -13.874 0.000 1.508) 13.956 3.391 ( -6.531 0.000 2.438) 6.971 3.540 ( 4.745 0.000 4.229) 6.356 3.727 ( -1.626 0.000 -8.878) 9.026 3.807 ( -1.728 0.000 -4.702) 5.009 4.102 ( -0.034 0.000 -0.723) 0.723 4.112 ( -6.194 0.000 0.396) 6.207 4.156 ( 6.685 0.000 -0.857) 6.740 4.256 ( 7.371 0.000 -0.710) 7.405 4.258 ( -4.304 0.000 -2.763) 5.114 4.507 ( 10.699 0.000 -2.899) 11.084 4.579 ( -0.083 0.000 4.118) 4.119 4.733 ( 1.925 0.000 1.074) 2.204 4.756 ( 11.507 0.000 -3.350) 11.985 4.951 ( -0.973 0.000 -5.098) 5.190 5.014 ( 1.410 0.000 9.939) 10.038 5.155 ( -4.086 0.000 -7.433) 8.482 5.346 ( 0.810 0.000 3.926) 4.009 5.453 ( -0.442 0.000 1.646) 1.705 5.458 ( 1.648 0.000 3.901) 4.235 5.595 ( 3.593 0.000 0.602) 3.643 5.771 ( 5.405 0.000 7.716) 9.421 5.866 ( 0.488 0.000 -1.552) 1.627 5.875 ( 1.226 0.000 -7.376) 7.477 5.988 ( 2.721 0.000 7.759) 8.223 6.117 ( -2.108 0.000 -4.617) 5.076 6.122 ( 3.496 0.000 0.981) 3.631 6.219 ( -2.087 0.000 2.838) 3.522 6.282 ( 0.505 0.000 -1.134) 1.241 6.349 ( -4.237 0.000 5.780) 7.166 6.628 ( 1.115 0.000 3.504) 3.677 6.650 ( 1.656 0.000 3.195) 3.599 6.816 ( -3.119 0.000 -2.692) 4.120 6.918 ( 6.587 0.000 -4.287) 7.859 7.069 ( -5.084 0.000 -1.246) 5.234 7.140 ( -4.379 0.000 2.970) 5.291 7.775 ( 9.407 0.000 -4.724) 10.526 7.852 ( -3.690 0.000 1.141) 3.862 8.077 ( 1.006 0.000 0.940) 1.377 8.180 ( 2.812 0.000 -3.884) 4.795 8.424 ( 0.073 0.000 2.721) 2.722 8.491 ( 0.419 0.000 1.513) 1.570 8.773 ( 6.483 0.000 -4.785) 8.057 8.834 ( -0.491 0.000 0.289) 0.570 9.109 ( 1.439 0.000 -3.798) 4.061 10.886 ( -2.092 0.000 -1.043) 2.338 10.991 ( -1.773 0.000 0.922) 1.998 11.150 ( -2.738 0.000 2.818) 3.930 11.350 ( 2.151 0.000 0.705) 2.263 11.383 ( 1.335 0.000 -1.619) 2.098 11.451 ( 1.359 0.000 2.489) 2.836 11.532 ( 0.872 0.000 1.200) 1.484 11.599 ( 1.376 0.000 0.354) 1.420 11.769 ( 0.387 0.000 -1.954) 1.992 11.794 ( -1.906 0.000 1.113) 2.207 11.830 ( 1.696 0.000 -1.912) 2.556 11.890 ( 0.160 0.000 0.500) 0.525 16.489 ( 1.127 0.000 -0.805) 1.385 16.530 ( 0.867 0.000 0.928) 1.270 16.599 ( -0.135 0.000 -0.030) 0.138 16.603 ( -0.135 0.000 0.011) 0.136 23.318 ( -7.199 0.000 -1.577) 7.370 23.325 ( -9.830 0.000 1.771) 9.988 23.494 ( -19.986 0.000 -24.106) 31.314 23.805 ( -9.054 0.000 0.932) 9.102 24.568 ( -1.092 0.000 0.980) 1.467 24.725 ( -3.989 0.000 -2.561) 4.740 24.919 ( -1.644 0.000 2.405) 2.913 25.286 ( -5.028 0.000 7.271) 8.840 25.340 ( 1.610 0.000 -8.077) 8.236 26.289 ( 10.369 0.000 -14.179) 17.566 26.695 ( 15.299 0.000 4.912) 16.068 26.995 ( 22.463 0.000 26.674) 34.872 ======================= Grid point 156 (74/128) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -10.797 0.000 24.209) 26.507 1.116 ( -13.824 0.000 24.942) 28.517 1.939 ( -33.429 0.000 35.541) 48.792 2.277 ( 5.268 0.000 0.926) 5.349 2.411 ( -5.459 0.000 -17.347) 18.186 2.413 ( -1.881 0.000 -15.411) 15.526 2.613 ( 2.948 0.000 5.948) 6.639 2.749 ( -4.155 0.000 0.968) 4.266 2.886 ( 0.536 0.000 4.197) 4.231 3.093 ( 3.384 0.000 -1.802) 3.834 3.127 ( -7.989 0.000 4.634) 9.236 3.173 ( -7.745 0.000 1.937) 7.984 3.327 ( -3.014 0.000 0.710) 3.096 3.621 ( -0.235 0.000 -8.434) 8.437 3.673 ( -8.295 0.000 -10.449) 13.342 3.683 ( 7.166 0.000 -2.187) 7.492 3.889 ( -4.357 0.000 -14.559) 15.197 3.988 ( -5.660 0.000 -3.261) 6.533 4.229 ( -0.378 0.000 -0.719) 0.812 4.296 ( 7.114 0.000 1.286) 7.230 4.396 ( 6.823 0.000 1.383) 6.962 4.565 ( 1.110 0.000 -6.370) 6.466 4.634 ( -0.352 0.000 5.872) 5.883 4.800 ( 4.210 0.000 1.908) 4.622 4.838 ( -2.079 0.000 -10.922) 11.119 4.933 ( 1.920 0.000 1.365) 2.355 5.089 ( 8.114 0.000 -4.975) 9.518 5.155 ( 2.303 0.000 6.370) 6.773 5.377 ( -1.173 0.000 1.632) 2.010 5.470 ( 2.016 0.000 -2.180) 2.970 5.557 ( 4.122 0.000 5.441) 6.826 5.643 ( 2.234 0.000 3.744) 4.360 5.804 ( -1.135 0.000 -1.916) 2.227 5.841 ( -2.472 0.000 -0.242) 2.484 5.909 ( 1.884 0.000 2.333) 2.999 6.043 ( 1.856 0.000 -3.116) 3.627 6.085 ( 1.228 0.000 1.835) 2.208 6.189 ( -5.122 0.000 4.583) 6.873 6.201 ( 3.354 0.000 -0.285) 3.366 6.352 ( -1.480 0.000 5.886) 6.069 6.362 ( 4.463 0.000 1.396) 4.676 6.698 ( -4.377 0.000 -0.045) 4.377 6.776 ( 4.852 0.000 0.547) 4.882 6.812 ( 11.594 0.000 4.015) 12.269 6.946 ( -5.696 0.000 -0.645) 5.732 6.973 ( 1.188 0.000 9.086) 9.163 7.138 ( 3.981 0.000 -0.638) 4.032 7.819 ( -2.570 0.000 3.054) 3.992 7.899 ( 7.610 0.000 -2.739) 8.088 8.077 ( -3.561 0.000 0.753) 3.640 8.217 ( 4.067 0.000 -2.202) 4.625 8.456 ( -0.054 0.000 3.467) 3.468 8.478 ( -2.197 0.000 -1.589) 2.711 8.784 ( -3.226 0.000 -10.146) 10.647 8.799 ( -3.540 0.000 -0.150) 3.543 8.889 ( -6.126 0.000 -13.740) 15.043 10.856 ( -0.563 0.000 0.406) 0.695 10.957 ( -2.340 0.000 0.492) 2.391 11.160 ( -1.467 0.000 5.433) 5.627 11.358 ( 0.152 0.000 -1.563) 1.570 11.436 ( 4.186 0.000 -0.224) 4.192 11.476 ( -0.073 0.000 0.736) 0.740 11.565 ( 1.081 0.000 1.734) 2.043 11.614 ( -0.137 0.000 0.209) 0.250 11.759 ( -2.879 0.000 0.715) 2.967 11.764 ( 1.117 0.000 -1.747) 2.074 11.899 ( 0.963 0.000 -0.190) 0.981 11.905 ( 3.837 0.000 1.613) 4.162 16.505 ( 1.144 0.000 -0.370) 1.202 16.541 ( -0.241 0.000 0.030) 0.243 16.601 ( 0.202 0.000 0.417) 0.463 16.603 ( 0.128 0.000 0.215) 0.250 22.934 ( -15.194 0.000 -5.581) 16.186 23.161 ( -8.956 0.000 0.067) 8.956 23.251 ( -2.805 0.000 2.210) 3.571 23.645 ( -7.593 0.000 -2.248) 7.919 24.556 ( -0.751 0.000 0.380) 0.842 24.595 ( -5.140 0.000 -1.591) 5.381 24.975 ( -1.794 0.000 8.743) 8.925 25.314 ( -1.365 0.000 10.622) 10.709 25.317 ( 3.926 0.000 -7.098) 8.111 26.291 ( 5.831 0.000 -16.187) 17.205 26.987 ( 10.828 0.000 6.160) 12.457 27.521 ( 14.618 0.000 2.365) 14.808 ======================= Grid point 157 (75/128) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -1.808 5.707 25.434) 26.129 1.314 ( -4.029 11.044 23.094) 25.914 2.124 ( 1.403 8.052 17.118) 18.970 2.221 ( 0.548 3.573 -16.953) 17.334 2.285 ( -1.303 4.945 -0.922) 5.196 2.483 ( 8.160 0.778 5.823) 10.055 2.664 ( -2.935 -1.905 1.211) 3.703 2.731 ( 0.299 -9.766 2.387) 10.058 2.795 ( 3.126 -5.101 2.619) 6.531 2.904 ( -6.658 -1.076 -1.990) 7.031 3.081 ( 2.106 -2.554 -7.379) 8.087 3.246 ( -1.153 5.756 7.559) 9.571 3.325 ( -10.753 -3.552 -4.486) 12.181 3.381 ( 3.233 1.400 -4.428) 5.658 3.572 ( 2.401 4.217 -4.399) 6.550 3.690 ( 5.707 0.295 -18.567) 19.427 3.795 ( 3.471 0.794 -4.029) 5.377 3.928 ( -5.152 2.442 -7.051) 9.067 4.206 ( -4.156 -0.842 1.667) 4.556 4.346 ( 0.134 -4.627 -3.043) 5.540 4.388 ( 2.882 -2.352 6.336) 7.347 4.522 ( 2.294 -1.808 -0.785) 3.025 4.650 ( -4.664 1.472 -0.078) 4.891 4.740 ( -2.362 1.173 -6.670) 7.173 4.822 ( -3.593 -3.705 4.291) 6.712 4.909 ( 3.359 0.141 0.396) 3.385 5.129 ( -3.404 -3.676 2.081) 5.425 5.181 ( 3.555 -3.594 -1.495) 5.272 5.285 ( -5.124 -2.439 0.523) 5.699 5.429 ( 6.366 -3.590 -4.955) 8.830 5.607 ( 2.390 -5.467 6.468) 8.800 5.711 ( 2.404 -4.128 3.424) 5.878 5.809 ( -0.851 1.073 6.114) 6.266 5.846 ( -0.102 2.662 0.470) 2.705 5.964 ( -1.146 2.794 -4.382) 5.321 6.037 ( -1.683 2.392 -3.209) 4.342 6.156 ( -0.594 1.302 4.137) 4.377 6.214 ( 1.985 1.892 4.583) 5.341 6.265 ( -0.230 1.752 1.547) 2.348 6.394 ( 2.714 4.322 5.132) 7.237 6.490 ( 0.798 1.336 -0.892) 1.794 6.670 ( -4.189 5.499 -2.260) 7.273 6.770 ( -0.347 0.151 1.948) 1.985 6.859 ( -4.614 4.255 -1.173) 6.385 7.039 ( -0.957 2.633 0.754) 2.901 7.148 ( 11.523 -0.297 -4.460) 12.360 7.347 ( 12.439 -4.731 12.724) 18.412 7.757 ( -15.305 -1.359 -2.000) 15.494 7.895 ( -7.369 3.285 -0.755) 8.104 7.989 ( 0.463 3.322 -1.812) 3.813 8.244 ( 3.714 -2.093 -1.186) 4.425 8.365 ( -0.801 -0.206 -9.169) 9.206 8.394 ( 0.680 -7.951 5.412) 9.642 8.604 ( 2.680 -3.288 0.580) 4.281 8.648 ( -2.568 -5.374 -3.992) 7.170 8.811 ( 2.681 -1.300 -9.943) 10.380 10.906 ( 1.848 2.442 1.421) 3.376 10.956 ( -0.787 2.870 -0.771) 3.074 11.220 ( -0.968 2.834 4.453) 5.366 11.334 ( -0.115 -0.570 -1.121) 1.263 11.470 ( -0.556 0.628 2.090) 2.252 11.541 ( -1.018 0.416 1.733) 2.052 11.556 ( 0.478 -2.628 -0.542) 2.725 11.606 ( 0.858 0.938 -0.725) 1.464 11.697 ( -3.310 -1.210 0.863) 3.628 11.736 ( 2.337 -2.543 -0.714) 3.527 11.962 ( -0.370 3.361 0.797) 3.474 11.980 ( 0.081 3.841 0.019) 3.842 16.521 ( 0.545 0.205 0.135) 0.597 16.536 ( -0.842 0.594 -0.523) 1.155 16.607 ( 0.662 -0.062 0.468) 0.813 16.614 ( -0.219 0.175 0.129) 0.309 22.943 ( 8.142 1.530 2.582) 8.677 23.073 ( -3.182 3.983 -3.350) 6.100 23.266 ( 4.091 -2.699 4.748) 6.824 23.483 ( -4.846 -2.135 -4.618) 7.026 24.539 ( -0.609 3.136 2.958) 4.354 24.700 ( -0.245 9.830 -5.275) 11.159 24.989 ( -3.565 -0.816 7.376) 8.233 25.274 ( 2.272 -3.947 -1.750) 4.879 25.502 ( 2.707 5.142 7.886) 9.796 26.135 ( 0.057 -4.120 -16.570) 17.074 27.172 ( 3.556 -1.790 7.476) 8.470 27.416 ( -7.704 -7.362 -2.292) 10.900 ======================= Grid point 158 (76/128) ======================= q-point: ( 0.10 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 4.906 3.308 23.087) 23.833 1.539 ( 3.393 7.595 22.704) 24.180 2.093 ( 4.519 2.522 -20.205) 20.857 2.161 ( 7.505 0.798 -17.903) 19.429 2.466 ( -7.919 -1.731 -3.566) 8.856 2.572 ( 8.143 6.376 21.694) 24.033 2.656 ( 3.230 -6.570 3.538) 8.131 2.810 ( 4.926 -5.470 1.353) 7.485 2.864 ( 4.120 -0.830 2.510) 4.895 2.989 ( 10.784 -5.952 3.754) 12.877 3.081 ( 7.990 -0.444 -4.923) 9.395 3.206 ( -2.292 -4.273 3.145) 5.780 3.323 ( 1.855 4.939 7.719) 9.350 3.423 ( 7.749 0.666 -7.597) 10.872 3.550 ( -1.423 9.406 -5.975) 11.234 3.646 ( 7.886 -0.117 -16.375) 18.175 3.772 ( -0.048 1.311 -4.441) 4.631 3.879 ( 5.313 -0.134 0.439) 5.333 4.129 ( -6.507 -4.424 3.255) 8.515 4.293 ( -3.065 -2.470 -1.767) 4.315 4.396 ( -4.197 4.313 0.146) 6.020 4.534 ( -4.509 2.818 -2.706) 5.966 4.614 ( 1.027 -0.324 1.369) 1.742 4.648 ( -2.179 -1.379 2.355) 3.493 4.752 ( -7.044 -0.501 2.221) 7.403 4.939 ( -6.339 -1.522 0.904) 6.581 5.020 ( -3.737 1.410 -0.351) 4.009 5.195 ( -0.244 -6.078 0.491) 6.103 5.222 ( -2.589 -5.399 1.884) 6.278 5.490 ( 3.920 -2.112 -4.257) 6.160 5.655 ( -3.028 -6.243 2.965) 7.546 5.698 ( -3.005 -0.472 -0.298) 3.056 5.830 ( -0.374 2.656 3.063) 4.071 5.884 ( -1.574 5.363 -2.542) 6.140 5.922 ( 0.522 0.948 1.777) 2.081 5.996 ( 0.936 1.577 -0.825) 2.011 6.183 ( -0.059 0.497 -0.352) 0.612 6.241 ( 0.462 0.704 -0.725) 1.111 6.306 ( 0.999 0.395 4.434) 4.562 6.457 ( -2.075 0.664 -1.517) 2.655 6.556 ( 4.073 3.717 8.278) 9.946 6.591 ( 0.906 2.653 -3.122) 4.197 6.754 ( -2.202 1.393 1.779) 3.155 6.820 ( -0.636 2.529 0.203) 2.615 7.009 ( -0.365 5.669 -2.972) 6.412 7.177 ( -9.341 0.786 -1.070) 9.435 7.420 ( -1.420 -2.880 -10.263) 10.753 7.623 ( -2.982 -1.929 10.659) 11.235 7.913 ( -0.488 0.471 0.740) 1.003 8.034 ( 11.227 -0.401 5.172) 12.367 8.234 ( -1.873 -0.926 -2.851) 3.535 8.280 ( -1.102 0.448 -4.635) 4.785 8.464 ( 1.390 -4.849 4.732) 6.916 8.578 ( -0.472 -5.077 -4.084) 6.533 8.666 ( 1.514 -3.510 -1.669) 4.171 8.769 ( 2.571 -4.139 -5.734) 7.525 10.946 ( 1.367 3.088 -1.715) 3.788 10.979 ( 4.203 1.907 0.898) 4.702 11.244 ( -0.684 2.398 3.538) 4.328 11.323 ( 0.129 0.660 -1.194) 1.370 11.459 ( -2.268 0.733 1.129) 2.637 11.532 ( -2.175 -0.046 2.174) 3.076 11.549 ( -1.116 -2.758 1.010) 3.142 11.611 ( 0.469 2.565 -1.875) 3.211 11.657 ( -1.364 -2.101 0.684) 2.596 11.771 ( 1.660 -0.610 -0.138) 1.774 11.930 ( -1.349 2.688 0.011) 3.007 11.987 ( -1.019 3.395 0.003) 3.545 16.505 ( -1.569 0.458 -0.222) 1.649 16.538 ( 0.485 0.284 0.239) 0.611 16.607 ( -0.488 -0.174 -0.137) 0.536 16.620 ( 0.401 0.212 0.138) 0.475 22.987 ( 1.630 1.181 -2.796) 3.445 23.206 ( 13.234 1.097 -1.605) 13.376 23.381 ( 1.200 -3.462 -4.691) 5.953 23.459 ( 9.962 -2.353 3.924) 10.963 24.551 ( -1.177 2.794 2.695) 4.056 24.676 ( 1.644 7.225 -2.273) 7.750 24.993 ( -2.995 0.145 6.288) 6.966 25.293 ( 2.078 -4.836 -3.341) 6.234 25.633 ( 1.629 4.230 9.834) 10.829 25.940 ( -3.118 -2.191 -16.301) 16.741 27.158 ( -16.626 -1.777 -0.145) 16.721 27.253 ( -3.655 -3.320 7.275) 8.793 ======================= Grid point 159 (77/128) ======================= q-point: ( 0.20 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 5.506 -0.523 14.174) 15.215 1.826 ( 5.653 4.181 17.039) 18.433 1.959 ( 2.021 2.452 -13.946) 14.304 2.155 ( 9.432 0.512 -15.911) 18.504 2.324 ( 2.655 -2.057 -2.991) 4.497 2.723 ( 1.608 -7.485 1.715) 7.845 2.875 ( 3.780 -0.942 -1.928) 4.346 2.915 ( 6.346 -3.743 5.027) 8.919 2.995 ( 3.715 1.627 3.077) 5.091 3.096 ( 4.378 -1.132 -1.538) 4.776 3.254 ( 8.434 -4.303 5.684) 11.043 3.362 ( 9.168 4.108 4.235) 10.902 3.419 ( -5.025 7.024 -4.029) 9.530 3.468 ( 6.387 2.287 5.044) 8.454 3.544 ( 9.846 -7.659 1.394) 12.551 3.650 ( 11.073 3.770 -11.517) 16.415 3.799 ( 6.353 -0.086 -4.640) 7.868 4.032 ( 1.492 -6.797 6.382) 9.443 4.095 ( 3.625 1.064 3.298) 5.015 4.220 ( -2.257 2.572 -1.165) 3.615 4.316 ( -1.427 1.867 -2.907) 3.738 4.382 ( -7.703 2.513 -5.234) 9.646 4.587 ( -3.408 4.771 6.269) 8.584 4.641 ( -6.121 1.385 1.432) 6.437 4.696 ( -3.647 1.794 5.729) 7.024 4.731 ( -9.191 2.003 -1.763) 9.570 5.025 ( -0.646 -3.611 1.334) 3.903 5.194 ( -1.848 -6.886 1.342) 7.255 5.217 ( -0.827 -5.671 4.584) 7.338 5.444 ( -3.224 -3.888 -4.554) 6.801 5.632 ( 1.491 -0.645 -1.723) 2.368 5.652 ( -3.295 -2.993 1.233) 4.619 5.751 ( -4.335 5.159 -5.046) 8.419 5.870 ( -1.642 5.112 3.666) 6.501 5.957 ( 0.015 1.961 2.522) 3.195 6.025 ( 1.616 1.158 -0.159) 1.995 6.153 ( -0.974 -1.705 -2.635) 3.287 6.224 ( 0.660 2.971 -4.742) 5.635 6.341 ( -0.657 0.314 -0.167) 0.747 6.392 ( -2.199 0.289 -0.033) 2.219 6.613 ( 4.068 -0.961 -2.236) 4.741 6.691 ( -0.608 1.727 5.457) 5.756 6.718 ( -4.891 0.213 1.323) 5.072 6.809 ( 0.866 -0.358 -1.124) 1.464 6.948 ( -4.792 4.122 -2.412) 6.765 7.014 ( -0.490 9.704 0.056) 9.716 7.349 ( 1.190 -4.975 -10.965) 12.099 7.569 ( -9.155 0.562 5.115) 10.502 7.864 ( -4.349 1.928 2.263) 5.268 8.168 ( -1.433 -1.500 -3.341) 3.933 8.179 ( -0.102 -1.864 -2.323) 2.981 8.435 ( 12.514 -3.197 8.488) 15.455 8.506 ( -2.201 -2.446 0.646) 3.353 8.568 ( 4.354 -6.193 0.012) 7.570 8.637 ( -0.318 -1.107 -1.079) 1.579 8.773 ( -0.384 -5.828 -0.346) 5.851 10.966 ( 2.956 3.111 -2.470) 4.951 11.062 ( 4.227 1.353 -0.376) 4.454 11.265 ( -0.318 1.578 2.500) 2.973 11.313 ( 0.239 1.880 -1.634) 2.503 11.427 ( -1.942 1.598 0.992) 2.703 11.506 ( -2.548 1.276 1.523) 3.231 11.538 ( -1.201 -2.241 0.899) 2.697 11.583 ( -1.297 1.575 -1.303) 2.421 11.660 ( 0.350 -2.266 0.937) 2.477 11.796 ( 0.945 0.848 0.853) 1.530 11.895 ( -4.458 2.186 -1.014) 5.068 11.962 ( 1.583 1.358 -1.862) 2.796 16.474 ( -1.641 0.539 0.032) 1.728 16.547 ( 0.219 0.321 0.351) 0.524 16.594 ( -0.571 -0.699 -0.438) 1.003 16.624 ( 0.101 0.324 -0.209) 0.399 23.048 ( 7.270 -1.409 -1.229) 7.506 23.323 ( 2.818 -3.490 -1.800) 4.833 23.473 ( 12.439 2.630 -2.834) 13.026 23.700 ( 11.414 -3.400 3.318) 12.364 24.555 ( -0.372 0.014 1.517) 1.562 24.707 ( 1.807 3.544 1.736) 4.340 25.013 ( -0.774 1.710 5.034) 5.373 25.263 ( -0.949 -4.412 -5.779) 7.332 25.735 ( -0.527 4.071 8.386) 9.337 25.748 ( -1.348 0.249 -12.578) 12.652 26.836 ( -18.476 1.859 0.094) 18.569 27.196 ( -9.261 -4.765 4.534) 11.359 ======================= Grid point 160 (78/128) ======================= q-point: ( 0.30 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 6.879 0.471 -9.617) 11.833 2.000 ( -0.192 1.029 9.640) 9.697 2.118 ( 8.114 3.124 9.100) 12.586 2.209 ( 11.761 -3.341 -10.156) 15.895 2.472 ( 8.279 -2.676 5.972) 10.553 2.733 ( -2.392 -5.296 1.488) 5.999 2.918 ( 5.049 5.242 -6.221) 9.575 2.935 ( -2.549 -3.448 -0.557) 4.324 2.976 ( -3.511 -0.549 -2.222) 4.192 3.168 ( 3.752 6.260 -4.889) 8.784 3.300 ( -4.027 -2.254 5.291) 7.021 3.474 ( 1.462 -0.291 4.471) 4.713 3.515 ( 7.641 -8.116 4.795) 12.135 3.584 ( 6.079 -2.855 2.051) 7.022 3.752 ( 8.540 -0.042 0.969) 8.595 3.829 ( 5.404 4.682 -5.233) 8.861 3.891 ( 9.716 -0.819 1.982) 9.949 4.061 ( -2.145 -7.751 5.620) 9.812 4.149 ( -3.000 -3.179 -1.275) 4.553 4.159 ( -6.309 4.602 -2.911) 8.334 4.242 ( 8.517 4.145 -4.727) 10.586 4.388 ( 5.123 3.375 -0.562) 6.160 4.538 ( -4.475 2.722 -0.498) 5.261 4.615 ( -0.937 3.509 4.727) 5.961 4.671 ( 0.298 4.872 6.574) 8.188 4.706 ( 3.763 5.562 2.924) 7.324 4.987 ( -4.702 -7.549 1.184) 8.972 5.142 ( -4.586 -4.617 0.932) 6.574 5.257 ( -0.526 -4.981 1.674) 5.281 5.383 ( 0.616 -5.483 0.659) 5.557 5.582 ( -6.445 -2.048 1.418) 6.909 5.637 ( -1.745 2.362 -3.671) 4.701 5.669 ( 4.386 1.761 -4.438) 6.483 5.868 ( -2.232 6.397 3.606) 7.675 5.969 ( -1.351 1.106 2.559) 3.098 6.031 ( -0.516 -1.136 -3.069) 3.313 6.113 ( -0.117 -1.176 -4.601) 4.750 6.164 ( -1.415 5.267 -2.288) 5.914 6.320 ( 0.633 0.139 -3.526) 3.586 6.365 ( -0.295 2.798 -1.350) 3.120 6.586 ( -3.975 -0.769 -2.662) 4.845 6.630 ( -6.686 0.991 0.161) 6.761 6.678 ( -0.161 -1.265 3.189) 3.435 6.847 ( 2.174 -1.298 -0.182) 2.538 6.918 ( 5.190 4.337 -6.126) 9.125 7.043 ( -0.420 7.123 2.979) 7.732 7.242 ( -2.850 -5.792 -5.579) 8.532 7.439 ( -9.473 1.844 4.273) 10.554 7.821 ( -4.081 2.545 4.857) 6.835 8.117 ( -0.332 -1.146 -2.392) 2.673 8.186 ( 2.865 -1.452 -2.414) 4.018 8.444 ( -2.615 -3.752 -1.764) 4.901 8.547 ( -0.158 -2.505 -1.554) 2.952 8.612 ( 0.717 0.716 1.585) 1.881 8.732 ( -1.952 -2.490 1.181) 3.377 8.802 ( 5.484 -9.844 6.566) 13.042 10.995 ( 2.895 2.708 -2.663) 4.776 11.111 ( 2.291 1.653 -1.810) 3.355 11.269 ( -0.467 1.066 -0.799) 1.411 11.305 ( -0.090 2.009 -0.027) 2.011 11.420 ( 0.306 2.124 0.795) 2.288 11.480 ( -1.537 1.911 1.159) 2.713 11.526 ( -0.697 -1.034 0.260) 1.274 11.546 ( -2.325 0.508 0.012) 2.380 11.678 ( 0.240 -2.080 1.134) 2.381 11.785 ( -4.359 2.642 -0.643) 5.138 11.824 ( 0.755 1.009 0.687) 1.436 11.989 ( 3.207 -0.367 -3.062) 4.449 16.449 ( -1.283 0.690 0.411) 1.514 16.549 ( -0.274 0.766 -0.106) 0.820 16.581 ( -0.205 -1.510 -0.339) 1.561 16.622 ( 0.013 0.238 -0.395) 0.461 23.205 ( 8.802 -5.701 2.284) 10.733 23.369 ( 3.466 -4.835 -0.040) 5.949 23.667 ( 10.014 5.306 0.182) 11.334 23.922 ( 9.222 -2.575 4.174) 10.445 24.563 ( -0.115 -3.581 0.247) 3.591 24.762 ( 0.563 -2.326 3.845) 4.529 25.061 ( 1.303 3.028 2.088) 3.902 25.174 ( -1.026 1.161 -2.817) 3.215 25.666 ( 2.684 0.986 -7.428) 7.960 25.772 ( -2.306 4.121 4.246) 6.350 26.502 ( -17.827 3.824 -1.429) 18.288 27.014 ( -11.863 -5.066 -2.357) 13.113 ======================= Grid point 161 (79/128) ======================= q-point: ( 0.40 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 13.210 1.814 -0.874) 13.363 2.053 ( -1.806 -0.418 6.687) 6.939 2.301 ( 10.984 1.046 -6.496) 12.804 2.345 ( 4.333 -4.712 4.325) 7.726 2.591 ( -1.789 0.192 2.000) 2.690 2.685 ( -5.563 -2.843 5.818) 8.537 2.886 ( -2.769 1.766 3.651) 4.911 2.913 ( 0.048 -4.048 -4.721) 6.219 2.963 ( 6.487 7.167 -6.796) 11.816 3.118 ( 1.187 4.762 -8.113) 9.482 3.315 ( -3.057 0.628 6.831) 7.510 3.522 ( -3.495 -5.162 7.148) 9.484 3.630 ( 3.018 -2.760 2.649) 4.873 3.715 ( 3.087 -1.236 2.141) 3.955 3.826 ( 1.766 -3.046 2.474) 4.303 3.880 ( 4.611 -2.690 -0.702) 5.385 3.919 ( -6.390 -6.047 1.801) 8.980 4.013 ( -0.495 2.649 -1.711) 3.192 4.154 ( 4.376 2.578 -0.250) 5.085 4.176 ( 3.508 0.661 -0.845) 3.668 4.347 ( 3.817 2.278 0.999) 4.555 4.429 ( -0.905 -2.228 -3.458) 4.212 4.453 ( -2.472 -0.043 0.511) 2.525 4.693 ( 8.797 5.927 -2.066) 10.807 4.790 ( 0.610 0.143 2.058) 2.151 4.819 ( 3.820 5.699 0.677) 6.894 4.956 ( 1.301 -4.876 7.067) 8.684 5.076 ( -3.693 -3.900 1.442) 5.561 5.226 ( -0.899 -4.958 -1.904) 5.386 5.390 ( -6.925 -0.746 -1.011) 7.038 5.492 ( 0.040 -5.060 2.335) 5.573 5.600 ( -1.237 -0.673 0.076) 1.410 5.707 ( 4.331 3.725 -5.331) 7.813 5.854 ( -2.478 6.901 -0.988) 7.399 5.915 ( -3.937 4.904 -0.245) 6.294 5.991 ( -0.824 0.280 0.440) 0.975 6.043 ( -1.191 2.775 -4.522) 5.438 6.202 ( -0.546 3.125 4.554) 5.550 6.227 ( -1.234 -0.089 -5.514) 5.651 6.415 ( 7.332 0.561 -4.486) 8.614 6.513 ( -6.327 -0.129 1.447) 6.491 6.536 ( -1.019 -0.516 0.992) 1.513 6.703 ( 0.600 -2.875 1.291) 3.209 6.869 ( 1.955 -0.915 -1.700) 2.748 6.956 ( 2.395 0.967 -5.109) 5.724 7.027 ( 1.229 5.054 -3.546) 6.295 7.190 ( -0.057 -3.115 1.741) 3.569 7.337 ( -7.404 2.095 6.262) 9.921 7.821 ( -2.798 2.672 8.211) 9.077 8.120 ( 1.985 -1.497 -0.026) 2.487 8.216 ( 3.182 -0.238 -3.182) 4.506 8.386 ( -2.304 -4.031 -1.178) 4.790 8.505 ( -1.681 -1.707 -2.601) 3.536 8.621 ( -1.341 -0.185 0.554) 1.463 8.696 ( -2.008 -0.706 0.324) 2.153 8.868 ( -1.780 -8.508 -0.314) 8.698 11.012 ( 1.725 2.549 -2.530) 3.984 11.109 ( 0.193 2.882 -3.107) 4.242 11.252 ( 0.271 0.417 -0.940) 1.064 11.303 ( -0.541 1.405 0.774) 1.693 11.446 ( 1.555 0.628 -0.288) 1.702 11.474 ( -1.458 0.729 2.534) 3.013 11.500 ( -1.910 0.993 -0.527) 2.216 11.515 ( -0.386 2.284 -0.659) 2.408 11.688 ( 0.060 -0.792 1.685) 1.862 11.760 ( 0.169 -0.091 2.096) 2.105 11.839 ( 0.106 0.981 0.408) 1.068 12.006 ( 2.479 -0.831 -4.300) 5.032 16.438 ( -0.594 0.818 0.842) 1.315 16.533 ( -0.696 0.708 -1.100) 1.482 16.583 ( 0.274 -1.499 0.280) 1.550 16.618 ( 0.066 -0.013 -0.449) 0.454 23.376 ( 6.343 -9.621 3.471) 12.035 23.434 ( 2.283 -5.739 1.892) 6.460 23.830 ( 5.589 5.878 4.470) 9.262 24.110 ( 6.807 -2.197 4.665) 8.540 24.543 ( -1.486 -4.665 -1.550) 5.136 24.750 ( -4.216 -6.430 -0.538) 7.708 25.114 ( 6.170 6.506 1.637) 9.115 25.264 ( 5.520 4.042 8.888) 11.216 25.676 ( 3.420 0.198 -3.021) 4.567 25.736 ( -2.772 3.858 -1.567) 5.002 26.175 ( -15.399 5.371 -3.726) 16.729 26.743 ( -10.819 -4.626 -10.150) 15.539 ======================= Grid point 162 (80/128) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -10.056 0.188 6.311) 11.873 2.283 ( 14.803 -1.152 3.145) 15.178 2.388 ( -0.159 2.362 -2.933) 3.769 2.388 ( -0.931 -1.417 1.434) 2.220 2.513 ( -3.395 0.785 0.369) 3.504 2.667 ( -2.996 1.832 5.393) 6.436 2.844 ( -3.760 0.802 0.207) 3.850 2.871 ( 1.356 -1.441 -4.998) 5.375 3.032 ( 7.329 1.553 -6.504) 9.921 3.096 ( 4.561 6.773 -8.682) 11.918 3.322 ( -4.246 2.862 9.639) 10.915 3.494 ( -3.297 -2.147 4.209) 5.762 3.697 ( 0.670 -1.927 3.120) 3.727 3.801 ( 2.981 -0.779 2.111) 3.735 3.850 ( 2.972 -5.276 1.718) 6.294 3.888 ( -3.146 -6.028 4.222) 8.004 3.955 ( 0.598 0.638 1.628) 1.848 4.002 ( 1.903 -2.145 -2.356) 3.711 4.146 ( -1.473 0.810 -1.466) 2.230 4.246 ( -0.308 0.028 -3.691) 3.704 4.328 ( -3.066 -1.732 0.694) 3.590 4.429 ( 1.155 0.019 2.025) 2.331 4.455 ( 2.537 -0.978 2.587) 3.753 4.656 ( -7.318 -2.965 -1.420) 8.023 4.822 ( -5.662 1.250 2.027) 6.142 4.856 ( 4.900 1.072 -4.172) 6.523 5.035 ( -0.607 -0.076 2.401) 2.477 5.094 ( 2.221 -4.047 5.588) 7.248 5.182 ( -5.776 2.864 -1.424) 6.603 5.239 ( -0.017 -8.219 -4.041) 9.158 5.544 ( 2.130 -1.816 -0.289) 2.815 5.570 ( -3.802 0.705 3.089) 4.949 5.703 ( 0.483 1.170 -4.828) 4.991 5.783 ( 0.247 8.685 -4.221) 9.659 5.882 ( -4.322 2.674 4.590) 6.848 5.944 ( -1.122 3.524 -0.849) 3.795 6.039 ( 1.929 6.219 -1.946) 6.796 6.189 ( 6.684 -0.586 -4.112) 7.870 6.249 ( -2.067 0.752 3.284) 3.953 6.441 ( -3.295 -0.162 2.710) 4.269 6.487 ( 4.743 -0.221 -5.395) 7.187 6.548 ( 1.130 -1.676 -0.456) 2.072 6.717 ( -1.398 -0.274 1.789) 2.287 6.854 ( -5.424 -3.026 0.597) 6.240 6.927 ( 5.253 3.101 -5.804) 8.420 7.079 ( 7.692 1.415 -5.576) 9.605 7.251 ( -2.494 0.707 5.608) 6.178 7.312 ( 5.108 0.380 1.547) 5.350 7.882 ( -1.115 2.627 11.158) 11.517 8.178 ( 2.054 -2.021 2.490) 3.808 8.225 ( 1.352 1.867 -3.787) 4.433 8.334 ( -1.580 -3.639 -2.216) 4.544 8.460 ( -0.277 -3.535 -1.120) 3.718 8.570 ( -3.263 -0.033 -3.277) 4.625 8.663 ( -2.206 -1.854 1.257) 3.144 8.799 ( -1.581 -4.601 -2.988) 5.710 11.011 ( 0.731 2.601 -1.821) 3.258 11.068 ( -0.397 3.474 -3.973) 5.292 11.267 ( 0.801 -0.156 1.477) 1.687 11.302 ( -0.338 0.688 0.577) 0.960 11.440 ( -3.284 0.950 0.310) 3.433 11.459 ( -0.274 0.360 -0.075) 0.459 11.478 ( -0.604 0.638 0.884) 1.247 11.524 ( 1.981 2.893 -0.985) 3.641 11.725 ( 1.035 -1.162 3.141) 3.505 11.795 ( 0.808 -0.404 2.161) 2.342 11.836 ( -0.371 0.591 0.112) 0.707 11.992 ( 1.287 -0.818 -5.593) 5.797 16.445 ( 0.227 0.820 1.232) 1.497 16.510 ( -0.404 0.612 -1.474) 1.647 16.592 ( 0.234 -1.193 0.414) 1.284 16.615 ( 0.030 -0.264 -0.542) 0.604 23.461 ( -0.636 -8.927 2.453) 9.279 23.490 ( 1.913 -8.182 1.760) 8.585 23.953 ( 0.615 3.925 8.675) 9.542 24.238 ( 3.049 -6.073 1.217) 6.904 24.499 ( -1.484 0.037 0.156) 1.492 24.648 ( -3.583 -2.835 -3.555) 5.789 25.298 ( 9.112 5.787 4.147) 11.563 25.498 ( 8.574 5.391 10.303) 14.447 25.628 ( -6.355 1.885 1.539) 6.805 25.716 ( -1.609 -1.836 -1.749) 3.003 25.928 ( -2.791 6.656 -5.146) 8.864 26.455 ( -6.373 -3.962 -15.717) 17.416 ======================= Grid point 163 (81/128) ======================= q-point: (-0.40 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -18.201 0.472 6.063) 19.190 2.109 ( -21.125 8.815 0.092) 22.890 2.397 ( 2.332 -1.527 -4.788) 5.540 2.490 ( 0.304 -0.635 7.113) 7.148 2.634 ( 12.188 -1.184 -0.373) 12.251 2.685 ( 0.659 0.620 0.811) 1.216 2.752 ( -5.052 4.540 -1.193) 6.896 2.864 ( 1.610 1.037 -3.548) 4.032 3.061 ( 5.862 -2.548 -7.567) 9.905 3.119 ( 2.551 10.699 -3.814) 11.642 3.362 ( -2.410 -2.490 10.380) 10.943 3.517 ( 0.126 -0.639 2.317) 2.407 3.694 ( -4.796 -0.924 1.660) 5.158 3.782 ( -8.401 -0.548 -0.344) 8.426 3.858 ( -5.990 -4.476 -0.467) 7.492 3.920 ( -0.669 -1.146 1.990) 2.392 3.956 ( 0.819 -1.684 2.985) 3.524 4.003 ( 5.918 -2.237 -1.333) 6.466 4.093 ( -6.944 3.091 -4.103) 8.638 4.169 ( 2.383 -2.578 -0.085) 3.512 4.271 ( -3.052 -0.106 0.693) 3.132 4.467 ( -7.168 -5.917 1.678) 9.445 4.479 ( 3.717 2.380 -1.590) 4.691 4.639 ( 1.453 -2.928 5.108) 6.064 4.687 ( -3.086 0.188 1.013) 3.253 4.863 ( -1.304 -2.021 -1.007) 2.607 4.994 ( -5.079 -1.352 2.647) 5.885 5.155 ( 1.788 -3.206 2.216) 4.288 5.167 ( 0.075 -6.021 2.233) 6.422 5.238 ( 3.598 -3.141 -1.768) 5.093 5.519 ( -3.841 -0.852 0.306) 3.946 5.540 ( -1.451 0.886 0.070) 1.702 5.683 ( 1.030 0.701 0.051) 1.248 5.776 ( 1.510 7.861 -2.528) 8.394 5.865 ( -1.389 1.148 2.700) 3.246 5.949 ( 1.120 3.997 1.088) 4.292 6.051 ( 2.066 5.203 -2.179) 6.008 6.205 ( -2.314 0.484 1.052) 2.587 6.319 ( 4.433 -0.855 -4.397) 6.302 6.434 ( -0.729 0.925 -1.655) 2.031 6.482 ( 3.637 -1.100 -1.700) 4.163 6.554 ( 0.745 -1.244 -2.739) 3.099 6.695 ( -1.366 3.464 1.736) 4.109 6.775 ( -3.703 -2.322 0.943) 4.471 6.956 ( 1.874 5.482 -2.824) 6.445 7.162 ( 5.038 2.661 -3.688) 6.787 7.219 ( -1.529 -1.210 0.740) 2.085 7.499 ( 12.462 0.941 -2.622) 12.770 7.979 ( 0.270 2.563 9.100) 9.458 8.112 ( -5.543 1.427 -4.767) 7.449 8.262 ( -0.102 -2.320 -0.806) 2.458 8.318 ( 3.112 -0.001 0.537) 3.158 8.418 ( -3.958 -3.660 -0.516) 5.415 8.560 ( 6.490 -2.753 0.666) 7.081 8.665 ( 0.044 -4.358 3.693) 5.712 8.781 ( 1.493 -2.836 -1.386) 3.492 11.007 ( -0.051 2.702 -0.880) 2.842 11.030 ( 0.129 3.799 -2.659) 4.639 11.289 ( -1.208 1.042 0.005) 1.595 11.303 ( 0.669 -0.527 1.059) 1.359 11.377 ( -2.916 1.081 1.127) 3.308 11.450 ( -2.151 1.512 1.385) 2.972 11.488 ( 1.764 0.373 -0.442) 1.856 11.550 ( 1.413 1.375 -0.363) 2.004 11.768 ( 0.150 -1.381 2.640) 2.983 11.797 ( -0.743 -1.587 -0.993) 2.014 11.857 ( 1.091 1.134 2.011) 2.553 11.945 ( 0.167 -0.322 -6.371) 6.381 16.469 ( 0.913 0.686 1.453) 1.848 16.493 ( 0.167 0.603 -1.443) 1.573 16.598 ( 0.094 -0.838 0.368) 0.920 16.608 ( -0.128 -0.455 -0.679) 0.827 23.434 ( -4.427 -8.210 1.624) 9.468 23.494 ( -2.376 -7.958 -0.283) 8.310 23.997 ( -5.530 1.283 7.706) 9.571 24.214 ( -2.995 -8.424 -4.966) 10.228 24.488 ( -2.400 3.288 1.327) 4.281 24.614 ( 3.257 -0.304 0.423) 3.299 25.440 ( -4.699 5.981 -11.428) 13.727 25.449 ( 2.948 4.966 0.859) 5.839 25.547 ( -8.722 3.018 -3.526) 9.880 25.867 ( 8.219 -0.565 25.190) 26.503 26.043 ( 13.254 2.015 0.795) 13.429 26.256 ( 2.917 -2.821 -15.648) 16.165 ======================= Grid point 164 (82/128) ======================= q-point: (-0.30 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -20.806 4.464 8.228) 22.815 1.707 ( -23.473 11.165 2.160) 26.083 2.355 ( -1.710 0.780 -4.560) 4.932 2.557 ( 0.978 -3.467 2.376) 4.316 2.623 ( -3.154 4.577 -4.312) 7.034 2.718 ( -3.530 1.480 5.167) 6.430 2.758 ( 2.854 -0.684 0.458) 2.970 2.827 ( -5.401 1.976 -0.249) 5.756 3.081 ( 0.429 8.159 -7.003) 10.761 3.155 ( 6.935 -2.399 -3.047) 7.946 3.252 ( -19.510 0.513 -0.875) 19.537 3.460 ( -8.180 -0.857 7.012) 10.808 3.526 ( -11.101 -1.818 -0.884) 11.283 3.612 ( -5.751 1.460 2.803) 6.562 3.816 ( -2.845 -2.253 -1.366) 3.878 3.886 ( -1.838 -0.768 -2.375) 3.100 3.962 ( 0.032 -1.367 0.342) 1.409 4.039 ( 3.871 -0.532 -0.938) 4.019 4.128 ( 6.384 1.031 0.031) 6.467 4.208 ( 0.811 -1.761 0.309) 1.964 4.312 ( 7.444 -0.662 -0.253) 7.478 4.363 ( -3.736 -0.777 0.977) 3.939 4.520 ( 3.443 0.051 -1.308) 3.684 4.657 ( 2.068 -0.645 0.290) 2.185 4.691 ( -4.029 -4.404 3.884) 7.121 4.898 ( 2.571 -5.028 0.910) 5.720 4.949 ( -1.788 -1.289 3.146) 3.842 5.156 ( -0.128 -7.561 -0.663) 7.592 5.215 ( 1.246 -4.835 2.666) 5.660 5.328 ( 3.494 -2.609 1.993) 4.794 5.418 ( -5.252 -5.870 -0.333) 7.883 5.574 ( 2.168 4.159 4.598) 6.568 5.704 ( 1.297 -1.691 -1.764) 2.766 5.790 ( 2.274 5.449 -0.250) 5.909 5.901 ( 1.672 2.318 4.766) 5.557 5.986 ( 2.323 4.009 -0.864) 4.713 6.065 ( 1.453 1.283 -2.470) 3.139 6.180 ( -1.435 0.945 -0.011) 1.719 6.262 ( -3.169 1.079 -1.671) 3.742 6.359 ( -3.232 0.568 -0.471) 3.315 6.502 ( -1.379 3.659 -3.798) 5.451 6.592 ( 3.448 -0.253 -0.313) 3.472 6.694 ( -3.745 2.553 2.671) 5.260 6.792 ( 7.761 0.366 -1.086) 7.845 6.940 ( -0.853 5.447 -2.166) 5.924 7.146 ( -3.387 -0.051 0.446) 3.416 7.232 ( 2.290 4.313 -3.667) 6.107 7.664 ( 10.100 1.211 -5.150) 11.402 7.965 ( -5.488 1.850 -2.405) 6.272 8.055 ( 1.197 2.067 3.240) 4.025 8.202 ( 0.078 -0.357 -6.064) 6.075 8.365 ( -0.433 -3.243 1.293) 3.518 8.440 ( 2.577 0.151 4.801) 5.450 8.678 ( 4.721 -1.025 -0.339) 4.843 8.751 ( 3.110 -7.549 2.944) 8.679 8.833 ( 4.999 -8.488 2.788) 10.238 10.977 ( -1.362 3.619 -1.959) 4.335 11.033 ( 0.321 3.689 1.111) 3.866 11.221 ( -4.243 1.541 -0.955) 4.614 11.336 ( 1.522 -0.420 1.033) 1.887 11.383 ( 0.305 1.214 2.286) 2.606 11.427 ( -0.348 1.151 0.695) 1.389 11.522 ( 1.470 1.184 1.253) 2.265 11.566 ( 0.700 0.403 -0.303) 0.863 11.753 ( -1.092 -2.411 -1.947) 3.286 11.792 ( -0.946 -1.975 1.152) 2.474 11.874 ( 0.024 0.981 -3.249) 3.394 11.902 ( 0.811 1.286 -0.688) 1.669 16.486 ( 0.649 0.436 -1.058) 1.316 16.505 ( 1.324 0.662 1.330) 1.990 16.596 ( -0.301 -0.658 -0.700) 1.007 16.604 ( 0.059 -0.348 0.282) 0.451 23.336 ( -7.140 -8.161 -0.384) 10.851 23.408 ( -5.908 -6.398 -1.308) 8.806 23.875 ( -11.185 -1.707 -2.490) 11.585 24.056 ( -9.275 -1.056 -3.990) 10.152 24.474 ( 0.048 -1.065 1.251) 1.644 24.719 ( 4.087 0.682 4.776) 6.323 25.215 ( -5.290 7.916 -14.935) 17.711 25.364 ( -8.314 1.389 2.644) 8.834 25.459 ( -0.200 5.195 -5.905) 7.867 26.168 ( 9.242 -5.046 -6.543) 12.397 26.350 ( 15.379 0.412 10.082) 18.394 26.398 ( 15.911 1.469 15.599) 22.330 ======================= Grid point 165 (83/128) ======================= q-point: (-0.20 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -17.729 10.586 11.114) 23.450 1.363 ( -20.768 10.998 12.423) 26.582 2.267 ( -2.629 -0.310 -4.226) 4.987 2.466 ( -24.323 9.812 15.225) 30.326 2.548 ( -6.226 -0.327 -7.013) 9.383 2.589 ( -6.379 0.262 1.855) 6.649 2.704 ( -3.300 -0.238 0.576) 3.359 2.794 ( -0.482 -1.900 -0.941) 2.175 2.899 ( -7.937 7.910 -4.704) 12.153 3.086 ( 2.749 2.096 -5.555) 6.543 3.156 ( -5.344 -6.422 0.621) 8.378 3.297 ( -11.249 0.801 1.630) 11.395 3.434 ( -1.326 -2.132 0.796) 2.634 3.584 ( 0.163 5.304 2.482) 5.858 3.723 ( -2.609 -1.825 -4.999) 5.927 3.833 ( -1.884 1.073 -4.975) 5.427 3.923 ( -2.864 -7.444 -4.698) 9.257 4.114 ( 4.710 -3.746 0.373) 6.030 4.228 ( 4.344 0.747 -1.986) 4.835 4.240 ( 4.242 1.017 0.523) 4.393 4.302 ( -6.807 3.514 -0.202) 7.663 4.475 ( 10.169 -1.925 -5.072) 11.526 4.574 ( 1.014 -1.321 4.593) 4.886 4.703 ( 4.352 -4.487 1.315) 6.387 4.734 ( 4.767 -0.519 2.098) 5.235 4.930 ( 1.416 -3.703 0.174) 3.968 4.954 ( 0.503 -1.992 -0.888) 2.238 5.136 ( -1.367 -2.780 -1.779) 3.572 5.253 ( 2.079 -4.620 1.062) 5.176 5.360 ( -1.167 -8.218 7.614) 11.264 5.403 ( 1.228 -3.408 -0.062) 3.623 5.662 ( 1.464 -6.529 0.684) 6.726 5.695 ( 0.198 2.082 -0.655) 2.192 5.867 ( 4.404 3.923 3.679) 6.951 5.959 ( 0.140 2.963 -0.899) 3.099 6.022 ( 3.051 2.064 1.645) 4.034 6.092 ( 2.599 1.398 1.232) 3.198 6.151 ( 0.264 2.554 -1.083) 2.787 6.221 ( -3.048 0.612 1.897) 3.642 6.360 ( 1.054 3.038 4.520) 5.547 6.432 ( -2.710 6.572 -1.524) 7.270 6.643 ( 3.312 1.083 2.497) 4.287 6.673 ( -0.319 2.154 2.196) 3.093 6.884 ( -2.385 5.418 -0.060) 5.920 6.922 ( 6.721 0.613 -4.476) 8.098 7.072 ( -5.423 0.023 1.274) 5.571 7.205 ( -2.021 6.734 -2.083) 7.332 7.780 ( 8.838 0.410 -4.959) 10.143 7.883 ( -2.919 2.766 1.171) 4.188 8.091 ( 1.086 1.153 0.187) 1.595 8.182 ( 3.005 0.133 -3.998) 5.004 8.368 ( -1.480 -4.730 2.678) 5.633 8.507 ( 1.395 1.116 0.966) 2.030 8.747 ( 3.864 -3.363 -2.906) 5.890 8.779 ( -0.368 -4.914 0.055) 4.928 8.919 ( 1.011 -13.727 -4.266) 14.410 10.927 ( -2.279 3.819 -1.025) 4.564 11.032 ( -2.009 3.547 0.465) 4.103 11.167 ( -1.886 2.112 2.912) 4.062 11.362 ( 0.335 -1.826 -0.549) 1.936 11.401 ( 0.752 3.136 2.056) 3.824 11.476 ( 3.395 -0.238 0.576) 3.452 11.552 ( 0.059 3.008 0.242) 3.018 11.577 ( 1.087 -1.799 0.673) 2.207 11.721 ( -0.385 -2.993 -1.449) 3.348 11.777 ( -1.531 -1.933 1.588) 2.933 11.860 ( 2.091 2.440 -1.173) 3.420 11.919 ( 1.008 1.863 -0.045) 2.119 16.492 ( 0.994 0.325 -0.732) 1.277 16.540 ( 1.066 0.824 1.018) 1.689 16.585 ( -0.173 -0.891 -0.512) 1.042 16.608 ( 0.097 0.108 0.350) 0.379 23.158 ( -10.583 -8.135 -4.566) 14.108 23.284 ( -6.027 -4.389 -0.238) 7.459 23.556 ( -16.432 2.803 -8.205) 18.580 23.841 ( -10.994 0.562 -1.393) 11.096 24.497 ( 0.218 -0.761 2.180) 2.319 24.823 ( 1.610 1.286 3.432) 4.003 25.003 ( -3.957 8.752 -8.466) 12.804 25.277 ( -3.963 -0.499 2.076) 4.501 25.402 ( 0.075 5.807 -3.843) 6.963 26.239 ( 9.115 -4.931 -12.104) 15.934 26.694 ( 14.958 0.185 5.498) 15.937 26.941 ( 19.728 -4.272 21.426) 29.436 ======================= Grid point 166 (84/128) ======================= q-point: (-0.10 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -11.801 9.635 19.584) 24.812 1.241 ( -11.770 12.017 21.059) 26.952 2.106 ( -20.489 6.829 17.968) 28.094 2.261 ( -4.494 5.046 9.887) 11.975 2.398 ( 0.457 0.882 -13.342) 13.379 2.493 ( -5.085 4.511 -11.482) 13.343 2.649 ( 0.059 4.035 3.282) 5.202 2.737 ( -3.191 -3.981 1.131) 5.226 2.802 ( -4.274 -5.174 1.430) 6.861 3.033 ( -8.407 -5.046 2.516) 10.123 3.097 ( 3.282 0.159 -5.445) 6.359 3.213 ( -3.427 4.209 6.507) 8.473 3.396 ( -0.961 0.263 -2.382) 2.582 3.580 ( -1.924 -1.692 -6.261) 6.765 3.641 ( -9.236 -2.486 -4.075) 10.397 3.738 ( 6.174 3.773 -8.098) 10.860 3.801 ( 0.648 -3.084 -12.815) 13.197 4.106 ( -7.540 4.536 -5.050) 10.145 4.229 ( 2.557 0.124 1.444) 2.939 4.256 ( 1.161 -4.707 3.752) 6.130 4.333 ( 5.808 -2.372 -3.818) 7.345 4.516 ( 1.518 -3.568 -3.624) 5.308 4.665 ( 1.244 1.366 4.304) 4.684 4.785 ( 2.844 -3.087 2.376) 4.823 4.850 ( -1.018 -2.488 3.848) 4.694 4.860 ( 1.469 -0.040 -8.659) 8.783 5.065 ( 10.250 -2.073 -2.947) 10.865 5.124 ( -1.118 -5.324 4.755) 7.225 5.315 ( 1.037 -2.651 2.412) 3.730 5.395 ( 2.059 -4.753 -2.957) 5.965 5.478 ( 3.294 -5.414 7.451) 9.781 5.649 ( 0.237 -7.248 0.706) 7.286 5.728 ( 0.849 3.131 4.416) 5.480 5.896 ( -1.630 1.665 -1.755) 2.917 6.010 ( 0.912 6.178 1.503) 6.423 6.055 ( 0.833 1.328 -0.580) 1.672 6.123 ( 1.710 1.629 0.606) 2.439 6.177 ( -0.182 1.034 -0.643) 1.231 6.212 ( -0.544 1.516 7.056) 7.237 6.369 ( -2.159 3.709 1.860) 4.677 6.458 ( 3.616 4.437 0.145) 5.726 6.716 ( 1.746 1.361 1.784) 2.843 6.751 ( -0.333 -1.297 2.127) 2.513 6.902 ( 8.047 5.976 3.650) 10.667 6.980 ( -5.627 4.062 0.304) 6.947 7.008 ( 5.682 0.945 2.532) 6.293 7.150 ( 0.316 2.689 -2.310) 3.559 7.839 ( -1.368 1.778 1.297) 2.592 7.922 ( 7.016 1.676 -1.632) 7.396 8.098 ( -1.621 1.764 0.072) 2.396 8.205 ( 1.789 -1.417 -2.369) 3.289 8.359 ( -2.842 -8.654 4.137) 10.004 8.505 ( -1.811 1.504 -3.573) 4.279 8.659 ( -7.922 -9.721 -8.810) 15.326 8.734 ( -2.942 -5.324 -2.052) 6.420 8.845 ( 3.645 -2.029 -9.791) 10.643 10.890 ( -1.102 3.231 0.468) 3.446 10.989 ( -2.374 2.822 0.123) 3.690 11.190 ( -0.783 2.887 4.933) 5.769 11.350 ( -0.215 -1.202 -1.381) 1.844 11.443 ( 0.823 1.647 2.641) 3.219 11.531 ( 2.521 -1.581 -0.277) 2.989 11.543 ( -0.178 1.766 -0.456) 1.832 11.599 ( 0.512 -0.883 0.202) 1.041 11.709 ( 0.632 -3.219 -1.085) 3.455 11.753 ( -3.138 -1.318 1.499) 3.719 11.927 ( 2.750 2.585 0.455) 3.801 11.954 ( 3.037 2.904 1.146) 4.355 16.506 ( 1.042 0.236 -0.264) 1.101 16.552 ( -0.282 0.845 -0.222) 0.918 16.589 ( 0.695 -0.667 0.440) 1.059 16.613 ( 0.028 0.332 0.311) 0.456 22.915 ( -8.238 -0.124 -1.522) 8.378 23.216 ( -2.152 -3.108 2.240) 4.394 23.241 ( -11.640 5.379 -2.601) 13.084 23.643 ( -8.664 -1.179 -2.774) 9.173 24.519 ( -0.161 1.554 2.383) 2.850 24.781 ( -1.928 10.017 -6.655) 12.180 24.968 ( -1.855 -0.015 6.752) 7.002 25.257 ( 0.119 -2.472 0.295) 2.492 25.408 ( 1.845 6.016 2.050) 6.618 26.242 ( 5.103 -4.941 -14.567) 16.206 26.980 ( 10.241 -0.360 6.109) 11.930 27.385 ( 11.294 -10.326 5.656) 16.314 ======================= Grid point 167 (85/128) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -2.085 14.161 17.664) 22.735 1.633 ( -2.626 17.893 16.504) 24.484 2.052 ( 5.736 -10.486 3.375) 12.420 2.308 ( -0.670 2.794 -10.402) 10.792 2.384 ( -0.111 -1.911 -3.067) 3.616 2.422 ( -3.389 -13.695 1.790) 14.221 2.608 ( -1.650 3.991 -6.560) 7.854 2.701 ( 1.880 1.927 -1.665) 3.166 2.727 ( -3.347 5.502 6.454) 9.117 2.982 ( -0.241 5.011 2.411) 5.566 3.033 ( 0.498 -0.391 -3.972) 4.022 3.226 ( -5.987 -4.380 -5.737) 9.378 3.334 ( 4.155 -1.968 -4.595) 6.500 3.377 ( -3.343 6.362 6.446) 9.654 3.595 ( 2.345 -4.922 -6.360) 8.377 3.729 ( 2.062 4.281 -5.362) 7.164 3.870 ( 5.261 4.775 -5.471) 8.968 3.970 ( -5.085 0.545 -6.178) 8.020 4.109 ( -6.450 -8.623 4.004) 11.489 4.173 ( 2.245 -9.554 -0.096) 9.815 4.392 ( 3.687 2.951 4.845) 6.765 4.556 ( 1.190 2.277 6.167) 6.681 4.608 ( -2.289 -1.482 -3.698) 4.595 4.750 ( -3.272 0.396 -5.537) 6.444 4.832 ( -2.020 2.870 2.756) 4.462 4.889 ( 1.554 -2.166 1.504) 3.061 5.027 ( 2.179 -4.653 1.746) 5.426 5.105 ( 2.124 -3.427 -0.779) 4.107 5.269 ( -3.083 0.040 0.834) 3.194 5.373 ( 5.988 -2.851 -3.148) 7.341 5.489 ( 0.833 -2.912 4.898) 5.759 5.627 ( 2.272 -4.282 2.546) 5.475 5.819 ( -1.111 0.283 4.157) 4.312 5.863 ( 0.816 -1.142 3.193) 3.488 6.008 ( -1.925 2.344 -3.679) 4.768 6.070 ( -2.060 0.386 -1.974) 2.880 6.194 ( 1.118 2.645 2.599) 3.874 6.260 ( -1.003 1.770 2.610) 3.309 6.315 ( -3.049 2.691 3.790) 5.559 6.455 ( -1.948 -3.926 2.404) 4.999 6.578 ( 4.420 11.146 3.854) 12.595 6.755 ( -0.928 1.909 0.055) 2.123 6.807 ( -1.122 3.388 3.804) 5.216 6.971 ( -4.052 5.582 0.306) 6.905 7.089 ( 7.406 -2.784 -4.392) 9.049 7.155 ( 3.291 1.277 2.939) 4.594 7.249 ( 5.492 0.351 1.806) 5.792 7.684 ( -13.957 -7.304 -5.870) 16.811 7.955 ( -1.704 3.022 0.421) 3.494 8.042 ( 0.173 0.239 -1.424) 1.454 8.156 ( 6.020 -4.036 1.530) 7.407 8.244 ( -0.882 -4.164 1.028) 4.379 8.386 ( 0.168 1.211 -9.972) 10.047 8.516 ( 1.310 -5.432 -5.575) 7.893 8.602 ( -0.774 1.931 -0.898) 2.266 8.762 ( 1.543 -3.375 -8.687) 9.447 10.975 ( 0.752 3.708 1.341) 4.014 11.023 ( -0.327 2.707 -0.765) 2.832 11.287 ( -0.583 3.121 2.568) 4.083 11.325 ( 0.382 0.481 0.662) 0.903 11.453 ( -0.169 -3.454 1.035) 3.609 11.477 ( -0.712 -3.679 1.234) 3.945 11.560 ( -3.146 1.991 2.185) 4.317 11.626 ( 1.722 0.269 -1.379) 2.223 11.668 ( -1.282 -1.375 1.014) 2.136 11.695 ( 1.932 -1.229 0.285) 2.308 12.029 ( 0.635 2.608 1.526) 3.087 12.046 ( 0.069 2.079 1.170) 2.386 16.529 ( 0.403 0.531 0.136) 0.680 16.544 ( -0.644 0.137 -0.559) 0.864 16.607 ( 0.688 0.119 0.573) 0.904 16.615 ( -0.288 -0.062 0.169) 0.340 23.002 ( 4.928 3.907 3.556) 7.224 23.171 ( -2.772 4.449 -3.141) 6.111 23.194 ( 2.924 -3.233 3.807) 5.787 23.408 ( -4.988 -4.831 -4.377) 8.208 24.640 ( -1.367 5.975 4.522) 7.617 24.841 ( -2.341 0.530 1.063) 2.625 25.006 ( 0.382 4.326 -2.274) 4.902 25.195 ( 1.112 -3.629 -2.179) 4.377 25.634 ( 2.886 7.631 2.271) 8.468 26.006 ( 0.333 -8.046 -12.007) 14.458 27.144 ( 1.806 -0.340 5.623) 5.916 27.266 ( -3.230 -6.165 1.250) 7.071 ======================= Grid point 168 (86/128) ======================= q-point: ( 0.10 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 2.016 9.459 17.818) 20.274 1.794 ( 0.856 14.218 17.224) 22.351 2.087 ( 1.840 -5.034 -12.728) 13.811 2.218 ( 1.798 3.227 -8.747) 9.495 2.360 ( -3.726 -6.276 -0.591) 7.323 2.493 ( 5.342 -3.465 -1.450) 6.531 2.534 ( 7.416 -9.300 -1.686) 12.014 2.741 ( 8.635 -9.731 -1.749) 13.127 2.866 ( 5.536 5.238 2.149) 7.919 3.009 ( 4.130 0.182 -4.429) 6.058 3.102 ( 0.551 6.293 10.116) 11.927 3.159 ( 6.422 3.377 3.483) 8.048 3.362 ( 4.612 -3.644 -4.967) 7.695 3.426 ( 0.500 4.717 6.854) 8.336 3.591 ( 5.634 -4.315 -8.589) 11.142 3.733 ( 1.507 2.336 -3.203) 4.241 3.827 ( -3.506 4.287 -5.895) 8.088 3.909 ( -0.841 -1.385 0.157) 1.628 4.041 ( 0.395 -0.082 2.142) 2.180 4.198 ( 0.224 -4.228 1.388) 4.456 4.499 ( -3.488 1.861 -5.723) 6.956 4.539 ( 4.748 -1.403 3.332) 5.968 4.614 ( -2.156 2.862 4.284) 5.585 4.642 ( -3.133 0.836 -0.131) 3.245 4.777 ( -5.648 1.688 1.170) 6.010 4.905 ( -1.895 -1.411 0.999) 2.565 5.037 ( -1.492 -1.071 -1.047) 2.114 5.099 ( -1.297 -3.095 -0.552) 3.401 5.166 ( -6.521 1.685 0.597) 6.761 5.422 ( -0.029 -5.645 -3.147) 6.463 5.526 ( 0.059 -3.561 2.417) 4.304 5.638 ( -0.339 -4.795 -0.392) 4.823 5.877 ( 1.148 1.614 4.598) 5.006 5.922 ( 0.049 -0.528 -0.049) 0.533 5.972 ( 1.817 2.425 -0.366) 3.053 6.018 ( -0.087 0.514 -1.842) 1.914 6.194 ( -3.346 0.979 -1.247) 3.702 6.246 ( -0.278 -0.751 1.630) 1.816 6.328 ( -0.176 2.126 4.667) 5.131 6.436 ( -2.173 -2.438 1.635) 3.652 6.675 ( 0.089 5.977 1.615) 6.192 6.706 ( -1.494 6.450 1.565) 6.804 6.802 ( -5.142 4.302 5.268) 8.526 6.895 ( -2.880 4.430 -1.346) 5.453 7.154 ( 3.939 0.011 -3.735) 5.428 7.174 ( 0.752 6.711 -4.995) 8.400 7.320 ( -5.014 -7.111 -3.869) 9.522 7.541 ( 1.949 -6.155 6.059) 8.854 7.952 ( 0.045 3.235 0.491) 3.272 8.025 ( 2.575 0.192 0.657) 2.665 8.195 ( -3.942 -3.073 -0.493) 5.023 8.265 ( 2.469 -5.781 -4.066) 7.486 8.344 ( 3.802 -0.300 0.071) 3.814 8.487 ( 1.277 -4.539 -5.644) 7.355 8.608 ( 0.826 -0.581 1.490) 1.800 8.696 ( -0.474 -3.194 -5.871) 6.700 11.019 ( 2.120 3.167 -0.263) 3.821 11.030 ( 2.537 2.613 -0.143) 3.645 11.296 ( -0.527 2.607 1.451) 3.030 11.343 ( 1.051 1.536 0.189) 1.870 11.464 ( -0.174 -1.600 1.214) 2.016 11.472 ( -0.446 -4.180 0.486) 4.232 11.521 ( -3.339 0.653 2.815) 4.416 11.611 ( -2.087 -2.323 0.529) 3.167 11.676 ( 1.964 2.729 -1.398) 3.641 11.748 ( 2.926 -1.309 -0.014) 3.206 12.002 ( -3.308 3.495 0.312) 4.822 12.046 ( -1.798 1.820 0.482) 2.603 16.517 ( -1.335 0.706 -0.210) 1.525 16.540 ( 0.097 -0.129 0.126) 0.205 16.607 ( -0.561 0.252 -0.067) 0.619 16.621 ( 0.359 -0.137 0.210) 0.438 23.036 ( -0.575 3.655 -1.621) 4.040 23.238 ( 4.098 -0.232 -0.094) 4.105 23.282 ( 7.423 -2.879 -1.455) 8.094 23.409 ( 9.000 -2.971 2.269) 9.745 24.637 ( -3.759 5.234 4.168) 7.674 24.797 ( -3.116 2.094 0.876) 3.856 25.011 ( 1.188 2.606 0.120) 2.866 25.193 ( 1.045 -4.431 -2.759) 5.324 25.721 ( 3.132 4.004 3.624) 6.243 25.879 ( -1.063 -3.489 -11.412) 11.981 27.124 ( -11.120 -1.090 1.094) 11.227 27.175 ( -5.215 -3.507 4.360) 7.649 ======================= Grid point 169 (87/128) ======================= q-point: ( 0.20 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 1.663 1.968 8.859) 9.226 1.945 ( 1.157 2.617 7.341) 7.879 2.004 ( 2.999 4.017 -3.013) 5.849 2.194 ( 3.507 3.333 -4.941) 6.916 2.332 ( 1.901 3.137 1.976) 4.166 2.538 ( 4.194 -9.023 -0.780) 9.981 2.779 ( 12.127 -5.376 0.318) 13.269 2.843 ( 1.486 -6.555 2.248) 7.087 2.986 ( 1.588 -2.713 2.077) 3.767 3.051 ( 11.567 -7.294 -5.302) 14.667 3.172 ( 4.867 5.456 1.073) 7.390 3.397 ( 4.070 -3.225 -4.567) 6.915 3.410 ( 0.220 -0.572 7.484) 7.509 3.527 ( 1.659 3.043 1.206) 3.669 3.608 ( 4.251 6.167 -2.598) 7.929 3.721 ( 8.329 0.507 3.177) 8.928 3.836 ( 6.797 1.067 -1.759) 7.102 3.878 ( -0.340 -3.107 0.945) 3.265 4.157 ( 4.045 3.621 2.345) 5.914 4.227 ( 3.026 -0.083 0.606) 3.087 4.395 ( -1.870 4.636 -4.198) 6.527 4.475 ( -5.346 4.736 -3.953) 8.163 4.633 ( -1.184 -0.763 6.103) 6.264 4.667 ( -2.303 -0.122 -2.286) 3.247 4.695 ( -1.155 2.967 3.345) 4.618 4.840 ( -4.573 4.147 1.662) 6.393 4.973 ( -2.707 -0.370 -3.371) 4.339 5.069 ( -2.016 -4.433 1.659) 5.144 5.114 ( -1.877 -3.692 3.397) 5.357 5.312 ( -5.338 -8.587 -3.758) 10.787 5.573 ( 2.906 -2.528 -1.367) 4.087 5.605 ( -2.281 -2.970 -1.937) 4.216 5.830 ( -4.573 2.958 -3.370) 6.405 5.915 ( -0.296 -0.267 0.852) 0.941 6.030 ( 1.434 2.578 2.158) 3.655 6.042 ( 0.466 0.944 1.750) 2.042 6.134 ( -1.033 0.706 -2.658) 2.938 6.248 ( -0.321 -2.073 0.030) 2.097 6.363 ( 0.028 2.259 1.584) 2.759 6.408 ( -0.487 1.002 -0.846) 1.399 6.640 ( -0.647 2.799 -1.708) 3.342 6.713 ( -4.282 0.021 0.911) 4.378 6.775 ( -3.791 4.900 7.556) 9.771 6.824 ( -2.070 1.943 -2.383) 3.707 7.033 ( -4.180 3.359 -4.078) 6.737 7.197 ( 0.978 -0.512 -4.937) 5.059 7.248 ( 0.351 3.807 -4.020) 5.547 7.550 ( -7.050 -3.148 5.435) 9.442 7.937 ( -2.814 5.263 2.873) 6.624 8.117 ( 0.648 -3.003 -0.996) 3.230 8.132 ( -0.684 -1.907 -2.360) 3.110 8.311 ( 7.555 -9.114 4.392) 12.627 8.440 ( 1.898 -3.086 -3.960) 5.367 8.454 ( 2.522 -3.192 1.706) 4.411 8.630 ( -0.262 -0.266 -0.270) 0.461 8.660 ( 1.113 -3.500 -0.521) 3.710 11.045 ( 2.420 3.855 -1.700) 4.859 11.093 ( 3.373 1.334 0.287) 3.638 11.298 ( -0.392 1.598 0.603) 1.753 11.355 ( 0.353 1.613 -1.149) 2.011 11.461 ( -1.141 1.184 0.801) 1.829 11.477 ( 0.431 -2.260 1.120) 2.559 11.508 ( -1.753 -0.941 3.539) 4.060 11.585 ( -1.025 -2.566 -0.197) 2.770 11.680 ( 0.335 4.176 -2.324) 4.791 11.794 ( 2.125 -1.034 0.299) 2.382 11.944 ( -3.479 2.479 -0.647) 4.321 11.993 ( -2.265 0.958 -1.281) 2.773 16.491 ( -1.360 1.057 -0.022) 1.723 16.541 ( -0.131 -0.944 0.255) 0.986 16.593 ( -0.726 0.675 -0.372) 1.059 16.624 ( -0.044 -0.334 -0.167) 0.376 23.045 ( 3.569 1.562 -1.642) 4.228 23.229 ( 1.205 -5.509 -2.107) 6.020 23.506 ( 12.905 1.594 0.307) 13.007 23.637 ( 10.809 -3.115 4.916) 12.277 24.592 ( -4.412 3.721 2.310) 6.217 24.753 ( -4.409 -0.152 4.020) 5.968 25.048 ( 2.252 1.789 1.095) 3.078 25.173 ( -0.006 -3.852 -2.872) 4.804 25.768 ( 0.974 1.869 -8.557) 8.812 25.806 ( 2.074 2.010 1.949) 3.485 26.886 ( -14.578 2.953 -0.623) 14.887 27.077 ( -9.665 -6.063 2.308) 11.640 ======================= Grid point 170 (88/128) ======================= q-point: ( 0.30 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 4.723 1.320 -1.737) 5.203 2.017 ( 0.866 -3.492 4.142) 5.487 2.142 ( 5.348 4.933 8.774) 11.398 2.260 ( 6.368 6.394 -1.503) 9.148 2.448 ( 4.261 0.602 8.512) 9.538 2.602 ( 1.469 -7.391 2.218) 7.855 2.811 ( -1.482 -6.315 -0.510) 6.507 2.907 ( -2.517 -5.105 -0.332) 5.701 3.041 ( 8.059 2.983 -1.554) 8.732 3.217 ( -1.983 -3.490 3.619) 5.405 3.312 ( 8.316 -6.059 5.845) 11.833 3.359 ( 2.063 6.472 -5.410) 8.684 3.462 ( -0.532 1.647 -0.617) 1.837 3.472 ( 5.019 -5.817 1.198) 7.776 3.736 ( 3.033 -3.309 0.777) 4.555 3.844 ( 3.298 -1.328 -2.120) 4.139 3.953 ( 2.564 1.504 2.122) 3.652 4.011 ( 7.515 -0.116 2.328) 7.868 4.155 ( -1.853 7.456 -0.669) 7.712 4.273 ( -1.691 3.140 0.501) 3.601 4.324 ( 4.356 4.919 -6.726) 9.403 4.422 ( -2.072 0.188 0.954) 2.289 4.577 ( -5.089 1.187 -0.047) 5.226 4.679 ( 4.389 1.405 -2.354) 5.175 4.772 ( 4.593 4.161 3.348) 7.044 4.848 ( 2.235 5.097 5.512) 7.833 4.875 ( -1.984 0.276 -5.349) 5.712 5.052 ( -2.188 -2.732 2.351) 4.217 5.132 ( -0.199 -6.294 0.220) 6.301 5.242 ( 1.171 -7.794 1.526) 8.028 5.502 ( -5.672 -3.326 -2.140) 6.915 5.601 ( 4.782 -6.588 -9.074) 12.190 5.744 ( -0.898 5.154 -1.661) 5.489 5.915 ( -1.251 -1.683 2.219) 3.053 6.028 ( -1.430 2.292 -0.764) 2.808 6.055 ( 0.430 3.434 -0.954) 3.590 6.108 ( 0.199 1.316 -1.052) 1.697 6.239 ( -0.245 -0.401 -0.233) 0.525 6.347 ( -0.749 3.981 -1.891) 4.471 6.430 ( 2.398 2.585 -0.873) 3.633 6.564 ( -4.770 -0.740 -3.422) 5.917 6.628 ( -5.708 -1.580 -0.419) 5.937 6.724 ( -4.971 4.994 3.744) 7.979 6.835 ( -0.231 0.452 3.666) 3.701 6.979 ( 1.272 1.789 -3.663) 4.270 7.111 ( -1.693 -6.059 -7.906) 10.104 7.230 ( -3.100 9.147 4.515) 10.661 7.450 ( -9.003 -1.130 5.728) 10.730 7.903 ( -4.357 5.155 4.686) 8.217 8.082 ( -1.802 -2.606 -1.336) 3.439 8.148 ( 4.257 -0.671 -1.120) 4.453 8.389 ( -1.797 -2.072 -1.961) 3.372 8.448 ( 1.012 -6.082 2.095) 6.511 8.557 ( 4.235 -10.989 0.602) 11.793 8.635 ( 1.470 1.097 0.410) 1.879 8.692 ( 1.893 -1.560 0.480) 2.499 11.070 ( 1.895 3.991 -1.437) 4.646 11.147 ( 2.356 1.313 0.049) 2.698 11.289 ( -0.824 0.755 -0.696) 1.317 11.337 ( -0.186 0.427 -1.994) 2.048 11.451 ( -0.424 1.559 0.400) 1.665 11.497 ( -0.824 -0.303 2.003) 2.187 11.519 ( -0.334 -0.121 2.898) 2.919 11.562 ( -0.510 -0.869 -1.867) 2.121 11.666 ( 0.333 2.836 -0.316) 2.873 11.814 ( -1.049 -1.323 -1.308) 2.136 11.866 ( -1.942 3.698 -0.199) 4.182 11.975 ( 1.430 -1.123 -2.429) 3.034 16.471 ( -0.975 1.352 0.290) 1.692 16.542 ( -0.100 -1.766 0.261) 1.788 16.575 ( -0.715 1.159 -0.612) 1.493 16.618 ( -0.217 -0.561 -0.459) 0.757 23.123 ( 5.302 -1.499 0.361) 5.521 23.254 ( 2.721 -5.948 -0.556) 6.564 23.719 ( 9.333 1.320 1.788) 9.594 23.869 ( 8.861 -3.625 5.591) 11.087 24.534 ( -3.610 2.062 1.256) 4.343 24.712 ( -5.439 -2.971 5.487) 8.278 25.113 ( 3.351 1.537 1.721) 4.068 25.173 ( 1.802 -1.036 2.215) 3.038 25.728 ( 2.971 4.682 -7.083) 8.995 25.843 ( 0.889 1.735 -0.952) 2.170 26.602 ( -14.755 5.493 -3.182) 16.062 26.879 ( -11.536 -7.285 -3.214) 14.017 ======================= Grid point 171 (89/128) ======================= q-point: ( 0.40 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 9.485 0.048 2.203) 9.738 2.062 ( -0.794 -0.948 4.695) 4.856 2.306 ( 3.171 3.621 8.308) 9.601 2.363 ( 6.009 5.287 -0.558) 8.023 2.602 ( 3.152 -0.341 3.835) 4.976 2.631 ( -2.291 -3.135 9.805) 10.546 2.795 ( -0.899 -5.964 0.867) 6.093 2.855 ( -3.905 -4.946 3.794) 7.356 3.055 ( -2.715 2.605 -3.996) 5.489 3.206 ( 2.799 -2.397 -1.743) 4.076 3.365 ( 1.305 6.941 0.327) 7.070 3.434 ( -1.788 -1.113 0.360) 2.137 3.548 ( 6.058 -3.731 8.616) 11.174 3.619 ( 9.014 -4.879 -0.594) 10.267 3.740 ( -2.719 -3.728 3.639) 5.877 3.891 ( 3.712 2.461 -3.451) 5.634 3.929 ( -3.105 2.680 -0.456) 4.127 4.015 ( -3.052 -2.285 -1.887) 4.254 4.198 ( 6.107 4.262 -1.058) 7.522 4.249 ( -0.887 2.877 -1.301) 3.279 4.373 ( -3.467 -0.748 -0.607) 3.599 4.375 ( 2.302 0.335 -0.095) 2.328 4.478 ( -3.494 1.560 -2.660) 4.660 4.667 ( -5.442 -9.174 -2.241) 10.900 4.804 ( 7.232 3.786 -6.188) 10.243 4.888 ( 0.106 -0.233 -1.561) 1.581 5.002 ( 6.599 4.655 3.620) 8.850 5.040 ( -1.810 2.560 2.848) 4.235 5.119 ( 0.305 -3.398 -0.716) 3.486 5.345 ( -2.281 -7.883 2.856) 8.689 5.370 ( 2.762 0.522 -3.798) 4.726 5.600 ( 4.120 -3.270 -6.839) 8.628 5.745 ( 1.045 2.618 -2.225) 3.591 5.923 ( -0.857 -1.744 2.482) 3.152 5.989 ( 0.908 2.812 -4.378) 5.281 6.059 ( 1.286 4.805 -1.107) 5.096 6.115 ( 1.983 3.026 -0.999) 3.753 6.254 ( -2.109 0.115 -0.245) 2.126 6.268 ( -3.317 5.723 -0.804) 6.663 6.444 ( 2.436 1.179 -3.384) 4.332 6.494 ( -1.391 -1.279 -1.815) 2.620 6.512 ( -3.407 -1.444 -0.207) 3.706 6.688 ( -3.723 1.991 4.915) 6.479 6.854 ( -3.262 -1.377 4.995) 6.123 6.958 ( 1.319 -0.145 -5.711) 5.863 7.042 ( 1.728 -2.818 -2.643) 4.233 7.232 ( -1.200 5.826 4.383) 7.389 7.362 ( -7.976 0.098 7.508) 10.954 7.896 ( -2.403 4.272 7.014) 8.557 8.067 ( 0.333 -3.545 1.549) 3.883 8.218 ( 4.480 1.285 -1.495) 4.894 8.336 ( -2.331 -0.961 -1.336) 2.854 8.436 ( -1.852 -3.540 -1.396) 4.232 8.590 ( -0.315 -8.798 0.795) 8.839 8.645 ( -0.093 0.281 -2.892) 2.907 8.719 ( 1.018 -3.176 -1.530) 3.669 11.082 ( 0.874 3.892 -1.204) 4.167 11.175 ( 0.788 2.498 -0.357) 2.644 11.252 ( -1.052 -0.180 -2.348) 2.579 11.319 ( -0.328 -0.395 -1.040) 1.160 11.455 ( 1.064 1.097 -0.888) 1.768 11.491 ( -1.785 0.719 2.160) 2.892 11.518 ( -1.694 0.636 1.077) 2.106 11.565 ( 1.357 0.469 0.573) 1.546 11.681 ( 0.623 1.516 0.439) 1.697 11.769 ( -0.806 0.144 -0.138) 0.830 11.866 ( 0.425 1.930 -0.559) 2.053 11.976 ( 1.619 -2.047 -3.405) 4.290 16.463 ( -0.400 1.519 0.647) 1.698 16.538 ( -0.441 -1.351 -0.506) 1.509 16.563 ( -0.052 0.655 -0.023) 0.657 16.610 ( -0.132 -0.804 -0.630) 1.030 23.223 ( 4.220 -4.325 1.781) 6.300 23.301 ( 2.052 -6.362 0.691) 6.721 23.871 ( 4.649 0.380 3.703) 5.956 24.041 ( 4.203 -5.779 4.295) 8.337 24.499 ( -1.589 2.432 2.121) 3.597 24.669 ( -4.809 -2.876 4.926) 7.461 25.224 ( 5.814 3.349 5.828) 8.887 25.294 ( 5.000 -0.533 8.959) 10.273 25.724 ( 3.143 4.261 -5.752) 7.818 25.816 ( -0.354 2.551 -5.404) 5.986 26.306 ( -12.332 6.847 -6.672) 15.604 26.615 ( -10.364 -7.301 -9.750) 15.993 ======================= Grid point 172 (90/128) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -8.095 1.718 5.196) 9.772 2.178 ( 5.274 -6.179 0.727) 8.157 2.428 ( 1.048 4.931 9.940) 11.146 2.481 ( 5.759 7.506 4.264) 10.377 2.616 ( -1.494 5.577 0.688) 5.814 2.705 ( -2.814 1.550 4.321) 5.384 2.783 ( -3.142 -6.107 6.403) 9.390 2.822 ( -1.058 -4.159 3.329) 5.431 3.018 ( 3.946 -0.127 -8.201) 9.102 3.234 ( 3.670 -1.037 -2.927) 4.807 3.382 ( 1.205 1.482 -0.225) 1.923 3.394 ( -4.805 -1.677 4.608) 6.865 3.665 ( 0.047 -0.641 2.552) 2.632 3.762 ( 3.126 -0.932 4.785) 5.792 3.773 ( 2.274 -2.912 3.813) 5.309 3.860 ( 0.931 4.308 -1.080) 4.538 3.958 ( -0.562 -2.845 -3.920) 4.876 3.966 ( 3.991 0.302 -0.696) 4.063 4.161 ( -3.922 0.130 -1.103) 4.076 4.251 ( -3.491 1.643 -4.059) 5.600 4.327 ( 1.451 -1.104 0.362) 1.858 4.392 ( -1.404 -1.499 1.298) 2.430 4.431 ( 1.291 -0.373 -3.258) 3.524 4.548 ( -2.591 -7.418 -3.583) 8.636 4.791 ( -7.557 -1.687 -0.159) 7.745 4.856 ( 1.154 -2.222 -4.336) 5.007 5.029 ( -1.948 1.389 2.545) 3.493 5.100 ( -0.693 1.516 3.849) 4.194 5.114 ( -0.588 -2.626 -0.321) 2.710 5.217 ( -2.503 -1.082 -4.275) 5.071 5.492 ( 4.551 -0.762 -1.518) 4.858 5.590 ( -0.379 -1.795 -4.389) 4.757 5.730 ( -0.516 4.658 1.054) 4.803 5.911 ( -2.457 1.638 1.999) 3.566 5.955 ( 0.003 5.022 -5.748) 7.633 6.070 ( 0.057 4.640 -0.575) 4.676 6.097 ( -2.223 -0.578 -2.892) 3.693 6.217 ( 8.432 4.942 -3.183) 10.279 6.283 ( -3.235 0.582 3.235) 4.612 6.421 ( -0.715 -1.260 1.305) 1.950 6.496 ( 4.991 -0.564 -4.114) 6.493 6.511 ( -0.119 0.663 -1.963) 2.075 6.696 ( -0.240 -1.435 3.903) 4.165 6.773 ( -6.845 -4.374 1.335) 8.233 7.014 ( 7.539 4.698 -1.035) 8.943 7.107 ( 6.566 0.820 -2.363) 7.026 7.275 ( -3.835 1.419 6.181) 7.411 7.315 ( 2.081 -0.204 3.607) 4.169 7.954 ( -0.509 4.036 9.879) 10.683 8.117 ( 1.633 -3.589 4.143) 5.720 8.270 ( -2.527 -1.583 -1.913) 3.543 8.278 ( 3.054 2.486 -2.018) 4.425 8.370 ( -2.966 -3.540 -2.092) 5.070 8.544 ( -2.351 -5.583 -6.173) 8.649 8.611 ( -0.984 0.184 0.848) 1.312 8.709 ( 0.454 -3.539 -2.219) 4.202 11.081 ( 0.292 3.910 -0.699) 3.982 11.158 ( -0.247 4.634 -3.387) 5.745 11.237 ( 0.205 -2.593 0.802) 2.722 11.302 ( -0.244 -1.270 -1.086) 1.688 11.463 ( -0.848 1.207 0.636) 1.606 11.475 ( -1.055 0.897 0.237) 1.405 11.508 ( -1.091 2.204 2.312) 3.376 11.586 ( 0.745 1.707 -0.541) 1.940 11.700 ( 0.857 -0.223 1.682) 1.901 11.779 ( 0.648 -1.363 -0.057) 1.510 11.862 ( 0.130 1.928 -0.350) 1.964 11.963 ( 1.035 -1.977 -4.335) 4.875 16.469 ( 0.208 1.441 0.975) 1.753 16.521 ( -0.346 0.065 -1.098) 1.153 16.569 ( 0.282 -0.571 0.468) 0.790 16.602 ( -0.022 -0.963 -0.790) 1.246 23.291 ( 0.853 -5.786 1.911) 6.153 23.330 ( 0.504 -6.733 0.429) 6.766 23.961 ( 0.554 -1.243 5.216) 5.390 24.091 ( -1.320 -7.429 1.016) 7.613 24.531 ( 1.093 3.521 4.828) 6.075 24.633 ( -3.843 -0.073 3.327) 5.083 25.423 ( 6.759 4.744 9.110) 12.296 25.514 ( 5.234 -1.544 16.537) 17.414 25.707 ( -1.460 3.154 -4.072) 5.353 25.735 ( 0.879 3.195 -9.976) 10.512 26.067 ( -3.480 6.539 -9.303) 11.892 26.343 ( -5.597 -6.404 -14.697) 16.981 ======================= Grid point 173 (91/128) ======================= q-point: (-0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -13.328 5.959 5.038) 15.444 2.156 ( -9.886 -4.587 3.185) 11.354 2.480 ( -2.139 8.410 -4.595) 9.819 2.513 ( -5.120 4.048 9.704) 11.694 2.679 ( 3.120 1.909 2.928) 4.685 2.697 ( 3.099 2.572 -0.373) 4.045 2.807 ( -2.377 -1.379 4.896) 5.614 2.860 ( 3.240 -0.577 -1.809) 3.756 3.013 ( 3.509 -0.244 -5.097) 6.193 3.273 ( 2.857 -1.172 -1.683) 3.517 3.349 ( -1.767 2.839 -0.854) 3.451 3.436 ( -0.458 -7.386 6.321) 9.732 3.628 ( -5.705 -0.456 1.390) 5.890 3.792 ( -2.037 0.283 2.123) 2.956 3.836 ( -5.161 3.148 -2.594) 6.578 3.852 ( 1.799 -4.819 -0.596) 5.178 3.936 ( 2.814 1.748 -1.268) 3.547 4.008 ( 2.545 0.463 -1.175) 2.841 4.134 ( -2.319 1.882 -2.594) 3.956 4.176 ( 1.645 1.512 1.816) 2.879 4.303 ( -2.822 0.125 -1.954) 3.435 4.327 ( -3.608 -3.483 3.959) 6.389 4.467 ( -1.262 -5.898 -4.098) 7.292 4.519 ( 4.454 -5.431 1.246) 7.134 4.679 ( -3.951 -0.234 1.575) 4.260 4.786 ( -4.807 -4.893 0.155) 6.861 4.991 ( -6.300 1.530 2.256) 6.865 5.038 ( -2.603 -2.773 1.285) 4.014 5.140 ( -1.228 -0.153 4.165) 4.345 5.204 ( 2.494 -2.701 -1.374) 3.925 5.459 ( -3.940 -1.862 -4.121) 5.998 5.534 ( -0.236 -3.152 -3.374) 4.623 5.757 ( 0.550 7.020 2.992) 7.651 5.871 ( -0.705 2.216 -1.764) 2.919 5.949 ( 2.449 4.465 -1.841) 5.415 6.050 ( -1.805 4.720 1.350) 5.230 6.060 ( 0.943 -3.123 -3.842) 5.040 6.254 ( -1.877 -1.623 0.899) 2.639 6.325 ( 2.736 4.815 -0.962) 5.621 6.431 ( -2.958 -0.948 -0.845) 3.219 6.489 ( 5.803 2.180 -2.374) 6.638 6.540 ( 3.523 -0.524 -4.112) 5.441 6.707 ( -0.464 -2.353 1.707) 2.943 6.739 ( -0.365 -0.578 4.457) 4.510 7.079 ( 0.642 4.936 -2.015) 5.370 7.191 ( -1.322 -1.426 -1.767) 2.628 7.271 ( 8.314 7.713 0.144) 11.342 7.506 ( 12.149 -0.941 0.483) 12.195 8.051 ( 0.204 4.024 8.575) 9.475 8.137 ( -4.834 0.589 -1.823) 5.200 8.206 ( 0.525 -2.787 -0.115) 2.838 8.293 ( -3.046 -5.433 2.116) 6.579 8.342 ( 3.463 0.578 -1.438) 3.794 8.476 ( 2.044 -4.102 -2.914) 5.431 8.613 ( -0.176 -0.912 1.632) 1.878 8.699 ( 0.530 -4.426 -1.812) 4.812 11.083 ( 0.069 4.327 0.320) 4.340 11.126 ( 0.487 5.079 -2.877) 5.857 11.258 ( 0.601 -3.233 1.733) 3.717 11.292 ( 0.407 -1.622 -1.578) 2.299 11.415 ( -3.659 2.290 0.571) 4.354 11.472 ( -1.448 0.095 1.605) 2.163 11.518 ( 0.059 2.823 1.297) 3.108 11.594 ( 0.703 1.939 -0.077) 2.064 11.734 ( 0.452 -1.623 1.742) 2.423 11.759 ( -1.362 -1.882 -2.219) 3.213 11.881 ( 1.387 1.149 0.781) 1.963 11.931 ( 0.473 -1.029 -4.525) 4.665 16.488 ( 0.710 1.094 1.154) 1.741 16.508 ( 0.126 0.643 -1.115) 1.293 16.579 ( 0.324 -0.812 0.518) 1.016 16.593 ( -0.012 -0.932 -0.929) 1.316 23.281 ( -3.184 -5.382 0.559) 6.278 23.325 ( -1.437 -6.992 -0.460) 7.152 23.984 ( -4.503 -2.066 4.528) 6.712 24.036 ( -4.202 -6.689 0.079) 7.899 24.583 ( -3.323 3.998 2.147) 5.624 24.619 ( 1.881 0.946 4.698) 5.149 25.523 ( -8.102 3.515 1.633) 8.981 25.570 ( -5.858 2.450 -1.449) 6.512 25.624 ( 2.107 5.735 -7.287) 9.509 25.844 ( 9.292 -2.418 12.092) 15.440 26.090 ( 12.104 2.386 -2.176) 12.528 26.190 ( 5.786 -2.992 -11.943) 13.604 ======================= Grid point 174 (92/128) ======================= q-point: (-0.30 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -13.508 10.910 6.582) 18.569 1.917 ( -17.926 6.684 3.016) 19.368 2.386 ( -2.930 1.484 -6.232) 7.044 2.508 ( -4.608 -0.710 6.775) 8.224 2.673 ( -0.426 -1.212 -5.440) 5.590 2.734 ( -1.430 -1.384 0.022) 1.991 2.767 ( -2.891 5.678 -0.324) 6.380 2.887 ( -2.035 2.418 2.598) 4.091 3.045 ( 1.772 -4.591 -1.525) 5.152 3.208 ( -7.760 -5.057 -0.653) 9.285 3.339 ( -0.165 12.458 -5.188) 13.496 3.459 ( -1.959 -2.505 3.467) 4.704 3.480 ( -9.702 -2.697 -2.614) 10.404 3.654 ( -7.980 5.789 4.283) 10.749 3.766 ( -2.503 1.534 -2.693) 3.983 3.893 ( -5.337 -1.307 -1.433) 5.679 3.902 ( 1.277 -4.321 -2.121) 4.980 4.058 ( 0.139 1.773 -3.263) 3.716 4.088 ( 5.572 -2.787 2.374) 6.667 4.241 ( 0.584 2.577 -1.512) 3.045 4.280 ( 2.712 -2.743 3.369) 5.121 4.356 ( 0.703 -0.658 1.432) 1.725 4.436 ( 3.316 -5.888 2.567) 7.229 4.609 ( -1.065 -2.583 6.007) 6.625 4.662 ( 1.024 1.279 -1.011) 1.925 4.747 ( 1.075 -7.712 1.073) 7.860 4.927 ( -2.679 -0.659 3.541) 4.489 5.039 ( 0.530 -3.490 3.401) 4.901 5.159 ( -2.277 -2.817 6.612) 7.539 5.251 ( 3.043 -4.769 0.556) 5.684 5.318 ( -5.716 -0.452 -6.860) 8.941 5.504 ( 0.755 -6.293 -4.325) 7.674 5.788 ( -0.188 5.571 1.719) 5.833 5.869 ( 2.498 2.465 -3.063) 4.658 5.978 ( 3.194 2.537 -1.881) 4.492 6.026 ( -0.096 -0.651 -0.941) 1.149 6.076 ( 0.935 3.283 3.339) 4.775 6.232 ( -0.733 -0.191 0.117) 0.767 6.303 ( -3.649 3.328 1.074) 5.054 6.368 ( -2.687 0.204 1.059) 2.896 6.556 ( 2.508 2.182 -2.860) 4.386 6.594 ( 6.463 0.237 -2.142) 6.813 6.723 ( -2.134 0.958 2.899) 3.725 6.810 ( 4.496 0.279 2.677) 5.240 7.046 ( -1.299 3.765 -2.187) 4.543 7.133 ( -1.597 -0.714 -2.638) 3.165 7.409 ( 6.350 11.590 -2.996) 13.551 7.687 ( 9.336 0.265 -4.082) 10.193 8.010 ( -4.957 2.302 -1.337) 5.626 8.107 ( 0.356 2.323 0.757) 2.469 8.180 ( 0.401 -1.958 -4.397) 4.830 8.286 ( -2.349 -4.689 3.916) 6.545 8.436 ( 4.747 -0.505 3.872) 6.147 8.542 ( 3.519 -8.236 1.012) 9.014 8.646 ( 3.039 -1.879 0.378) 3.593 8.695 ( 1.126 -5.128 -1.216) 5.389 11.075 ( -0.863 5.461 -1.019) 5.622 11.130 ( 0.715 5.105 0.685) 5.200 11.260 ( -2.100 0.797 -2.098) 3.073 11.288 ( 0.619 -3.177 1.638) 3.628 11.390 ( 0.426 -0.207 1.683) 1.748 11.454 ( -1.905 0.295 1.657) 2.542 11.531 ( -0.077 1.266 1.495) 1.961 11.607 ( 0.098 1.651 0.883) 1.874 11.707 ( -1.479 -1.718 -2.268) 3.206 11.739 ( -1.035 -2.643 0.446) 2.874 11.897 ( 0.861 1.044 -2.271) 2.643 11.920 ( 1.563 0.336 -0.415) 1.651 16.500 ( 0.480 0.890 -0.804) 1.292 16.520 ( 1.161 0.517 1.044) 1.645 16.581 ( -0.078 -0.620 -0.861) 1.064 16.593 ( 0.397 -0.691 0.444) 0.912 23.196 ( -5.657 -4.215 -1.488) 7.210 23.266 ( -4.100 -6.217 -0.920) 7.504 23.851 ( -10.561 -0.659 -1.403) 10.674 23.956 ( -8.154 -5.822 2.768) 10.394 24.548 ( -1.150 5.566 0.736) 5.731 24.707 ( 1.982 -1.576 5.338) 5.909 25.339 ( -6.074 3.816 -8.814) 11.364 25.394 ( -7.794 0.958 -2.966) 8.394 25.614 ( 1.291 9.188 -5.317) 10.694 26.021 ( 6.497 -8.744 -3.278) 11.376 26.374 ( 16.311 1.645 4.985) 17.135 26.417 ( 16.990 0.238 10.003) 19.718 ======================= Grid point 175 (93/128) ======================= q-point: (-0.20 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -12.248 14.331 7.242) 20.195 1.651 ( -14.731 14.377 7.656) 21.961 2.212 ( -10.140 -4.125 -4.849) 11.973 2.481 ( -5.012 -7.352 4.490) 9.966 2.552 ( -2.845 1.340 -9.589) 10.092 2.669 ( -4.466 -2.167 -1.794) 5.279 2.734 ( -5.019 3.672 4.026) 7.409 2.819 ( -10.018 9.222 9.172) 16.417 3.006 ( -5.095 -6.758 1.905) 8.675 3.101 ( -1.640 2.248 -3.654) 4.593 3.136 ( -9.053 8.668 -10.215) 16.169 3.345 ( -3.009 3.586 -2.567) 5.338 3.427 ( -3.979 3.760 1.894) 5.792 3.599 ( -3.321 -7.293 -3.439) 8.721 3.714 ( -0.205 5.009 -1.075) 5.127 3.780 ( -2.536 -4.843 -2.294) 5.928 3.864 ( -1.416 -0.302 -4.207) 4.449 4.034 ( 0.024 -4.633 -1.381) 4.835 4.202 ( -0.147 -3.390 0.551) 3.438 4.242 ( 2.511 0.580 -0.650) 2.658 4.346 ( 0.920 -2.715 5.470) 6.176 4.415 ( 2.733 -2.997 -2.137) 4.584 4.548 ( 4.690 1.423 -0.653) 4.944 4.633 ( 1.185 0.038 8.328) 8.412 4.733 ( 5.027 -0.243 2.846) 5.782 4.813 ( 4.008 -7.385 2.314) 8.716 4.924 ( -0.064 -0.452 -1.821) 1.878 5.105 ( -3.317 0.202 -5.087) 6.076 5.135 ( 2.695 -8.314 4.209) 9.700 5.224 ( 0.388 -1.539 4.027) 4.329 5.334 ( 3.504 -2.637 2.393) 4.996 5.480 ( 0.645 -8.018 -0.849) 8.089 5.781 ( -0.606 3.827 -0.509) 3.908 5.892 ( 2.357 -0.777 -0.984) 2.670 6.037 ( 1.853 3.025 0.657) 3.608 6.059 ( 4.113 1.253 2.240) 4.848 6.135 ( 0.465 3.091 3.529) 4.715 6.221 ( -0.487 2.262 0.321) 2.336 6.255 ( -2.770 2.890 2.455) 4.695 6.376 ( 1.690 -1.529 2.464) 3.356 6.545 ( -1.529 4.422 -1.871) 5.039 6.679 ( 2.188 -0.363 1.374) 2.609 6.720 ( 1.557 4.372 1.912) 5.020 6.903 ( 2.760 -1.744 2.257) 3.969 7.007 ( 0.340 4.213 -3.398) 5.423 7.079 ( -1.782 0.747 -2.423) 3.100 7.421 ( -1.474 13.156 -3.198) 13.619 7.782 ( 7.509 -0.906 -5.466) 9.332 7.948 ( -1.879 2.910 0.909) 3.581 8.104 ( -0.653 -1.349 -0.509) 1.583 8.175 ( 2.967 -1.054 -2.816) 4.224 8.254 ( -5.319 -4.780 2.948) 7.735 8.526 ( 3.602 -0.034 -2.173) 4.207 8.567 ( -0.326 -9.398 -2.122) 9.640 8.673 ( 0.217 -3.384 -0.564) 3.438 8.754 ( 6.501 -3.830 -4.480) 8.775 11.033 ( -2.531 5.817 -1.213) 6.459 11.118 ( -2.731 3.956 -0.875) 4.886 11.231 ( -0.324 3.296 2.715) 4.282 11.309 ( 0.317 -2.982 0.679) 3.075 11.431 ( 1.315 -2.382 1.585) 3.149 11.453 ( -0.432 0.093 2.534) 2.572 11.548 ( 0.314 0.212 1.604) 1.648 11.603 ( -0.312 0.843 -0.919) 1.285 11.670 ( -0.894 -1.476 -1.153) 2.076 11.726 ( -1.574 -2.840 2.577) 4.145 11.912 ( 2.834 2.298 -0.388) 3.669 11.948 ( 1.980 0.763 -0.235) 2.135 16.505 ( 0.815 0.906 -0.601) 1.359 16.551 ( 1.107 -0.531 0.725) 1.426 16.573 ( 0.046 0.394 -0.483) 0.625 16.605 ( 0.377 -0.457 0.528) 0.794 23.058 ( -6.947 -1.382 -2.285) 7.442 23.178 ( -4.368 -5.238 -0.159) 6.823 23.608 ( -13.508 2.661 -2.633) 14.018 23.786 ( -11.556 -4.838 0.207) 12.530 24.563 ( 0.943 5.698 2.046) 6.128 24.788 ( 1.101 -3.550 5.387) 6.545 25.163 ( -3.121 5.343 -9.294) 11.165 25.265 ( -3.767 -0.834 -2.280) 4.482 25.585 ( 1.052 11.322 -4.109) 12.090 26.081 ( 6.217 -10.039 -7.808) 14.157 26.716 ( 14.768 1.974 5.774) 15.979 26.850 ( 16.684 -4.106 12.455) 21.221 ======================= Grid point 176 (94/128) ======================= q-point: (-0.10 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -9.601 15.115 11.131) 21.084 1.577 ( -7.376 18.441 14.396) 24.530 2.013 ( -6.481 -8.566 1.053) 10.793 2.406 ( -4.671 -5.067 -0.275) 6.897 2.442 ( -1.323 -1.094 -5.901) 6.145 2.539 ( -6.401 -6.736 -3.980) 10.108 2.650 ( -9.483 12.929 10.952) 19.418 2.772 ( -3.946 4.686 3.794) 7.206 2.830 ( -8.583 6.368 -8.838) 13.869 2.979 ( -2.025 1.648 1.417) 2.970 3.082 ( 1.296 -1.973 -6.431) 6.850 3.306 ( 0.303 2.589 -0.190) 2.614 3.362 ( -2.486 -1.505 -2.570) 3.880 3.464 ( -6.896 -2.357 -3.913) 8.272 3.648 ( -2.681 -4.301 -3.834) 6.355 3.775 ( -0.039 2.181 -6.037) 6.419 3.824 ( 5.489 4.277 -4.971) 8.552 4.049 ( 2.450 -7.196 -0.133) 7.603 4.142 ( -3.736 -3.127 -2.064) 5.291 4.208 ( -4.697 -9.094 -0.531) 10.249 4.369 ( -2.738 4.121 0.100) 4.948 4.454 ( 3.793 0.890 5.248) 6.537 4.626 ( 3.198 -2.672 -1.306) 4.367 4.761 ( 3.292 2.532 6.305) 7.550 4.838 ( 1.942 -1.588 2.747) 3.720 4.874 ( -0.639 1.260 -7.811) 7.937 4.937 ( 5.313 -8.234 2.515) 10.117 5.039 ( 3.067 -2.203 -0.860) 3.873 5.251 ( 2.904 -4.021 3.354) 5.988 5.285 ( 4.101 -5.165 0.038) 6.595 5.423 ( 2.483 0.879 4.309) 5.050 5.533 ( 2.674 -4.093 4.326) 6.528 5.780 ( -0.463 2.297 3.135) 3.914 5.892 ( -1.644 -2.000 -0.924) 2.749 6.070 ( -1.397 0.524 0.222) 1.508 6.103 ( -1.103 1.367 0.808) 1.933 6.159 ( 1.160 3.571 2.110) 4.307 6.238 ( 0.260 3.297 0.997) 3.454 6.279 ( 0.814 3.792 6.216) 7.327 6.439 ( 0.954 -1.885 3.165) 3.806 6.514 ( 1.594 5.639 -2.267) 6.283 6.711 ( 1.746 -1.157 2.336) 3.137 6.797 ( 0.855 4.226 3.190) 5.363 6.974 ( 3.916 -3.342 1.725) 5.429 7.003 ( 0.334 3.372 1.488) 3.701 7.044 ( 2.328 1.258 -2.523) 3.656 7.317 ( -4.625 12.603 -4.949) 14.308 7.856 ( 2.639 -3.100 -2.957) 5.032 7.957 ( 3.132 1.673 0.114) 3.553 8.054 ( -6.638 -8.925 1.661) 11.247 8.155 ( -5.290 0.737 -0.068) 5.342 8.218 ( 2.913 -2.187 -0.525) 3.680 8.492 ( -0.378 -3.541 -10.351) 10.946 8.539 ( 0.764 -2.673 -2.419) 3.685 8.646 ( -0.856 -0.250 -3.623) 3.731 8.792 ( 4.571 -3.231 -8.258) 9.977 10.980 ( -2.125 4.885 0.198) 5.331 11.055 ( -2.507 2.817 -0.719) 3.839 11.264 ( -0.259 3.603 3.752) 5.208 11.316 ( 0.068 -1.355 0.469) 1.435 11.452 ( -0.229 -3.819 0.543) 3.864 11.470 ( -0.691 -1.383 2.735) 3.142 11.569 ( -0.131 2.053 2.018) 2.882 11.606 ( 1.888 0.770 -1.467) 2.512 11.651 ( 0.459 -2.065 -0.975) 2.329 11.714 ( -3.105 -2.509 2.795) 4.873 11.979 ( 2.993 2.088 0.860) 3.749 11.999 ( 3.143 1.296 1.692) 3.797 16.517 ( 0.887 0.791 -0.200) 1.205 16.558 ( -0.105 -0.675 -0.645) 0.940 16.586 ( 0.872 0.689 0.828) 1.386 16.614 ( 0.102 -0.252 0.403) 0.487 22.949 ( -2.672 3.116 0.683) 4.161 23.133 ( -1.066 -4.600 2.010) 5.132 23.351 ( -11.308 5.271 -2.656) 12.755 23.578 ( -9.771 -4.719 -2.291) 11.090 24.606 ( 0.579 5.925 3.419) 6.865 24.843 ( -0.733 -3.233 4.479) 5.572 25.051 ( -0.740 6.243 -6.687) 9.178 25.208 ( -0.533 -2.377 -2.064) 3.192 25.584 ( 1.871 10.886 -1.038) 11.094 26.082 ( 3.540 -10.148 -10.353) 14.923 26.990 ( 9.228 1.661 5.454) 10.847 27.185 ( 8.866 -7.989 6.139) 13.421 ======================= Grid point 177 (95/128) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 1.681 -15.821 9.961) 18.771 1.763 ( 1.681 15.821 9.961) 18.771 2.025 ( -3.991 -18.880 10.529) 21.983 2.025 ( -3.991 18.880 10.529) 21.983 2.375 ( 1.564 -1.723 -8.663) 8.970 2.375 ( 1.564 1.723 -8.663) 8.970 2.658 ( -5.086 -2.459 -11.564) 12.870 2.658 ( -5.086 2.459 -11.564) 12.870 2.906 ( 2.495 -6.611 -1.048) 7.144 2.906 ( 2.495 6.611 -1.048) 7.144 3.156 ( -0.281 -3.627 -0.039) 3.638 3.156 ( -0.281 3.627 -0.039) 3.638 3.393 ( 1.399 -7.359 -2.373) 7.858 3.393 ( 1.399 7.359 -2.373) 7.858 3.636 ( -6.160 -11.949 4.213) 14.088 3.636 ( -6.160 11.949 4.213) 14.088 3.945 ( 1.169 -3.080 -3.848) 5.066 3.945 ( 1.169 3.080 -3.848) 5.066 4.035 ( 2.423 -3.257 0.134) 4.062 4.035 ( 2.423 3.257 0.134) 4.062 4.479 ( -0.531 -4.984 3.313) 6.008 4.479 ( -0.531 4.984 3.313) 6.008 4.721 ( -0.550 -5.396 -1.212) 5.558 4.721 ( -0.550 5.396 -1.212) 5.558 4.844 ( 0.156 -1.057 0.281) 1.105 4.844 ( 0.156 1.057 0.281) 1.105 5.028 ( 2.268 -3.953 0.855) 4.637 5.028 ( 2.268 3.953 0.855) 4.637 5.292 ( 2.863 -2.910 1.347) 4.299 5.292 ( 2.863 2.910 1.347) 4.299 5.530 ( -0.158 -4.565 0.453) 4.590 5.530 ( -0.158 4.565 0.453) 4.590 5.833 ( 0.196 -1.176 4.145) 4.313 5.833 ( 0.196 1.176 4.145) 4.313 6.054 ( -1.762 -1.723 -2.447) 3.473 6.054 ( -1.762 1.723 -2.447) 3.473 6.257 ( -1.410 -2.341 1.574) 3.154 6.257 ( -1.410 2.341 1.574) 3.154 6.371 ( -2.500 -3.184 4.388) 5.970 6.371 ( -2.500 3.184 4.388) 5.970 6.750 ( 2.569 -3.307 1.915) 4.604 6.750 ( 2.569 3.307 1.915) 4.604 6.929 ( 0.937 -8.847 5.420) 10.417 6.929 ( 0.937 8.847 5.420) 10.417 7.084 ( 3.926 -4.303 0.451) 5.842 7.084 ( 3.926 4.303 0.451) 5.842 7.454 ( -5.816 -13.020 -7.593) 16.156 7.454 ( -5.816 13.020 -7.593) 16.156 8.009 ( 1.815 -2.071 -0.419) 2.785 8.009 ( 1.815 2.071 -0.419) 2.785 8.166 ( -1.421 -3.290 1.059) 3.737 8.166 ( -1.421 3.290 1.059) 3.737 8.426 ( 1.592 -2.995 -7.407) 8.147 8.426 ( 1.592 2.995 -7.407) 8.147 8.677 ( 0.476 -4.447 -5.881) 7.388 8.677 ( 0.476 4.447 -5.881) 7.388 11.037 ( -0.019 -1.593 0.167) 1.602 11.037 ( -0.019 1.593 0.167) 1.602 11.343 ( 0.408 -2.095 2.550) 3.325 11.343 ( 0.408 2.095 2.550) 3.325 11.403 ( -0.656 -2.185 0.064) 2.282 11.403 ( -0.656 2.185 0.064) 2.282 11.605 ( -2.741 -1.908 0.595) 3.393 11.605 ( -2.741 1.908 0.595) 3.393 11.669 ( 2.145 -1.200 1.101) 2.694 11.669 ( 2.145 1.200 1.101) 2.694 12.062 ( 0.604 -0.461 1.863) 2.012 12.062 ( 0.604 0.461 1.863) 2.012 16.541 ( -0.033 -0.445 -0.181) 0.482 16.541 ( -0.033 0.445 -0.181) 0.482 16.612 ( 0.124 -0.238 0.380) 0.465 16.612 ( 0.124 0.238 0.380) 0.465 23.096 ( 3.980 -4.783 4.169) 7.490 23.096 ( 3.980 4.783 4.169) 7.490 23.293 ( -4.478 -5.854 -4.111) 8.439 23.293 ( -4.478 5.854 -4.111) 8.439 24.767 ( -2.504 -5.680 5.561) 8.334 24.767 ( -2.504 5.680 5.561) 8.334 25.113 ( 1.381 -4.561 -4.742) 6.722 25.113 ( 1.381 4.561 -4.742) 6.722 25.817 ( 1.534 -9.485 -5.220) 10.934 25.817 ( 1.534 9.485 -5.220) 10.934 27.170 ( -0.241 -2.946 3.244) 4.389 27.170 ( -0.241 2.946 3.244) 4.389 ======================= Grid point 179 (96/128) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 0.726 -13.138 4.919) 14.047 1.869 ( 0.726 13.138 4.919) 14.047 2.091 ( -3.310 -12.345 12.304) 17.741 2.091 ( -3.310 12.345 12.304) 17.741 2.384 ( 7.155 -4.706 -8.768) 12.256 2.384 ( 7.155 4.706 -8.768) 12.256 2.537 ( 5.607 -7.773 -5.745) 11.174 2.537 ( 5.607 7.773 -5.745) 11.174 2.951 ( 2.313 -3.586 -2.300) 4.848 2.951 ( 2.313 3.586 -2.300) 4.848 3.198 ( 6.353 -3.909 -1.745) 7.661 3.198 ( 6.353 3.909 -1.745) 7.661 3.457 ( 6.125 -9.044 2.722) 11.257 3.457 ( 6.125 9.044 2.722) 11.257 3.572 ( -5.022 -10.470 4.372) 12.408 3.572 ( -5.022 10.470 4.372) 12.408 3.894 ( -1.523 -1.041 -4.800) 5.142 3.894 ( -1.523 1.041 -4.800) 5.142 4.114 ( 4.706 -4.322 1.100) 6.484 4.114 ( 4.706 4.322 1.100) 6.484 4.511 ( 0.473 -1.339 3.064) 3.377 4.511 ( 0.473 1.339 3.064) 3.377 4.663 ( -3.167 -1.096 -2.184) 4.000 4.663 ( -3.167 1.096 -2.184) 4.000 4.842 ( -2.377 -4.912 2.486) 5.996 4.842 ( -2.377 4.912 2.486) 5.996 5.040 ( 0.225 -2.348 -2.160) 3.199 5.040 ( 0.225 2.348 -2.160) 3.199 5.270 ( -6.088 -7.121 -0.701) 9.395 5.270 ( -6.088 7.121 -0.701) 9.395 5.539 ( 1.992 -3.649 -0.080) 4.158 5.539 ( 1.992 3.649 -0.080) 4.158 5.903 ( 0.930 -1.063 3.696) 3.956 5.903 ( 0.930 1.063 3.696) 3.956 6.010 ( 0.748 -1.244 -2.079) 2.535 6.010 ( 0.748 1.244 -2.079) 2.535 6.222 ( -3.226 -1.410 0.378) 3.541 6.222 ( -3.226 1.410 0.378) 3.541 6.380 ( -0.979 -2.669 4.241) 5.105 6.380 ( -0.979 2.669 4.241) 5.105 6.752 ( -2.209 -1.238 0.497) 2.581 6.752 ( -2.209 1.238 0.497) 2.581 6.938 ( -6.186 -3.882 4.058) 8.355 6.938 ( -6.186 3.882 4.058) 8.355 7.154 ( 1.916 -5.668 -4.869) 7.714 7.154 ( 1.916 5.668 -4.869) 7.714 7.373 ( 3.836 -9.556 -0.806) 10.328 7.373 ( 3.836 9.556 -0.806) 10.328 8.021 ( 1.025 -2.312 0.088) 2.531 8.021 ( 1.025 2.312 0.088) 2.531 8.156 ( -1.450 -1.960 0.188) 2.446 8.156 ( -1.450 1.960 0.188) 2.446 8.399 ( 2.648 -3.688 -5.183) 6.890 8.399 ( 2.648 3.688 -5.183) 6.890 8.634 ( -0.457 -2.520 -2.281) 3.430 8.634 ( -0.457 2.520 -2.281) 3.430 11.058 ( 2.085 -0.357 -0.160) 2.121 11.058 ( 2.085 0.357 -0.160) 2.121 11.360 ( -0.828 -2.700 1.000) 2.996 11.360 ( -0.828 2.700 1.000) 2.996 11.412 ( 1.654 -1.520 0.762) 2.372 11.412 ( 1.654 1.520 0.762) 2.372 11.561 ( -2.989 -2.424 1.207) 4.033 11.561 ( -2.989 2.424 1.207) 4.033 11.719 ( 2.693 -1.580 -0.151) 3.126 11.719 ( 2.693 1.580 -0.151) 3.126 12.053 ( -2.828 -1.144 0.591) 3.107 12.053 ( -2.828 1.144 0.591) 3.107 16.532 ( -0.729 -0.629 -0.095) 0.967 16.532 ( -0.729 0.629 -0.095) 0.967 16.615 ( -0.042 -0.422 0.134) 0.445 16.615 ( -0.042 0.422 0.134) 0.445 23.136 ( -1.733 -5.652 -0.996) 5.995 23.136 ( -1.733 5.652 -0.996) 5.995 23.334 ( 10.421 -3.912 1.174) 11.193 23.334 ( 10.421 3.912 1.174) 11.193 24.750 ( -5.109 -4.987 5.230) 8.850 24.750 ( -5.109 4.987 5.230) 8.850 25.100 ( 1.856 -4.748 -4.201) 6.606 25.100 ( 1.856 4.748 -4.201) 6.606 25.802 ( 1.864 -3.810 -3.852) 5.729 25.802 ( 1.864 3.810 -3.852) 5.729 27.124 ( -7.430 -1.241 2.268) 7.867 27.124 ( -7.430 1.241 2.268) 7.867 ======================= Grid point 181 (97/128) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 0.314 -4.772 -1.159) 4.921 1.882 ( 0.314 4.772 -1.159) 4.921 2.170 ( -0.511 -7.590 12.636) 14.749 2.170 ( -0.511 7.590 12.636) 14.749 2.415 ( 4.026 -3.666 -2.707) 6.081 2.415 ( 4.026 3.666 -2.707) 6.081 2.715 ( 10.226 -2.287 0.020) 10.479 2.715 ( 10.226 2.287 0.020) 10.479 2.960 ( 3.971 -1.275 -2.060) 4.652 2.960 ( 3.971 1.275 -2.060) 4.652 3.293 ( 5.778 -5.402 -3.834) 8.790 3.293 ( 5.778 5.402 -3.834) 8.790 3.489 ( -3.723 -5.830 2.672) 7.415 3.489 ( -3.723 5.830 2.672) 7.415 3.691 ( 7.583 -2.244 2.756) 8.375 3.691 ( 7.583 2.244 2.756) 8.375 3.857 ( 4.018 -1.383 -0.376) 4.266 3.857 ( 4.018 1.383 -0.376) 4.266 4.216 ( 4.804 -1.666 1.842) 5.408 4.216 ( 4.804 1.666 1.842) 5.408 4.493 ( -4.570 -3.820 -0.960) 6.033 4.493 ( -4.570 3.820 -0.960) 6.033 4.636 ( 2.186 -2.477 -0.267) 3.314 4.636 ( 2.186 2.477 -0.267) 3.314 4.811 ( -2.872 -6.021 2.760) 7.219 4.811 ( -2.872 6.021 2.760) 7.219 5.010 ( 0.122 -3.100 -3.771) 4.883 5.010 ( 0.122 3.100 -3.771) 4.883 5.132 ( -6.404 -6.786 -0.825) 9.368 5.132 ( -6.404 6.786 -0.825) 9.368 5.554 ( -0.311 -1.113 -2.146) 2.438 5.554 ( -0.311 1.113 -2.146) 2.438 5.885 ( -2.275 -2.232 -1.106) 3.374 5.885 ( -2.275 2.232 -1.106) 3.374 6.053 ( 0.872 -0.180 3.128) 3.252 6.053 ( 0.872 0.180 3.128) 3.252 6.181 ( -0.413 -3.308 -1.144) 3.524 6.181 ( -0.413 3.308 -1.144) 3.524 6.406 ( 0.719 -1.255 1.451) 2.048 6.406 ( 0.719 1.255 1.451) 2.048 6.694 ( -4.315 -1.892 -0.876) 4.792 6.694 ( -4.315 1.892 -0.876) 4.792 6.855 ( -5.381 -0.839 3.783) 6.631 6.855 ( -5.381 0.839 3.783) 6.631 7.093 ( 0.536 -3.803 -9.131) 9.906 7.093 ( 0.536 3.803 -9.131) 9.906 7.428 ( -2.755 -8.136 4.743) 9.813 7.428 ( -2.755 8.136 4.743) 9.813 8.082 ( -1.981 -4.821 2.702) 5.871 8.082 ( -1.981 4.821 2.702) 5.871 8.110 ( 3.475 -4.316 -1.391) 5.713 8.110 ( 3.475 4.316 -1.391) 5.713 8.416 ( 2.487 -0.546 -2.304) 3.434 8.416 ( 2.487 0.546 -2.304) 3.434 8.627 ( 0.945 -0.292 0.269) 1.025 8.627 ( 0.945 0.292 0.269) 1.025 11.100 ( 2.630 -1.072 -0.324) 2.859 11.100 ( 2.630 1.072 -0.324) 2.859 11.343 ( -1.042 -2.502 -0.641) 2.785 11.343 ( -1.042 2.502 -0.641) 2.785 11.461 ( 2.021 -1.438 1.349) 2.823 11.461 ( 2.021 1.438 1.349) 2.823 11.527 ( -2.078 -2.618 1.362) 3.609 11.527 ( -2.078 2.618 1.362) 3.609 11.755 ( 1.763 -2.737 -1.135) 3.448 11.755 ( 1.763 2.737 -1.135) 3.448 11.988 ( -3.553 -1.414 -0.848) 3.917 11.988 ( -3.553 1.414 -0.848) 3.917 16.516 ( -0.867 -1.311 0.033) 1.572 16.516 ( -0.867 1.311 0.033) 1.572 16.611 ( -0.344 -0.851 -0.198) 0.939 16.611 ( -0.344 0.851 -0.198) 0.939 23.114 ( 1.427 -4.845 -1.842) 5.376 23.114 ( 1.427 4.845 -1.842) 5.376 23.562 ( 11.309 -3.618 3.110) 12.274 23.562 ( 11.309 3.618 3.110) 12.274 24.692 ( -6.299 -4.947 4.430) 9.153 24.692 ( -6.299 4.947 4.430) 9.153 25.100 ( 1.697 -3.170 -1.808) 4.025 25.100 ( 1.697 3.170 -1.808) 4.025 25.810 ( 2.816 -1.455 -3.469) 4.699 25.810 ( 2.816 1.455 -3.469) 4.699 26.963 ( -11.425 -4.572 0.274) 12.308 26.963 ( -11.425 4.572 0.274) 12.308 ======================= Grid point 183 (98/128) ======================= q-point: ( 0.30 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 3.338 -4.488 1.609) 5.820 1.913 ( 3.338 4.488 1.609) 5.820 2.303 ( 2.536 -6.031 10.308) 12.209 2.303 ( 2.536 6.031 10.308) 12.209 2.475 ( 1.993 -2.062 2.932) 4.102 2.475 ( 1.993 2.062 2.932) 4.102 2.773 ( -0.954 -4.595 -0.330) 4.704 2.773 ( -0.954 4.595 -0.330) 4.704 3.100 ( 6.310 -4.279 2.187) 7.932 3.100 ( 6.310 4.279 2.187) 7.932 3.335 ( 5.437 -5.077 -3.631) 8.278 3.335 ( 5.437 5.077 -3.631) 8.278 3.486 ( -0.685 -4.453 4.291) 6.222 3.486 ( -0.685 4.453 4.291) 6.222 3.747 ( 3.862 -6.356 -4.330) 8.606 3.747 ( 3.862 6.356 -4.330) 8.606 3.990 ( 3.332 -1.517 2.416) 4.387 3.990 ( 3.332 1.517 2.416) 4.387 4.288 ( 0.236 -2.360 1.697) 2.916 4.288 ( 0.236 2.360 1.697) 2.916 4.408 ( -1.404 -1.924 -2.720) 3.615 4.408 ( -1.404 1.924 -2.720) 3.615 4.617 ( -3.547 -3.639 -2.168) 5.525 4.617 ( -3.547 3.639 -2.168) 5.525 4.859 ( 2.693 -3.604 1.668) 4.799 4.859 ( 2.693 3.604 1.668) 4.799 5.001 ( 4.765 -7.398 -4.224) 9.761 5.001 ( 4.765 7.398 -4.224) 9.761 5.084 ( 1.203 -5.493 3.775) 6.773 5.084 ( 1.203 5.493 3.775) 6.773 5.484 ( -1.404 -2.603 -6.732) 7.353 5.484 ( -1.404 2.603 -6.732) 7.353 5.845 ( -0.677 -4.439 -1.272) 4.667 5.845 ( -0.677 4.439 -1.272) 4.667 6.070 ( -0.664 -1.336 0.827) 1.706 6.070 ( -0.664 1.336 0.827) 1.706 6.178 ( 0.902 -4.161 -0.669) 4.310 6.178 ( 0.902 4.161 -0.669) 4.310 6.434 ( 1.636 -2.593 -0.527) 3.110 6.434 ( 1.636 2.593 -0.527) 3.110 6.579 ( -6.745 -2.293 -1.596) 7.301 6.579 ( -6.745 2.293 -1.596) 7.301 6.824 ( -3.609 -2.974 4.548) 6.523 6.824 ( -3.609 2.974 4.548) 6.523 7.014 ( -0.295 -2.676 -6.712) 7.231 7.014 ( -0.295 2.676 -6.712) 7.231 7.385 ( -6.955 -5.224 6.719) 10.991 7.385 ( -6.955 5.224 6.719) 10.991 8.008 ( -4.447 -4.245 1.854) 6.421 8.008 ( -4.447 4.245 1.854) 6.421 8.229 ( 5.454 -8.717 0.581) 10.299 8.229 ( 5.454 8.717 0.581) 10.299 8.426 ( 0.817 -2.741 -1.488) 3.224 8.426 ( 0.817 2.741 -1.488) 3.224 8.661 ( 1.923 -1.401 0.048) 2.380 8.661 ( 1.923 1.401 0.048) 2.380 11.140 ( 1.776 -2.215 0.090) 2.841 11.140 ( 1.776 2.215 0.090) 2.841 11.315 ( -0.731 -1.784 -1.621) 2.519 11.315 ( -0.731 1.784 -1.621) 2.519 11.493 ( 0.788 -1.425 -0.849) 1.836 11.493 ( 0.788 1.425 -0.849) 1.836 11.518 ( -1.011 -1.313 3.004) 3.431 11.518 ( -1.011 1.313 3.004) 3.431 11.755 ( -0.044 -4.135 -1.688) 4.467 11.755 ( -0.044 4.135 -1.688) 4.467 11.936 ( -0.753 -2.695 -1.447) 3.150 11.936 ( -0.753 2.695 -1.447) 3.150 16.504 ( -0.592 -1.781 0.209) 1.888 16.504 ( -0.592 1.781 0.209) 1.888 16.600 ( -0.473 -1.127 -0.491) 1.317 16.600 ( -0.473 1.127 -0.491) 1.317 23.147 ( 3.095 -3.612 -0.387) 4.772 23.147 ( 3.095 3.612 -0.387) 4.772 23.776 ( 8.252 -4.253 3.693) 9.991 23.776 ( 8.252 4.253 3.693) 9.991 24.624 ( -5.515 -5.164 4.305) 8.696 24.624 ( -5.515 5.164 4.305) 8.696 25.142 ( 2.905 -1.562 2.748) 4.293 25.142 ( 2.905 1.562 2.748) 4.293 25.824 ( 2.919 -3.421 -4.873) 6.631 25.824 ( 2.919 3.421 -4.873) 6.631 26.729 ( -12.482 -6.753 -3.663) 14.657 26.729 ( -12.482 6.753 -3.663) 14.657 ======================= Grid point 185 (99/128) ======================= q-point: ( 0.40 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 4.099 -2.163 3.142) 5.600 2.014 ( 4.099 2.163 3.142) 5.600 2.453 ( 3.307 -5.002 8.964) 10.785 2.453 ( 3.307 5.002 8.964) 10.785 2.547 ( 0.515 -2.968 8.581) 9.094 2.547 ( 0.515 2.968 8.581) 9.094 2.749 ( -1.910 -2.631 1.352) 3.521 2.749 ( -1.910 2.631 1.352) 3.521 3.119 ( -2.126 -4.025 -1.412) 4.766 3.119 ( -2.126 4.025 -1.412) 4.766 3.429 ( 2.185 -0.755 -0.090) 2.314 3.429 ( 2.185 0.755 -0.090) 2.314 3.560 ( 5.780 -3.530 4.666) 8.225 3.560 ( 5.780 3.530 4.666) 8.225 3.783 ( 4.783 -8.831 -4.265) 10.911 3.783 ( 4.783 8.831 -4.265) 10.911 3.993 ( -2.792 -2.638 0.223) 3.848 3.993 ( -2.792 2.638 0.223) 3.848 4.278 ( -2.444 -1.964 0.397) 3.160 4.278 ( -2.444 1.964 0.397) 3.160 4.381 ( 0.936 -1.577 -2.015) 2.724 4.381 ( 0.936 1.577 -2.015) 2.724 4.513 ( -4.752 -3.595 -3.411) 6.866 4.513 ( -4.752 3.595 -3.411) 6.866 4.855 ( 1.162 -1.946 -5.810) 6.236 4.855 ( 1.162 1.946 -5.810) 6.236 5.056 ( 2.280 -1.923 1.290) 3.249 5.056 ( 2.280 1.923 1.290) 3.249 5.182 ( -1.239 -7.304 3.656) 8.261 5.182 ( -1.239 7.304 3.656) 8.261 5.464 ( 9.063 -7.514 -8.188) 14.340 5.464 ( 9.063 7.514 -8.188) 14.340 5.835 ( 0.752 -5.109 -0.795) 5.225 5.835 ( 0.752 5.109 -0.795) 5.225 6.062 ( 0.434 -3.101 -1.784) 3.604 6.062 ( 0.434 3.101 -1.784) 3.604 6.205 ( 2.240 -4.402 0.343) 4.951 6.205 ( 2.240 4.402 0.343) 4.951 6.399 ( -6.217 -5.193 -2.021) 8.349 6.399 ( -6.217 5.193 -2.021) 8.349 6.489 ( 1.422 -0.482 -1.216) 1.933 6.489 ( 1.422 0.482 -1.216) 1.933 6.778 ( -6.605 -5.271 4.064) 9.377 6.778 ( -6.605 5.271 4.064) 9.377 6.984 ( 2.805 -2.427 -1.690) 4.076 6.984 ( 2.805 2.427 -1.690) 4.076 7.332 ( -6.286 -3.141 7.136) 10.015 7.332 ( -6.286 3.141 7.136) 10.015 7.985 ( -1.156 -4.114 4.083) 5.911 7.985 ( -1.156 4.114 4.083) 5.911 8.290 ( 1.086 -4.490 -0.189) 4.623 8.290 ( 1.086 4.490 -0.189) 4.623 8.423 ( 0.744 -4.003 -2.029) 4.549 8.423 ( 0.744 4.003 -2.029) 4.549 8.674 ( 0.364 -1.783 -2.079) 2.763 8.674 ( 0.364 1.783 -2.079) 2.763 11.161 ( 0.355 -3.195 0.255) 3.225 11.161 ( 0.355 3.195 0.255) 3.225 11.284 ( -0.581 -2.531 -2.534) 3.628 11.284 ( -0.581 2.531 -2.534) 3.628 11.489 ( 0.214 -1.288 -0.949) 1.614 11.489 ( 0.214 1.288 -0.949) 1.614 11.538 ( -0.451 -1.667 3.332) 3.753 11.538 ( -0.451 1.667 3.332) 3.753 11.740 ( 0.184 -2.791 -1.158) 3.028 11.740 ( 0.184 2.791 -1.158) 3.028 11.922 ( 0.643 -3.010 -2.046) 3.696 11.922 ( 0.643 3.010 -2.046) 3.696 16.499 ( -0.241 -1.923 0.363) 1.972 16.499 ( -0.241 1.923 0.363) 1.972 16.587 ( -0.292 -1.261 -0.640) 1.444 16.587 ( -0.292 1.261 -0.640) 1.444 23.204 ( 2.546 -2.286 0.811) 3.517 23.204 ( 2.546 2.286 0.811) 3.517 23.918 ( 3.502 -4.548 3.456) 6.700 23.918 ( 3.502 4.548 3.456) 6.700 24.591 ( -3.181 -4.706 5.289) 7.761 24.591 ( -3.181 4.706 5.289) 7.761 25.269 ( 5.157 -1.531 8.559) 10.109 25.269 ( 5.157 1.531 8.559) 10.109 25.812 ( 2.095 -2.941 -7.017) 7.891 25.812 ( 2.095 2.941 -7.017) 7.891 26.456 ( -10.769 -7.542 -8.661) 15.744 26.456 ( -10.769 7.542 -8.661) 15.744 ======================= Grid point 187 (100/128) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -1.104 -3.421 2.404) 4.325 2.076 ( -1.104 3.421 2.404) 4.325 2.583 ( 0.581 -8.241 11.005) 13.761 2.583 ( 0.581 8.241 11.005) 13.761 2.670 ( 1.670 -9.087 7.137) 11.675 2.670 ( 1.670 9.087 7.137) 11.675 2.720 ( -2.500 -0.388 3.485) 4.306 2.720 ( -2.500 0.388 3.485) 4.306 3.087 ( 2.881 -7.116 -4.000) 8.657 3.087 ( 2.881 7.116 -4.000) 8.657 3.404 ( -3.584 -1.123 0.143) 3.758 3.404 ( -3.584 1.123 0.143) 3.758 3.701 ( 3.976 -3.387 1.649) 5.477 3.701 ( 3.976 3.387 1.649) 5.477 3.843 ( 3.496 -7.035 -0.103) 7.856 3.843 ( 3.496 7.035 -0.103) 7.856 3.953 ( 0.748 -2.967 -1.525) 3.418 3.953 ( 0.748 2.967 -1.525) 3.418 4.200 ( -5.417 -4.465 0.941) 7.083 4.200 ( -5.417 4.465 0.941) 7.083 4.385 ( -2.081 -6.744 -5.640) 9.035 4.385 ( -2.081 6.744 -5.640) 9.035 4.416 ( 2.264 -1.867 -2.473) 3.838 4.416 ( 2.264 1.867 -2.473) 3.838 4.792 ( -4.035 -2.155 -2.245) 5.096 4.792 ( -4.035 2.155 -2.245) 5.096 5.086 ( -1.867 -1.932 0.761) 2.792 5.086 ( -1.867 1.932 0.761) 2.792 5.144 ( -1.759 -3.734 1.276) 4.320 5.144 ( -1.759 3.734 1.276) 4.320 5.525 ( 2.661 -3.127 -5.704) 7.028 5.525 ( 2.661 3.127 -5.704) 7.028 5.862 ( 2.651 -6.044 -0.484) 6.618 5.862 ( 2.651 6.044 -0.484) 6.618 6.031 ( -1.269 -2.636 -3.885) 4.863 6.031 ( -1.269 2.636 -3.885) 4.863 6.206 ( -4.717 -5.278 2.462) 7.495 6.206 ( -4.717 5.278 2.462) 7.495 6.346 ( 5.658 -5.470 -3.097) 8.457 6.346 ( 5.658 5.470 -3.097) 8.457 6.523 ( 2.039 -1.643 -1.424) 2.981 6.523 ( 2.039 1.643 -1.424) 2.981 6.694 ( -5.081 -2.281 3.259) 6.453 6.694 ( -5.081 2.281 3.259) 6.453 7.094 ( 8.553 -2.386 0.282) 8.884 7.094 ( 8.553 2.386 0.282) 8.884 7.302 ( -3.019 -1.012 5.752) 6.575 7.302 ( -3.019 1.012 5.752) 6.575 8.038 ( 0.823 -3.904 6.712) 7.809 8.038 ( 0.823 3.904 6.712) 7.809 8.272 ( -2.549 -1.697 -0.703) 3.141 8.272 ( -2.549 1.697 -0.703) 3.141 8.406 ( 0.859 -5.888 -4.160) 7.260 8.406 ( 0.859 5.888 -4.160) 7.260 8.646 ( -0.532 -2.512 -2.150) 3.349 8.646 ( -0.532 2.512 -2.150) 3.349 11.165 ( 0.048 -3.903 0.420) 3.926 11.165 ( 0.048 3.903 0.420) 3.926 11.248 ( -0.203 -3.628 -2.862) 4.626 11.248 ( -0.203 3.628 -2.862) 4.626 11.482 ( -1.148 -0.346 0.785) 1.433 11.482 ( -1.148 0.346 0.785) 1.433 11.565 ( 0.234 -2.747 2.367) 3.634 11.565 ( 0.234 2.747 2.367) 3.634 11.736 ( 0.394 -2.594 -1.056) 2.829 11.736 ( 0.394 2.594 -1.056) 2.829 11.912 ( 0.671 -2.680 -2.311) 3.601 11.912 ( 0.671 2.680 -2.311) 3.601 16.502 ( 0.062 -1.552 0.406) 1.606 16.502 ( 0.062 1.552 0.406) 1.606 16.578 ( 0.007 -1.105 -0.647) 1.280 16.578 ( 0.007 1.105 -0.647) 1.280 23.242 ( 0.586 -1.161 0.857) 1.557 23.242 ( 0.586 1.161 0.857) 1.557 23.973 ( -0.438 -3.146 2.734) 4.191 23.973 ( -0.438 3.146 2.734) 4.191 24.606 ( -1.730 -2.773 5.933) 6.774 24.606 ( -1.730 2.773 5.933) 6.774 25.483 ( 5.162 -1.594 14.512) 15.485 25.483 ( 5.162 1.594 14.512) 15.485 25.760 ( 0.914 -1.276 -9.234) 9.367 25.760 ( 0.914 1.276 -9.234) 9.367 26.203 ( -4.457 -6.672 -12.572) 14.914 26.203 ( -4.457 6.672 -12.572) 14.914 ======================= Grid point 189 (101/128) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -7.108 -7.399 2.611) 10.587 2.020 ( -7.108 7.399 2.611) 10.587 2.599 ( -8.824 -0.558 5.361) 10.340 2.599 ( -8.824 0.558 5.361) 10.340 2.692 ( -0.488 -4.216 5.042) 6.591 2.692 ( -0.488 4.216 5.042) 6.591 2.818 ( 5.781 -3.956 0.667) 7.037 2.818 ( 5.781 3.956 0.667) 7.037 3.124 ( 1.283 -10.122 -1.715) 10.346 3.124 ( 1.283 10.122 -1.715) 10.346 3.346 ( -0.825 -0.685 0.208) 1.093 3.346 ( -0.825 0.685 0.208) 1.093 3.733 ( 0.152 -6.129 -1.884) 6.414 3.733 ( 0.152 6.129 -1.884) 6.414 3.867 ( -0.982 -2.747 1.397) 3.235 3.867 ( -0.982 2.747 1.397) 3.235 3.959 ( 0.459 -2.280 -2.880) 3.702 3.959 ( 0.459 2.280 -2.880) 3.702 4.183 ( 0.773 -3.472 3.244) 4.814 4.183 ( 0.773 3.472 3.244) 4.814 4.293 ( -3.476 -7.093 -1.953) 8.137 4.293 ( -3.476 7.093 -1.953) 8.137 4.422 ( 2.357 -4.996 -4.068) 6.861 4.422 ( 2.357 4.996 -4.068) 6.861 4.699 ( -5.047 -2.665 2.697) 6.313 4.699 ( -5.047 2.665 2.697) 6.313 5.025 ( -5.310 -1.069 1.929) 5.749 5.025 ( -5.310 1.069 1.929) 5.749 5.143 ( -1.351 -1.687 2.630) 3.405 5.143 ( -1.351 1.687 2.630) 3.405 5.467 ( -1.561 -2.356 -5.639) 6.308 5.467 ( -1.561 2.356 -5.639) 6.308 5.894 ( 2.091 -3.278 -2.910) 4.857 5.894 ( 2.091 3.278 -2.910) 4.857 5.980 ( -0.516 -1.761 -0.859) 2.026 5.980 ( -0.516 1.761 -0.859) 2.026 6.165 ( -1.715 -5.311 1.432) 5.762 6.165 ( -1.715 5.311 1.432) 5.762 6.412 ( -0.157 -1.886 -0.168) 1.900 6.412 ( -0.157 1.886 -0.168) 1.900 6.524 ( 3.955 -0.931 -4.335) 5.942 6.524 ( 3.955 0.931 -4.335) 5.942 6.702 ( 1.314 -2.038 4.181) 4.833 6.702 ( 1.314 2.038 4.181) 4.833 7.153 ( -0.711 -2.453 -2.348) 3.469 7.153 ( -0.711 2.453 -2.348) 3.469 7.433 ( 11.390 -6.333 2.435) 13.257 7.433 ( 11.390 6.333 2.435) 13.257 8.126 ( 0.868 -2.380 6.649) 7.115 8.126 ( 0.868 2.380 6.649) 7.115 8.187 ( -4.975 -2.774 -1.664) 5.934 8.187 ( -4.975 2.774 -1.664) 5.934 8.397 ( 2.746 -3.541 -3.052) 5.422 8.397 ( 2.746 3.541 -3.052) 5.422 8.625 ( -0.283 -2.167 -0.715) 2.299 8.625 ( -0.283 2.167 -0.715) 2.299 11.177 ( 0.383 -4.355 1.132) 4.516 11.177 ( 0.383 4.355 1.132) 4.516 11.227 ( 0.738 -4.226 -2.387) 4.909 11.227 ( 0.738 4.226 -2.387) 4.909 11.457 ( -2.565 -1.469 1.042) 3.134 11.457 ( -2.565 1.469 1.042) 3.134 11.585 ( -0.321 -2.771 1.833) 3.338 11.585 ( -0.321 2.771 1.833) 3.338 11.726 ( -0.264 -1.037 -1.469) 1.817 11.726 ( -0.264 1.037 -1.469) 1.817 11.906 ( 0.953 -1.279 -1.732) 2.354 11.906 ( 0.953 1.279 -1.732) 2.354 16.509 ( 0.352 -0.650 0.265) 0.785 16.509 ( 0.352 0.650 0.265) 0.785 16.575 ( 0.248 -0.522 -0.468) 0.744 16.575 ( 0.248 0.522 -0.468) 0.744 23.235 ( -1.890 -1.186 -0.049) 2.232 23.235 ( -1.890 1.186 -0.049) 2.232 23.959 ( -3.835 -0.764 2.164) 4.469 23.959 ( -3.835 0.764 2.164) 4.469 24.630 ( -1.545 -0.532 4.889) 5.155 24.630 ( -1.545 0.532 4.889) 5.155 25.575 ( -8.642 -1.310 1.742) 8.913 25.575 ( -8.642 1.310 1.742) 8.913 25.754 ( 6.573 -5.844 -1.054) 8.858 25.754 ( 6.573 5.844 -1.054) 8.858 26.138 ( 9.956 -2.201 -6.403) 12.040 26.138 ( 9.956 2.201 -6.403) 12.040 ======================= Grid point 191 (102/128) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -9.005 -7.883 3.379) 12.436 1.899 ( -9.005 7.883 3.379) 12.436 2.455 ( -11.187 -4.777 1.989) 12.326 2.455 ( -11.187 4.777 1.989) 12.326 2.687 ( -0.939 -2.722 -2.571) 3.860 2.687 ( -0.939 2.722 -2.571) 3.860 2.881 ( 0.042 -3.753 -0.584) 3.798 2.881 ( 0.042 3.753 -0.584) 3.798 3.063 ( -4.925 -6.967 1.221) 8.619 3.063 ( -4.925 6.967 1.221) 8.619 3.394 ( 3.776 -0.544 -1.036) 3.953 3.394 ( 3.776 0.544 -1.036) 3.953 3.653 ( -5.283 -11.914 -6.153) 14.412 3.653 ( -5.283 11.914 -6.153) 14.412 3.829 ( -0.981 -2.106 -2.212) 3.208 3.829 ( -0.981 2.106 -2.212) 3.208 3.939 ( -5.725 -8.747 2.694) 10.795 3.939 ( -5.725 8.747 2.694) 10.795 4.173 ( -0.165 -6.751 1.335) 6.884 4.173 ( -0.165 6.751 1.335) 6.884 4.278 ( 0.928 -1.832 2.495) 3.231 4.278 ( 0.928 1.832 2.495) 3.231 4.501 ( 5.794 -7.052 3.075) 9.631 4.501 ( 5.794 7.052 3.075) 9.631 4.676 ( -0.377 -0.358 1.575) 1.658 4.676 ( -0.377 0.358 1.575) 1.658 4.953 ( -5.119 -3.827 5.696) 8.561 4.953 ( -5.119 3.827 5.696) 8.561 5.160 ( 0.673 -3.374 1.942) 3.951 5.160 ( 0.673 3.374 1.942) 3.951 5.382 ( -1.221 -5.073 -6.900) 8.651 5.382 ( -1.221 5.073 -6.900) 8.651 5.873 ( 0.588 -2.573 -4.698) 5.389 5.873 ( 0.588 2.573 -4.698) 5.389 6.007 ( 2.099 -1.894 1.966) 3.443 6.007 ( 2.099 1.894 1.966) 3.443 6.172 ( 0.909 -4.667 1.634) 5.028 6.172 ( 0.909 4.667 1.634) 5.028 6.356 ( -4.456 -1.722 1.454) 4.994 6.356 ( -4.456 1.722 1.454) 4.994 6.590 ( 5.370 -0.883 -2.619) 6.039 6.590 ( 5.370 0.883 -2.619) 6.039 6.772 ( 1.424 -3.265 3.495) 4.990 6.772 ( 1.424 3.265 3.495) 4.990 7.107 ( -0.527 -2.172 -3.252) 3.946 7.107 ( -0.527 2.172 -3.252) 3.946 7.628 ( 8.865 -7.144 -2.825) 11.731 7.628 ( 8.865 7.144 -2.825) 11.731 8.076 ( -4.607 -4.423 -0.769) 6.433 8.076 ( -4.607 4.423 -0.769) 6.433 8.186 ( -0.049 -3.307 2.349) 4.057 8.186 ( -0.049 3.307 2.349) 4.057 8.451 ( 4.815 -2.360 -1.499) 5.568 8.451 ( 4.815 2.360 -1.499) 5.568 8.628 ( 1.136 -0.989 0.629) 1.632 8.628 ( 1.136 0.989 0.629) 1.632 11.188 ( -0.515 -4.754 -0.185) 4.785 11.188 ( -0.515 4.754 -0.185) 4.785 11.232 ( 1.400 -3.578 -0.062) 3.843 11.232 ( 1.400 3.578 -0.062) 3.843 11.420 ( -2.146 -2.531 1.195) 3.527 11.420 ( -2.146 2.531 1.195) 3.527 11.589 ( -1.227 -3.002 1.936) 3.777 11.589 ( -1.227 3.002 1.936) 3.777 11.699 ( -1.096 -0.976 -1.208) 1.901 11.699 ( -1.096 0.976 -1.208) 1.901 11.916 ( 1.652 -0.667 -1.025) 2.055 11.916 ( 1.652 0.667 -1.025) 2.055 16.518 ( 0.590 -0.669 -0.081) 0.895 16.518 ( 0.590 0.669 -0.081) 0.895 16.579 ( 0.445 -0.452 -0.014) 0.634 16.579 ( 0.445 0.452 -0.014) 0.634 23.175 ( -4.043 -2.047 -1.046) 4.651 23.175 ( -4.043 2.047 -1.046) 4.651 23.866 ( -8.530 -2.509 1.083) 8.957 23.866 ( -8.530 2.509 1.083) 8.957 24.651 ( -0.496 -3.918 3.693) 5.407 24.651 ( -0.496 3.918 3.693) 5.407 25.391 ( -7.360 -1.318 -5.532) 9.301 25.391 ( -7.360 1.318 -5.532) 9.301 25.820 ( 3.978 -10.110 -3.971) 11.568 25.820 ( 3.978 10.110 -3.971) 11.568 26.406 ( 16.901 -1.195 5.743) 17.889 26.406 ( 16.901 1.195 5.743) 17.889 ======================= Grid point 193 (103/128) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -8.759 -6.293 3.982) 11.497 1.772 ( -8.759 6.293 3.982) 11.497 2.250 ( -13.185 -10.569 2.740) 17.118 2.250 ( -13.185 10.569 2.740) 17.118 2.607 ( -2.633 -2.989 -7.300) 8.316 2.607 ( -2.633 2.989 -7.300) 8.316 2.838 ( -3.784 -5.942 2.452) 7.459 2.838 ( -3.784 5.942 2.452) 7.459 3.019 ( -2.296 -6.010 1.337) 6.571 3.019 ( -2.296 6.010 1.337) 6.571 3.352 ( -3.743 -8.946 -10.540) 14.323 3.352 ( -3.743 8.946 -10.540) 14.323 3.505 ( -2.959 -9.041 -4.036) 10.334 3.505 ( -2.959 9.041 -4.036) 10.334 3.770 ( -7.828 -10.093 5.770) 14.016 3.770 ( -7.828 10.093 5.770) 14.016 3.872 ( -0.212 -6.896 0.042) 6.900 3.872 ( -0.212 6.896 0.042) 6.900 4.194 ( -2.686 -3.037 0.106) 4.055 4.194 ( -2.686 3.037 0.106) 4.055 4.348 ( 5.438 -3.792 0.739) 6.670 4.348 ( 5.438 3.792 0.739) 6.670 4.636 ( 3.818 -5.558 4.922) 8.348 4.636 ( 3.818 5.558 4.922) 8.348 4.703 ( 2.518 -1.778 2.361) 3.883 4.703 ( 2.518 1.778 2.361) 3.883 4.970 ( 0.971 -5.138 0.564) 5.259 4.970 ( 0.971 5.138 0.564) 5.259 5.173 ( 0.300 -3.643 -0.662) 3.714 5.173 ( 0.300 3.643 -0.662) 3.714 5.347 ( 2.613 -4.198 1.664) 5.218 5.347 ( 2.613 4.198 1.664) 5.218 5.852 ( 0.492 -2.832 -1.900) 3.446 5.852 ( 0.492 2.832 -1.900) 3.446 6.067 ( 1.873 -0.425 2.106) 2.850 6.067 ( 1.873 0.425 2.106) 2.850 6.213 ( 0.696 -3.000 2.100) 3.727 6.213 ( 0.696 3.000 2.100) 3.727 6.322 ( -0.446 -3.117 2.147) 3.811 6.322 ( -0.446 3.117 2.147) 3.811 6.629 ( 0.461 -3.596 -0.608) 3.676 6.629 ( 0.461 3.596 -0.608) 3.676 6.829 ( 2.110 -4.996 2.889) 6.145 6.829 ( 2.110 4.996 2.889) 6.145 7.073 ( 0.077 -1.887 -3.599) 4.064 7.073 ( 0.077 1.887 -3.599) 4.064 7.684 ( 2.073 -9.819 -4.741) 11.099 7.684 ( 2.073 9.819 -4.741) 11.099 8.009 ( -3.882 -4.141 2.242) 6.103 8.009 ( -3.882 4.141 2.242) 6.103 8.190 ( 0.621 -2.229 -1.527) 2.772 8.190 ( 0.621 2.229 -1.527) 2.772 8.492 ( 2.378 -1.405 -4.130) 4.968 8.492 ( 2.378 1.405 -4.130) 4.968 8.681 ( 4.242 -3.032 -1.584) 5.449 8.681 ( 4.242 3.032 -1.584) 5.449 11.140 ( -3.111 -3.149 -2.162) 4.926 11.140 ( -3.111 3.149 -2.162) 4.926 11.268 ( 1.012 -0.674 2.309) 2.610 11.268 ( 1.012 0.674 2.309) 2.610 11.416 ( -0.441 -1.844 1.922) 2.699 11.416 ( -0.441 1.844 1.922) 2.699 11.588 ( -0.476 -2.066 1.939) 2.873 11.588 ( -0.476 2.066 1.939) 2.873 11.672 ( -1.405 -1.714 0.344) 2.243 11.672 ( -1.405 1.714 0.344) 2.243 11.947 ( 2.627 -0.901 -0.198) 2.784 11.947 ( 2.627 0.901 -0.198) 2.784 16.528 ( 0.713 -1.249 -0.341) 1.478 16.528 ( 0.713 1.249 -0.341) 1.478 16.590 ( 0.528 -0.892 0.436) 1.125 16.590 ( 0.528 0.892 0.436) 1.125 23.084 ( -4.384 -3.357 -0.781) 5.577 23.084 ( -4.384 3.357 -0.781) 5.577 23.682 ( -11.635 -4.525 -0.515) 12.494 23.682 ( -11.635 4.525 -0.515) 12.494 24.689 ( 0.523 -5.775 3.904) 6.990 24.689 ( 0.523 5.775 3.904) 6.990 25.236 ( -3.605 -2.126 -5.583) 6.978 25.236 ( -3.605 2.126 -5.583) 6.978 25.840 ( 3.481 -12.450 -5.455) 14.031 25.840 ( 3.481 12.450 -5.455) 14.031 26.772 ( 15.278 -3.313 7.292) 17.250 26.772 ( 15.278 3.313 7.292) 17.250 ======================= Grid point 195 (104/128) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -4.340 -11.799 6.606) 14.202 1.694 ( -4.340 11.799 6.606) 14.202 2.074 ( -10.949 -18.244 7.497) 22.560 2.074 ( -10.949 18.244 7.497) 22.560 2.475 ( -2.652 -1.889 -8.476) 9.080 2.475 ( -2.652 1.889 -8.476) 9.080 2.802 ( -2.802 -4.761 -0.255) 5.531 2.802 ( -2.802 4.761 -0.255) 5.531 2.953 ( -3.515 -7.522 -5.168) 9.780 2.953 ( -3.515 7.522 -5.168) 9.780 3.193 ( -2.923 -10.345 -3.809) 11.405 3.193 ( -2.923 10.345 -3.809) 11.405 3.429 ( -0.958 -9.332 -4.882) 10.576 3.429 ( -0.958 9.332 -4.882) 10.576 3.701 ( -6.994 -12.641 6.875) 15.999 3.701 ( -6.994 12.641 6.875) 15.999 3.907 ( 3.542 -4.274 -0.383) 5.564 3.907 ( 3.542 4.274 -0.383) 5.564 4.085 ( -4.463 -1.327 -4.414) 6.416 4.085 ( -4.463 1.327 -4.414) 6.416 4.442 ( 2.182 -3.640 2.647) 5.002 4.442 ( 2.182 3.640 2.647) 5.002 4.702 ( 1.859 -8.641 1.129) 8.911 4.702 ( 1.859 8.641 1.129) 8.911 4.821 ( 4.381 -2.939 0.796) 5.335 4.821 ( 4.381 2.939 0.796) 5.335 4.964 ( 1.442 -5.012 -0.087) 5.216 4.964 ( 1.442 5.012 -0.087) 5.216 5.215 ( 3.896 -1.474 0.164) 4.169 5.215 ( 3.896 1.474 0.164) 4.169 5.464 ( 3.774 -2.687 5.882) 7.487 5.464 ( 3.774 2.687 5.882) 7.487 5.835 ( -1.739 -2.966 0.528) 3.478 5.835 ( -1.739 2.966 0.528) 3.478 6.091 ( -1.315 -1.282 1.346) 2.277 6.091 ( -1.315 1.282 1.346) 2.277 6.247 ( 0.591 -2.868 2.414) 3.795 6.247 ( 0.591 2.868 2.414) 3.795 6.357 ( 0.348 -4.003 2.703) 4.843 6.357 ( 0.348 4.003 2.703) 4.843 6.648 ( 3.695 -5.299 0.634) 6.491 6.648 ( 3.695 5.299 0.634) 6.491 6.890 ( -0.058 -4.395 4.003) 5.945 6.890 ( -0.058 4.395 4.003) 5.945 7.046 ( 1.431 -0.880 -2.810) 3.274 7.046 ( 1.431 0.880 -2.810) 3.274 7.620 ( -4.372 -15.318 -4.664) 16.599 7.620 ( -4.372 15.318 -4.664) 16.599 7.982 ( -0.257 -0.655 0.884) 1.130 7.982 ( -0.257 0.655 0.884) 1.130 8.184 ( -0.334 -1.582 -0.636) 1.738 8.184 ( -0.334 1.582 -0.636) 1.738 8.470 ( 1.140 -1.910 -6.115) 6.507 8.470 ( 1.140 1.910 -6.115) 6.507 8.711 ( 3.086 -4.346 -6.457) 8.373 8.711 ( 3.086 4.346 -6.457) 8.373 11.065 ( -2.794 -2.388 -0.838) 3.770 11.065 ( -2.794 2.388 -0.838) 3.770 11.308 ( 0.662 -1.149 2.651) 2.964 11.308 ( 0.662 1.149 2.651) 2.964 11.417 ( -1.192 -2.005 1.057) 2.560 11.417 ( -1.192 2.005 1.057) 2.560 11.615 ( 2.005 -0.549 0.084) 2.081 11.615 ( 2.005 0.549 0.084) 2.081 11.650 ( -2.656 -3.186 2.477) 4.831 11.650 ( -2.656 3.186 2.477) 4.831 12.007 ( 3.079 -0.523 1.436) 3.437 12.007 ( 3.079 0.523 1.436) 3.437 16.537 ( 0.594 -1.097 -0.295) 1.282 16.537 ( 0.594 1.097 -0.295) 1.282 16.603 ( 0.331 -0.762 0.524) 0.983 16.603 ( 0.331 0.762 0.524) 0.983 23.033 ( -0.832 -4.680 1.525) 4.993 23.033 ( -0.832 4.680 1.525) 4.993 23.465 ( -10.263 -5.695 -2.210) 11.944 23.465 ( -10.263 5.695 -2.210) 11.944 24.738 ( -0.163 -6.159 4.881) 7.860 24.738 ( -0.163 6.159 4.881) 7.860 25.150 ( -0.507 -3.393 -4.898) 5.980 25.150 ( -0.507 3.393 -4.898) 5.980 25.838 ( 2.381 -12.635 -5.861) 14.130 25.838 ( 2.381 12.635 -5.861) 14.130 27.055 ( 8.667 -4.591 5.101) 11.055 27.055 ( 8.667 4.591 5.101) 11.055 ======================= Grid point 217 (105/128) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 3.949 0.000 -13.002) 13.588 1.662 ( -3.949 0.000 13.002) 13.588 1.810 ( 4.530 0.000 -11.992) 12.819 1.810 ( -4.530 0.000 11.992) 12.819 2.603 ( -9.619 0.000 -9.236) 13.336 2.603 ( 9.619 0.000 9.236) 13.336 2.859 ( 6.706 0.000 -25.500) 26.367 2.859 ( -6.706 0.000 25.500) 26.367 2.920 ( -8.349 0.000 -2.110) 8.611 2.920 ( 8.349 0.000 2.110) 8.611 2.995 ( 2.741 0.000 -5.543) 6.184 2.995 ( -2.741 0.000 5.543) 6.184 3.303 ( 0.796 0.000 -6.118) 6.170 3.303 ( -0.796 0.000 6.118) 6.170 3.441 ( 5.004 0.000 -3.015) 5.842 3.441 ( -5.004 0.000 3.015) 5.842 3.788 ( -5.684 0.000 0.227) 5.688 3.788 ( 5.684 0.000 -0.227) 5.688 4.272 ( 0.512 0.000 -4.299) 4.329 4.272 ( -0.512 0.000 4.299) 4.329 4.522 ( -0.238 0.000 -5.067) 5.072 4.522 ( 0.238 0.000 5.067) 5.072 4.626 ( -5.548 0.000 -2.731) 6.183 4.626 ( 5.548 0.000 2.731) 6.183 4.920 ( -5.766 0.000 0.541) 5.791 4.920 ( 5.766 0.000 -0.541) 5.791 5.187 ( -8.026 0.000 1.705) 8.205 5.187 ( 8.026 0.000 -1.705) 8.205 5.381 ( 3.858 0.000 -3.667) 5.322 5.381 ( -3.858 0.000 3.667) 5.322 5.756 ( -3.790 0.000 -2.017) 4.294 5.756 ( 3.790 0.000 2.017) 4.294 5.838 ( 0.723 0.000 -1.363) 1.543 5.838 ( -0.723 0.000 1.363) 1.543 5.916 ( -0.223 0.000 -4.728) 4.733 5.916 ( 0.223 0.000 4.728) 4.733 6.215 ( 1.568 0.000 -2.181) 2.687 6.215 ( -1.568 0.000 2.181) 2.687 6.356 ( 1.935 0.000 -6.548) 6.828 6.356 ( -1.935 0.000 6.548) 6.828 6.509 ( -3.073 0.000 -4.084) 5.111 6.509 ( 3.073 0.000 4.084) 5.111 6.783 ( -3.892 0.000 -0.507) 3.925 6.783 ( 3.892 0.000 0.507) 3.925 7.075 ( -9.935 0.000 2.833) 10.331 7.075 ( 9.935 0.000 -2.833) 10.331 7.663 ( -23.890 0.000 -9.762) 25.807 7.663 ( 23.890 0.000 9.762) 25.807 7.892 ( 2.157 0.000 -3.709) 4.291 7.892 ( -2.157 0.000 3.709) 4.291 8.263 ( -1.293 0.000 -2.172) 2.528 8.263 ( 1.293 0.000 2.172) 2.528 8.603 ( 1.668 0.000 -6.900) 7.099 8.603 ( -1.668 0.000 6.900) 7.099 8.686 ( -6.119 0.000 -0.294) 6.126 8.686 ( 6.119 0.000 0.294) 6.126 10.905 ( -2.181 0.000 -1.039) 2.416 10.905 ( 2.181 0.000 1.039) 2.416 11.282 ( 0.786 0.000 -3.475) 3.563 11.282 ( -0.786 0.000 3.475) 3.563 11.495 ( -1.501 0.000 0.332) 1.537 11.495 ( 1.501 0.000 -0.332) 1.537 11.610 ( -0.629 0.000 0.176) 0.654 11.610 ( 0.629 0.000 -0.176) 0.654 11.736 ( 2.185 0.000 -1.557) 2.683 11.736 ( -2.185 0.000 1.557) 2.683 11.926 ( -2.161 0.000 0.114) 2.164 11.926 ( 2.161 0.000 -0.114) 2.164 16.522 ( -1.063 0.000 -0.134) 1.071 16.522 ( 1.063 0.000 0.134) 1.071 16.613 ( -0.144 0.000 0.025) 0.146 16.613 ( 0.144 0.000 -0.025) 0.146 22.974 ( -7.276 0.000 -2.275) 7.624 22.974 ( 7.276 0.000 2.275) 7.624 23.400 ( -5.080 0.000 -4.918) 7.071 23.400 ( 5.080 0.000 4.918) 7.071 24.547 ( 1.206 0.000 -0.811) 1.453 24.547 ( -1.206 0.000 0.811) 1.453 25.176 ( 5.531 0.000 -8.096) 9.805 25.176 ( -5.531 0.000 8.096) 9.805 25.783 ( -0.209 0.000 -18.064) 18.065 25.783 ( 0.209 0.000 18.064) 18.065 27.362 ( -6.801 0.000 -7.515) 10.136 27.362 ( 6.801 0.000 7.515) 10.136 ======================= Grid point 219 (106/128) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 7.175 0.000 -24.982) 25.992 1.626 ( 9.091 0.000 -19.919) 21.895 1.987 ( 5.458 0.000 19.179) 19.940 1.990 ( 2.146 0.000 20.538) 20.650 2.334 ( -6.312 0.000 -7.111) 9.508 2.745 ( 17.877 0.000 -31.120) 35.889 2.746 ( 3.383 0.000 -2.498) 4.205 2.839 ( 0.827 0.000 -8.323) 8.364 2.932 ( 4.311 0.000 -1.336) 4.514 3.000 ( -3.821 0.000 5.955) 7.075 3.122 ( 3.332 0.000 12.470) 12.907 3.219 ( 9.526 0.000 9.297) 13.311 3.297 ( 6.076 0.000 -7.168) 9.397 3.394 ( 3.760 0.000 8.326) 9.136 3.434 ( -1.895 0.000 7.849) 8.074 3.604 ( 12.779 0.000 7.334) 14.734 3.703 ( -3.168 0.000 -1.218) 3.394 3.913 ( 6.695 0.000 2.715) 7.224 4.219 ( -2.686 0.000 -0.309) 2.704 4.251 ( -6.167 0.000 3.573) 7.128 4.444 ( -8.453 0.000 -0.096) 8.453 4.509 ( -1.727 0.000 -2.903) 3.378 4.589 ( -0.654 0.000 9.669) 9.691 4.710 ( 2.296 0.000 -0.854) 2.450 4.809 ( -7.451 0.000 1.008) 7.519 4.963 ( -11.322 0.000 0.619) 11.339 5.034 ( 1.163 0.000 0.816) 1.421 5.253 ( 2.754 0.000 -2.928) 4.020 5.380 ( -1.243 0.000 4.570) 4.736 5.423 ( 3.150 0.000 -3.181) 4.477 5.648 ( -5.463 0.000 -2.766) 6.123 5.726 ( -7.282 0.000 -3.034) 7.889 5.795 ( -2.400 0.000 -0.166) 2.406 5.823 ( 1.186 0.000 2.112) 2.422 5.942 ( 4.332 0.000 -1.998) 4.770 5.966 ( 0.054 0.000 3.059) 3.060 6.153 ( -4.425 0.000 -3.718) 5.780 6.191 ( -2.185 0.000 0.601) 2.267 6.353 ( 4.391 0.000 -8.092) 9.206 6.371 ( -0.699 0.000 1.245) 1.427 6.467 ( 3.099 0.000 -5.092) 5.961 6.640 ( 5.062 0.000 4.197) 6.576 6.745 ( -1.068 0.000 1.659) 1.973 6.886 ( 4.504 0.000 1.566) 4.769 6.894 ( -9.150 0.000 -0.099) 9.150 7.140 ( -14.532 0.000 -1.889) 14.654 7.209 ( 0.629 0.000 -10.402) 10.421 7.811 ( -9.027 0.000 5.702) 10.677 7.888 ( 0.598 0.000 -2.527) 2.597 8.112 ( 8.576 0.000 -1.526) 8.711 8.199 ( -3.515 0.000 -1.246) 3.730 8.362 ( 9.498 0.000 9.895) 13.715 8.556 ( 0.131 0.000 -5.903) 5.905 8.632 ( 1.333 0.000 1.806) 2.245 8.649 ( -0.929 0.000 8.673) 8.723 8.798 ( 4.842 0.000 -0.338) 4.854 10.875 ( 0.297 0.000 -1.356) 1.388 10.964 ( 3.552 0.000 -0.093) 3.553 11.261 ( 0.529 0.000 -3.642) 3.681 11.302 ( -0.729 0.000 3.498) 3.573 11.445 ( -3.421 0.000 -0.864) 3.529 11.495 ( -0.268 0.000 -1.045) 1.079 11.593 ( -1.225 0.000 -0.342) 1.272 11.614 ( -0.353 0.000 0.361) 0.505 11.721 ( -1.336 0.000 2.056) 2.452 11.764 ( 1.739 0.000 -0.036) 1.740 11.900 ( -0.069 0.000 -0.246) 0.256 11.931 ( -2.344 0.000 -0.726) 2.454 16.499 ( -1.438 0.000 0.131) 1.444 16.538 ( 0.548 0.000 0.205) 0.585 16.608 ( -0.165 0.000 -0.205) 0.263 16.611 ( -0.104 0.000 -0.395) 0.408 22.916 ( 4.912 0.000 -1.878) 5.258 23.162 ( 11.580 0.000 -0.426) 11.587 23.315 ( 0.534 0.000 -3.729) 3.767 23.577 ( 9.236 0.000 3.903) 10.026 24.553 ( 0.855 0.000 0.806) 1.175 24.585 ( 3.643 0.000 -0.086) 3.644 25.154 ( -5.180 0.000 7.830) 9.388 25.178 ( 3.386 0.000 -9.452) 10.040 25.598 ( -1.053 0.000 -15.652) 15.687 25.928 ( -3.660 0.000 17.280) 17.663 27.108 ( -13.972 0.000 -4.943) 14.821 27.457 ( -4.950 0.000 6.286) 8.001 ======================= Grid point 220 (107/128) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 10.641 0.000 -19.782) 22.463 1.663 ( 16.733 0.000 -20.117) 26.167 2.122 ( -3.435 0.000 9.176) 9.798 2.280 ( 4.647 0.000 19.841) 20.378 2.392 ( 9.875 0.000 8.119) 12.784 2.683 ( 0.248 0.000 -9.802) 9.806 2.859 ( 4.712 0.000 -3.710) 5.998 2.876 ( 9.035 0.000 -13.474) 16.223 2.965 ( 19.428 0.000 -13.383) 23.591 3.016 ( 1.015 0.000 -1.123) 1.514 3.168 ( -6.268 0.000 3.701) 7.279 3.404 ( 6.636 0.000 2.248) 7.006 3.421 ( 14.004 0.000 -3.866) 14.528 3.511 ( -0.042 0.000 10.409) 10.409 3.614 ( 8.037 0.000 10.664) 13.354 3.642 ( 0.181 0.000 -2.394) 2.401 3.974 ( 11.922 0.000 8.458) 14.618 4.061 ( 5.239 0.000 3.363) 6.226 4.148 ( -6.112 0.000 0.722) 6.155 4.203 ( 1.238 0.000 2.563) 2.846 4.272 ( -7.761 0.000 -1.802) 7.967 4.437 ( -7.870 0.000 2.810) 8.357 4.639 ( -4.732 0.000 -0.125) 4.734 4.700 ( -5.638 0.000 3.279) 6.522 4.717 ( -11.692 0.000 5.282) 12.830 4.730 ( 0.404 0.000 6.102) 6.115 5.118 ( 4.773 0.000 0.113) 4.775 5.209 ( -2.625 0.000 -7.482) 7.929 5.410 ( -0.596 0.000 4.907) 4.943 5.429 ( 1.103 0.000 -2.789) 2.999 5.543 ( -1.859 0.000 -3.573) 4.027 5.589 ( -5.185 0.000 -1.222) 5.327 5.766 ( -2.415 0.000 2.667) 3.597 5.833 ( -2.040 0.000 1.703) 2.658 5.975 ( 1.310 0.000 -8.344) 8.446 6.012 ( 3.016 0.000 2.392) 3.849 6.051 ( -2.388 0.000 1.230) 2.686 6.139 ( -3.199 0.000 -1.228) 3.426 6.305 ( -0.879 0.000 -4.400) 4.487 6.340 ( -2.480 0.000 -3.032) 3.918 6.519 ( 7.732 0.000 -9.091) 11.934 6.708 ( -4.180 0.000 -2.473) 4.857 6.710 ( -5.385 0.000 -2.566) 5.965 6.746 ( 2.266 0.000 1.806) 2.897 6.858 ( -7.707 0.000 1.183) 7.797 7.013 ( 3.126 0.000 4.595) 5.558 7.227 ( 3.970 0.000 -5.755) 6.992 7.667 ( -11.655 0.000 5.092) 12.719 7.876 ( -0.227 0.000 0.063) 0.236 8.124 ( 0.870 0.000 -3.044) 3.166 8.131 ( -2.860 0.000 -0.209) 2.868 8.500 ( -0.538 0.000 -4.375) 4.408 8.517 ( 2.053 0.000 -0.999) 2.284 8.650 ( -2.763 0.000 6.003) 6.609 8.835 ( -0.387 0.000 0.020) 0.387 8.909 ( 9.472 0.000 12.776) 15.904 10.887 ( 2.186 0.000 -1.155) 2.472 11.018 ( 3.033 0.000 -1.469) 3.370 11.230 ( 0.260 0.000 -3.824) 3.833 11.324 ( -0.783 0.000 3.370) 3.460 11.375 ( -2.320 0.000 -1.481) 2.752 11.480 ( -0.485 0.000 -0.567) 0.746 11.564 ( -1.116 0.000 -1.081) 1.554 11.600 ( -1.809 0.000 0.504) 1.878 11.728 ( -0.393 0.000 1.935) 1.975 11.797 ( 1.409 0.000 0.710) 1.578 11.832 ( -5.589 0.000 -1.402) 5.762 11.912 ( 1.840 0.000 -1.449) 2.342 16.475 ( -1.503 0.000 0.508) 1.587 16.543 ( -0.168 0.000 -0.206) 0.265 16.604 ( -0.136 0.000 -0.464) 0.484 16.605 ( 0.052 0.000 -0.200) 0.206 23.134 ( 14.808 0.000 7.417) 16.562 23.348 ( 5.651 0.000 -0.790) 5.706 23.357 ( 10.724 0.000 -1.512) 10.831 23.789 ( 10.769 0.000 2.046) 10.961 24.585 ( 1.920 0.000 -0.131) 1.925 24.680 ( 6.303 0.000 1.220) 6.420 25.090 ( -2.099 0.000 -10.715) 10.919 25.156 ( -3.107 0.000 8.615) 9.158 25.483 ( 3.118 0.000 -10.911) 11.348 25.979 ( -7.782 0.000 14.522) 16.475 26.782 ( -17.557 0.000 -3.175) 17.841 27.285 ( -15.111 0.000 -3.715) 15.561 ======================= Grid point 221 (108/128) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 18.419 0.000 -8.004) 20.083 1.820 ( 19.697 0.000 -16.261) 25.542 2.165 ( -1.373 0.000 8.769) 8.876 2.498 ( 0.093 0.000 14.301) 14.301 2.638 ( 4.648 0.000 -6.860) 8.286 2.644 ( 7.736 0.000 6.508) 10.109 2.798 ( -3.459 0.000 -2.441) 4.234 2.856 ( -0.024 0.000 -6.695) 6.695 2.997 ( 0.921 0.000 -4.692) 4.782 3.046 ( -11.677 0.000 6.907) 13.567 3.333 ( 21.910 0.000 -7.340) 23.106 3.551 ( 8.383 0.000 0.788) 8.420 3.610 ( 8.533 0.000 1.721) 8.705 3.662 ( 5.620 0.000 -4.360) 7.114 3.693 ( 13.773 0.000 2.480) 13.994 3.785 ( 0.276 0.000 4.858) 4.866 4.015 ( -6.614 0.000 -0.697) 6.650 4.047 ( -3.007 0.000 1.456) 3.341 4.113 ( -4.474 0.000 0.520) 4.504 4.249 ( 6.404 0.000 2.334) 6.816 4.290 ( -1.669 0.000 0.371) 1.710 4.319 ( -5.096 0.000 1.397) 5.284 4.511 ( -2.744 0.000 0.974) 2.912 4.673 ( -2.460 0.000 3.838) 4.559 4.685 ( 3.500 0.000 1.044) 3.653 4.844 ( -0.255 0.000 10.036) 10.039 5.080 ( -1.861 0.000 -5.917) 6.203 5.184 ( 0.567 0.000 3.648) 3.692 5.391 ( -1.174 0.000 -4.981) 5.118 5.454 ( -1.436 0.000 4.841) 5.050 5.503 ( -2.731 0.000 -0.863) 2.864 5.509 ( 2.072 0.000 -4.948) 5.365 5.755 ( -2.782 0.000 4.578) 5.357 5.765 ( -6.406 0.000 -6.266) 8.961 5.849 ( -0.925 0.000 -3.862) 3.972 6.025 ( -3.307 0.000 -5.419) 6.348 6.098 ( 0.623 0.000 6.173) 6.204 6.126 ( 3.258 0.000 -1.580) 3.621 6.253 ( -2.505 0.000 1.358) 2.849 6.282 ( 2.117 0.000 -2.695) 3.427 6.501 ( 2.473 0.000 -7.364) 7.768 6.621 ( -2.981 0.000 -0.325) 2.999 6.712 ( 6.146 0.000 -2.841) 6.771 6.763 ( -4.611 0.000 -1.669) 4.904 6.797 ( -0.201 0.000 3.408) 3.414 7.062 ( -2.333 0.000 3.910) 4.553 7.244 ( 2.341 0.000 -2.135) 3.168 7.520 ( -10.445 0.000 5.951) 12.022 7.895 ( 0.741 0.000 3.435) 3.514 8.108 ( -0.121 0.000 1.713) 1.718 8.118 ( 2.054 0.000 -4.031) 4.524 8.457 ( -0.212 0.000 -2.904) 2.911 8.500 ( -1.624 0.000 -2.240) 2.767 8.647 ( -2.223 0.000 2.252) 3.165 8.802 ( -3.465 0.000 1.337) 3.714 9.039 ( -3.079 0.000 1.316) 3.349 10.920 ( 2.146 0.000 -0.782) 2.284 11.035 ( 0.725 0.000 -2.483) 2.587 11.216 ( 1.735 0.000 -1.440) 2.255 11.311 ( -1.799 0.000 0.578) 1.889 11.377 ( 2.089 0.000 0.747) 2.218 11.461 ( -0.545 0.000 -2.022) 2.094 11.531 ( -1.412 0.000 -1.247) 1.884 11.557 ( -3.057 0.000 0.730) 3.143 11.728 ( -0.907 0.000 2.460) 2.621 11.791 ( 0.060 0.000 2.368) 2.369 11.823 ( 0.907 0.000 0.186) 0.925 11.925 ( 1.754 0.000 -2.902) 3.390 16.458 ( -1.140 0.000 0.964) 1.493 16.526 ( -0.873 0.000 -1.093) 1.399 16.601 ( 0.168 0.000 -0.045) 0.174 16.606 ( 0.228 0.000 -0.097) 0.248 23.421 ( 7.207 0.000 3.638) 8.073 23.509 ( 7.716 0.000 -1.582) 7.877 23.573 ( 13.187 0.000 14.011) 19.241 23.992 ( 10.460 0.000 -0.011) 10.460 24.598 ( -0.005 0.000 -1.638) 1.638 24.795 ( 3.014 0.000 -3.343) 4.501 24.966 ( 0.765 0.000 -2.246) 2.372 25.226 ( 1.214 0.000 9.471) 9.548 25.484 ( 6.755 0.000 -7.778) 10.302 25.941 ( -10.231 0.000 11.975) 15.750 26.426 ( -18.697 0.000 -2.395) 18.850 26.892 ( -16.242 0.000 -15.804) 22.662 ======================= Grid point 222 (109/128) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 21.700 0.000 0.515) 21.706 2.021 ( 17.111 0.000 -12.264) 21.052 2.215 ( -3.622 0.000 9.167) 9.857 2.553 ( -4.246 0.000 5.847) 7.226 2.665 ( -6.204 0.000 3.322) 7.038 2.706 ( 4.232 0.000 -5.433) 6.887 2.747 ( -1.371 0.000 -7.322) 7.449 2.835 ( 4.554 0.000 -0.922) 4.646 2.913 ( -8.637 0.000 8.355) 12.017 2.974 ( 0.981 0.000 -3.871) 3.993 3.426 ( -3.812 0.000 4.678) 6.034 3.618 ( -4.547 0.000 -3.136) 5.524 3.742 ( 6.510 0.000 -3.177) 7.244 3.818 ( 3.692 0.000 7.090) 7.994 3.857 ( -1.066 0.000 -1.211) 1.613 3.882 ( 10.297 0.000 2.904) 10.699 3.994 ( 7.079 0.000 0.942) 7.142 4.019 ( -0.321 0.000 -1.350) 1.388 4.061 ( 4.019 0.000 -3.914) 5.610 4.202 ( -4.484 0.000 0.654) 4.532 4.312 ( 3.989 0.000 -2.891) 4.927 4.426 ( 8.086 0.000 6.626) 10.454 4.488 ( -2.924 0.000 -0.852) 3.046 4.667 ( 2.087 0.000 -0.897) 2.271 4.769 ( 0.224 0.000 1.294) 1.313 4.857 ( -2.938 0.000 1.437) 3.271 5.071 ( 3.719 0.000 -1.441) 3.988 5.235 ( -0.485 0.000 6.417) 6.435 5.311 ( -1.741 0.000 -4.501) 4.826 5.317 ( -11.849 0.000 -2.295) 12.069 5.505 ( 3.060 0.000 -5.490) 6.286 5.531 ( 2.031 0.000 -0.340) 2.059 5.619 ( -2.121 0.000 -0.368) 2.153 5.744 ( -2.816 0.000 1.938) 3.418 5.854 ( 0.869 0.000 0.920) 1.265 5.903 ( -2.555 0.000 -4.941) 5.562 6.089 ( 0.794 0.000 -6.776) 6.822 6.126 ( -6.001 0.000 8.113) 10.091 6.322 ( 0.335 0.000 8.173) 8.180 6.323 ( 5.001 0.000 -3.880) 6.330 6.511 ( 3.992 0.000 -4.421) 5.957 6.573 ( -3.860 0.000 2.565) 4.635 6.686 ( 3.646 0.000 -6.537) 7.486 6.800 ( -3.336 0.000 3.533) 4.859 6.822 ( 7.628 0.000 -2.485) 8.023 7.022 ( -6.206 0.000 4.601) 7.726 7.266 ( 1.466 0.000 -0.107) 1.470 7.402 ( -8.303 0.000 4.179) 9.296 7.971 ( 1.681 0.000 7.033) 7.231 8.109 ( 2.087 0.000 -5.952) 6.307 8.166 ( 3.334 0.000 4.130) 5.308 8.420 ( -4.144 0.000 -3.441) 5.386 8.446 ( 1.508 0.000 -0.850) 1.731 8.609 ( -2.905 0.000 -1.269) 3.170 8.757 ( -3.180 0.000 2.696) 4.168 8.892 ( -7.066 0.000 -6.888) 9.867 10.945 ( 1.230 0.000 -0.015) 1.230 11.005 ( -0.801 0.000 -2.569) 2.691 11.261 ( 2.260 0.000 1.619) 2.780 11.298 ( -0.068 0.000 0.057) 0.089 11.429 ( 0.378 0.000 -2.954) 2.978 11.431 ( 2.864 0.000 0.541) 2.915 11.487 ( -2.230 0.000 -0.913) 2.410 11.522 ( -2.455 0.000 1.540) 2.898 11.762 ( 0.704 0.000 3.904) 3.967 11.829 ( 0.130 0.000 -0.897) 0.906 11.829 ( 0.559 0.000 3.637) 3.680 11.914 ( 0.916 0.000 -4.351) 4.447 16.455 ( -0.448 0.000 1.389) 1.459 16.496 ( -0.881 0.000 -1.594) 1.821 16.606 ( 0.220 0.000 0.142) 0.262 16.610 ( 0.168 0.000 -0.061) 0.178 23.553 ( 4.415 0.000 2.417) 5.033 23.600 ( 3.974 0.000 -1.563) 4.271 23.925 ( 7.525 0.000 17.083) 18.666 24.148 ( 8.427 0.000 -4.534) 9.569 24.554 ( -2.916 0.000 -0.151) 2.920 24.682 ( -3.914 0.000 -8.688) 9.529 25.120 ( 8.440 0.000 6.772) 10.821 25.348 ( 2.392 0.000 4.393) 5.002 25.574 ( 10.122 0.000 -4.664) 11.145 25.886 ( -8.125 0.000 13.700) 15.928 26.085 ( -16.611 0.000 0.107) 16.611 26.447 ( -11.670 0.000 -22.163) 25.048 ======================= Grid point 223 (110/128) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 9.831 0.000 -9.757) 13.851 2.165 ( -9.831 0.000 9.757) 13.851 2.359 ( -19.223 0.000 -1.232) 19.263 2.359 ( 19.223 0.000 1.232) 19.263 2.614 ( 3.417 0.000 -5.809) 6.740 2.614 ( -3.417 0.000 5.809) 6.740 2.834 ( -3.908 0.000 -0.262) 3.917 2.834 ( 3.908 0.000 0.262) 3.917 2.924 ( -0.998 0.000 -5.205) 5.300 2.924 ( 0.998 0.000 5.205) 5.300 3.467 ( -4.361 0.000 -4.861) 6.530 3.467 ( 4.361 0.000 4.861) 6.530 3.805 ( 4.545 0.000 -4.059) 6.094 3.805 ( -4.545 0.000 4.059) 6.094 3.950 ( -3.428 0.000 -3.453) 4.866 3.950 ( 3.428 0.000 3.453) 4.866 4.013 ( 2.584 0.000 -1.657) 3.070 4.013 ( -2.584 0.000 1.657) 3.070 4.167 ( 3.307 0.000 -3.896) 5.110 4.167 ( -3.307 0.000 3.896) 5.110 4.381 ( -6.164 0.000 -0.740) 6.208 4.381 ( 6.164 0.000 0.740) 6.208 4.647 ( -8.091 0.000 -5.974) 10.057 4.647 ( 8.091 0.000 5.974) 10.057 4.791 ( -9.557 0.000 1.525) 9.677 4.791 ( 9.557 0.000 -1.525) 9.677 5.127 ( -4.564 0.000 -0.222) 4.569 5.127 ( 4.564 0.000 0.222) 4.569 5.272 ( 1.201 0.000 -3.555) 3.753 5.272 ( -1.201 0.000 3.555) 3.753 5.519 ( 3.544 0.000 -3.752) 5.161 5.519 ( -3.544 0.000 3.752) 5.161 5.671 ( -3.832 0.000 -2.668) 4.669 5.671 ( 3.832 0.000 2.668) 4.669 5.868 ( 0.193 0.000 -0.681) 0.708 5.868 ( -0.193 0.000 0.681) 0.708 6.077 ( 5.850 0.000 -7.264) 9.327 6.077 ( -5.850 0.000 7.264) 9.327 6.358 ( 4.168 0.000 -6.520) 7.738 6.358 ( -4.168 0.000 6.520) 7.738 6.537 ( 3.866 0.000 -4.492) 5.926 6.537 ( -3.866 0.000 4.492) 5.926 6.746 ( 6.678 0.000 -4.369) 7.980 6.746 ( -6.678 0.000 4.369) 7.980 6.935 ( 8.245 0.000 -4.354) 9.324 6.935 ( -8.245 0.000 4.354) 9.324 7.310 ( -4.314 0.000 0.915) 4.410 7.310 ( 4.314 0.000 -0.915) 4.410 8.064 ( 0.098 0.000 -7.820) 7.821 8.064 ( -0.098 0.000 7.820) 7.821 8.293 ( -5.133 0.000 -4.879) 7.082 8.293 ( 5.133 0.000 4.879) 7.082 8.511 ( -4.632 0.000 -2.578) 5.301 8.511 ( 4.632 0.000 2.578) 5.301 8.760 ( -0.424 0.000 -4.609) 4.628 8.760 ( 0.424 0.000 4.609) 4.628 10.969 ( -0.909 0.000 -1.295) 1.583 10.969 ( 0.909 0.000 1.295) 1.583 11.297 ( -0.080 0.000 -1.002) 1.005 11.297 ( 0.080 0.000 1.002) 1.005 11.436 ( 2.552 0.000 -0.931) 2.717 11.436 ( -2.552 0.000 0.931) 2.717 11.486 ( -2.752 0.000 0.631) 2.823 11.486 ( 2.752 0.000 -0.631) 2.823 11.808 ( -0.599 0.000 -2.543) 2.613 11.808 ( 0.599 0.000 2.543) 2.613 11.876 ( 0.029 0.000 -4.779) 4.779 11.876 ( -0.029 0.000 4.779) 4.779 16.468 ( -0.331 0.000 -1.642) 1.675 16.468 ( 0.331 0.000 1.642) 1.675 16.610 ( -0.051 0.000 -0.113) 0.124 16.610 ( 0.051 0.000 0.113) 0.124 23.617 ( -0.253 0.000 -1.908) 1.925 23.617 ( 0.253 0.000 1.908) 1.925 24.148 ( 0.346 0.000 -13.646) 13.651 24.148 ( -0.346 0.000 13.646) 13.651 24.555 ( -0.744 0.000 -6.601) 6.643 24.555 ( 0.744 0.000 6.601) 6.643 25.315 ( -5.336 0.000 -4.991) 7.307 25.315 ( 5.336 0.000 4.991) 7.307 25.760 ( -13.658 0.000 1.706) 13.764 25.760 ( 13.658 0.000 -1.706) 13.764 26.081 ( -3.652 0.000 -21.837) 22.140 26.081 ( 3.652 0.000 21.837) 22.140 ======================= Grid point 229 (111/128) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 1.479 5.406 -8.546) 10.220 1.729 ( -1.479 5.406 8.546) 10.220 1.842 ( 1.887 3.978 -6.061) 7.492 1.842 ( -1.887 3.978 6.061) 7.492 2.571 ( -8.115 -3.820 -6.487) 11.069 2.571 ( 8.115 -3.820 6.487) 11.069 2.781 ( -3.821 -10.427 -3.215) 11.561 2.781 ( 3.821 -10.427 3.215) 11.561 2.842 ( 0.749 -0.267 -13.147) 13.171 2.842 ( -0.749 -0.267 13.147) 13.171 3.095 ( 3.933 8.665 -19.785) 21.955 3.095 ( -3.933 8.665 19.785) 21.955 3.360 ( 6.599 -4.331 -6.416) 10.172 3.360 ( -6.599 -4.331 6.416) 10.172 3.444 ( 2.114 6.818 -8.019) 10.736 3.444 ( -2.114 6.818 8.019) 10.736 3.798 ( -5.218 1.461 -4.051) 6.765 3.798 ( 5.218 1.461 4.051) 6.765 4.263 ( 2.510 -1.531 -3.528) 4.592 4.263 ( -2.510 -1.531 3.528) 4.592 4.490 ( -1.509 -1.695 -1.978) 3.010 4.490 ( 1.509 -1.695 1.978) 3.010 4.660 ( 0.628 1.609 -2.069) 2.696 4.660 ( -0.628 1.609 2.069) 2.696 4.895 ( -0.095 -1.581 -0.895) 1.820 4.895 ( 0.095 -1.581 0.895) 1.820 5.156 ( -4.583 -2.858 0.632) 5.438 5.156 ( 4.583 -2.858 -0.632) 5.438 5.329 ( 6.046 -3.332 -3.552) 7.764 5.329 ( -6.046 -3.332 3.552) 7.764 5.719 ( -1.092 -4.118 -3.128) 5.285 5.719 ( 1.092 -4.118 3.128) 5.285 5.864 ( -1.194 1.951 -3.916) 4.535 5.864 ( 1.194 1.951 3.916) 4.535 5.954 ( -2.059 2.592 -4.749) 5.788 5.954 ( 2.059 2.592 4.749) 5.788 6.222 ( -1.559 1.076 -2.206) 2.907 6.222 ( 1.559 1.076 2.206) 2.907 6.376 ( 2.257 1.780 -5.779) 6.455 6.376 ( -2.257 1.780 5.779) 6.455 6.570 ( -4.896 5.605 -6.016) 9.570 6.570 ( 4.896 5.605 6.016) 9.570 6.824 ( -4.017 3.717 -2.384) 5.969 6.824 ( 4.017 3.717 2.384) 5.969 7.057 ( -2.215 -1.412 -0.666) 2.710 7.057 ( 2.215 -1.412 0.666) 2.710 7.624 ( -20.555 -3.822 -10.628) 23.454 7.624 ( 20.555 -3.822 10.628) 23.454 7.928 ( 4.598 3.011 -3.280) 6.400 7.928 ( -4.598 3.011 3.280) 6.400 8.241 ( -2.539 -2.002 -1.961) 3.782 8.241 ( 2.539 -2.002 1.961) 3.782 8.523 ( -1.014 -7.179 -6.373) 9.653 8.523 ( 1.014 -7.179 6.373) 9.653 8.661 ( -0.002 -1.402 -4.064) 4.299 8.661 ( 0.002 -1.402 4.064) 4.299 10.935 ( -1.752 2.713 -1.209) 3.449 10.935 ( 1.752 2.713 1.209) 3.449 11.295 ( 0.647 0.976 -2.573) 2.827 11.295 ( -0.647 0.976 2.573) 2.827 11.512 ( 1.421 0.700 -1.838) 2.426 11.512 ( -1.421 0.700 1.838) 2.426 11.592 ( 0.312 -0.943 -1.298) 1.635 11.592 ( -0.312 -0.943 1.298) 1.635 11.714 ( -1.527 -1.660 -0.062) 2.256 11.714 ( 1.527 -1.660 0.062) 2.256 11.976 ( -2.151 3.949 -0.225) 4.503 11.976 ( 2.151 3.949 0.225) 4.503 16.526 ( -0.990 0.379 -0.309) 1.104 16.526 ( 0.990 0.379 0.309) 1.104 16.614 ( -0.475 0.085 -0.146) 0.504 16.614 ( 0.475 0.085 0.146) 0.504 23.004 ( -6.844 2.810 -2.902) 7.947 23.004 ( 6.844 2.810 2.902) 7.947 23.375 ( -5.247 -2.408 -5.231) 7.791 23.375 ( 5.247 -2.408 5.231) 7.791 24.610 ( -0.291 5.670 -3.515) 6.678 24.610 ( 0.291 5.670 3.515) 6.678 25.156 ( 4.642 -1.996 -7.506) 9.048 25.156 ( -4.642 -1.996 7.506) 9.048 25.778 ( -0.625 -0.424 -15.876) 15.894 25.778 ( 0.625 -0.424 15.876) 15.894 27.319 ( -5.576 -3.623 -6.076) 9.007 27.319 ( 5.576 -3.623 6.076) 9.007 ======================= Grid point 231 (112/128) ======================= q-point: ( 0.10 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 6.201 4.133 -23.920) 25.054 1.689 ( 8.862 6.724 -18.836) 21.875 1.981 ( 1.843 -0.525 19.756) 19.849 2.048 ( 3.515 4.819 17.772) 18.746 2.326 ( -6.127 0.306 -4.348) 7.519 2.660 ( 4.804 -5.193 -3.585) 7.931 2.775 ( 6.212 -0.511 -10.568) 12.269 2.811 ( 5.677 -7.514 -0.599) 9.437 2.944 ( 2.729 -0.469 0.885) 2.907 3.017 ( 5.940 4.038 -3.009) 7.787 3.029 ( 11.300 -1.175 -8.506) 14.192 3.296 ( 7.881 3.896 10.214) 13.476 3.342 ( -1.765 -3.282 2.770) 4.643 3.409 ( 0.173 5.382 5.791) 7.908 3.462 ( 5.377 -0.824 1.561) 5.659 3.538 ( 5.358 1.339 6.900) 8.838 3.699 ( -2.722 0.060 -1.323) 3.027 3.977 ( 8.296 3.454 6.590) 11.144 4.210 ( -5.672 -1.876 3.518) 6.933 4.262 ( -1.411 0.151 0.081) 1.421 4.354 ( -6.427 -4.926 -3.561) 8.846 4.473 ( -4.034 0.473 -0.759) 4.132 4.684 ( -0.784 3.720 4.967) 6.255 4.718 ( 2.100 -0.040 0.651) 2.199 4.797 ( -6.783 -0.508 1.716) 7.015 4.936 ( -3.113 -2.698 -1.641) 4.435 5.015 ( -5.953 -0.762 0.592) 6.031 5.193 ( 1.460 -5.788 -1.185) 6.086 5.294 ( -2.035 -4.782 4.357) 6.781 5.396 ( 2.947 -2.243 -3.913) 5.387 5.617 ( -3.810 -4.114 -4.824) 7.397 5.685 ( -3.168 -4.159 -2.160) 5.656 5.818 ( -5.162 4.136 -2.186) 6.966 5.880 ( 1.916 1.415 -0.654) 2.470 5.961 ( 3.724 2.453 2.679) 5.202 6.016 ( 0.055 3.399 2.738) 4.365 6.167 ( -2.112 -0.715 -0.344) 2.256 6.211 ( -3.147 3.857 -3.335) 5.992 6.363 ( -1.280 1.183 -4.208) 4.555 6.389 ( 3.105 2.320 -1.182) 4.052 6.482 ( 1.211 1.858 -2.862) 3.621 6.709 ( 3.966 4.540 3.981) 7.224 6.748 ( -2.699 1.765 -0.672) 3.294 6.892 ( -7.045 -0.064 2.709) 7.549 6.972 ( 4.831 7.107 0.649) 8.618 7.131 ( -4.474 -1.697 -1.723) 5.086 7.191 ( -7.418 -0.965 -10.337) 12.760 7.812 ( -8.543 -0.087 5.487) 10.154 7.911 ( 0.282 1.940 -0.985) 2.194 8.127 ( 8.314 1.272 -0.992) 8.469 8.165 ( -2.015 -3.634 0.249) 4.163 8.319 ( 8.262 -4.590 9.130) 13.141 8.462 ( 1.408 -6.828 -5.110) 8.644 8.579 ( 0.138 -4.379 2.874) 5.240 8.643 ( -0.958 -0.437 2.777) 2.970 8.734 ( 3.600 -4.987 1.173) 6.261 10.911 ( 0.618 3.262 -1.403) 3.604 10.990 ( 3.273 2.250 0.153) 3.974 11.278 ( 0.396 1.683 -3.084) 3.536 11.308 ( -0.532 0.299 2.465) 2.540 11.483 ( -2.484 2.303 0.800) 3.481 11.512 ( -0.028 0.793 -1.764) 1.934 11.573 ( -1.115 -0.689 -1.240) 1.805 11.595 ( -0.527 -1.583 0.741) 1.825 11.680 ( -1.297 -2.662 1.471) 3.306 11.768 ( 2.865 -0.514 -0.182) 2.916 11.929 ( -2.086 2.825 -0.037) 3.512 11.980 ( -2.286 3.524 -0.816) 4.279 16.503 ( -1.402 0.371 0.036) 1.450 16.544 ( 0.575 0.413 0.387) 0.807 16.600 ( -0.691 -0.318 -0.474) 0.896 16.619 ( 0.170 0.319 -0.211) 0.419 22.930 ( 2.737 1.518 -2.168) 3.807 23.202 ( 11.687 3.328 1.003) 12.193 23.283 ( 0.666 -2.949 -3.986) 5.003 23.560 ( 9.367 -1.710 4.667) 10.604 24.569 ( -0.768 3.035 -1.554) 3.495 24.678 ( 2.968 6.809 2.899) 7.973 25.136 ( -2.119 -2.187 1.091) 3.235 25.160 ( 0.934 -1.372 -2.436) 2.948 25.611 ( -1.074 1.438 -13.610) 13.728 25.915 ( -2.673 -1.370 15.106) 15.402 27.097 ( -12.682 -0.823 -4.611) 13.519 27.383 ( -4.931 -6.296 4.119) 8.996 ======================= Grid point 232 (113/128) ======================= q-point: ( 0.20 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 9.789 5.468 -16.614) 20.044 1.723 ( 15.253 5.954 -18.474) 24.686 2.146 ( -2.605 0.553 7.198) 7.674 2.224 ( 4.216 -2.211 16.674) 17.340 2.425 ( 7.370 2.411 12.324) 14.560 2.708 ( 4.381 1.561 -4.675) 6.594 2.805 ( 2.023 -3.382 -1.660) 4.277 2.894 ( 6.267 -0.141 -8.625) 10.662 2.980 ( 0.461 -2.562 2.585) 3.669 3.093 ( 20.254 9.380 -18.559) 29.028 3.141 ( -0.031 -2.862 1.025) 3.041 3.349 ( 6.471 -0.223 -3.307) 7.271 3.443 ( 5.431 -2.000 1.632) 6.014 3.557 ( 3.602 2.285 8.238) 9.276 3.619 ( 3.204 -1.913 0.420) 3.756 3.669 ( 5.070 3.305 10.369) 12.006 3.784 ( 8.829 -5.991 4.990) 11.779 4.139 ( -1.723 -3.235 -0.098) 3.666 4.158 ( -3.964 -0.606 3.923) 5.610 4.228 ( -3.756 -0.237 1.644) 4.107 4.277 ( 6.784 6.024 0.533) 9.088 4.368 ( -9.044 -2.022 3.446) 9.887 4.639 ( -7.594 -0.916 -1.271) 7.754 4.695 ( -3.147 0.382 1.115) 3.361 4.745 ( -3.552 1.359 3.172) 4.952 4.802 ( -4.774 5.002 5.485) 8.826 5.007 ( 1.149 -7.419 -2.966) 8.073 5.188 ( -0.401 -5.166 -2.522) 5.763 5.294 ( -2.284 -5.186 -0.002) 5.667 5.367 ( 0.063 -4.360 -0.208) 4.366 5.535 ( 0.911 -2.610 -6.796) 7.337 5.637 ( -0.639 -5.344 0.109) 5.383 5.705 ( -4.905 3.578 -1.036) 6.159 5.916 ( 1.274 2.912 0.468) 3.213 5.993 ( -3.830 2.454 -2.112) 5.015 6.026 ( -0.202 1.967 1.810) 2.681 6.111 ( -1.273 1.219 -2.197) 2.816 6.141 ( -1.101 4.608 -0.778) 4.801 6.293 ( -1.035 0.365 -3.685) 3.844 6.399 ( -2.210 2.509 -0.150) 3.347 6.508 ( 4.772 0.191 -6.328) 7.928 6.691 ( -2.657 1.177 -2.327) 3.723 6.724 ( -3.063 0.734 -1.314) 3.412 6.835 ( 0.288 2.666 2.413) 3.608 6.896 ( -7.002 5.472 -1.192) 8.966 7.087 ( 3.388 6.475 3.023) 7.909 7.180 ( 1.582 -3.558 -3.381) 5.157 7.672 ( -10.695 0.398 4.780) 11.721 7.903 ( -0.259 2.447 0.412) 2.495 8.116 ( -0.360 -0.746 -1.360) 1.592 8.131 ( -2.015 -0.120 -0.707) 2.139 8.438 ( 0.218 -4.462 -3.733) 5.821 8.521 ( 1.480 -0.738 -0.155) 1.661 8.655 ( -1.961 -0.006 4.507) 4.915 8.733 ( 7.361 -10.315 7.538) 14.745 8.790 ( 2.568 -7.817 3.055) 8.777 10.927 ( 2.171 3.580 -0.993) 4.303 11.045 ( 3.068 2.358 -0.865) 3.965 11.247 ( -0.076 2.022 -3.703) 4.220 11.325 ( -0.262 -0.255 2.335) 2.363 11.441 ( -2.089 4.583 -0.583) 5.070 11.488 ( -0.777 0.664 -1.136) 1.529 11.547 ( -0.699 -1.139 -0.005) 1.336 11.585 ( -1.322 -1.386 0.313) 1.941 11.689 ( 0.222 -2.633 1.622) 3.100 11.808 ( 1.604 -0.003 -0.270) 1.626 11.865 ( -5.420 2.832 -1.436) 6.282 11.929 ( 0.191 1.520 -1.079) 1.874 16.479 ( -1.395 0.435 0.436) 1.525 16.552 ( -0.096 0.776 0.006) 0.781 16.583 ( -0.486 -1.101 -0.418) 1.274 16.617 ( -0.021 0.318 -0.420) 0.527 23.062 ( 10.259 -3.820 2.917) 11.329 23.293 ( 4.047 -3.896 -0.954) 5.698 23.457 ( 13.869 5.138 1.567) 14.873 23.785 ( 10.758 -0.560 3.750) 11.407 24.548 ( 0.173 -0.646 -1.958) 2.069 24.771 ( 3.240 5.773 4.167) 7.823 25.071 ( -1.549 -1.307 -7.404) 7.676 25.174 ( -0.666 0.821 6.132) 6.223 25.508 ( 2.532 2.793 -9.501) 10.222 25.967 ( -6.530 -1.427 12.472) 14.150 26.791 ( -16.529 0.941 -3.643) 16.952 27.208 ( -13.872 -6.636 -4.575) 16.043 ======================= Grid point 233 (114/128) ======================= q-point: ( 0.30 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 16.275 5.265 -6.364) 18.251 1.874 ( 18.400 5.172 -13.409) 23.348 2.195 ( -1.199 2.243 8.997) 9.350 2.418 ( 1.266 -4.235 11.698) 12.506 2.614 ( 3.539 0.572 2.269) 4.243 2.770 ( 5.781 4.663 -0.862) 7.477 2.790 ( -1.747 -0.794 0.954) 2.143 2.863 ( -0.680 0.715 -5.716) 5.800 2.988 ( -2.321 -0.737 1.274) 2.749 3.093 ( -3.568 5.198 1.266) 6.431 3.352 ( 17.293 -0.654 -6.969) 18.656 3.469 ( 4.318 -3.758 3.357) 6.637 3.577 ( 10.163 -1.851 -3.479) 10.900 3.664 ( 5.546 -0.845 -0.543) 5.636 3.742 ( 8.603 0.051 4.863) 9.883 3.817 ( 1.381 2.787 2.846) 4.216 3.938 ( 3.365 -4.750 2.296) 6.258 4.029 ( -4.774 -1.432 -2.271) 5.477 4.134 ( -3.151 0.523 0.046) 3.194 4.183 ( -3.321 -2.054 2.433) 4.601 4.265 ( -1.583 0.015 3.602) 3.934 4.390 ( 1.730 3.516 -0.670) 3.975 4.514 ( -3.468 0.038 -0.770) 3.552 4.648 ( -4.126 -0.937 -0.480) 4.258 4.736 ( 4.972 2.584 0.976) 5.688 4.862 ( -1.232 1.208 6.484) 6.710 4.980 ( 0.602 -7.320 -1.233) 7.448 5.146 ( -1.862 -3.203 -0.243) 3.713 5.240 ( -1.985 -7.164 -1.461) 7.576 5.401 ( 1.517 -4.241 -0.690) 4.557 5.505 ( 2.376 -2.736 -8.086) 8.861 5.606 ( -3.276 -5.775 1.233) 6.753 5.654 ( -1.130 4.177 2.299) 4.899 5.859 ( -4.091 4.260 -6.984) 9.147 5.930 ( -0.202 5.072 1.108) 5.196 6.018 ( -0.005 -3.385 -0.576) 3.434 6.056 ( -3.315 2.352 -1.837) 4.461 6.165 ( 2.298 4.517 0.844) 5.138 6.272 ( 0.721 0.584 -1.152) 1.479 6.340 ( -2.504 4.028 0.208) 4.748 6.500 ( 1.190 -0.016 -3.542) 3.737 6.606 ( -3.181 -1.391 -1.524) 3.792 6.745 ( 3.588 1.732 -0.294) 3.995 6.781 ( -3.385 3.315 -1.510) 4.973 6.885 ( 0.522 6.198 1.723) 6.454 7.122 ( -4.496 5.996 4.324) 8.652 7.173 ( 1.531 -5.565 -1.120) 5.880 7.549 ( -8.720 1.995 5.521) 10.512 7.923 ( 0.813 2.617 3.270) 4.266 8.098 ( -0.562 -0.892 1.965) 2.230 8.126 ( 2.264 0.471 -3.128) 3.890 8.402 ( -0.953 -3.660 -2.003) 4.279 8.504 ( -1.299 -0.635 -2.180) 2.616 8.651 ( -2.153 0.025 1.752) 2.776 8.758 ( -2.216 -3.580 1.078) 4.347 8.890 ( -0.742 -12.922 0.330) 12.947 10.959 ( 1.967 3.571 -0.496) 4.107 11.072 ( 0.829 3.322 -1.887) 3.909 11.224 ( 1.341 1.173 -1.648) 2.427 11.333 ( -1.217 0.065 1.335) 1.807 11.418 ( 0.643 3.287 -0.946) 3.480 11.462 ( -0.246 0.550 -2.172) 2.254 11.543 ( -0.821 0.972 1.202) 1.750 11.549 ( -2.501 -0.382 -0.272) 2.544 11.707 ( 0.069 -1.794 1.650) 2.438 11.786 ( -0.803 -0.166 0.940) 1.248 11.836 ( 0.426 0.952 0.346) 1.099 11.930 ( 1.146 0.368 -2.226) 2.530 16.463 ( -1.012 0.568 0.902) 1.470 16.535 ( -0.987 0.726 -1.196) 1.713 16.583 ( 0.246 -1.216 0.451) 1.321 16.612 ( 0.000 0.028 -0.458) 0.459 23.283 ( 8.871 -9.165 4.139) 13.410 23.382 ( 5.175 -5.576 1.004) 7.674 23.734 ( 12.128 5.057 6.300) 14.572 24.005 ( 9.674 0.902 2.904) 10.141 24.525 ( -0.203 -3.630 -3.056) 4.750 24.814 ( -2.918 0.238 -1.287) 3.198 25.030 ( 4.311 5.892 1.093) 7.382 25.267 ( 3.431 2.338 7.902) 8.926 25.508 ( 5.789 2.713 -6.671) 9.240 25.931 ( -9.242 -1.125 10.175) 13.792 26.444 ( -17.844 1.707 -3.513) 18.266 26.837 ( -15.444 -4.943 -14.927) 22.040 ======================= Grid point 234 (115/128) ======================= q-point: ( 0.40 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 18.690 0.803 -4.552) 19.253 2.112 ( 17.294 7.402 -3.622) 19.157 2.238 ( -4.698 1.496 8.666) 9.971 2.495 ( -1.699 -3.392 5.552) 6.724 2.632 ( -3.422 0.641 2.470) 4.269 2.749 ( -1.700 0.965 -7.557) 7.805 2.799 ( 3.421 4.643 -3.569) 6.783 2.862 ( 1.414 0.294 0.915) 1.709 2.928 ( -4.289 1.263 1.876) 4.849 3.051 ( -3.945 7.313 1.929) 8.530 3.437 ( -1.072 0.437 3.271) 3.470 3.598 ( 1.875 -7.784 -3.336) 8.674 3.684 ( 4.128 -0.009 2.376) 4.762 3.758 ( 4.850 -1.428 4.054) 6.480 3.837 ( -1.840 -1.025 -1.467) 2.566 3.891 ( 4.221 -2.028 2.170) 5.162 3.977 ( -1.279 -3.232 2.016) 4.018 3.994 ( 1.673 -1.958 -0.057) 2.576 4.091 ( 4.529 1.755 -3.473) 5.971 4.165 ( 0.068 0.283 0.043) 0.295 4.326 ( 2.408 -0.923 -4.002) 4.762 4.422 ( 4.441 -1.113 3.957) 6.051 4.473 ( -2.238 -0.802 -0.127) 2.381 4.653 ( 5.950 1.311 0.427) 6.108 4.758 ( -4.587 -3.942 -3.367) 6.923 4.865 ( 1.558 0.434 0.540) 1.705 5.030 ( 2.848 -2.946 -0.003) 4.098 5.140 ( -0.381 -5.910 3.216) 6.739 5.203 ( -1.024 -4.336 -0.156) 4.458 5.292 ( -7.716 -2.755 -6.759) 10.622 5.505 ( 2.947 -2.846 0.074) 4.098 5.599 ( 1.268 -0.155 -3.396) 3.628 5.669 ( -0.089 2.976 2.648) 3.985 5.752 ( -2.577 6.048 -2.764) 7.131 5.936 ( -0.081 4.756 0.225) 4.762 5.972 ( -1.026 5.922 -2.975) 6.706 6.030 ( 0.600 -4.026 -0.622) 4.117 6.155 ( -5.696 3.060 2.586) 6.964 6.309 ( 3.993 -0.296 -0.031) 4.004 6.352 ( 0.646 1.889 2.973) 3.581 6.501 ( 1.272 -1.216 -1.794) 2.512 6.543 ( -2.270 -2.484 -0.912) 3.486 6.724 ( 0.870 2.541 -0.628) 2.758 6.814 ( 2.917 1.509 -1.871) 3.780 6.905 ( 1.098 6.040 -0.006) 6.139 7.037 ( -8.886 1.587 5.219) 10.427 7.218 ( 3.679 -2.073 0.904) 4.319 7.446 ( -8.119 2.732 3.447) 9.234 7.999 ( 1.792 2.508 6.878) 7.537 8.128 ( 2.505 1.567 -4.923) 5.741 8.152 ( 2.844 -1.220 3.843) 4.934 8.362 ( -2.376 -3.668 -1.170) 4.524 8.450 ( -0.969 -0.806 -2.420) 2.728 8.599 ( -4.016 -1.334 -2.119) 4.733 8.726 ( -2.101 -2.575 1.375) 3.597 8.796 ( -3.985 -8.141 -5.199) 10.449 10.984 ( 1.050 3.402 0.117) 3.562 11.042 ( -0.900 3.439 -2.588) 4.397 11.264 ( 2.076 0.394 1.641) 2.675 11.318 ( -0.835 0.475 0.208) 0.982 11.416 ( 1.003 -0.234 -2.219) 2.446 11.467 ( 2.455 2.637 -0.893) 3.712 11.499 ( -2.598 0.934 -0.703) 2.849 11.532 ( -1.853 1.383 1.412) 2.709 11.742 ( 1.111 -1.685 3.104) 3.703 11.807 ( 0.473 -1.686 1.034) 2.034 11.843 ( 0.088 0.890 1.370) 1.636 11.918 ( 0.489 0.161 -3.563) 3.600 16.462 ( -0.369 0.671 1.326) 1.531 16.503 ( -0.889 0.617 -1.592) 1.925 16.593 ( 0.264 -0.955 0.624) 1.171 16.608 ( 0.016 -0.368 -0.487) 0.610 23.438 ( 5.173 -9.943 1.580) 11.319 23.472 ( 2.891 -7.442 1.527) 8.129 23.988 ( 7.477 1.103 8.588) 11.440 24.163 ( 5.321 0.101 -0.344) 5.333 24.495 ( 0.462 -2.120 -1.401) 2.583 24.691 ( -5.520 1.149 -4.673) 7.324 25.204 ( 7.774 6.830 7.604) 12.842 25.422 ( 4.755 5.101 4.024) 8.051 25.581 ( 8.675 1.083 -4.146) 9.675 25.872 ( -7.805 -1.395 12.889) 15.133 26.102 ( -16.120 1.571 -2.227) 16.348 26.409 ( -11.714 -3.457 -20.834) 24.150 ======================= Grid point 235 (116/128) ======================= q-point: (-0.50 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 10.910 -0.422 -8.397) 13.774 2.169 ( -10.910 -0.422 8.397) 13.774 2.406 ( -12.476 4.605 -2.022) 13.451 2.406 ( 12.476 4.605 2.022) 13.451 2.613 ( 1.565 1.316 -8.641) 8.879 2.613 ( -1.565 1.316 8.641) 8.879 2.866 ( 0.579 0.383 -5.129) 5.176 2.866 ( -0.579 0.383 5.129) 5.176 2.953 ( -0.155 4.119 -3.372) 5.325 2.953 ( 0.155 4.119 3.371) 5.325 3.499 ( -2.781 1.620 -4.450) 5.492 3.499 ( 2.781 1.620 4.450) 5.492 3.769 ( 2.155 -2.798 -3.467) 4.949 3.769 ( -2.155 -2.798 3.467) 4.949 3.910 ( -4.186 -4.424 -4.416) 7.523 3.910 ( 4.186 -4.424 4.416) 7.523 3.975 ( 0.607 -1.693 -2.117) 2.778 3.975 ( -0.607 -1.693 2.117) 2.778 4.157 ( -1.964 -0.496 -3.166) 3.758 4.157 ( 1.964 -0.496 3.166) 3.758 4.372 ( -3.463 -0.942 -2.612) 4.439 4.372 ( 3.463 -0.942 2.612) 4.439 4.598 ( -7.076 -4.432 -4.827) 9.644 4.598 ( 7.076 -4.432 4.827) 9.644 4.818 ( -7.559 0.865 -0.974) 7.670 4.818 ( 7.559 0.865 0.974) 7.670 5.094 ( -3.344 -1.861 -3.206) 4.993 5.094 ( 3.344 -1.861 3.206) 4.993 5.192 ( 0.130 -4.064 -1.645) 4.386 5.192 ( -0.130 -4.064 1.645) 4.386 5.564 ( -1.583 -0.911 -2.800) 3.343 5.564 ( 1.583 -0.911 2.800) 3.343 5.697 ( 0.415 5.095 -3.312) 6.091 5.697 ( -0.415 5.095 3.312) 6.091 5.944 ( -1.185 5.107 -0.003) 5.243 5.944 ( 1.185 5.107 0.003) 5.243 6.065 ( 4.309 -0.067 -5.153) 6.717 6.065 ( -4.309 -0.067 5.153) 6.717 6.364 ( 3.964 0.789 -6.028) 7.257 6.364 ( -3.964 0.789 6.028) 7.257 6.510 ( 1.627 -2.311 -2.758) 3.949 6.510 ( -1.627 -2.311 2.758) 3.949 6.789 ( 1.511 1.949 -4.574) 5.196 6.789 ( -1.511 1.949 4.574) 5.196 6.943 ( 5.505 2.063 -5.734) 8.212 6.943 ( -5.505 2.063 5.734) 8.212 7.323 ( -6.319 1.109 -0.369) 6.426 7.323 ( 6.319 1.109 0.369) 6.426 8.093 ( 0.181 2.508 -7.632) 8.035 8.093 ( -0.181 2.508 7.632) 8.035 8.268 ( -4.660 -2.144 -4.018) 6.516 8.268 ( 4.660 -2.144 4.018) 6.516 8.480 ( -3.660 -2.903 -3.153) 5.636 8.480 ( 3.660 -2.903 3.153) 5.636 8.723 ( 1.012 -3.118 -3.599) 4.868 8.723 ( -1.012 -3.118 3.599) 4.868 11.006 ( -0.744 3.305 -1.457) 3.688 11.006 ( 0.744 3.305 1.457) 3.688 11.303 ( -0.753 -0.121 -1.004) 1.261 11.303 ( 0.753 -0.121 1.004) 1.261 11.442 ( -2.646 0.975 -0.062) 2.820 11.442 ( 2.646 0.975 0.062) 2.820 11.505 ( 0.971 1.687 -0.650) 2.053 11.505 ( -0.971 1.687 0.650) 2.053 11.791 ( -0.892 -1.555 -2.467) 3.050 11.791 ( 0.892 -1.555 2.467) 3.050 11.880 ( -0.237 0.278 -4.183) 4.198 11.880 ( 0.237 0.278 4.183) 4.198 16.476 ( -0.335 0.670 -1.596) 1.763 16.476 ( 0.335 0.670 1.596) 1.763 16.602 ( -0.094 -0.701 -0.576) 0.912 16.602 ( 0.094 -0.701 0.576) 0.912 23.500 ( 0.586 -8.971 -0.771) 9.023 23.500 ( -0.586 -8.971 0.771) 9.023 24.154 ( -0.576 -2.003 -8.235) 8.495 24.154 ( 0.576 -2.003 8.235) 8.495 24.554 ( -3.617 1.926 -4.401) 6.013 24.554 ( 3.617 1.926 4.401) 6.013 25.399 ( -4.627 6.663 -6.669) 10.501 25.399 ( 4.627 6.663 6.669) 10.501 25.771 ( -9.223 0.936 -2.454) 9.589 25.771 ( 9.223 0.936 2.454) 9.589 26.052 ( -3.705 -2.560 -20.306) 20.799 26.052 ( 3.705 -2.560 20.306) 20.799 ======================= Grid point 241 (117/128) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 2.760 5.379 -17.687) 18.692 1.843 ( -2.760 5.379 17.687) 18.692 2.000 ( -0.328 10.242 -15.710) 18.757 2.000 ( 0.328 10.242 15.710) 18.757 2.438 ( -0.334 -8.540 -6.192) 10.554 2.438 ( 0.334 -8.540 6.192) 10.554 2.556 ( -2.739 -9.729 -6.460) 11.995 2.556 ( 2.739 -9.729 6.460) 11.995 2.872 ( 0.997 2.171 -6.635) 7.052 2.872 ( -0.997 2.171 6.635) 7.052 3.194 ( 1.960 -3.552 -1.545) 4.341 3.194 ( -1.960 -3.552 1.545) 4.341 3.340 ( 4.187 6.732 -13.790) 15.906 3.340 ( -4.187 6.732 13.790) 15.906 3.564 ( 3.608 4.518 -9.654) 11.253 3.564 ( -3.608 4.518 9.654) 11.253 3.862 ( -4.893 3.971 -4.339) 7.651 3.862 ( 4.893 3.971 4.339) 7.651 4.163 ( -4.199 -7.688 0.605) 8.781 4.163 ( 4.199 -7.688 -0.605) 8.781 4.499 ( -4.115 2.029 -5.098) 6.858 4.499 ( 4.115 2.029 5.098) 6.858 4.669 ( -1.854 -0.003 -3.314) 3.797 4.669 ( 1.854 -0.003 3.314) 3.797 4.880 ( 3.043 -0.004 -1.949) 3.613 4.880 ( -3.043 -0.004 1.949) 3.613 5.073 ( 1.051 -4.421 -2.028) 4.976 5.073 ( -1.051 -4.421 2.028) 4.976 5.302 ( -1.530 0.776 -1.647) 2.378 5.302 ( 1.530 0.776 1.647) 2.378 5.600 ( -1.787 -6.262 -4.195) 7.747 5.600 ( 1.787 -6.262 4.195) 7.747 5.899 ( -1.458 1.435 -4.371) 4.826 5.899 ( 1.458 1.435 4.371) 4.826 5.986 ( -2.088 0.321 -4.978) 5.408 5.986 ( 2.088 0.321 4.978) 5.408 6.258 ( -2.479 1.917 -2.111) 3.779 6.258 ( 2.479 1.917 2.111) 3.779 6.414 ( 2.361 1.467 -4.301) 5.121 6.414 ( -2.361 1.467 4.301) 5.121 6.711 ( -3.287 6.304 -4.752) 8.552 6.711 ( 3.287 6.304 4.752) 8.552 6.923 ( -0.558 4.601 -6.527) 8.005 6.923 ( 0.558 4.601 6.527) 8.005 7.046 ( -0.048 2.365 -3.129) 3.922 7.046 ( 0.048 2.365 3.129) 3.922 7.491 ( -14.446 -9.259 -11.946) 20.908 7.491 ( 14.446 -9.259 11.946) 20.908 7.988 ( 2.739 1.898 -2.536) 4.187 7.988 ( -2.739 1.898 2.536) 4.187 8.199 ( -2.163 -1.041 -3.437) 4.192 8.199 ( 2.163 -1.041 3.437) 4.192 8.376 ( 0.321 -5.618 -5.976) 8.208 8.376 ( -0.321 -5.618 5.976) 8.208 8.635 ( 0.462 -1.106 -3.525) 3.724 8.635 ( -0.462 -1.106 3.525) 3.724 11.002 ( -0.812 3.108 -1.158) 3.415 11.002 ( 0.812 3.108 1.158) 3.415 11.323 ( 0.396 1.960 -0.849) 2.172 11.323 ( -0.396 1.960 0.849) 2.172 11.477 ( -0.484 -3.702 -0.932) 3.848 11.477 ( 0.484 -3.702 0.932) 3.848 11.600 ( 2.483 0.886 -1.266) 2.925 11.600 ( -2.483 0.886 1.266) 2.925 11.686 ( -2.693 -0.707 -0.452) 2.821 11.686 ( 2.693 -0.707 0.452) 2.821 12.054 ( -1.435 2.956 -0.459) 3.318 12.054 ( 1.435 2.956 0.459) 3.318 16.535 ( -0.702 0.345 -0.327) 0.848 16.535 ( 0.702 0.345 0.327) 0.848 16.615 ( -0.506 0.054 -0.167) 0.536 16.615 ( 0.506 0.054 0.167) 0.536 23.085 ( -6.356 4.788 -3.871) 8.849 23.085 ( 6.356 4.788 3.871) 8.849 23.301 ( -5.708 -4.500 -5.203) 8.939 23.301 ( 5.708 -4.500 5.203) 8.939 24.755 ( 0.406 7.394 -5.788) 9.398 24.755 ( -0.406 7.394 5.788) 9.398 25.093 ( 2.917 -3.874 -6.419) 8.045 25.093 ( -2.917 -3.874 6.419) 8.045 25.767 ( -0.916 -0.554 -9.430) 9.491 25.767 ( 0.916 -0.554 9.430) 9.491 27.241 ( -2.865 -3.179 -3.182) 5.333 27.241 ( 2.865 -3.179 3.182) 5.333 ======================= Grid point 243 (118/128) ======================= q-point: ( 0.10 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 4.068 6.533 -18.054) 19.626 1.892 ( 3.101 9.029 -10.873) 14.469 1.960 ( 3.106 1.451 6.747) 7.568 2.167 ( -0.232 6.127 12.158) 13.617 2.378 ( 0.818 3.084 2.669) 4.160 2.510 ( 2.596 -8.199 5.827) 10.389 2.596 ( 8.803 -10.908 2.633) 14.263 2.750 ( 8.815 -3.799 -1.705) 9.749 2.898 ( 4.100 -2.404 0.460) 4.776 2.941 ( 3.091 -1.462 3.055) 4.585 3.172 ( 0.507 -2.893 1.398) 3.253 3.222 ( 5.619 2.862 -8.058) 10.232 3.351 ( 5.514 -1.999 -3.291) 6.725 3.490 ( 5.291 4.053 11.277) 13.100 3.554 ( 4.767 8.413 -6.727) 11.780 3.634 ( 1.360 5.336 7.097) 8.982 3.748 ( -3.419 5.323 -1.350) 6.469 3.974 ( -0.119 -4.697 4.533) 6.528 4.098 ( -0.138 -5.088 2.511) 5.675 4.220 ( 1.726 -4.019 -0.059) 4.374 4.393 ( -1.930 4.993 -3.075) 6.173 4.526 ( -4.291 5.229 -1.521) 6.933 4.644 ( 1.084 -6.726 -1.440) 6.964 4.726 ( 0.215 0.265 5.201) 5.212 4.814 ( -5.713 2.718 1.264) 6.452 4.888 ( -0.207 -1.916 -1.994) 2.773 5.007 ( -5.194 -0.918 -1.933) 5.617 5.053 ( -0.320 -5.651 -2.893) 6.357 5.222 ( -3.926 -2.249 3.935) 5.996 5.340 ( -1.552 -4.107 -4.219) 6.088 5.510 ( -1.068 -2.762 -3.196) 4.357 5.614 ( -1.744 -3.574 -2.501) 4.698 5.872 ( -3.528 1.096 -3.762) 5.272 5.888 ( 2.242 -0.248 -1.551) 2.737 6.015 ( 3.801 2.515 4.282) 6.254 6.069 ( 1.225 1.142 3.808) 4.160 6.175 ( -3.797 2.149 -0.712) 4.420 6.280 ( -0.987 1.325 -0.173) 1.661 6.405 ( -1.067 1.847 -3.757) 4.320 6.419 ( -1.772 0.312 3.141) 3.620 6.580 ( -1.444 7.029 -6.623) 9.765 6.752 ( -0.927 0.298 -0.370) 1.042 6.855 ( -1.395 6.337 -2.320) 6.891 6.904 ( -4.923 2.099 3.168) 6.219 7.047 ( 1.122 -4.076 -2.559) 4.942 7.154 ( -9.048 -1.199 -6.770) 11.364 7.192 ( 6.918 9.881 3.805) 12.648 7.750 ( -3.735 -8.480 8.448) 12.539 7.959 ( 0.865 2.526 -0.102) 2.672 8.048 ( 5.510 -4.242 1.380) 7.089 8.160 ( 2.162 1.207 -1.752) 3.033 8.220 ( -1.099 -3.343 0.872) 3.625 8.361 ( 2.696 -2.972 -0.219) 4.019 8.459 ( 1.567 -6.480 4.205) 7.882 8.620 ( 0.732 -0.802 -1.267) 1.669 8.663 ( -0.547 -1.905 3.901) 4.376 10.995 ( 1.266 4.127 -1.114) 4.458 11.042 ( 2.533 2.210 0.588) 3.413 11.314 ( -0.331 0.718 0.009) 0.791 11.329 ( 0.429 2.929 -1.409) 3.279 11.463 ( -0.058 -4.048 -0.538) 4.084 11.494 ( 0.494 -1.923 0.647) 2.088 11.568 ( -2.092 0.062 1.413) 2.525 11.625 ( -3.174 -0.126 -0.218) 3.184 11.632 ( 2.074 1.875 -1.394) 3.124 11.745 ( 3.182 -1.552 -0.401) 3.563 11.996 ( -3.442 3.121 -0.745) 4.705 12.040 ( -2.863 1.713 -1.271) 3.570 16.515 ( -1.204 0.760 -0.015) 1.424 16.546 ( 0.137 -0.362 0.423) 0.574 16.601 ( -0.713 0.433 -0.523) 0.984 16.621 ( 0.135 -0.161 -0.207) 0.295 22.986 ( -0.179 3.857 -2.482) 4.590 23.194 ( -1.120 -4.944 -3.440) 6.127 23.291 ( 11.961 4.646 2.485) 13.070 23.499 ( 10.163 -4.111 4.654) 11.910 24.679 ( -3.210 6.961 -2.058) 7.937 24.819 ( 0.710 5.359 3.839) 6.630 25.066 ( 0.184 -3.701 -2.988) 4.760 25.120 ( 0.162 -2.737 2.734) 3.872 25.666 ( -0.550 3.935 -7.595) 8.572 25.863 ( -0.720 -3.706 9.061) 9.816 27.089 ( -9.958 0.503 -3.523) 10.575 27.239 ( -5.654 -6.599 0.752) 8.723 ======================= Grid point 244 (119/128) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 7.615 8.017 -9.229) 14.402 1.883 ( 8.545 6.045 -11.215) 15.341 2.102 ( 6.029 0.816 4.617) 7.638 2.285 ( 0.693 5.541 13.591) 14.693 2.472 ( 3.324 -0.065 5.401) 6.343 2.631 ( 3.454 -7.264 6.158) 10.130 2.784 ( 5.251 -1.283 1.011) 5.499 2.867 ( 7.094 0.092 -5.113) 8.745 2.950 ( -0.127 -0.755 6.036) 6.085 3.047 ( 9.188 -5.513 0.625) 10.733 3.219 ( 8.239 0.237 -8.659) 11.955 3.317 ( 6.282 -1.304 3.249) 7.192 3.392 ( 0.016 -3.822 -0.346) 3.837 3.561 ( 3.395 2.217 -0.652) 4.107 3.652 ( -2.789 3.021 4.649) 6.207 3.750 ( 13.320 6.727 0.198) 14.924 3.797 ( 5.098 2.828 0.943) 5.906 3.983 ( -0.478 -6.064 4.647) 7.655 4.170 ( 0.831 -1.100 1.294) 1.891 4.234 ( -0.117 2.245 -0.007) 2.248 4.357 ( -3.624 0.889 0.975) 3.857 4.434 ( -1.516 4.819 -1.291) 5.214 4.594 ( -1.910 -2.195 -3.917) 4.880 4.724 ( -3.592 2.028 0.762) 4.195 4.758 ( -3.076 -0.035 2.373) 3.885 4.859 ( -0.203 -0.803 -1.554) 1.761 4.910 ( -2.705 -0.002 -0.842) 2.834 5.037 ( 2.375 -7.090 -1.815) 7.694 5.183 ( -4.870 -6.421 -0.539) 8.076 5.260 ( -0.850 -5.784 1.320) 5.994 5.456 ( -0.701 -2.423 -8.171) 8.551 5.536 ( -2.478 -3.958 -4.146) 6.245 5.777 ( -3.079 3.295 -1.040) 4.628 5.914 ( 0.675 -2.251 -1.181) 2.630 6.054 ( -2.837 2.591 -0.512) 3.876 6.079 ( -2.672 1.942 1.272) 3.539 6.146 ( -0.589 2.880 2.248) 3.701 6.246 ( -0.589 2.698 -1.621) 3.202 6.334 ( -0.466 3.003 -3.960) 4.992 6.398 ( -1.548 -1.381 0.565) 2.150 6.557 ( 1.976 3.912 -4.069) 5.980 6.713 ( -3.893 -1.873 -1.549) 4.590 6.762 ( -2.423 4.808 -1.822) 5.684 6.900 ( -1.224 4.637 3.340) 5.844 6.984 ( -2.281 -0.105 -1.446) 2.703 7.057 ( -0.249 -3.951 -2.189) 4.523 7.320 ( 0.811 12.317 5.527) 13.525 7.664 ( -8.677 -2.036 5.206) 10.322 7.972 ( 1.119 4.123 -0.370) 4.288 8.098 ( 0.961 -1.082 0.048) 1.448 8.115 ( -4.662 -1.011 1.212) 4.921 8.335 ( 5.818 -6.449 -3.777) 9.471 8.448 ( 4.043 -7.328 5.435) 9.979 8.503 ( 0.960 -6.403 2.562) 6.963 8.637 ( 0.412 -0.950 1.666) 1.962 8.686 ( -0.292 -2.420 2.060) 3.191 11.021 ( 2.215 4.945 -0.338) 5.428 11.100 ( 3.107 2.235 0.539) 3.865 11.302 ( -1.252 2.070 -2.337) 3.363 11.312 ( 0.299 -0.250 -0.588) 0.706 11.456 ( -0.540 -1.982 -0.796) 2.203 11.509 ( 0.780 -1.043 -0.539) 1.409 11.555 ( -0.815 0.095 1.234) 1.482 11.571 ( -1.912 2.133 -0.213) 2.873 11.652 ( 0.956 0.282 0.165) 1.010 11.784 ( 1.865 -2.237 -1.557) 3.302 11.925 ( -4.265 2.509 -1.086) 5.066 11.960 ( -2.292 1.002 -1.412) 2.873 16.494 ( -1.158 1.018 0.341) 1.579 16.549 ( -0.218 -1.289 0.465) 1.388 16.580 ( -0.796 1.023 -0.777) 1.511 16.617 ( -0.219 -0.370 -0.513) 0.670 23.028 ( 5.394 0.693 0.285) 5.446 23.190 ( 2.889 -5.492 -1.262) 6.332 23.544 ( 12.779 3.846 2.830) 13.642 23.740 ( 11.416 -4.048 4.051) 12.772 24.604 ( -3.181 5.774 -1.206) 6.702 24.839 ( -2.425 -0.706 2.576) 3.608 25.062 ( 2.615 1.309 -1.073) 3.115 25.167 ( 1.512 -1.553 4.853) 5.315 25.611 ( 1.432 6.963 -5.245) 8.834 25.906 ( -3.333 -4.646 7.053) 9.080 26.828 ( -14.486 2.780 -4.381) 15.387 27.050 ( -12.556 -7.604 -5.243) 15.587 ======================= Grid point 245 (120/128) ======================= q-point: ( 0.30 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 10.952 7.234 -3.302) 13.535 1.994 ( 12.364 3.099 -5.212) 13.771 2.238 ( 2.957 4.427 6.365) 8.298 2.428 ( 0.555 5.121 11.222) 12.347 2.589 ( 4.193 -3.861 3.284) 6.578 2.738 ( 3.993 -5.922 3.644) 8.019 2.810 ( 0.377 1.713 -1.716) 2.454 2.870 ( -2.981 -0.499 1.382) 3.323 3.008 ( 2.424 3.186 0.143) 4.006 3.255 ( 2.771 -6.688 -3.183) 7.908 3.273 ( 5.092 10.890 -0.318) 12.026 3.394 ( 5.554 -4.958 2.746) 7.935 3.476 ( 6.194 -8.943 4.601) 11.812 3.634 ( -0.731 -1.159 8.191) 8.305 3.717 ( 8.731 0.693 -2.375) 9.074 3.847 ( -1.686 -1.493 2.288) 3.210 3.931 ( 5.625 0.809 -3.909) 6.898 4.023 ( 4.642 3.005 -0.397) 5.544 4.120 ( -7.034 1.565 -1.152) 7.298 4.220 ( 1.215 3.955 -0.651) 4.189 4.311 ( -0.973 2.212 1.287) 2.738 4.403 ( -0.411 -2.817 -2.824) 4.010 4.529 ( -2.795 1.838 -4.231) 5.394 4.656 ( -2.554 0.825 -0.280) 2.699 4.750 ( -1.156 -3.614 -6.315) 7.368 4.787 ( 1.605 -2.280 -2.134) 3.511 4.946 ( 3.352 1.613 2.148) 4.295 5.082 ( -1.547 -1.401 -0.636) 2.182 5.148 ( 1.958 -2.327 5.630) 6.399 5.291 ( 1.594 -5.837 -0.604) 6.081 5.380 ( 4.649 -7.267 -10.547) 13.625 5.439 ( -3.927 -7.657 -0.768) 8.639 5.755 ( -0.605 3.883 2.787) 4.818 5.884 ( 0.100 -1.989 -4.057) 4.519 5.994 ( -3.244 2.696 -1.167) 4.376 6.033 ( -0.591 3.064 -0.848) 3.233 6.125 ( -2.089 3.418 -0.544) 4.042 6.246 ( 1.298 0.090 -0.259) 1.327 6.318 ( 0.460 4.711 -0.656) 4.779 6.399 ( 1.375 1.596 -1.553) 2.617 6.513 ( -4.215 1.428 -0.124) 4.452 6.579 ( -6.119 -1.122 -1.473) 6.393 6.779 ( 1.695 2.104 -1.055) 2.900 6.871 ( -1.517 4.016 -2.097) 4.778 6.977 ( -1.253 0.970 3.612) 3.945 7.046 ( -1.141 -4.240 3.133) 5.394 7.328 ( -4.641 11.725 4.170) 13.282 7.577 ( -7.361 0.258 5.870) 9.418 7.993 ( 0.750 3.589 1.987) 4.171 8.073 ( -1.409 -1.407 2.432) 3.143 8.131 ( 2.843 0.707 -0.546) 2.980 8.344 ( 0.105 -1.816 -2.203) 2.857 8.466 ( -2.199 -2.954 0.160) 3.686 8.577 ( 1.323 -14.415 -0.138) 14.476 8.643 ( -0.806 -0.679 0.508) 1.170 8.690 ( -0.162 -2.522 -0.690) 2.619 11.055 ( 1.357 5.252 0.225) 5.429 11.152 ( 1.587 3.546 -0.027) 3.885 11.251 ( -1.087 0.652 -1.872) 2.260 11.311 ( 0.002 -1.568 -0.588) 1.674 11.431 ( -0.357 -0.252 -1.764) 1.817 11.498 ( 0.549 -0.658 -2.478) 2.622 11.547 ( -0.834 2.183 0.452) 2.380 11.579 ( 0.053 1.361 2.870) 3.177 11.675 ( 0.916 -0.473 0.940) 1.395 11.770 ( -0.387 -1.827 -2.370) 3.018 11.868 ( -1.149 2.144 0.444) 2.472 11.932 ( -0.158 -0.364 -1.359) 1.416 16.482 ( -0.768 1.191 0.742) 1.600 16.542 ( -0.787 -0.914 -0.653) 1.372 16.566 ( -0.160 0.479 0.222) 0.552 16.606 ( -0.293 -0.648 -0.670) 0.977 23.152 ( 6.136 -3.062 2.114) 7.176 23.253 ( 3.898 -6.152 0.351) 7.291 23.786 ( 9.954 1.682 3.808) 10.789 23.963 ( 8.936 -5.189 2.443) 10.618 24.550 ( -1.843 5.692 0.316) 5.991 24.787 ( -3.853 -2.915 -0.230) 4.837 25.159 ( 6.067 5.408 4.762) 9.420 25.282 ( 5.203 -0.851 6.693) 8.521 25.610 ( 2.936 6.809 -3.494) 8.197 25.882 ( -5.760 -3.853 5.290) 8.719 26.497 ( -16.255 3.452 -5.937) 17.646 26.712 ( -14.656 -6.388 -12.330) 20.190 ======================= Grid point 246 (121/128) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 12.274 2.550 -3.825) 13.107 2.157 ( 3.152 -4.378 3.136) 6.240 2.367 ( 7.799 11.762 4.382) 14.778 2.524 ( 0.047 5.963 7.973) 9.956 2.655 ( 0.587 -0.012 2.176) 2.254 2.779 ( -1.309 2.035 -4.644) 5.237 2.835 ( -3.251 0.110 4.619) 5.649 2.840 ( 3.865 -2.915 -0.947) 4.933 3.023 ( 1.686 6.102 -3.768) 7.367 3.161 ( -8.702 -0.536 3.934) 9.565 3.350 ( 3.896 -4.592 0.267) 6.028 3.509 ( -0.259 -2.143 1.464) 2.608 3.623 ( 6.267 -3.643 1.277) 7.361 3.748 ( 4.532 -5.267 6.323) 9.395 3.784 ( -0.510 1.392 0.310) 1.515 3.866 ( 3.866 -1.258 1.057) 4.201 3.916 ( -1.093 -3.018 1.037) 3.373 3.973 ( -6.549 3.269 -1.338) 7.441 4.135 ( 5.182 2.718 -2.834) 6.501 4.234 ( 1.051 4.463 -0.580) 4.622 4.299 ( -1.649 -0.468 -4.274) 4.605 4.387 ( 1.878 -1.715 -0.161) 2.549 4.435 ( -1.981 -3.057 -1.313) 3.872 4.589 ( -6.440 -10.240 -4.696) 12.976 4.709 ( 6.329 2.556 -1.920) 7.090 4.824 ( 2.686 -3.548 -2.865) 5.293 5.038 ( 4.584 2.530 -0.852) 5.305 5.063 ( 1.293 -0.935 -0.547) 1.687 5.172 ( -2.694 0.992 2.552) 3.841 5.232 ( -3.644 -2.376 -4.957) 6.596 5.411 ( 4.517 -5.061 0.876) 6.840 5.488 ( 5.149 -6.766 -1.217) 8.589 5.781 ( -0.673 3.960 4.275) 5.866 5.859 ( 1.294 2.593 -5.236) 5.985 5.948 ( -0.056 -0.846 -0.325) 0.908 6.022 ( -0.463 2.163 -1.488) 2.666 6.096 ( 1.162 5.260 -1.974) 5.737 6.263 ( -7.727 4.447 3.266) 9.495 6.296 ( 3.702 -0.004 -1.082) 3.857 6.406 ( 0.841 3.120 1.065) 3.402 6.469 ( -2.237 -2.036 0.832) 3.137 6.488 ( -1.420 -1.954 -1.428) 2.806 6.752 ( -1.373 0.738 -0.815) 1.758 6.841 ( 0.496 -0.434 -4.975) 5.018 6.992 ( -1.806 2.689 6.139) 6.941 7.064 ( -2.774 0.166 5.747) 6.384 7.283 ( -0.787 7.971 0.458) 8.023 7.484 ( -8.510 0.413 3.323) 9.145 8.055 ( 1.761 2.079 6.090) 6.672 8.116 ( 2.083 -1.975 4.289) 5.161 8.172 ( 3.445 3.021 -3.235) 5.609 8.311 ( -2.279 -0.624 -0.850) 2.512 8.411 ( -2.672 -2.736 -1.101) 3.980 8.508 ( -3.421 -8.337 -6.885) 11.340 8.647 ( -0.128 -3.478 1.187) 3.677 8.670 ( -0.229 -2.529 -1.817) 3.123 11.074 ( 0.454 4.936 0.637) 4.998 11.133 ( -1.057 4.788 -2.757) 5.625 11.251 ( 0.121 -2.184 1.813) 2.841 11.296 ( -0.543 -2.345 -1.395) 2.782 11.430 ( 2.187 1.690 -1.059) 2.960 11.495 ( 0.354 -0.349 -0.679) 0.842 11.542 ( 0.135 3.088 -0.089) 3.092 11.585 ( -1.609 2.712 0.763) 3.244 11.705 ( 1.177 -1.353 2.148) 2.798 11.764 ( 0.721 -2.405 -0.697) 2.605 11.865 ( -0.251 1.173 1.102) 1.629 11.913 ( -0.160 -0.648 -2.202) 2.301 16.482 ( -0.237 1.210 1.088) 1.644 16.516 ( -0.747 0.413 -1.276) 1.535 16.573 ( 0.131 -0.745 0.795) 1.098 16.594 ( -0.207 -0.911 -0.751) 1.198 23.266 ( 4.083 -5.485 1.784) 7.067 23.315 ( 2.072 -6.720 0.478) 7.048 23.963 ( 5.436 -1.604 4.045) 6.963 24.077 ( 2.853 -6.561 -1.138) 7.244 24.562 ( 1.338 6.403 3.071) 7.226 24.714 ( -3.109 0.258 -1.837) 3.620 25.352 ( 7.929 6.460 7.312) 12.573 25.482 ( 8.919 0.263 6.714) 11.166 25.642 ( 3.699 4.615 -2.713) 6.507 25.828 ( -6.003 -2.903 8.312) 10.656 26.149 ( -14.966 2.891 -6.569) 16.598 26.317 ( -12.405 -4.890 -17.039) 21.636 ======================= Grid point 247 (122/128) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 8.296 -2.232 -4.335) 9.623 2.135 ( -8.296 -2.232 4.335) 9.623 2.553 ( 0.162 8.839 -2.441) 9.171 2.553 ( -0.162 8.839 2.441) 9.171 2.678 ( -0.379 3.904 -7.065) 8.081 2.678 ( 0.379 3.905 7.065) 8.081 2.845 ( 0.789 -1.563 -5.281) 5.564 2.845 ( -0.789 -1.563 5.281) 5.564 3.053 ( 6.062 3.456 -10.664) 12.745 3.053 ( -6.062 3.456 10.664) 12.745 3.442 ( -4.517 -6.310 -1.717) 7.947 3.442 ( 4.517 -6.310 1.717) 7.947 3.730 ( 0.237 -1.333 -2.835) 3.142 3.730 ( -0.237 -1.333 2.835) 3.142 3.865 ( -2.114 1.229 -1.925) 3.112 3.865 ( 2.114 1.229 1.925) 3.112 3.938 ( 1.299 -1.848 -4.497) 5.032 3.938 ( -1.299 -1.848 4.497) 5.032 4.160 ( -2.563 1.560 -2.073) 3.647 4.160 ( 2.563 1.560 2.073) 3.647 4.355 ( -3.916 -0.764 -2.728) 4.834 4.355 ( 3.916 -0.764 2.728) 4.834 4.458 ( -0.644 -8.150 -4.174) 9.179 4.458 ( 0.644 -8.150 4.174) 9.179 4.804 ( -1.953 -1.423 -0.250) 2.429 4.804 ( 1.953 -1.423 0.250) 2.429 5.085 ( 0.219 0.357 -3.079) 3.107 5.085 ( -0.219 0.357 3.079) 3.107 5.153 ( 0.247 -0.005 -1.290) 1.313 5.153 ( -0.247 -0.005 1.290) 1.313 5.499 ( -1.422 -3.439 -2.615) 4.548 5.499 ( 1.422 -3.439 2.615) 4.548 5.821 ( 0.979 4.378 -5.916) 7.424 5.821 ( -0.979 4.378 5.916) 7.424 5.975 ( 1.145 -0.124 -4.130) 4.288 5.975 ( -1.145 -0.124 4.130) 4.288 6.146 ( 6.786 6.001 -3.361) 9.662 6.146 ( -6.786 6.001 3.361) 9.662 6.373 ( 3.778 -1.890 -4.463) 6.146 6.373 ( -3.778 -1.890 4.463) 6.146 6.471 ( -0.566 0.302 -1.463) 1.598 6.471 ( 0.566 0.302 1.463) 1.598 6.775 ( -2.205 -2.240 -2.244) 3.862 6.775 ( 2.205 -2.240 2.244) 3.862 7.035 ( -0.467 4.972 -3.313) 5.993 7.035 ( 0.467 4.972 3.313) 5.993 7.350 ( -6.786 1.316 -0.116) 6.913 7.350 ( 6.786 1.316 0.116) 6.913 8.145 ( -0.220 1.129 -5.421) 5.542 8.145 ( 0.220 1.129 5.421) 5.542 8.232 ( -4.980 0.368 -0.893) 5.073 8.232 ( 4.980 0.368 0.893) 5.073 8.399 ( 0.426 -4.606 -5.136) 6.912 8.399 ( -0.426 -4.606 5.136) 6.912 8.655 ( 1.083 -2.873 -2.591) 4.017 8.655 ( -1.083 -2.873 2.591) 4.017 11.094 ( -0.437 4.712 -1.962) 5.122 11.094 ( 0.437 4.712 1.962) 5.122 11.272 ( -0.281 -2.794 -1.791) 3.331 11.272 ( 0.281 -2.794 1.791) 3.331 11.474 ( -2.160 1.508 -0.366) 2.659 11.474 ( 2.160 1.508 0.366) 2.659 11.555 ( 0.853 2.968 -1.914) 3.633 11.555 ( -0.853 2.968 1.914) 3.633 11.750 ( -0.715 -2.210 -2.405) 3.343 11.750 ( 0.715 -2.210 2.405) 3.343 11.884 ( -0.274 0.072 -2.568) 2.584 11.884 ( 0.274 0.072 2.568) 2.584 16.494 ( -0.288 0.973 -1.308) 1.655 16.494 ( 0.288 0.973 1.308) 1.655 16.583 ( -0.145 -1.006 -0.834) 1.314 16.583 ( 0.145 -1.006 0.834) 1.314 23.325 ( -0.575 -6.615 -0.940) 6.706 23.325 ( 0.575 -6.615 0.940) 6.706 24.061 ( -1.435 -4.940 -3.470) 6.205 24.061 ( 1.435 -4.940 3.470) 6.205 24.637 ( -2.692 4.296 -3.481) 6.149 24.637 ( 2.692 4.296 3.481) 6.149 25.539 ( -4.121 5.911 -5.638) 9.149 25.539 ( 4.121 5.911 5.638) 9.149 25.788 ( -7.415 0.323 -4.401) 8.629 25.788 ( 7.415 0.323 4.401) 8.629 25.989 ( -3.036 -2.938 -14.287) 14.899 25.989 ( 3.036 -2.938 14.287) 14.899 ======================= Grid point 253 (123/128) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -0.000 0.000 0.000) 0.000 1.918 ( -0.000 0.000 0.000) 0.000 2.193 ( -0.000 0.000 -0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.264 ( 0.000 -0.000 0.000) 0.000 2.264 ( -0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.136 ( -0.000 0.000 0.000) 0.000 3.421 ( -0.000 0.000 -0.000) 0.000 3.421 ( -0.000 0.000 0.000) 0.000 3.643 ( -0.000 0.000 0.000) 0.000 3.643 ( -0.000 0.000 0.000) 0.000 3.909 ( 0.000 -0.000 0.000) 0.000 3.909 ( 0.000 0.000 -0.000) 0.000 4.046 ( -0.000 0.000 0.000) 0.000 4.046 ( -0.000 0.000 0.000) 0.000 4.523 ( -0.000 0.000 -0.000) 0.000 4.523 ( -0.000 0.000 0.000) 0.000 4.676 ( -0.000 0.000 0.000) 0.000 4.676 ( -0.000 0.000 0.000) 0.000 4.881 ( -0.000 -0.000 0.000) 0.000 4.881 ( 0.000 0.000 0.000) 0.000 5.018 ( -0.000 0.000 0.000) 0.000 5.018 ( -0.000 0.000 0.000) 0.000 5.323 ( -0.000 -0.000 0.000) 0.000 5.323 ( 0.000 0.000 0.000) 0.000 5.517 ( -0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.918 ( -0.000 0.000 -0.000) 0.000 5.918 ( 0.000 0.000 0.000) 0.000 5.984 ( -0.000 0.000 -0.000) 0.000 5.984 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 6.281 ( -0.000 0.000 0.000) 0.000 6.429 ( 0.000 0.000 0.000) 0.000 6.429 ( -0.000 0.000 0.000) 0.000 6.780 ( -0.000 0.000 0.000) 0.000 6.780 ( -0.000 0.000 0.000) 0.000 6.954 ( -0.000 0.000 0.000) 0.000 6.954 ( -0.000 0.000 0.000) 0.000 7.188 ( -0.000 0.000 -0.000) 0.000 7.188 ( 0.000 0.000 0.000) 0.000 7.294 ( -0.000 -0.000 0.000) 0.000 7.294 ( 0.000 0.000 0.000) 0.000 8.002 ( -0.000 0.000 0.000) 0.000 8.002 ( 0.000 0.000 0.000) 0.000 8.203 ( -0.000 0.000 -0.000) 0.000 8.203 ( -0.000 0.000 0.000) 0.000 8.311 ( 0.000 0.000 0.000) 0.000 8.311 ( -0.000 0.000 0.000) 0.000 8.622 ( -0.000 0.000 0.000) 0.000 8.622 ( -0.000 0.000 0.000) 0.000 11.039 ( -0.000 0.000 0.000) 0.000 11.039 ( -0.000 0.000 0.000) 0.000 11.377 ( 0.000 0.000 0.000) 0.000 11.377 ( -0.000 0.000 0.000) 0.000 11.399 ( -0.000 -0.000 0.000) 0.000 11.399 ( -0.000 0.000 0.000) 0.000 11.608 ( 0.000 0.000 0.000) 0.000 11.608 ( -0.000 0.000 0.000) 0.000 11.682 ( 0.000 0.000 0.000) 0.000 11.682 ( -0.000 0.000 0.000) 0.000 12.086 ( -0.000 0.000 0.000) 0.000 12.086 ( -0.000 0.000 0.000) 0.000 16.538 ( 0.000 0.000 0.000) 0.000 16.538 ( -0.000 0.000 0.000) 0.000 16.616 ( 0.000 0.000 0.000) 0.000 16.616 ( -0.000 0.000 0.000) 0.000 23.187 ( -0.000 -0.000 -0.000) 0.000 23.187 ( -0.000 0.000 -0.000) 0.000 23.203 ( -0.000 -0.000 0.000) 0.000 23.203 ( 0.000 0.000 0.000) 0.000 24.860 ( -0.000 0.000 0.000) 0.000 24.860 ( -0.000 0.000 0.000) 0.000 25.029 ( 0.000 0.000 -0.000) 0.000 25.029 ( 0.000 0.000 0.000) 0.000 25.760 ( 0.000 0.000 0.000) 0.000 25.760 ( -0.000 0.000 0.000) 0.000 27.206 ( 0.000 0.000 0.000) 0.000 27.206 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 257 (124/128) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -0.616 -5.478 -6.336) 8.398 1.849 ( -0.616 5.478 -6.336) 8.398 2.227 ( 5.593 -15.079 -5.188) 16.899 2.227 ( 5.593 15.079 -5.188) 16.899 2.310 ( 3.278 -7.799 5.564) 10.126 2.310 ( 3.278 7.799 5.564) 10.126 2.612 ( 7.925 -7.835 13.346) 17.387 2.612 ( 7.925 7.835 13.346) 17.387 2.902 ( 0.690 -1.997 -2.019) 2.923 2.902 ( 0.690 1.997 -2.019) 2.923 3.180 ( 3.655 -3.530 0.546) 5.111 3.180 ( 3.655 3.530 0.546) 5.111 3.425 ( 3.271 -5.773 -4.135) 7.818 3.425 ( 3.271 5.773 -4.135) 7.818 3.720 ( 3.695 -0.688 6.269) 7.309 3.720 ( 3.695 0.688 6.269) 7.309 3.856 ( -4.370 -4.632 1.554) 6.554 3.856 ( -4.370 4.632 1.554) 6.554 4.093 ( 6.339 -5.543 -3.095) 8.972 4.093 ( 6.339 5.543 -3.095) 8.972 4.501 ( -1.554 -5.894 -3.224) 6.896 4.501 ( -1.554 5.894 -3.224) 6.896 4.670 ( -1.928 -6.284 3.315) 7.362 4.670 ( -1.928 6.284 3.315) 7.362 4.860 ( -0.675 -0.828 -2.068) 2.328 4.860 ( -0.675 0.828 -2.068) 2.328 4.988 ( -2.800 -1.816 -1.520) 3.667 4.988 ( -2.800 1.816 -1.520) 3.667 5.236 ( -5.713 -3.901 -1.993) 7.199 5.236 ( -5.713 3.901 -1.993) 7.199 5.534 ( 0.012 -3.562 -0.856) 3.664 5.534 ( 0.012 3.562 -0.856) 3.664 5.882 ( -0.130 -0.234 -3.339) 3.350 5.882 ( -0.130 0.234 -3.339) 3.350 6.061 ( 2.713 -1.592 4.042) 5.122 6.061 ( 2.713 1.592 4.042) 5.122 6.246 ( -3.285 -3.707 1.325) 5.127 6.246 ( -3.285 3.707 1.325) 5.127 6.424 ( -1.255 -0.108 -0.941) 1.572 6.424 ( -1.255 0.108 -0.941) 1.572 6.709 ( -2.894 -4.445 -4.410) 6.898 6.709 ( -2.894 4.445 -4.410) 6.898 6.948 ( -1.262 -3.725 -1.420) 4.181 6.948 ( -1.262 3.725 -1.420) 4.181 7.041 ( -4.053 -7.331 -3.143) 8.947 7.041 ( -4.053 7.331 -3.143) 8.947 7.479 ( 4.983 -14.984 7.704) 17.570 7.479 ( 4.983 14.984 7.704) 17.570 8.007 ( 2.456 -1.732 -1.187) 3.231 8.007 ( 2.456 1.732 -1.187) 3.231 8.177 ( -2.735 -0.945 0.608) 2.957 8.177 ( -2.735 0.945 0.608) 2.957 8.355 ( 2.501 -2.748 2.417) 4.432 8.355 ( 2.501 2.748 2.417) 4.432 8.628 ( -0.089 -1.362 1.616) 2.116 8.628 ( -0.089 1.362 1.616) 2.116 11.056 ( 1.897 -1.261 0.057) 2.278 11.056 ( 1.897 1.261 0.057) 2.278 11.352 ( -1.089 -2.507 -1.408) 3.075 11.352 ( -1.089 2.507 -1.408) 3.075 11.429 ( 2.033 -2.914 0.210) 3.559 11.429 ( 2.033 2.914 0.210) 3.559 11.588 ( -2.313 -1.476 1.464) 3.110 11.588 ( -2.313 1.476 1.464) 3.110 11.702 ( 2.287 -2.717 -1.521) 3.863 11.702 ( 2.287 2.717 -1.521) 3.863 12.044 ( -3.455 -1.207 -1.449) 3.936 12.044 ( -3.455 1.207 -1.449) 3.936 16.532 ( -0.695 -0.854 0.134) 1.110 16.532 ( -0.695 0.854 0.134) 1.110 16.613 ( -0.187 -0.584 -0.318) 0.691 16.613 ( -0.187 0.584 -0.318) 0.691 23.084 ( -1.400 -5.257 -2.934) 6.181 23.084 ( -1.400 5.257 -2.934) 6.181 23.397 ( 10.847 -5.280 3.722) 12.626 23.397 ( 10.847 5.280 3.722) 12.626 24.822 ( -3.207 -5.331 -0.875) 6.282 24.822 ( -3.207 5.331 -0.875) 6.282 25.053 ( 1.390 -2.848 1.920) 3.705 25.053 ( 1.390 2.848 1.920) 3.705 25.766 ( 0.135 -5.214 0.739) 5.268 25.766 ( 0.135 5.214 0.739) 5.268 27.130 ( -7.428 -3.600 -1.673) 8.422 27.130 ( -7.428 3.600 -1.673) 8.422 ======================= Grid point 259 (125/128) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 4.785 -6.491 -2.531) 8.452 1.843 ( 4.785 6.491 -2.531) 8.452 2.299 ( 6.027 -11.966 -0.861) 13.426 2.299 ( 6.027 11.966 -0.861) 13.426 2.450 ( 4.717 -7.462 6.067) 10.711 2.450 ( 4.717 7.462 6.067) 10.711 2.857 ( -0.956 -5.828 7.658) 9.670 2.857 ( -0.956 5.828 7.658) 9.670 2.928 ( 10.052 -2.337 2.376) 10.590 2.928 ( 10.052 2.337 2.376) 10.590 3.239 ( 3.254 -3.280 -1.241) 4.784 3.239 ( 3.254 3.280 -1.241) 4.784 3.470 ( 4.226 -7.665 -1.152) 8.828 3.470 ( 4.226 7.665 -1.152) 8.828 3.760 ( -3.237 -5.421 3.483) 7.210 3.760 ( -3.237 5.421 3.483) 7.210 3.909 ( 6.443 -3.829 1.495) 7.643 3.909 ( 6.443 3.829 1.495) 7.643 4.213 ( 8.618 -4.925 -1.776) 10.083 4.213 ( 8.618 4.925 -1.776) 10.083 4.395 ( -5.079 -3.822 -4.940) 8.051 4.395 ( -5.079 3.822 -4.940) 8.051 4.668 ( -1.970 -5.975 1.261) 6.417 4.668 ( -1.970 5.975 1.261) 6.417 4.829 ( 0.065 -2.977 -4.869) 5.708 4.829 ( 0.065 2.977 -4.869) 5.708 4.918 ( -1.074 -3.837 0.749) 4.055 4.918 ( -1.074 3.837 0.749) 4.055 5.146 ( -3.242 -3.922 1.539) 5.317 5.146 ( -3.242 3.922 1.539) 5.317 5.464 ( -3.677 -2.589 -6.243) 7.694 5.464 ( -3.677 2.589 -6.243) 7.694 5.849 ( -1.111 -3.534 -1.300) 3.926 5.849 ( -1.111 3.534 -1.300) 3.926 6.090 ( -1.661 -0.749 0.241) 1.838 6.090 ( -1.661 0.749 0.241) 1.838 6.221 ( -2.109 -3.740 2.209) 4.829 6.221 ( -2.109 3.740 2.209) 4.829 6.380 ( 0.625 -1.047 -3.117) 3.347 6.380 ( 0.625 1.047 -3.117) 3.347 6.646 ( -1.678 -4.175 -2.657) 5.225 6.646 ( -1.678 4.175 -2.657) 5.225 6.881 ( -2.291 -6.356 -1.497) 6.920 6.881 ( -2.291 6.356 -1.497) 6.920 7.004 ( -1.398 -3.997 1.523) 4.500 7.004 ( -1.398 3.997 1.523) 4.500 7.555 ( -3.141 -8.757 6.580) 11.395 7.555 ( -3.141 8.757 6.580) 11.395 8.060 ( 2.102 -2.943 -2.235) 4.252 8.060 ( 2.102 2.943 -2.235) 4.252 8.152 ( 0.849 -6.527 2.250) 6.956 8.152 ( 0.849 6.527 2.250) 6.956 8.412 ( 0.744 -2.566 2.306) 3.529 8.412 ( 0.744 2.566 2.306) 3.529 8.647 ( 0.221 -1.524 1.414) 2.090 8.647 ( 0.221 1.524 1.414) 2.090 11.105 ( 2.721 -2.265 0.904) 3.655 11.105 ( 2.721 2.265 0.904) 3.655 11.315 ( -1.253 -1.209 -1.829) 2.525 11.315 ( -1.253 1.209 -1.829) 2.525 11.457 ( 1.348 -2.470 -1.476) 3.177 11.457 ( 1.348 2.470 -1.476) 3.177 11.571 ( -1.257 -1.052 2.302) 2.826 11.571 ( -1.257 1.052 2.302) 2.826 11.717 ( 1.390 -4.039 -2.455) 4.927 11.717 ( 1.390 4.039 -2.455) 4.927 11.961 ( -3.397 -0.891 -1.347) 3.761 11.961 ( -3.397 0.891 -1.347) 3.761 16.520 ( -0.803 -1.399 0.317) 1.644 16.520 ( -0.803 1.399 0.317) 1.644 16.602 ( -0.474 -0.941 -0.583) 1.204 16.602 ( -0.474 0.941 -0.583) 1.204 23.083 ( 2.965 -4.283 -0.788) 5.268 23.083 ( 2.965 4.283 -0.788) 5.268 23.637 ( 11.420 -5.077 3.288) 12.923 23.637 ( 11.420 5.077 3.288) 12.923 24.748 ( -3.887 -6.814 -0.385) 7.854 24.748 ( -3.887 6.814 -0.385) 7.854 25.116 ( 2.793 -3.025 3.942) 5.700 25.116 ( 2.793 3.025 3.942) 5.700 25.773 ( -0.232 -7.735 0.536) 7.757 25.773 ( -0.232 7.735 0.536) 7.757 26.912 ( -12.920 -5.380 -4.896) 14.827 26.912 ( -12.920 5.380 -4.896) 14.827 ======================= Grid point 261 (126/128) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 6.632 -5.910 -0.031) 8.884 1.943 ( 6.632 5.910 -0.031) 8.884 2.429 ( 6.984 -10.295 3.031) 12.804 2.429 ( 6.984 10.295 3.031) 12.804 2.580 ( 3.567 -7.683 5.866) 10.303 2.580 ( 3.567 7.683 5.866) 10.303 2.849 ( -3.168 -1.422 4.199) 5.449 2.849 ( -3.168 1.422 4.199) 5.449 3.112 ( 4.444 -6.451 -1.816) 8.042 3.112 ( 4.444 6.451 -1.816) 8.042 3.322 ( 5.239 -0.822 3.468) 6.337 3.322 ( 5.239 0.822 3.468) 6.337 3.539 ( 3.638 -10.219 2.313) 11.091 3.539 ( 3.638 10.219 2.313) 11.091 3.752 ( -1.606 -5.275 3.748) 6.667 3.752 ( -1.606 5.275 3.748) 6.667 4.007 ( 2.977 -4.039 -1.286) 5.179 4.007 ( 2.977 4.039 -1.286) 5.179 4.260 ( -0.679 -6.879 -5.721) 8.973 4.260 ( -0.679 6.879 -5.721) 8.973 4.313 ( 2.606 -0.891 -2.191) 3.519 4.313 ( 2.606 0.891 -2.191) 3.519 4.591 ( -6.167 -3.995 -2.165) 7.660 4.591 ( -6.167 3.995 -2.165) 7.660 4.757 ( 0.690 -2.324 -6.836) 7.254 4.757 ( 0.690 2.324 -6.836) 7.254 5.009 ( 5.039 -5.053 1.267) 7.248 5.009 ( 5.039 5.053 1.267) 7.248 5.180 ( 5.416 -4.535 4.417) 8.332 5.180 ( 5.416 4.535 4.417) 8.332 5.320 ( -4.277 -2.675 -6.330) 8.094 5.320 ( -4.277 2.675 -6.330) 8.094 5.825 ( -0.524 -3.132 0.073) 3.176 5.825 ( -0.524 3.132 0.073) 3.176 6.049 ( -1.517 -1.488 -1.646) 2.688 6.049 ( -1.517 1.488 -1.646) 2.688 6.199 ( -0.956 -3.600 0.007) 3.725 6.199 ( -0.956 3.600 0.007) 3.725 6.398 ( 3.283 -2.103 -2.219) 4.486 6.398 ( 3.283 2.103 -2.219) 4.486 6.550 ( -7.245 -1.771 0.105) 7.460 6.550 ( -7.245 1.771 0.105) 7.460 6.852 ( 0.049 -4.545 -3.287) 5.609 6.852 ( 0.049 4.545 -3.287) 5.609 7.000 ( -2.136 -2.609 5.516) 6.465 7.000 ( -2.136 2.609 5.516) 6.465 7.528 ( -6.599 -5.953 6.099) 10.778 7.528 ( -6.599 5.953 6.099) 10.778 8.042 ( -1.110 -1.441 1.595) 2.419 8.042 ( -1.110 1.441 1.595) 2.419 8.228 ( 4.576 -8.730 -0.995) 9.907 8.228 ( 4.576 8.730 -0.995) 9.907 8.421 ( -1.566 -1.574 0.960) 2.418 8.421 ( -1.566 1.574 0.960) 2.418 8.650 ( -0.197 -1.300 -1.041) 1.677 8.650 ( -0.197 1.300 -1.041) 1.677 11.157 ( 1.337 -3.612 1.451) 4.116 11.157 ( 1.337 3.612 1.451) 4.116 11.272 ( -1.258 -2.201 -2.339) 3.450 11.272 ( -1.258 2.201 -2.339) 3.450 11.454 ( 1.049 -2.327 -1.993) 3.238 11.454 ( 1.049 2.327 -1.993) 3.238 11.584 ( -0.312 -0.818 2.376) 2.532 11.584 ( -0.312 0.818 2.376) 2.532 11.711 ( 0.853 -3.250 -2.066) 3.945 11.711 ( 0.853 3.250 -2.066) 3.945 11.911 ( -1.291 -1.670 -0.615) 2.199 11.911 ( -1.291 1.670 -0.615) 2.199 16.511 ( -0.556 -1.575 0.444) 1.728 16.511 ( -0.556 1.575 0.444) 1.728 16.587 ( -0.508 -1.085 -0.637) 1.357 16.587 ( -0.508 1.085 -0.637) 1.357 23.153 ( 4.045 -2.860 0.816) 5.021 23.153 ( 4.045 2.860 0.816) 5.021 23.848 ( 8.302 -4.624 2.528) 9.833 23.848 ( 8.302 4.624 2.528) 9.833 24.690 ( -2.468 -6.317 0.831) 6.832 24.690 ( -2.468 6.317 0.831) 6.832 25.243 ( 5.892 -2.782 6.489) 9.196 25.243 ( 5.892 2.782 6.489) 9.196 25.764 ( -1.071 -7.171 0.121) 7.252 25.764 ( -1.071 7.171 0.121) 7.252 26.588 ( -15.084 -5.236 -8.922) 18.291 26.588 ( -15.084 5.236 -8.922) 18.291 ======================= Grid point 263 (127/128) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 5.219 -4.499 0.030) 6.890 2.054 ( 5.219 4.499 0.030) 6.890 2.580 ( 5.254 -6.399 4.034) 9.210 2.580 ( 5.254 6.399 4.034) 9.210 2.710 ( 4.660 -9.270 4.896) 11.472 2.710 ( 4.660 9.270 4.896) 11.472 2.824 ( -3.464 -1.505 1.732) 4.155 2.824 ( -3.464 1.505 1.732) 4.155 3.094 ( -3.333 -1.826 0.900) 3.906 3.094 ( -3.333 1.826 0.900) 3.906 3.382 ( 1.605 -5.900 -3.728) 7.161 3.382 ( 1.605 5.900 -3.728) 7.161 3.671 ( 3.803 -4.768 4.334) 7.482 3.671 ( 3.803 4.768 4.334) 7.482 3.788 ( 2.628 -2.769 4.985) 6.279 3.788 ( 2.628 2.769 4.985) 6.279 3.971 ( -3.261 -4.342 -2.025) 5.795 3.971 ( -3.261 4.342 -2.025) 5.795 4.242 ( 1.969 -6.063 -3.148) 7.110 4.242 ( 1.969 6.063 -3.148) 7.110 4.326 ( 0.783 -2.753 -2.155) 3.583 4.326 ( 0.783 2.753 -2.155) 3.583 4.427 ( -6.361 -4.425 -4.388) 8.905 4.427 ( -6.361 4.425 -4.388) 8.905 4.758 ( 3.764 -2.580 -2.874) 5.393 4.758 ( 3.764 2.580 -2.874) 5.393 5.065 ( 2.468 -0.760 -0.915) 2.740 5.065 ( 2.468 0.760 -0.915) 2.740 5.207 ( -3.155 -1.079 -2.702) 4.292 5.207 ( -3.155 1.079 -2.702) 4.292 5.370 ( 8.525 -2.910 1.759) 9.178 5.370 ( 8.525 2.910 1.759) 9.178 5.835 ( 0.573 -2.269 1.301) 2.678 5.835 ( 0.573 2.269 1.301) 2.678 6.010 ( -0.559 -3.314 -2.470) 4.171 6.010 ( -0.559 3.314 -2.470) 4.171 6.204 ( 2.566 -5.056 -1.447) 5.852 6.204 ( 2.566 5.056 -1.447) 5.852 6.395 ( -7.178 -4.664 1.535) 8.697 6.395 ( -7.178 4.664 1.535) 8.697 6.463 ( 1.823 -1.906 0.114) 2.640 6.463 ( 1.823 1.906 0.114) 2.640 6.791 ( -2.507 -3.083 -3.194) 5.098 6.791 ( -2.507 3.083 -3.194) 5.098 7.045 ( 0.231 -1.981 6.359) 6.665 7.045 ( 0.231 1.981 6.359) 6.665 7.439 ( -7.234 -5.214 2.276) 9.203 7.439 ( -7.234 5.214 2.276) 9.203 8.080 ( 1.563 -1.183 4.625) 5.023 8.080 ( 1.563 1.183 4.625) 5.023 8.277 ( 2.858 -5.839 -2.419) 6.937 8.277 ( 2.858 5.839 -2.419) 6.937 8.371 ( -3.437 -1.991 -1.720) 4.328 8.371 ( -3.437 1.991 -1.720) 4.328 8.630 ( -0.221 -1.021 -1.391) 1.739 8.630 ( -0.221 1.021 -1.391) 1.739 11.177 ( -0.254 -4.588 1.182) 4.744 11.177 ( -0.254 4.588 1.182) 4.744 11.228 ( -0.878 -4.078 -2.387) 4.806 11.228 ( -0.878 4.078 -2.387) 4.806 11.472 ( 1.932 -1.829 -0.547) 2.716 11.472 ( 1.932 1.829 -0.547) 2.716 11.596 ( -0.462 -1.686 1.481) 2.291 11.596 ( -0.462 1.686 1.481) 2.291 11.713 ( 0.776 -2.052 -0.773) 2.326 11.713 ( 0.776 2.052 -0.773) 2.326 11.892 ( -0.454 -1.321 -0.495) 1.482 11.892 ( -0.454 1.321 -0.495) 1.482 16.508 ( -0.272 -1.126 0.336) 1.206 16.508 ( -0.272 1.126 0.336) 1.206 16.574 ( -0.281 -0.807 -0.412) 0.948 16.574 ( -0.281 0.807 -0.412) 0.948 23.224 ( 2.553 -1.449 0.899) 3.070 23.224 ( 2.553 1.449 0.899) 3.070 23.971 ( 3.373 -2.827 1.145) 4.548 23.971 ( 3.373 2.827 1.145) 4.548 24.678 ( -0.308 -3.901 1.410) 4.160 24.678 ( -0.308 3.901 1.410) 4.160 25.451 ( 9.060 -3.012 7.538) 12.165 25.451 ( 9.060 3.012 7.538) 12.165 25.746 ( -1.371 -4.841 1.820) 5.351 25.746 ( -1.371 4.841 1.820) 5.351 26.221 ( -13.793 -4.091 -11.625) 18.497 26.221 ( -13.793 4.091 -11.625) 18.497 ======================= Grid point 265 (128/128) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 0.000 0.000 0.000) 0.000 2.107 ( 0.000 0.000 -0.000) 0.000 2.696 ( -0.000 0.000 -0.000) 0.000 2.696 ( 0.000 0.000 0.000) 0.000 2.718 ( -0.000 0.000 -0.000) 0.000 2.718 ( 0.000 -0.000 0.000) 0.000 2.819 ( 0.000 0.000 -0.000) 0.000 2.819 ( 0.000 0.000 -0.000) 0.000 3.065 ( 0.000 0.000 -0.000) 0.000 3.065 ( 0.000 0.000 0.000) 0.000 3.368 ( 0.000 0.000 -0.000) 0.000 3.368 ( 0.000 0.000 -0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 -0.000) 0.000 3.884 ( 0.000 0.000 -0.000) 0.000 3.884 ( 0.000 -0.000 0.000) 0.000 3.922 ( 0.000 0.000 -0.000) 0.000 3.922 ( 0.000 0.000 -0.000) 0.000 4.234 ( 0.000 -0.000 0.000) 0.000 4.234 ( 0.000 0.000 0.000) 0.000 4.282 ( -0.000 -0.000 -0.000) 0.000 4.282 ( 0.000 0.000 0.000) 0.000 4.374 ( 0.000 -0.000 0.000) 0.000 4.374 ( 0.000 0.000 -0.000) 0.000 4.786 ( 0.000 0.000 -0.000) 0.000 4.786 ( 0.000 0.000 0.000) 0.000 5.092 ( 0.000 0.000 -0.000) 0.000 5.092 ( -0.000 0.000 0.000) 0.000 5.157 ( 0.000 0.000 -0.000) 0.000 5.157 ( 0.000 0.000 -0.000) 0.000 5.460 ( 0.000 0.000 -0.000) 0.000 5.460 ( 0.000 0.000 0.000) 0.000 5.854 ( 0.000 0.000 -0.000) 0.000 5.854 ( 0.000 0.000 0.000) 0.000 5.988 ( 0.000 -0.000 -0.000) 0.000 5.988 ( 0.000 0.000 -0.000) 0.000 6.256 ( 0.000 -0.000 -0.000) 0.000 6.256 ( 0.000 0.000 -0.000) 0.000 6.289 ( -0.000 -0.000 0.000) 0.000 6.289 ( -0.000 0.000 0.000) 0.000 6.499 ( 0.000 0.000 -0.000) 0.000 6.499 ( 0.000 0.000 0.000) 0.000 6.742 ( 0.000 0.000 -0.000) 0.000 6.742 ( 0.000 0.000 -0.000) 0.000 7.093 ( 0.000 0.000 -0.000) 0.000 7.093 ( 0.000 0.000 0.000) 0.000 7.367 ( 0.000 0.000 -0.000) 0.000 7.367 ( 0.000 0.000 -0.000) 0.000 8.139 ( 0.000 0.000 0.000) 0.000 8.139 ( 0.000 0.000 0.000) 0.000 8.296 ( 0.000 0.000 -0.000) 0.000 8.296 ( -0.000 0.000 0.000) 0.000 8.302 ( 0.000 -0.000 -0.000) 0.000 8.302 ( -0.000 -0.000 0.000) 0.000 8.622 ( 0.000 0.000 -0.000) 0.000 8.622 ( 0.000 0.000 0.000) 0.000 11.180 ( -0.000 0.000 -0.000) 0.000 11.180 ( 0.000 0.000 -0.000) 0.000 11.205 ( 0.000 -0.000 -0.000) 0.000 11.205 ( 0.000 -0.000 0.000) 0.000 11.491 ( -0.000 0.000 -0.000) 0.000 11.491 ( 0.000 0.000 0.000) 0.000 11.598 ( 0.000 0.000 -0.000) 0.000 11.598 ( 0.000 0.000 -0.000) 0.000 11.718 ( 0.000 0.000 -0.000) 0.000 11.718 ( 0.000 -0.000 0.000) 0.000 11.885 ( 0.000 0.000 -0.000) 0.000 11.885 ( 0.000 0.000 -0.000) 0.000 16.507 ( 0.000 0.000 -0.000) 0.000 16.507 ( 0.000 0.000 -0.000) 0.000 16.570 ( 0.000 0.000 -0.000) 0.000 16.570 ( 0.000 0.000 -0.000) 0.000 23.252 ( 0.000 -0.000 0.000) 0.000 23.252 ( 0.000 0.000 -0.000) 0.000 24.004 ( 0.000 0.000 -0.000) 0.000 24.004 ( 0.000 0.000 -0.000) 0.000 24.686 ( 0.000 0.000 -0.000) 0.000 24.686 ( 0.000 0.000 0.000) 0.000 25.612 ( 0.000 0.000 -0.000) 0.000 25.612 ( 0.000 0.000 -0.000) 0.000 25.784 ( 0.000 0.000 0.000) 0.000 25.784 ( 0.000 0.000 0.000) 0.000 25.955 ( 0.000 0.000 -0.000) 0.000 25.955 ( 0.000 0.000 -0.000) 0.000 =================== 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 3/30240 10.0 2394.492 2602.758 2624.641 0.000 -139.939 0.000 3/30240 20.0 170.276 145.068 166.112 0.000 -25.152 0.000 3/30240 30.0 42.499 33.898 40.293 0.000 -6.308 0.000 3/30240 40.0 18.369 14.249 17.223 0.000 -2.594 0.000 3/30240 50.0 10.488 8.029 9.777 0.000 -1.404 0.000 3/30240 60.0 7.020 5.342 6.522 0.000 -0.897 0.000 3/30240 70.0 5.185 3.936 4.808 0.000 -0.638 0.000 3/30240 80.0 4.086 3.100 3.784 0.000 -0.488 0.000 3/30240 90.0 3.367 2.556 3.116 0.000 -0.392 0.000 3/30240 100.0 2.865 2.176 2.649 0.000 -0.327 0.000 3/30240 110.0 2.497 1.898 2.307 0.000 -0.281 0.000 3/30240 120.0 2.215 1.685 2.047 0.000 -0.245 0.000 3/30240 130.0 1.994 1.518 1.842 0.000 -0.218 0.000 3/30240 140.0 1.817 1.383 1.678 0.000 -0.196 0.000 3/30240 150.0 1.671 1.272 1.543 0.000 -0.179 0.000 3/30240 160.0 1.550 1.180 1.431 0.000 -0.164 0.000 3/30240 170.0 1.447 1.101 1.337 0.000 -0.151 0.000 3/30240 180.0 1.360 1.034 1.257 0.000 -0.141 0.000 3/30240 190.0 1.285 0.976 1.188 0.000 -0.131 0.000 3/30240 200.0 1.220 0.925 1.128 0.000 -0.123 0.000 3/30240 210.0 1.162 0.880 1.075 0.000 -0.116 0.000 3/30240 220.0 1.112 0.840 1.029 0.000 -0.109 0.000 3/30240 230.0 1.067 0.805 0.988 0.000 -0.103 0.000 3/30240 240.0 1.026 0.772 0.952 0.000 -0.098 0.000 3/30240 250.0 0.990 0.743 0.919 0.000 -0.093 0.000 3/30240 260.0 0.957 0.717 0.889 0.000 -0.089 0.000 3/30240 270.0 0.927 0.693 0.862 0.000 -0.085 0.000 3/30240 280.0 0.899 0.670 0.837 0.000 -0.081 0.000 3/30240 290.0 0.873 0.650 0.814 0.000 -0.078 0.000 3/30240 300.0 0.849 0.630 0.792 0.000 -0.075 0.000 3/30240 310.0 0.827 0.613 0.772 0.000 -0.072 0.000 3/30240 320.0 0.806 0.596 0.754 0.000 -0.069 0.000 3/30240 330.0 0.787 0.580 0.736 0.000 -0.067 0.000 3/30240 340.0 0.768 0.565 0.720 0.000 -0.065 0.000 3/30240 350.0 0.751 0.551 0.704 0.000 -0.063 0.000 3/30240 360.0 0.734 0.538 0.689 0.000 -0.060 0.000 3/30240 370.0 0.719 0.526 0.675 0.000 -0.059 0.000 3/30240 380.0 0.704 0.514 0.662 0.000 -0.057 0.000 3/30240 390.0 0.690 0.503 0.649 0.000 -0.055 0.000 3/30240 400.0 0.676 0.492 0.637 0.000 -0.054 0.000 3/30240 410.0 0.663 0.481 0.625 0.000 -0.052 0.000 3/30240 420.0 0.650 0.472 0.614 0.000 -0.051 0.000 3/30240 430.0 0.638 0.462 0.603 0.000 -0.049 0.000 3/30240 440.0 0.627 0.453 0.592 0.000 -0.048 0.000 3/30240 450.0 0.616 0.444 0.582 0.000 -0.047 0.000 3/30240 460.0 0.605 0.436 0.572 0.000 -0.046 0.000 3/30240 470.0 0.594 0.428 0.563 0.000 -0.045 0.000 3/30240 480.0 0.584 0.420 0.554 0.000 -0.044 0.000 3/30240 490.0 0.575 0.413 0.545 0.000 -0.043 0.000 3/30240 500.0 0.565 0.405 0.536 0.000 -0.042 0.000 3/30240 510.0 0.556 0.399 0.528 0.000 -0.041 0.000 3/30240 520.0 0.547 0.392 0.520 0.000 -0.040 0.000 3/30240 530.0 0.539 0.385 0.512 0.000 -0.039 0.000 3/30240 540.0 0.531 0.379 0.504 0.000 -0.038 0.000 3/30240 550.0 0.523 0.373 0.497 0.000 -0.037 0.000 3/30240 560.0 0.515 0.367 0.490 0.000 -0.037 0.000 3/30240 570.0 0.507 0.361 0.483 0.000 -0.036 0.000 3/30240 580.0 0.500 0.356 0.476 0.000 -0.035 0.000 3/30240 590.0 0.493 0.350 0.469 0.000 -0.035 0.000 3/30240 600.0 0.486 0.345 0.463 0.000 -0.034 0.000 3/30240 610.0 0.479 0.340 0.456 0.000 -0.033 0.000 3/30240 620.0 0.472 0.335 0.450 0.000 -0.033 0.000 3/30240 630.0 0.466 0.330 0.444 0.000 -0.032 0.000 3/30240 640.0 0.459 0.326 0.438 0.000 -0.032 0.000 3/30240 650.0 0.453 0.321 0.433 0.000 -0.031 0.000 3/30240 660.0 0.447 0.317 0.427 0.000 -0.031 0.000 3/30240 670.0 0.442 0.312 0.422 0.000 -0.030 0.000 3/30240 680.0 0.436 0.308 0.416 0.000 -0.030 0.000 3/30240 690.0 0.430 0.304 0.411 0.000 -0.029 0.000 3/30240 700.0 0.425 0.300 0.406 0.000 -0.029 0.000 3/30240 710.0 0.420 0.296 0.401 0.000 -0.028 0.000 3/30240 720.0 0.415 0.292 0.396 0.000 -0.028 0.000 3/30240 730.0 0.409 0.289 0.392 0.000 -0.028 0.000 3/30240 740.0 0.405 0.285 0.387 0.000 -0.027 0.000 3/30240 750.0 0.400 0.282 0.383 0.000 -0.027 0.000 3/30240 760.0 0.395 0.278 0.378 0.000 -0.026 0.000 3/30240 770.0 0.390 0.275 0.374 0.000 -0.026 0.000 3/30240 780.0 0.386 0.272 0.370 0.000 -0.026 0.000 3/30240 790.0 0.382 0.268 0.366 0.000 -0.025 0.000 3/30240 800.0 0.377 0.265 0.362 0.000 -0.025 0.000 3/30240 810.0 0.373 0.262 0.358 0.000 -0.025 0.000 3/30240 820.0 0.369 0.259 0.354 0.000 -0.024 0.000 3/30240 830.0 0.365 0.256 0.350 0.000 -0.024 0.000 3/30240 840.0 0.361 0.254 0.346 0.000 -0.024 0.000 3/30240 850.0 0.357 0.251 0.342 0.000 -0.023 0.000 3/30240 860.0 0.353 0.248 0.339 0.000 -0.023 0.000 3/30240 870.0 0.350 0.245 0.335 0.000 -0.023 0.000 3/30240 880.0 0.346 0.243 0.332 0.000 -0.023 0.000 3/30240 890.0 0.342 0.240 0.329 0.000 -0.022 0.000 3/30240 900.0 0.339 0.238 0.325 0.000 -0.022 0.000 3/30240 910.0 0.336 0.235 0.322 0.000 -0.022 0.000 3/30240 920.0 0.332 0.233 0.319 0.000 -0.022 0.000 3/30240 930.0 0.329 0.230 0.316 0.000 -0.021 0.000 3/30240 940.0 0.326 0.228 0.313 0.000 -0.021 0.000 3/30240 950.0 0.322 0.226 0.310 0.000 -0.021 0.000 3/30240 960.0 0.319 0.224 0.307 0.000 -0.021 0.000 3/30240 970.0 0.316 0.221 0.304 0.000 -0.020 0.000 3/30240 980.0 0.313 0.219 0.301 0.000 -0.020 0.000 3/30240 990.0 0.310 0.217 0.298 0.000 -0.020 0.000 3/30240 1000.0 0.307 0.215 0.295 0.000 -0.020 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m1066.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:59:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|