----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:27:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.219753320165662 0.000000000000000 0.000000000000000 b 0.000000000000000 10.441688090000000 0.000000000000000 c -1.869625482660305 0.000000000000000 12.576209955618035 Atomic positions (fractional): *1 S 0.10508246133582 0.76518602495361 0.24875804729248 32.065 2 S 0.89491753866418 0.26518602495361 0.25124195270752 32.065 3 S 0.89491753866418 0.23481397504639 0.75124195270752 32.065 4 S 0.10508246133582 0.73481397504639 0.74875804729248 32.065 *5 S 0.70569732288705 0.71895945312987 0.07808570119156 32.065 6 S 0.29430267711295 0.21895945312987 0.42191429880844 32.065 7 S 0.29430267711295 0.28104054687013 0.92191429880844 32.065 8 S 0.70569732288705 0.78104054687013 0.57808570119156 32.065 *9 S 0.44077249236743 0.68777400148548 0.70459144876180 32.065 10 S 0.55922750763257 0.18777400148548 0.79540855123820 32.065 11 S 0.55922750763257 0.31222599851452 0.29540855123820 32.065 12 S 0.44077249236743 0.81222599851452 0.20459144876180 32.065 *13 S 0.00860585488624 0.66163907164779 0.98631955412002 32.065 14 S 0.99139414511376 0.16163907164779 0.51368044587998 32.065 *15 S 0.75489842613225 0.54696805930670 0.82554060274345 32.065 16 S 0.99139414511376 0.33836092835221 0.01368044587998 32.065 *17 S 0.33062457949362 0.59126905596211 0.95774409689581 32.065 18 S 0.66937542050638 0.09126905596211 0.54225590310419 32.065 19 S 0.66937542050638 0.40873094403789 0.04225590310418 32.065 20 S 0.33062457949362 0.90873094403789 0.45774409689582 32.065 *21 S 0.75130532263132 0.59213824018662 0.32729839750873 32.065 22 S 0.24869467736868 0.09213824018662 0.17270160249127 32.065 23 S 0.24869467736868 0.40786175981338 0.67270160249127 32.065 24 S 0.75130532263132 0.90786175981338 0.82729839750873 32.065 *25 S 0.94137556526172 0.98409303578784 0.10596341505199 32.065 26 S 0.05862443473828 0.48409303578784 0.39403658494801 32.065 27 S 0.05862443473828 0.01590696421216 0.89403658494801 32.065 28 S 0.94137556526172 0.51590696421216 0.60596341505199 32.065 *29 S 0.40230410582424 0.92620917121934 0.91356738779802 32.065 30 S 0.59769589417576 0.42620917121934 0.58643261220198 32.065 31 S 0.59769589417576 0.07379082878066 0.08643261220198 32.065 32 S 0.40230410582424 0.57379082878066 0.41356738779802 32.065 33 S 0.75489842613225 0.95303194069330 0.32554060274345 32.065 34 S 0.24510157386775 0.45303194069330 0.17445939725655 32.065 35 S 0.24510157386775 0.04696805930670 0.67445939725655 32.065 36 S 0.00860585488624 0.83836092835221 0.48631955412002 32.065 *37 Ga 0.74748527885250 0.91715199887146 0.14760002310387 69.723 38 Ga 0.25251472114750 0.41715199887145 0.35239997689613 69.723 39 Ga 0.25251472114750 0.08284800112854 0.85239997689613 69.723 40 Ga 0.74748527885250 0.58284800112854 0.64760002310387 69.723 *41 Ga 0.80277224699643 0.76979264459757 0.42514481542982 69.723 42 Ga 0.19722775300357 0.26979264459757 0.07485518457018 69.723 43 Ga 0.19722775300357 0.23020735540243 0.57485518457018 69.723 44 Ga 0.80277224699643 0.73020735540243 0.92514481542982 69.723 *45 Ga 0.31540278544389 0.74729879213853 0.82984278965997 69.723 46 Ga 0.68459721455611 0.24729879213853 0.67015721034003 69.723 47 Ga 0.68459721455611 0.25270120786147 0.17015721034003 69.723 48 Ga 0.31540278544389 0.75270120786147 0.32984278965997 69.723 *49 La 0.94254242474633 0.96968998921593 0.67315757845529 138.905 50 La 0.05745757525367 0.46968998921593 0.82684242154471 138.905 51 La 0.05745757525367 0.03031001078407 0.32684242154471 138.905 52 La 0.94254242474633 0.53031001078407 0.17315757845529 138.905 *53 La 0.51371053529398 0.94803869368332 0.67533424699532 138.905 54 La 0.48628946470602 0.44803869368332 0.82466575300468 138.905 55 La 0.48628946470602 0.05196130631668 0.32466575300468 138.905 56 La 0.51371053529398 0.55196130631668 0.17533424699532 138.905 *57 La 0.19141474126849 0.85330889586078 0.05596603038976 138.905 58 La 0.80858525873151 0.35330889586078 0.44403396961024 138.905 59 La 0.80858525873151 0.14669110413922 0.94403396961024 138.905 60 La 0.19141474126849 0.64669110413922 0.55596603038976 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.219753320165662 0.000000000000000 0.000000000000000 b 0.000000000000000 10.441688090000000 0.000000000000000 c -1.869625482660305 0.000000000000000 12.576209955618035 Atomic positions (fractional): *1 S 0.10508246133582 0.76518602495361 0.24875804729248 32.065 > 1 2 S 0.89491753866418 0.26518602495361 0.25124195270752 32.065 > 2 3 S 0.89491753866418 0.23481397504639 0.75124195270752 32.065 > 3 4 S 0.10508246133582 0.73481397504639 0.74875804729248 32.065 > 4 *5 S 0.70569732288705 0.71895945312987 0.07808570119156 32.065 > 5 6 S 0.29430267711295 0.21895945312987 0.42191429880844 32.065 > 6 7 S 0.29430267711295 0.28104054687013 0.92191429880844 32.065 > 7 8 S 0.70569732288705 0.78104054687013 0.57808570119156 32.065 > 8 *9 S 0.44077249236743 0.68777400148548 0.70459144876180 32.065 > 9 10 S 0.55922750763257 0.18777400148548 0.79540855123820 32.065 > 10 11 S 0.55922750763257 0.31222599851452 0.29540855123820 32.065 > 11 12 S 0.44077249236743 0.81222599851452 0.20459144876180 32.065 > 12 *13 S 0.00860585488624 0.66163907164779 0.98631955412002 32.065 > 13 14 S 0.99139414511376 0.16163907164779 0.51368044587998 32.065 > 14 *15 S 0.75489842613225 0.54696805930670 0.82554060274345 32.065 > 15 16 S 0.99139414511376 0.33836092835221 0.01368044587998 32.065 > 16 *17 S 0.33062457949362 0.59126905596211 0.95774409689581 32.065 > 17 18 S 0.66937542050638 0.09126905596211 0.54225590310419 32.065 > 18 19 S 0.66937542050638 0.40873094403789 0.04225590310418 32.065 > 19 20 S 0.33062457949362 0.90873094403789 0.45774409689582 32.065 > 20 *21 S 0.75130532263132 0.59213824018662 0.32729839750873 32.065 > 21 22 S 0.24869467736868 0.09213824018662 0.17270160249127 32.065 > 22 23 S 0.24869467736868 0.40786175981338 0.67270160249127 32.065 > 23 24 S 0.75130532263132 0.90786175981338 0.82729839750873 32.065 > 24 *25 S 0.94137556526172 0.98409303578784 0.10596341505199 32.065 > 25 26 S 0.05862443473828 0.48409303578784 0.39403658494801 32.065 > 26 27 S 0.05862443473828 0.01590696421216 0.89403658494801 32.065 > 27 28 S 0.94137556526172 0.51590696421216 0.60596341505199 32.065 > 28 *29 S 0.40230410582424 0.92620917121934 0.91356738779802 32.065 > 29 30 S 0.59769589417576 0.42620917121934 0.58643261220198 32.065 > 30 31 S 0.59769589417576 0.07379082878066 0.08643261220198 32.065 > 31 32 S 0.40230410582424 0.57379082878066 0.41356738779802 32.065 > 32 33 S 0.75489842613225 0.95303194069330 0.32554060274345 32.065 > 33 34 S 0.24510157386775 0.45303194069330 0.17445939725655 32.065 > 34 35 S 0.24510157386775 0.04696805930670 0.67445939725655 32.065 > 35 36 S 0.00860585488624 0.83836092835221 0.48631955412002 32.065 > 36 *37 Ga 0.74748527885250 0.91715199887146 0.14760002310387 69.723 > 37 38 Ga 0.25251472114750 0.41715199887145 0.35239997689613 69.723 > 38 39 Ga 0.25251472114750 0.08284800112854 0.85239997689613 69.723 > 39 40 Ga 0.74748527885250 0.58284800112854 0.64760002310387 69.723 > 40 *41 Ga 0.80277224699643 0.76979264459757 0.42514481542982 69.723 > 41 42 Ga 0.19722775300357 0.26979264459757 0.07485518457018 69.723 > 42 43 Ga 0.19722775300357 0.23020735540243 0.57485518457018 69.723 > 43 44 Ga 0.80277224699643 0.73020735540243 0.92514481542982 69.723 > 44 *45 Ga 0.31540278544389 0.74729879213853 0.82984278965997 69.723 > 45 46 Ga 0.68459721455611 0.24729879213853 0.67015721034003 69.723 > 46 47 Ga 0.68459721455611 0.25270120786147 0.17015721034003 69.723 > 47 48 Ga 0.31540278544389 0.75270120786147 0.32984278965997 69.723 > 48 *49 La 0.94254242474633 0.96968998921593 0.67315757845529 138.905 > 49 50 La 0.05745757525367 0.46968998921593 0.82684242154471 138.905 > 50 51 La 0.05745757525367 0.03031001078407 0.32684242154471 138.905 > 51 52 La 0.94254242474633 0.53031001078407 0.17315757845529 138.905 > 52 *53 La 0.51371053529398 0.94803869368332 0.67533424699532 138.905 > 53 54 La 0.48628946470602 0.44803869368332 0.82466575300468 138.905 > 54 55 La 0.48628946470602 0.05196130631668 0.32466575300468 138.905 > 55 56 La 0.51371053529398 0.55196130631668 0.17533424699532 138.905 > 56 *57 La 0.19141474126849 0.85330889586078 0.05596603038976 138.905 > 57 58 La 0.80858525873151 0.35330889586078 0.44403396961024 138.905 > 58 59 La 0.80858525873151 0.14669110413922 0.94403396961024 138.905 > 59 60 La 0.19141474126849 0.64669110413922 0.55596603038976 138.905 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 20.439506640331324 0.000000000000000 0.000000000000000 b 0.000000000000000 10.441688090000000 0.000000000000000 c -1.869625482660305 0.000000000000000 12.576209955618035 Atomic positions (fractional): *1 S 0.05254123066791 0.76518602495361 0.24875804729248 32.065 > 1 2 S 0.55254123066791 0.76518602495361 0.24875804729248 32.065 > 1 3 S 0.44745876933209 0.26518602495361 0.25124195270752 32.065 > 2 4 S 0.94745876933209 0.26518602495361 0.25124195270752 32.065 > 2 5 S 0.44745876933209 0.23481397504639 0.75124195270752 32.065 > 3 6 S 0.94745876933209 0.23481397504639 0.75124195270752 32.065 > 3 7 S 0.05254123066791 0.73481397504639 0.74875804729248 32.065 > 4 8 S 0.55254123066791 0.73481397504639 0.74875804729248 32.065 > 4 *9 S 0.35284866144352 0.71895945312987 0.07808570119156 32.065 > 5 10 S 0.85284866144352 0.71895945312987 0.07808570119156 32.065 > 5 11 S 0.14715133855648 0.21895945312987 0.42191429880844 32.065 > 6 12 S 0.64715133855648 0.21895945312987 0.42191429880844 32.065 > 6 13 S 0.14715133855648 0.28104054687013 0.92191429880844 32.065 > 7 14 S 0.64715133855648 0.28104054687013 0.92191429880844 32.065 > 7 15 S 0.35284866144352 0.78104054687013 0.57808570119156 32.065 > 8 16 S 0.85284866144352 0.78104054687013 0.57808570119156 32.065 > 8 *17 S 0.22038624618372 0.68777400148548 0.70459144876180 32.065 > 9 18 S 0.72038624618372 0.68777400148548 0.70459144876180 32.065 > 9 19 S 0.27961375381628 0.18777400148548 0.79540855123820 32.065 > 10 20 S 0.77961375381628 0.18777400148548 0.79540855123820 32.065 > 10 21 S 0.27961375381628 0.31222599851452 0.29540855123820 32.065 > 11 22 S 0.77961375381628 0.31222599851452 0.29540855123820 32.065 > 11 23 S 0.22038624618372 0.81222599851452 0.20459144876180 32.065 > 12 24 S 0.72038624618372 0.81222599851452 0.20459144876180 32.065 > 12 *25 S 0.00430292744312 0.66163907164779 0.98631955412002 32.065 > 13 26 S 0.50430292744312 0.66163907164779 0.98631955412002 32.065 > 13 27 S 0.49569707255688 0.16163907164779 0.51368044587998 32.065 > 14 28 S 0.99569707255688 0.16163907164779 0.51368044587998 32.065 > 14 *29 S 0.37744921306613 0.54696805930670 0.82554060274345 32.065 > 15 30 S 0.87744921306613 0.54696805930670 0.82554060274345 32.065 > 15 31 S 0.49569707255688 0.33836092835221 0.01368044587998 32.065 > 16 32 S 0.99569707255688 0.33836092835221 0.01368044587998 32.065 > 16 *33 S 0.16531228974681 0.59126905596211 0.95774409689581 32.065 > 17 34 S 0.66531228974681 0.59126905596211 0.95774409689581 32.065 > 17 35 S 0.33468771025319 0.09126905596211 0.54225590310419 32.065 > 18 36 S 0.83468771025319 0.09126905596211 0.54225590310419 32.065 > 18 37 S 0.33468771025319 0.40873094403789 0.04225590310418 32.065 > 19 38 S 0.83468771025319 0.40873094403789 0.04225590310418 32.065 > 19 39 S 0.16531228974681 0.90873094403789 0.45774409689582 32.065 > 20 40 S 0.66531228974681 0.90873094403789 0.45774409689582 32.065 > 20 *41 S 0.37565266131566 0.59213824018662 0.32729839750873 32.065 > 21 42 S 0.87565266131566 0.59213824018662 0.32729839750873 32.065 > 21 43 S 0.12434733868434 0.09213824018662 0.17270160249127 32.065 > 22 44 S 0.62434733868434 0.09213824018662 0.17270160249127 32.065 > 22 45 S 0.12434733868434 0.40786175981338 0.67270160249127 32.065 > 23 46 S 0.62434733868434 0.40786175981338 0.67270160249127 32.065 > 23 47 S 0.37565266131566 0.90786175981338 0.82729839750873 32.065 > 24 48 S 0.87565266131566 0.90786175981338 0.82729839750873 32.065 > 24 *49 S 0.47068778263086 0.98409303578784 0.10596341505199 32.065 > 25 50 S 0.97068778263086 0.98409303578784 0.10596341505199 32.065 > 25 51 S 0.02931221736914 0.48409303578784 0.39403658494801 32.065 > 26 52 S 0.52931221736914 0.48409303578784 0.39403658494801 32.065 > 26 53 S 0.02931221736914 0.01590696421216 0.89403658494801 32.065 > 27 54 S 0.52931221736914 0.01590696421216 0.89403658494801 32.065 > 27 55 S 0.47068778263086 0.51590696421216 0.60596341505199 32.065 > 28 56 S 0.97068778263086 0.51590696421216 0.60596341505199 32.065 > 28 *57 S 0.20115205291212 0.92620917121934 0.91356738779802 32.065 > 29 58 S 0.70115205291212 0.92620917121934 0.91356738779802 32.065 > 29 59 S 0.29884794708788 0.42620917121934 0.58643261220198 32.065 > 30 60 S 0.79884794708788 0.42620917121934 0.58643261220198 32.065 > 30 61 S 0.29884794708788 0.07379082878066 0.08643261220198 32.065 > 31 62 S 0.79884794708788 0.07379082878066 0.08643261220198 32.065 > 31 63 S 0.20115205291212 0.57379082878066 0.41356738779802 32.065 > 32 64 S 0.70115205291212 0.57379082878066 0.41356738779802 32.065 > 32 65 S 0.37744921306613 0.95303194069330 0.32554060274345 32.065 > 33 66 S 0.87744921306613 0.95303194069330 0.32554060274345 32.065 > 33 67 S 0.12255078693387 0.45303194069330 0.17445939725655 32.065 > 34 68 S 0.62255078693387 0.45303194069330 0.17445939725655 32.065 > 34 69 S 0.12255078693387 0.04696805930670 0.67445939725655 32.065 > 35 70 S 0.62255078693387 0.04696805930670 0.67445939725655 32.065 > 35 71 S 0.00430292744312 0.83836092835221 0.48631955412002 32.065 > 36 72 S 0.50430292744312 0.83836092835221 0.48631955412002 32.065 > 36 *73 Ga 0.37374263942625 0.91715199887146 0.14760002310387 69.723 > 37 74 Ga 0.87374263942625 0.91715199887146 0.14760002310387 69.723 > 37 75 Ga 0.12625736057375 0.41715199887145 0.35239997689613 69.723 > 38 76 Ga 0.62625736057375 0.41715199887145 0.35239997689613 69.723 > 38 77 Ga 0.12625736057375 0.08284800112854 0.85239997689613 69.723 > 39 78 Ga 0.62625736057375 0.08284800112854 0.85239997689613 69.723 > 39 79 Ga 0.37374263942625 0.58284800112854 0.64760002310387 69.723 > 40 80 Ga 0.87374263942625 0.58284800112854 0.64760002310387 69.723 > 40 *81 Ga 0.40138612349821 0.76979264459757 0.42514481542982 69.723 > 41 82 Ga 0.90138612349821 0.76979264459757 0.42514481542982 69.723 > 41 83 Ga 0.09861387650179 0.26979264459757 0.07485518457018 69.723 > 42 84 Ga 0.59861387650179 0.26979264459757 0.07485518457018 69.723 > 42 85 Ga 0.09861387650179 0.23020735540243 0.57485518457018 69.723 > 43 86 Ga 0.59861387650179 0.23020735540243 0.57485518457018 69.723 > 43 87 Ga 0.40138612349821 0.73020735540243 0.92514481542982 69.723 > 44 88 Ga 0.90138612349821 0.73020735540243 0.92514481542982 69.723 > 44 *89 Ga 0.15770139272195 0.74729879213853 0.82984278965997 69.723 > 45 90 Ga 0.65770139272195 0.74729879213853 0.82984278965997 69.723 > 45 91 Ga 0.34229860727805 0.24729879213853 0.67015721034003 69.723 > 46 92 Ga 0.84229860727805 0.24729879213853 0.67015721034003 69.723 > 46 93 Ga 0.34229860727805 0.25270120786147 0.17015721034003 69.723 > 47 94 Ga 0.84229860727805 0.25270120786147 0.17015721034003 69.723 > 47 95 Ga 0.15770139272195 0.75270120786147 0.32984278965997 69.723 > 48 96 Ga 0.65770139272195 0.75270120786147 0.32984278965997 69.723 > 48 *97 La 0.47127121237316 0.96968998921593 0.67315757845529 138.905 > 49 98 La 0.97127121237317 0.96968998921593 0.67315757845529 138.905 > 49 99 La 0.02872878762683 0.46968998921593 0.82684242154471 138.905 > 50 100 La 0.52872878762683 0.46968998921593 0.82684242154471 138.905 > 50 101 La 0.02872878762683 0.03031001078407 0.32684242154471 138.905 > 51 102 La 0.52872878762683 0.03031001078407 0.32684242154471 138.905 > 51 103 La 0.47127121237316 0.53031001078407 0.17315757845529 138.905 > 52 104 La 0.97127121237317 0.53031001078407 0.17315757845529 138.905 > 52 *105 La 0.25685526764699 0.94803869368332 0.67533424699532 138.905 > 53 106 La 0.75685526764699 0.94803869368332 0.67533424699532 138.905 > 53 107 La 0.24314473235301 0.44803869368332 0.82466575300468 138.905 > 54 108 La 0.74314473235301 0.44803869368332 0.82466575300468 138.905 > 54 109 La 0.24314473235301 0.05196130631668 0.32466575300468 138.905 > 55 110 La 0.74314473235301 0.05196130631668 0.32466575300468 138.905 > 55 111 La 0.25685526764699 0.55196130631668 0.17533424699532 138.905 > 56 112 La 0.75685526764699 0.55196130631668 0.17533424699532 138.905 > 56 *113 La 0.09570737063425 0.85330889586078 0.05596603038976 138.905 > 57 114 La 0.59570737063425 0.85330889586078 0.05596603038976 138.905 > 57 115 La 0.40429262936575 0.35330889586078 0.44403396961024 138.905 > 58 116 La 0.90429262936575 0.35330889586078 0.44403396961024 138.905 > 58 117 La 0.40429262936575 0.14669110413922 0.94403396961024 138.905 > 59 118 La 0.90429262936575 0.14669110413922 0.94403396961024 138.905 > 59 119 La 0.09570737063425 0.64669110413922 0.55596603038976 138.905 > 60 120 La 0.59570737063425 0.64669110413922 0.55596603038976 138.905 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8416702 0.0000000 -0.0855917 0.0000000 7.3193824 0.0000000 -0.0850175 0.0000000 7.2743124 -------------------------- Born effective charges -------------------------- 1 S -2.9195612 -0.3033505 -0.0969165 -0.3638553 -2.6907384 -0.2254524 -0.0223373 -0.2979473 -2.5079574 2 S -2.9195612 0.3033505 -0.0969165 0.3638553 -2.6907384 0.2254524 -0.0223373 0.2979473 -2.5079574 3 S -2.9195612 -0.3033505 -0.0969165 -0.3638553 -2.6907384 -0.2254524 -0.0223373 -0.2979473 -2.5079574 4 S -2.9195612 0.3033505 -0.0969165 0.3638553 -2.6907384 0.2254524 -0.0223373 0.2979473 -2.5079574 5 S -1.9594353 -0.1977351 0.6469446 -0.0482562 -2.4383474 -0.1413436 0.5907917 -0.0279140 -2.4312391 6 S -1.9594353 0.1977351 0.6469446 0.0482562 -2.4383474 0.1413436 0.5907917 0.0279140 -2.4312391 7 S -1.9594353 -0.1977351 0.6469446 -0.0482562 -2.4383474 -0.1413436 0.5907917 -0.0279140 -2.4312391 8 S -1.9594353 0.1977351 0.6469446 0.0482562 -2.4383474 0.1413436 0.5907917 0.0279140 -2.4312391 9 S -2.0464518 -0.5398248 -0.2427964 -0.3111497 -3.1838860 0.4276158 -0.0784510 0.3809082 -2.4295544 10 S -2.0464518 0.5398248 -0.2427964 0.3111497 -3.1838860 -0.4276158 -0.0784510 -0.3809082 -2.4295544 11 S -2.0464518 -0.5398248 -0.2427964 -0.3111497 -3.1838860 0.4276158 -0.0784510 0.3809082 -2.4295544 12 S -2.0464518 0.5398248 -0.2427964 0.3111497 -3.1838860 -0.4276158 -0.0784510 -0.3809082 -2.4295544 13 S -2.5732721 0.1480067 -0.3167048 -0.3679501 -2.4904424 -0.1931108 -0.0230989 -0.2159051 -2.7476105 14 S -2.5732721 -0.1480067 -0.3167048 0.3679501 -2.4904424 0.1931108 -0.0230989 0.2159051 -2.7476105 15 S -2.8707423 -0.3221144 0.0453503 -0.2685290 -2.0609823 -0.5123472 0.0939984 -0.4811327 -2.5871129 16 S -2.5732721 0.1480067 -0.3167048 -0.3679501 -2.4904424 -0.1931108 -0.0230989 -0.2159051 -2.7476105 17 S -2.6573775 0.3098470 -0.1571212 0.5368125 -2.7346537 0.1021198 -0.2138649 0.0862984 -3.1499331 18 S -2.6573775 -0.3098470 -0.1571212 -0.5368125 -2.7346537 -0.1021198 -0.2138649 -0.0862984 -3.1499331 19 S -2.6573775 0.3098470 -0.1571212 0.5368125 -2.7346537 0.1021198 -0.2138649 0.0862984 -3.1499331 20 S -2.6573775 -0.3098470 -0.1571212 -0.5368125 -2.7346537 -0.1021198 -0.2138649 -0.0862984 -3.1499331 21 S -2.5451968 0.2511533 -0.2707668 0.0077141 -2.7215368 -0.4253039 -0.2994651 -0.2973861 -2.8788332 22 S -2.5451968 -0.2511533 -0.2707668 -0.0077141 -2.7215368 0.4253039 -0.2994651 0.2973861 -2.8788332 23 S -2.5451968 0.2511533 -0.2707668 0.0077141 -2.7215368 -0.4253039 -0.2994651 -0.2973861 -2.8788332 24 S -2.5451968 -0.2511533 -0.2707668 -0.0077141 -2.7215368 0.4253039 -0.2994651 0.2973861 -2.8788332 25 S -3.0096557 0.2225799 -0.1330827 0.2294861 -1.9392986 0.2850123 -0.1100428 0.3086682 -3.0933844 26 S -3.0096557 -0.2225799 -0.1330827 -0.2294861 -1.9392986 -0.2850123 -0.1100428 -0.3086682 -3.0933844 27 S -3.0096557 0.2225799 -0.1330827 0.2294861 -1.9392986 0.2850123 -0.1100428 0.3086682 -3.0933844 28 S -3.0096557 -0.2225799 -0.1330827 -0.2294861 -1.9392986 -0.2850123 -0.1100428 -0.3086682 -3.0933844 29 S -1.2710984 0.5224461 0.9638909 0.0810488 -2.8438021 0.0179843 0.6203372 0.1831981 -2.2982435 30 S -1.2710984 -0.5224461 0.9638909 -0.0810488 -2.8438021 -0.0179843 0.6203372 -0.1831981 -2.2982435 31 S -1.2710984 0.5224461 0.9638909 0.0810488 -2.8438021 0.0179843 0.6203372 0.1831981 -2.2982435 32 S -1.2710984 -0.5224461 0.9638909 -0.0810488 -2.8438021 -0.0179843 0.6203372 -0.1831981 -2.2982435 33 S -2.8707423 0.3221144 0.0453503 0.2685290 -2.0609823 0.5123472 0.0939984 0.4811327 -2.5871129 34 S -2.8707423 -0.3221144 0.0453503 -0.2685290 -2.0609823 -0.5123472 0.0939984 -0.4811327 -2.5871129 35 S -2.8707423 0.3221144 0.0453503 0.2685290 -2.0609823 0.5123472 0.0939984 0.4811327 -2.5871129 36 S -2.5732721 -0.1480067 -0.3167048 0.3679501 -2.4904424 0.1931108 -0.0230989 0.2159051 -2.7476105 37 Ga 2.7614337 0.0549704 -0.2497173 -0.0982252 3.1588738 -0.0353916 -0.3635293 0.5393442 2.8486736 38 Ga 2.7614337 -0.0549704 -0.2497173 0.0982252 3.1588738 0.0353916 -0.3635293 -0.5393442 2.8486736 39 Ga 2.7614337 0.0549704 -0.2497173 -0.0982252 3.1588738 -0.0353916 -0.3635293 0.5393442 2.8486736 40 Ga 2.7614337 -0.0549704 -0.2497173 0.0982252 3.1588738 0.0353916 -0.3635293 -0.5393442 2.8486736 41 Ga 2.6880225 0.0807164 0.0317092 0.3490988 3.3148287 0.1819317 0.0123731 0.0788349 3.7072214 42 Ga 2.6880225 -0.0807164 0.0317092 -0.3490988 3.3148287 -0.1819317 0.0123731 -0.0788349 3.7072214 43 Ga 2.6880225 0.0807164 0.0317092 0.3490988 3.3148287 0.1819317 0.0123731 0.0788349 3.7072214 44 Ga 2.6880225 -0.0807164 0.0317092 -0.3490988 3.3148287 -0.1819317 0.0123731 -0.0788349 3.7072214 45 Ga 2.3029943 -0.0835837 0.0346234 0.2601514 2.8884566 -0.0054811 0.1290023 -0.1215244 2.7651946 46 Ga 2.3029943 0.0835837 0.0346234 -0.2601514 2.8884566 0.0054811 0.1290023 0.1215244 2.7651946 47 Ga 2.3029943 -0.0835837 0.0346234 0.2601514 2.8884566 -0.0054811 0.1290023 -0.1215244 2.7651946 48 Ga 2.3029943 0.0835837 0.0346234 -0.2601514 2.8884566 0.0054811 0.1290023 0.1215244 2.7651946 49 La 3.6858805 -0.6528547 -0.1195839 -0.0015840 4.5950151 0.1496503 -0.2025091 0.2557204 5.1186042 50 La 3.6858805 0.6528547 -0.1195839 0.0015840 4.5950151 -0.1496503 -0.2025091 -0.2557204 5.1186042 51 La 3.6858805 -0.6528547 -0.1195839 -0.0015840 4.5950151 0.1496503 -0.2025091 0.2557204 5.1186042 52 La 3.6858805 0.6528547 -0.1195839 0.0015840 4.5950151 -0.1496503 -0.2025091 -0.2557204 5.1186042 53 La 6.4424685 0.9234215 -0.4435743 -0.0107620 4.8480890 0.1334271 0.1373933 0.1418082 4.3583197 54 La 6.4424685 -0.9234215 -0.4435743 0.0107620 4.8480890 -0.1334271 0.1373933 -0.1418082 4.3583197 55 La 6.4424685 0.9234215 -0.4435743 -0.0107620 4.8480890 0.1334271 0.1373933 0.1418082 4.3583197 56 La 6.4424685 -0.9234215 -0.4435743 0.0107620 4.8480890 -0.1334271 0.1373933 -0.1418082 4.3583197 57 La 3.9719917 0.1598580 0.3077454 0.0139859 4.2984244 0.0529790 -0.2705975 -0.1457924 5.3258549 58 La 3.9719917 -0.1598580 0.3077454 -0.0139859 4.2984244 -0.0529790 -0.2705975 0.1457924 5.3258549 59 La 3.9719917 0.1598580 0.3077454 0.0139859 4.2984244 0.0529790 -0.2705975 -0.1457924 5.3258549 60 La 3.9719917 -0.1598580 0.3077454 -0.0139859 4.2984244 -0.0529790 -0.2705975 0.1457924 5.3258549 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.375 Solver_block: 200 / 1840 - Time: 2.021 Solver_block: 300 / 1840 - Time: 2.010 Solver_block: 400 / 1840 - Time: 2.010 Solver_block: 500 / 1840 - Time: 2.004 Solver_block: 600 / 1840 - Time: 2.000 Solver_block: 700 / 1840 - Time: 2.011 Solver_block: 800 / 1840 - Time: 2.059 Solver_block: 900 / 1840 - Time: 2.011 Solver_block: 1000 / 1840 - Time: 2.033 Solver_block: 1100 / 1840 - Time: 2.096 Solver_block: 1200 / 1840 - Time: 2.011 Solver_block: 1300 / 1840 - Time: 3.420 Solver_block: 1400 / 1840 - Time: 3.547 Solver_block: 1500 / 1840 - Time: 3.044 Solver_block: 1600 / 1840 - Time: 2.957 Solver_block: 1700 / 1840 - Time: 3.652 Solver_block: 1800 / 1840 - Time: 3.373 Solver_block: 1840 / 1840 - Time: 1.586 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 47.923 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:30:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:30:01]------------------------- 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 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.219753320165662 0.000000000000000 0.000000000000000 b 0.000000000000000 10.441688090000000 0.000000000000000 c -1.869625482660305 0.000000000000000 12.576209955618035 Atomic positions (fractional): 1 S 0.10508246133582 0.76518602495361 0.24875804729248 32.065 2 S 0.89491753866418 0.26518602495361 0.25124195270752 32.065 3 S 0.89491753866418 0.23481397504639 0.75124195270752 32.065 4 S 0.10508246133582 0.73481397504639 0.74875804729248 32.065 5 S 0.70569732288705 0.71895945312987 0.07808570119156 32.065 6 S 0.29430267711295 0.21895945312987 0.42191429880844 32.065 7 S 0.29430267711295 0.28104054687013 0.92191429880844 32.065 8 S 0.70569732288705 0.78104054687013 0.57808570119156 32.065 9 S 0.44077249236743 0.68777400148548 0.70459144876180 32.065 10 S 0.55922750763257 0.18777400148548 0.79540855123820 32.065 11 S 0.55922750763257 0.31222599851452 0.29540855123820 32.065 12 S 0.44077249236743 0.81222599851452 0.20459144876180 32.065 13 S 0.00860585488624 0.66163907164779 0.98631955412002 32.065 14 S 0.99139414511376 0.16163907164779 0.51368044587998 32.065 15 S 0.75489842613225 0.54696805930670 0.82554060274345 32.065 16 S 0.99139414511376 0.33836092835221 0.01368044587998 32.065 17 S 0.33062457949362 0.59126905596211 0.95774409689581 32.065 18 S 0.66937542050638 0.09126905596211 0.54225590310419 32.065 19 S 0.66937542050638 0.40873094403789 0.04225590310418 32.065 20 S 0.33062457949362 0.90873094403789 0.45774409689582 32.065 21 S 0.75130532263132 0.59213824018662 0.32729839750873 32.065 22 S 0.24869467736868 0.09213824018662 0.17270160249127 32.065 23 S 0.24869467736868 0.40786175981338 0.67270160249127 32.065 24 S 0.75130532263132 0.90786175981338 0.82729839750873 32.065 25 S 0.94137556526172 0.98409303578784 0.10596341505199 32.065 26 S 0.05862443473828 0.48409303578784 0.39403658494801 32.065 27 S 0.05862443473828 0.01590696421216 0.89403658494801 32.065 28 S 0.94137556526172 0.51590696421216 0.60596341505199 32.065 29 S 0.40230410582424 0.92620917121934 0.91356738779802 32.065 30 S 0.59769589417576 0.42620917121934 0.58643261220198 32.065 31 S 0.59769589417576 0.07379082878066 0.08643261220198 32.065 32 S 0.40230410582424 0.57379082878066 0.41356738779802 32.065 33 S 0.75489842613225 0.95303194069330 0.32554060274345 32.065 34 S 0.24510157386775 0.45303194069330 0.17445939725655 32.065 35 S 0.24510157386775 0.04696805930670 0.67445939725655 32.065 36 S 0.00860585488624 0.83836092835221 0.48631955412002 32.065 37 Ga 0.74748527885250 0.91715199887146 0.14760002310387 69.723 38 Ga 0.25251472114750 0.41715199887145 0.35239997689613 69.723 39 Ga 0.25251472114750 0.08284800112854 0.85239997689613 69.723 40 Ga 0.74748527885250 0.58284800112854 0.64760002310387 69.723 41 Ga 0.80277224699643 0.76979264459757 0.42514481542982 69.723 42 Ga 0.19722775300357 0.26979264459757 0.07485518457018 69.723 43 Ga 0.19722775300357 0.23020735540243 0.57485518457018 69.723 44 Ga 0.80277224699643 0.73020735540243 0.92514481542982 69.723 45 Ga 0.31540278544389 0.74729879213853 0.82984278965997 69.723 46 Ga 0.68459721455611 0.24729879213853 0.67015721034003 69.723 47 Ga 0.68459721455611 0.25270120786147 0.17015721034003 69.723 48 Ga 0.31540278544389 0.75270120786147 0.32984278965997 69.723 49 La 0.94254242474633 0.96968998921593 0.67315757845529 138.905 50 La 0.05745757525367 0.46968998921593 0.82684242154471 138.905 51 La 0.05745757525367 0.03031001078407 0.32684242154471 138.905 52 La 0.94254242474633 0.53031001078407 0.17315757845529 138.905 53 La 0.51371053529398 0.94803869368332 0.67533424699532 138.905 54 La 0.48628946470602 0.44803869368332 0.82466575300468 138.905 55 La 0.48628946470602 0.05196130631668 0.32466575300468 138.905 56 La 0.51371053529398 0.55196130631668 0.17533424699532 138.905 57 La 0.19141474126849 0.85330889586078 0.05596603038976 138.905 58 La 0.80858525873151 0.35330889586078 0.44403396961024 138.905 59 La 0.80858525873151 0.14669110413922 0.94403396961024 138.905 60 La 0.19141474126849 0.64669110413922 0.55596603038976 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.439506640331324 0.000000000000000 0.000000000000000 b 0.000000000000000 10.441688090000000 0.000000000000000 c -1.869625482660305 0.000000000000000 12.576209955618035 Atomic positions (fractional): 1 S 0.05254123066791 0.76518602495361 0.24875804729248 32.065 > 1 2 S 0.55254123066791 0.76518602495361 0.24875804729248 32.065 > 1 3 S 0.44745876933209 0.26518602495361 0.25124195270752 32.065 > 3 4 S 0.94745876933209 0.26518602495361 0.25124195270752 32.065 > 3 5 S 0.44745876933209 0.23481397504639 0.75124195270752 32.065 > 5 6 S 0.94745876933209 0.23481397504639 0.75124195270752 32.065 > 5 7 S 0.05254123066791 0.73481397504639 0.74875804729248 32.065 > 7 8 S 0.55254123066791 0.73481397504639 0.74875804729248 32.065 > 7 9 S 0.35284866144352 0.71895945312987 0.07808570119156 32.065 > 9 10 S 0.85284866144352 0.71895945312987 0.07808570119156 32.065 > 9 11 S 0.14715133855648 0.21895945312987 0.42191429880844 32.065 > 11 12 S 0.64715133855648 0.21895945312987 0.42191429880844 32.065 > 11 13 S 0.14715133855648 0.28104054687013 0.92191429880844 32.065 > 13 14 S 0.64715133855648 0.28104054687013 0.92191429880844 32.065 > 13 15 S 0.35284866144352 0.78104054687013 0.57808570119156 32.065 > 15 16 S 0.85284866144352 0.78104054687013 0.57808570119156 32.065 > 15 17 S 0.22038624618372 0.68777400148548 0.70459144876180 32.065 > 17 18 S 0.72038624618372 0.68777400148548 0.70459144876180 32.065 > 17 19 S 0.27961375381628 0.18777400148548 0.79540855123820 32.065 > 19 20 S 0.77961375381628 0.18777400148548 0.79540855123820 32.065 > 19 21 S 0.27961375381628 0.31222599851452 0.29540855123820 32.065 > 21 22 S 0.77961375381628 0.31222599851452 0.29540855123820 32.065 > 21 23 S 0.22038624618372 0.81222599851452 0.20459144876180 32.065 > 23 24 S 0.72038624618372 0.81222599851452 0.20459144876180 32.065 > 23 25 S 0.00430292744312 0.66163907164779 0.98631955412002 32.065 > 25 26 S 0.50430292744312 0.66163907164779 0.98631955412002 32.065 > 25 27 S 0.49569707255688 0.16163907164779 0.51368044587998 32.065 > 27 28 S 0.99569707255688 0.16163907164779 0.51368044587998 32.065 > 27 29 S 0.37744921306613 0.54696805930670 0.82554060274345 32.065 > 29 30 S 0.87744921306613 0.54696805930670 0.82554060274345 32.065 > 29 31 S 0.49569707255688 0.33836092835221 0.01368044587998 32.065 > 31 32 S 0.99569707255688 0.33836092835221 0.01368044587998 32.065 > 31 33 S 0.16531228974681 0.59126905596211 0.95774409689581 32.065 > 33 34 S 0.66531228974681 0.59126905596211 0.95774409689581 32.065 > 33 35 S 0.33468771025319 0.09126905596211 0.54225590310419 32.065 > 35 36 S 0.83468771025319 0.09126905596211 0.54225590310419 32.065 > 35 37 S 0.33468771025319 0.40873094403789 0.04225590310418 32.065 > 37 38 S 0.83468771025319 0.40873094403789 0.04225590310418 32.065 > 37 39 S 0.16531228974681 0.90873094403789 0.45774409689582 32.065 > 39 40 S 0.66531228974681 0.90873094403789 0.45774409689582 32.065 > 39 41 S 0.37565266131566 0.59213824018662 0.32729839750873 32.065 > 41 42 S 0.87565266131566 0.59213824018662 0.32729839750873 32.065 > 41 43 S 0.12434733868434 0.09213824018662 0.17270160249127 32.065 > 43 44 S 0.62434733868434 0.09213824018662 0.17270160249127 32.065 > 43 45 S 0.12434733868434 0.40786175981338 0.67270160249127 32.065 > 45 46 S 0.62434733868434 0.40786175981338 0.67270160249127 32.065 > 45 47 S 0.37565266131566 0.90786175981338 0.82729839750873 32.065 > 47 48 S 0.87565266131566 0.90786175981338 0.82729839750873 32.065 > 47 49 S 0.47068778263086 0.98409303578784 0.10596341505199 32.065 > 49 50 S 0.97068778263086 0.98409303578784 0.10596341505199 32.065 > 49 51 S 0.02931221736914 0.48409303578784 0.39403658494801 32.065 > 51 52 S 0.52931221736914 0.48409303578784 0.39403658494801 32.065 > 51 53 S 0.02931221736914 0.01590696421216 0.89403658494801 32.065 > 53 54 S 0.52931221736914 0.01590696421216 0.89403658494801 32.065 > 53 55 S 0.47068778263086 0.51590696421216 0.60596341505199 32.065 > 55 56 S 0.97068778263086 0.51590696421216 0.60596341505199 32.065 > 55 57 S 0.20115205291212 0.92620917121934 0.91356738779802 32.065 > 57 58 S 0.70115205291212 0.92620917121934 0.91356738779802 32.065 > 57 59 S 0.29884794708788 0.42620917121934 0.58643261220198 32.065 > 59 60 S 0.79884794708788 0.42620917121934 0.58643261220198 32.065 > 59 61 S 0.29884794708788 0.07379082878066 0.08643261220198 32.065 > 61 62 S 0.79884794708788 0.07379082878066 0.08643261220198 32.065 > 61 63 S 0.20115205291212 0.57379082878066 0.41356738779802 32.065 > 63 64 S 0.70115205291212 0.57379082878066 0.41356738779802 32.065 > 63 65 S 0.37744921306613 0.95303194069330 0.32554060274345 32.065 > 65 66 S 0.87744921306613 0.95303194069330 0.32554060274345 32.065 > 65 67 S 0.12255078693387 0.45303194069330 0.17445939725655 32.065 > 67 68 S 0.62255078693387 0.45303194069330 0.17445939725655 32.065 > 67 69 S 0.12255078693387 0.04696805930670 0.67445939725655 32.065 > 69 70 S 0.62255078693387 0.04696805930670 0.67445939725655 32.065 > 69 71 S 0.00430292744312 0.83836092835221 0.48631955412002 32.065 > 71 72 S 0.50430292744312 0.83836092835221 0.48631955412002 32.065 > 71 73 Ga 0.37374263942625 0.91715199887146 0.14760002310387 69.723 > 73 74 Ga 0.87374263942625 0.91715199887146 0.14760002310387 69.723 > 73 75 Ga 0.12625736057375 0.41715199887145 0.35239997689613 69.723 > 75 76 Ga 0.62625736057375 0.41715199887145 0.35239997689613 69.723 > 75 77 Ga 0.12625736057375 0.08284800112854 0.85239997689613 69.723 > 77 78 Ga 0.62625736057375 0.08284800112854 0.85239997689613 69.723 > 77 79 Ga 0.37374263942625 0.58284800112854 0.64760002310387 69.723 > 79 80 Ga 0.87374263942625 0.58284800112854 0.64760002310387 69.723 > 79 81 Ga 0.40138612349821 0.76979264459757 0.42514481542982 69.723 > 81 82 Ga 0.90138612349821 0.76979264459757 0.42514481542982 69.723 > 81 83 Ga 0.09861387650179 0.26979264459757 0.07485518457018 69.723 > 83 84 Ga 0.59861387650179 0.26979264459757 0.07485518457018 69.723 > 83 85 Ga 0.09861387650179 0.23020735540243 0.57485518457018 69.723 > 85 86 Ga 0.59861387650179 0.23020735540243 0.57485518457018 69.723 > 85 87 Ga 0.40138612349821 0.73020735540243 0.92514481542982 69.723 > 87 88 Ga 0.90138612349821 0.73020735540243 0.92514481542982 69.723 > 87 89 Ga 0.15770139272195 0.74729879213853 0.82984278965997 69.723 > 89 90 Ga 0.65770139272195 0.74729879213853 0.82984278965997 69.723 > 89 91 Ga 0.34229860727805 0.24729879213853 0.67015721034003 69.723 > 91 92 Ga 0.84229860727805 0.24729879213853 0.67015721034003 69.723 > 91 93 Ga 0.34229860727805 0.25270120786147 0.17015721034003 69.723 > 93 94 Ga 0.84229860727805 0.25270120786147 0.17015721034003 69.723 > 93 95 Ga 0.15770139272195 0.75270120786147 0.32984278965997 69.723 > 95 96 Ga 0.65770139272195 0.75270120786147 0.32984278965997 69.723 > 95 97 La 0.47127121237316 0.96968998921593 0.67315757845529 138.905 > 97 98 La 0.97127121237317 0.96968998921593 0.67315757845529 138.905 > 97 99 La 0.02872878762683 0.46968998921593 0.82684242154471 138.905 > 99 100 La 0.52872878762683 0.46968998921593 0.82684242154471 138.905 > 99 101 La 0.02872878762683 0.03031001078407 0.32684242154471 138.905 > 101 102 La 0.52872878762683 0.03031001078407 0.32684242154471 138.905 > 101 103 La 0.47127121237316 0.53031001078407 0.17315757845529 138.905 > 103 104 La 0.97127121237317 0.53031001078407 0.17315757845529 138.905 > 103 105 La 0.25685526764699 0.94803869368332 0.67533424699532 138.905 > 105 106 La 0.75685526764699 0.94803869368332 0.67533424699532 138.905 > 105 107 La 0.24314473235301 0.44803869368332 0.82466575300468 138.905 > 107 108 La 0.74314473235301 0.44803869368332 0.82466575300468 138.905 > 107 109 La 0.24314473235301 0.05196130631668 0.32466575300468 138.905 > 109 110 La 0.74314473235301 0.05196130631668 0.32466575300468 138.905 > 109 111 La 0.25685526764699 0.55196130631668 0.17533424699532 138.905 > 111 112 La 0.75685526764699 0.55196130631668 0.17533424699532 138.905 > 111 113 La 0.09570737063425 0.85330889586078 0.05596603038976 138.905 > 113 114 La 0.59570737063425 0.85330889586078 0.05596603038976 138.905 > 113 115 La 0.40429262936575 0.35330889586078 0.44403396961024 138.905 > 115 116 La 0.90429262936575 0.35330889586078 0.44403396961024 138.905 > 115 117 La 0.40429262936575 0.14669110413922 0.94403396961024 138.905 > 117 118 La 0.90429262936575 0.14669110413922 0.94403396961024 138.905 > 117 119 La 0.09570737063425 0.64669110413922 0.55596603038976 138.905 > 119 120 La 0.59570737063425 0.64669110413922 0.55596603038976 138.905 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8416702 0.0000000 -0.0855917 0.0000000 7.3193824 0.0000000 -0.0850175 0.0000000 7.2743124 -------------------------- Born effective charges -------------------------- 1 S -2.9195612 -0.3033505 -0.0969165 -0.3638553 -2.6907384 -0.2254524 -0.0223373 -0.2979473 -2.5079574 2 S -2.9195612 0.3033505 -0.0969165 0.3638553 -2.6907384 0.2254524 -0.0223373 0.2979473 -2.5079574 3 S -2.9195612 -0.3033505 -0.0969165 -0.3638553 -2.6907384 -0.2254524 -0.0223373 -0.2979473 -2.5079574 4 S -2.9195612 0.3033505 -0.0969165 0.3638553 -2.6907384 0.2254524 -0.0223373 0.2979473 -2.5079574 5 S -1.9594353 -0.1977351 0.6469446 -0.0482562 -2.4383474 -0.1413436 0.5907917 -0.0279140 -2.4312391 6 S -1.9594353 0.1977351 0.6469446 0.0482562 -2.4383474 0.1413436 0.5907917 0.0279140 -2.4312391 7 S -1.9594353 -0.1977351 0.6469446 -0.0482562 -2.4383474 -0.1413436 0.5907917 -0.0279140 -2.4312391 8 S -1.9594353 0.1977351 0.6469446 0.0482562 -2.4383474 0.1413436 0.5907917 0.0279140 -2.4312391 9 S -2.0464518 -0.5398248 -0.2427964 -0.3111497 -3.1838860 0.4276158 -0.0784510 0.3809082 -2.4295544 10 S -2.0464518 0.5398248 -0.2427964 0.3111497 -3.1838860 -0.4276158 -0.0784510 -0.3809082 -2.4295544 11 S -2.0464518 -0.5398248 -0.2427964 -0.3111497 -3.1838860 0.4276158 -0.0784510 0.3809082 -2.4295544 12 S -2.0464518 0.5398248 -0.2427964 0.3111497 -3.1838860 -0.4276158 -0.0784510 -0.3809082 -2.4295544 13 S -2.5732721 0.1480067 -0.3167048 -0.3679501 -2.4904424 -0.1931108 -0.0230989 -0.2159051 -2.7476105 14 S -2.5732721 -0.1480067 -0.3167048 0.3679501 -2.4904424 0.1931108 -0.0230989 0.2159051 -2.7476105 15 S -2.8707423 -0.3221144 0.0453503 -0.2685290 -2.0609823 -0.5123472 0.0939984 -0.4811327 -2.5871129 16 S -2.5732721 0.1480067 -0.3167048 -0.3679501 -2.4904424 -0.1931108 -0.0230989 -0.2159051 -2.7476105 17 S -2.6573775 0.3098470 -0.1571212 0.5368125 -2.7346537 0.1021198 -0.2138649 0.0862984 -3.1499331 18 S -2.6573775 -0.3098470 -0.1571212 -0.5368125 -2.7346537 -0.1021198 -0.2138649 -0.0862984 -3.1499331 19 S -2.6573775 0.3098470 -0.1571212 0.5368125 -2.7346537 0.1021198 -0.2138649 0.0862984 -3.1499331 20 S -2.6573775 -0.3098470 -0.1571212 -0.5368125 -2.7346537 -0.1021198 -0.2138649 -0.0862984 -3.1499331 21 S -2.5451968 0.2511533 -0.2707668 0.0077141 -2.7215368 -0.4253039 -0.2994651 -0.2973861 -2.8788332 22 S -2.5451968 -0.2511533 -0.2707668 -0.0077141 -2.7215368 0.4253039 -0.2994651 0.2973861 -2.8788332 23 S -2.5451968 0.2511533 -0.2707668 0.0077141 -2.7215368 -0.4253039 -0.2994651 -0.2973861 -2.8788332 24 S -2.5451968 -0.2511533 -0.2707668 -0.0077141 -2.7215368 0.4253039 -0.2994651 0.2973861 -2.8788332 25 S -3.0096557 0.2225799 -0.1330827 0.2294861 -1.9392986 0.2850123 -0.1100428 0.3086682 -3.0933844 26 S -3.0096557 -0.2225799 -0.1330827 -0.2294861 -1.9392986 -0.2850123 -0.1100428 -0.3086682 -3.0933844 27 S -3.0096557 0.2225799 -0.1330827 0.2294861 -1.9392986 0.2850123 -0.1100428 0.3086682 -3.0933844 28 S -3.0096557 -0.2225799 -0.1330827 -0.2294861 -1.9392986 -0.2850123 -0.1100428 -0.3086682 -3.0933844 29 S -1.2710984 0.5224461 0.9638909 0.0810488 -2.8438021 0.0179843 0.6203372 0.1831981 -2.2982435 30 S -1.2710984 -0.5224461 0.9638909 -0.0810488 -2.8438021 -0.0179843 0.6203372 -0.1831981 -2.2982435 31 S -1.2710984 0.5224461 0.9638909 0.0810488 -2.8438021 0.0179843 0.6203372 0.1831981 -2.2982435 32 S -1.2710984 -0.5224461 0.9638909 -0.0810488 -2.8438021 -0.0179843 0.6203372 -0.1831981 -2.2982435 33 S -2.8707423 0.3221144 0.0453503 0.2685290 -2.0609823 0.5123472 0.0939984 0.4811327 -2.5871129 34 S -2.8707423 -0.3221144 0.0453503 -0.2685290 -2.0609823 -0.5123472 0.0939984 -0.4811327 -2.5871129 35 S -2.8707423 0.3221144 0.0453503 0.2685290 -2.0609823 0.5123472 0.0939984 0.4811327 -2.5871129 36 S -2.5732721 -0.1480067 -0.3167048 0.3679501 -2.4904424 0.1931108 -0.0230989 0.2159051 -2.7476105 37 Ga 2.7614337 0.0549704 -0.2497173 -0.0982252 3.1588738 -0.0353916 -0.3635293 0.5393442 2.8486736 38 Ga 2.7614337 -0.0549704 -0.2497173 0.0982252 3.1588738 0.0353916 -0.3635293 -0.5393442 2.8486736 39 Ga 2.7614337 0.0549704 -0.2497173 -0.0982252 3.1588738 -0.0353916 -0.3635293 0.5393442 2.8486736 40 Ga 2.7614337 -0.0549704 -0.2497173 0.0982252 3.1588738 0.0353916 -0.3635293 -0.5393442 2.8486736 41 Ga 2.6880225 0.0807164 0.0317092 0.3490988 3.3148287 0.1819317 0.0123731 0.0788349 3.7072214 42 Ga 2.6880225 -0.0807164 0.0317092 -0.3490988 3.3148287 -0.1819317 0.0123731 -0.0788349 3.7072214 43 Ga 2.6880225 0.0807164 0.0317092 0.3490988 3.3148287 0.1819317 0.0123731 0.0788349 3.7072214 44 Ga 2.6880225 -0.0807164 0.0317092 -0.3490988 3.3148287 -0.1819317 0.0123731 -0.0788349 3.7072214 45 Ga 2.3029943 -0.0835837 0.0346234 0.2601514 2.8884566 -0.0054811 0.1290023 -0.1215244 2.7651946 46 Ga 2.3029943 0.0835837 0.0346234 -0.2601514 2.8884566 0.0054811 0.1290023 0.1215244 2.7651946 47 Ga 2.3029943 -0.0835837 0.0346234 0.2601514 2.8884566 -0.0054811 0.1290023 -0.1215244 2.7651946 48 Ga 2.3029943 0.0835837 0.0346234 -0.2601514 2.8884566 0.0054811 0.1290023 0.1215244 2.7651946 49 La 3.6858805 -0.6528547 -0.1195839 -0.0015840 4.5950151 0.1496503 -0.2025091 0.2557204 5.1186042 50 La 3.6858805 0.6528547 -0.1195839 0.0015840 4.5950151 -0.1496503 -0.2025091 -0.2557204 5.1186042 51 La 3.6858805 -0.6528547 -0.1195839 -0.0015840 4.5950151 0.1496503 -0.2025091 0.2557204 5.1186042 52 La 3.6858805 0.6528547 -0.1195839 0.0015840 4.5950151 -0.1496503 -0.2025091 -0.2557204 5.1186042 53 La 6.4424685 0.9234215 -0.4435743 -0.0107620 4.8480890 0.1334271 0.1373933 0.1418082 4.3583197 54 La 6.4424685 -0.9234215 -0.4435743 0.0107620 4.8480890 -0.1334271 0.1373933 -0.1418082 4.3583197 55 La 6.4424685 0.9234215 -0.4435743 -0.0107620 4.8480890 0.1334271 0.1373933 0.1418082 4.3583197 56 La 6.4424685 -0.9234215 -0.4435743 0.0107620 4.8480890 -0.1334271 0.1373933 -0.1418082 4.3583197 57 La 3.9719917 0.1598580 0.3077454 0.0139859 4.2984244 0.0529790 -0.2705975 -0.1457924 5.3258549 58 La 3.9719917 -0.1598580 0.3077454 -0.0139859 4.2984244 -0.0529790 -0.2705975 0.1457924 5.3258549 59 La 3.9719917 0.1598580 0.3077454 0.0139859 4.2984244 0.0529790 -0.2705975 -0.1457924 5.3258549 60 La 3.9719917 -0.1598580 0.3077454 -0.0139859 4.2984244 -0.0529790 -0.2705975 0.1457924 5.3258549 ---------------------------------------------------------------------------- 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 113, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:31:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:31:19]------------------------- 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 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.219753320165662 0.000000000000000 0.000000000000000 b 0.000000000000000 10.441688090000000 0.000000000000000 c -1.869625482660305 0.000000000000000 12.576209955618035 Atomic positions (fractional): 1 S 0.10508246133582 0.76518602495361 0.24875804729248 32.065 2 S 0.89491753866418 0.26518602495361 0.25124195270752 32.065 3 S 0.89491753866418 0.23481397504639 0.75124195270752 32.065 4 S 0.10508246133582 0.73481397504639 0.74875804729248 32.065 5 S 0.70569732288705 0.71895945312987 0.07808570119156 32.065 6 S 0.29430267711295 0.21895945312987 0.42191429880844 32.065 7 S 0.29430267711295 0.28104054687013 0.92191429880844 32.065 8 S 0.70569732288705 0.78104054687013 0.57808570119156 32.065 9 S 0.44077249236743 0.68777400148548 0.70459144876180 32.065 10 S 0.55922750763257 0.18777400148548 0.79540855123820 32.065 11 S 0.55922750763257 0.31222599851452 0.29540855123820 32.065 12 S 0.44077249236743 0.81222599851452 0.20459144876180 32.065 13 S 0.00860585488624 0.66163907164779 0.98631955412002 32.065 14 S 0.99139414511376 0.16163907164779 0.51368044587998 32.065 15 S 0.75489842613225 0.54696805930670 0.82554060274345 32.065 16 S 0.99139414511376 0.33836092835221 0.01368044587998 32.065 17 S 0.33062457949362 0.59126905596211 0.95774409689581 32.065 18 S 0.66937542050638 0.09126905596211 0.54225590310419 32.065 19 S 0.66937542050638 0.40873094403789 0.04225590310418 32.065 20 S 0.33062457949362 0.90873094403789 0.45774409689582 32.065 21 S 0.75130532263132 0.59213824018662 0.32729839750873 32.065 22 S 0.24869467736868 0.09213824018662 0.17270160249127 32.065 23 S 0.24869467736868 0.40786175981338 0.67270160249127 32.065 24 S 0.75130532263132 0.90786175981338 0.82729839750873 32.065 25 S 0.94137556526172 0.98409303578784 0.10596341505199 32.065 26 S 0.05862443473828 0.48409303578784 0.39403658494801 32.065 27 S 0.05862443473828 0.01590696421216 0.89403658494801 32.065 28 S 0.94137556526172 0.51590696421216 0.60596341505199 32.065 29 S 0.40230410582424 0.92620917121934 0.91356738779802 32.065 30 S 0.59769589417576 0.42620917121934 0.58643261220198 32.065 31 S 0.59769589417576 0.07379082878066 0.08643261220198 32.065 32 S 0.40230410582424 0.57379082878066 0.41356738779802 32.065 33 S 0.75489842613225 0.95303194069330 0.32554060274345 32.065 34 S 0.24510157386775 0.45303194069330 0.17445939725655 32.065 35 S 0.24510157386775 0.04696805930670 0.67445939725655 32.065 36 S 0.00860585488624 0.83836092835221 0.48631955412002 32.065 37 Ga 0.74748527885250 0.91715199887146 0.14760002310387 69.723 38 Ga 0.25251472114750 0.41715199887145 0.35239997689613 69.723 39 Ga 0.25251472114750 0.08284800112854 0.85239997689613 69.723 40 Ga 0.74748527885250 0.58284800112854 0.64760002310387 69.723 41 Ga 0.80277224699643 0.76979264459757 0.42514481542982 69.723 42 Ga 0.19722775300357 0.26979264459757 0.07485518457018 69.723 43 Ga 0.19722775300357 0.23020735540243 0.57485518457018 69.723 44 Ga 0.80277224699643 0.73020735540243 0.92514481542982 69.723 45 Ga 0.31540278544389 0.74729879213853 0.82984278965997 69.723 46 Ga 0.68459721455611 0.24729879213853 0.67015721034003 69.723 47 Ga 0.68459721455611 0.25270120786147 0.17015721034003 69.723 48 Ga 0.31540278544389 0.75270120786147 0.32984278965997 69.723 49 La 0.94254242474633 0.96968998921593 0.67315757845529 138.905 50 La 0.05745757525367 0.46968998921593 0.82684242154471 138.905 51 La 0.05745757525367 0.03031001078407 0.32684242154471 138.905 52 La 0.94254242474633 0.53031001078407 0.17315757845529 138.905 53 La 0.51371053529398 0.94803869368332 0.67533424699532 138.905 54 La 0.48628946470602 0.44803869368332 0.82466575300468 138.905 55 La 0.48628946470602 0.05196130631668 0.32466575300468 138.905 56 La 0.51371053529398 0.55196130631668 0.17533424699532 138.905 57 La 0.19141474126849 0.85330889586078 0.05596603038976 138.905 58 La 0.80858525873151 0.35330889586078 0.44403396961024 138.905 59 La 0.80858525873151 0.14669110413922 0.94403396961024 138.905 60 La 0.19141474126849 0.64669110413922 0.55596603038976 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.439506640331324 0.000000000000000 0.000000000000000 b 0.000000000000000 10.441688090000000 0.000000000000000 c -1.869625482660305 0.000000000000000 12.576209955618035 Atomic positions (fractional): 1 S 0.05254123066791 0.76518602495361 0.24875804729248 32.065 > 1 2 S 0.55254123066791 0.76518602495361 0.24875804729248 32.065 > 1 3 S 0.44745876933209 0.26518602495361 0.25124195270752 32.065 > 3 4 S 0.94745876933209 0.26518602495361 0.25124195270752 32.065 > 3 5 S 0.44745876933209 0.23481397504639 0.75124195270752 32.065 > 5 6 S 0.94745876933209 0.23481397504639 0.75124195270752 32.065 > 5 7 S 0.05254123066791 0.73481397504639 0.74875804729248 32.065 > 7 8 S 0.55254123066791 0.73481397504639 0.74875804729248 32.065 > 7 9 S 0.35284866144352 0.71895945312987 0.07808570119156 32.065 > 9 10 S 0.85284866144352 0.71895945312987 0.07808570119156 32.065 > 9 11 S 0.14715133855648 0.21895945312987 0.42191429880844 32.065 > 11 12 S 0.64715133855648 0.21895945312987 0.42191429880844 32.065 > 11 13 S 0.14715133855648 0.28104054687013 0.92191429880844 32.065 > 13 14 S 0.64715133855648 0.28104054687013 0.92191429880844 32.065 > 13 15 S 0.35284866144352 0.78104054687013 0.57808570119156 32.065 > 15 16 S 0.85284866144352 0.78104054687013 0.57808570119156 32.065 > 15 17 S 0.22038624618372 0.68777400148548 0.70459144876180 32.065 > 17 18 S 0.72038624618372 0.68777400148548 0.70459144876180 32.065 > 17 19 S 0.27961375381628 0.18777400148548 0.79540855123820 32.065 > 19 20 S 0.77961375381628 0.18777400148548 0.79540855123820 32.065 > 19 21 S 0.27961375381628 0.31222599851452 0.29540855123820 32.065 > 21 22 S 0.77961375381628 0.31222599851452 0.29540855123820 32.065 > 21 23 S 0.22038624618372 0.81222599851452 0.20459144876180 32.065 > 23 24 S 0.72038624618372 0.81222599851452 0.20459144876180 32.065 > 23 25 S 0.00430292744312 0.66163907164779 0.98631955412002 32.065 > 25 26 S 0.50430292744312 0.66163907164779 0.98631955412002 32.065 > 25 27 S 0.49569707255688 0.16163907164779 0.51368044587998 32.065 > 27 28 S 0.99569707255688 0.16163907164779 0.51368044587998 32.065 > 27 29 S 0.37744921306613 0.54696805930670 0.82554060274345 32.065 > 29 30 S 0.87744921306613 0.54696805930670 0.82554060274345 32.065 > 29 31 S 0.49569707255688 0.33836092835221 0.01368044587998 32.065 > 31 32 S 0.99569707255688 0.33836092835221 0.01368044587998 32.065 > 31 33 S 0.16531228974681 0.59126905596211 0.95774409689581 32.065 > 33 34 S 0.66531228974681 0.59126905596211 0.95774409689581 32.065 > 33 35 S 0.33468771025319 0.09126905596211 0.54225590310419 32.065 > 35 36 S 0.83468771025319 0.09126905596211 0.54225590310419 32.065 > 35 37 S 0.33468771025319 0.40873094403789 0.04225590310418 32.065 > 37 38 S 0.83468771025319 0.40873094403789 0.04225590310418 32.065 > 37 39 S 0.16531228974681 0.90873094403789 0.45774409689582 32.065 > 39 40 S 0.66531228974681 0.90873094403789 0.45774409689582 32.065 > 39 41 S 0.37565266131566 0.59213824018662 0.32729839750873 32.065 > 41 42 S 0.87565266131566 0.59213824018662 0.32729839750873 32.065 > 41 43 S 0.12434733868434 0.09213824018662 0.17270160249127 32.065 > 43 44 S 0.62434733868434 0.09213824018662 0.17270160249127 32.065 > 43 45 S 0.12434733868434 0.40786175981338 0.67270160249127 32.065 > 45 46 S 0.62434733868434 0.40786175981338 0.67270160249127 32.065 > 45 47 S 0.37565266131566 0.90786175981338 0.82729839750873 32.065 > 47 48 S 0.87565266131566 0.90786175981338 0.82729839750873 32.065 > 47 49 S 0.47068778263086 0.98409303578784 0.10596341505199 32.065 > 49 50 S 0.97068778263086 0.98409303578784 0.10596341505199 32.065 > 49 51 S 0.02931221736914 0.48409303578784 0.39403658494801 32.065 > 51 52 S 0.52931221736914 0.48409303578784 0.39403658494801 32.065 > 51 53 S 0.02931221736914 0.01590696421216 0.89403658494801 32.065 > 53 54 S 0.52931221736914 0.01590696421216 0.89403658494801 32.065 > 53 55 S 0.47068778263086 0.51590696421216 0.60596341505199 32.065 > 55 56 S 0.97068778263086 0.51590696421216 0.60596341505199 32.065 > 55 57 S 0.20115205291212 0.92620917121934 0.91356738779802 32.065 > 57 58 S 0.70115205291212 0.92620917121934 0.91356738779802 32.065 > 57 59 S 0.29884794708788 0.42620917121934 0.58643261220198 32.065 > 59 60 S 0.79884794708788 0.42620917121934 0.58643261220198 32.065 > 59 61 S 0.29884794708788 0.07379082878066 0.08643261220198 32.065 > 61 62 S 0.79884794708788 0.07379082878066 0.08643261220198 32.065 > 61 63 S 0.20115205291212 0.57379082878066 0.41356738779802 32.065 > 63 64 S 0.70115205291212 0.57379082878066 0.41356738779802 32.065 > 63 65 S 0.37744921306613 0.95303194069330 0.32554060274345 32.065 > 65 66 S 0.87744921306613 0.95303194069330 0.32554060274345 32.065 > 65 67 S 0.12255078693387 0.45303194069330 0.17445939725655 32.065 > 67 68 S 0.62255078693387 0.45303194069330 0.17445939725655 32.065 > 67 69 S 0.12255078693387 0.04696805930670 0.67445939725655 32.065 > 69 70 S 0.62255078693387 0.04696805930670 0.67445939725655 32.065 > 69 71 S 0.00430292744312 0.83836092835221 0.48631955412002 32.065 > 71 72 S 0.50430292744312 0.83836092835221 0.48631955412002 32.065 > 71 73 Ga 0.37374263942625 0.91715199887146 0.14760002310387 69.723 > 73 74 Ga 0.87374263942625 0.91715199887146 0.14760002310387 69.723 > 73 75 Ga 0.12625736057375 0.41715199887145 0.35239997689613 69.723 > 75 76 Ga 0.62625736057375 0.41715199887145 0.35239997689613 69.723 > 75 77 Ga 0.12625736057375 0.08284800112854 0.85239997689613 69.723 > 77 78 Ga 0.62625736057375 0.08284800112854 0.85239997689613 69.723 > 77 79 Ga 0.37374263942625 0.58284800112854 0.64760002310387 69.723 > 79 80 Ga 0.87374263942625 0.58284800112854 0.64760002310387 69.723 > 79 81 Ga 0.40138612349821 0.76979264459757 0.42514481542982 69.723 > 81 82 Ga 0.90138612349821 0.76979264459757 0.42514481542982 69.723 > 81 83 Ga 0.09861387650179 0.26979264459757 0.07485518457018 69.723 > 83 84 Ga 0.59861387650179 0.26979264459757 0.07485518457018 69.723 > 83 85 Ga 0.09861387650179 0.23020735540243 0.57485518457018 69.723 > 85 86 Ga 0.59861387650179 0.23020735540243 0.57485518457018 69.723 > 85 87 Ga 0.40138612349821 0.73020735540243 0.92514481542982 69.723 > 87 88 Ga 0.90138612349821 0.73020735540243 0.92514481542982 69.723 > 87 89 Ga 0.15770139272195 0.74729879213853 0.82984278965997 69.723 > 89 90 Ga 0.65770139272195 0.74729879213853 0.82984278965997 69.723 > 89 91 Ga 0.34229860727805 0.24729879213853 0.67015721034003 69.723 > 91 92 Ga 0.84229860727805 0.24729879213853 0.67015721034003 69.723 > 91 93 Ga 0.34229860727805 0.25270120786147 0.17015721034003 69.723 > 93 94 Ga 0.84229860727805 0.25270120786147 0.17015721034003 69.723 > 93 95 Ga 0.15770139272195 0.75270120786147 0.32984278965997 69.723 > 95 96 Ga 0.65770139272195 0.75270120786147 0.32984278965997 69.723 > 95 97 La 0.47127121237316 0.96968998921593 0.67315757845529 138.905 > 97 98 La 0.97127121237317 0.96968998921593 0.67315757845529 138.905 > 97 99 La 0.02872878762683 0.46968998921593 0.82684242154471 138.905 > 99 100 La 0.52872878762683 0.46968998921593 0.82684242154471 138.905 > 99 101 La 0.02872878762683 0.03031001078407 0.32684242154471 138.905 > 101 102 La 0.52872878762683 0.03031001078407 0.32684242154471 138.905 > 101 103 La 0.47127121237316 0.53031001078407 0.17315757845529 138.905 > 103 104 La 0.97127121237317 0.53031001078407 0.17315757845529 138.905 > 103 105 La 0.25685526764699 0.94803869368332 0.67533424699532 138.905 > 105 106 La 0.75685526764699 0.94803869368332 0.67533424699532 138.905 > 105 107 La 0.24314473235301 0.44803869368332 0.82466575300468 138.905 > 107 108 La 0.74314473235301 0.44803869368332 0.82466575300468 138.905 > 107 109 La 0.24314473235301 0.05196130631668 0.32466575300468 138.905 > 109 110 La 0.74314473235301 0.05196130631668 0.32466575300468 138.905 > 109 111 La 0.25685526764699 0.55196130631668 0.17533424699532 138.905 > 111 112 La 0.75685526764699 0.55196130631668 0.17533424699532 138.905 > 111 113 La 0.09570737063425 0.85330889586078 0.05596603038976 138.905 > 113 114 La 0.59570737063425 0.85330889586078 0.05596603038976 138.905 > 113 115 La 0.40429262936575 0.35330889586078 0.44403396961024 138.905 > 115 116 La 0.90429262936575 0.35330889586078 0.44403396961024 138.905 > 115 117 La 0.40429262936575 0.14669110413922 0.94403396961024 138.905 > 117 118 La 0.90429262936575 0.14669110413922 0.94403396961024 138.905 > 117 119 La 0.09570737063425 0.64669110413922 0.55596603038976 138.905 > 119 120 La 0.59570737063425 0.64669110413922 0.55596603038976 138.905 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.8416702 0.0000000 -0.0855917 0.0000000 7.3193824 0.0000000 -0.0850175 0.0000000 7.2743124 -------------------------- Born effective charges -------------------------- 1 S -2.9195612 -0.3033505 -0.0969165 -0.3638553 -2.6907384 -0.2254524 -0.0223373 -0.2979473 -2.5079574 2 S -2.9195612 0.3033505 -0.0969165 0.3638553 -2.6907384 0.2254524 -0.0223373 0.2979473 -2.5079574 3 S -2.9195612 -0.3033505 -0.0969165 -0.3638553 -2.6907384 -0.2254524 -0.0223373 -0.2979473 -2.5079574 4 S -2.9195612 0.3033505 -0.0969165 0.3638553 -2.6907384 0.2254524 -0.0223373 0.2979473 -2.5079574 5 S -1.9594353 -0.1977351 0.6469446 -0.0482562 -2.4383474 -0.1413436 0.5907917 -0.0279140 -2.4312391 6 S -1.9594353 0.1977351 0.6469446 0.0482562 -2.4383474 0.1413436 0.5907917 0.0279140 -2.4312391 7 S -1.9594353 -0.1977351 0.6469446 -0.0482562 -2.4383474 -0.1413436 0.5907917 -0.0279140 -2.4312391 8 S -1.9594353 0.1977351 0.6469446 0.0482562 -2.4383474 0.1413436 0.5907917 0.0279140 -2.4312391 9 S -2.0464518 -0.5398248 -0.2427964 -0.3111497 -3.1838860 0.4276158 -0.0784510 0.3809082 -2.4295544 10 S -2.0464518 0.5398248 -0.2427964 0.3111497 -3.1838860 -0.4276158 -0.0784510 -0.3809082 -2.4295544 11 S -2.0464518 -0.5398248 -0.2427964 -0.3111497 -3.1838860 0.4276158 -0.0784510 0.3809082 -2.4295544 12 S -2.0464518 0.5398248 -0.2427964 0.3111497 -3.1838860 -0.4276158 -0.0784510 -0.3809082 -2.4295544 13 S -2.5732721 0.1480067 -0.3167048 -0.3679501 -2.4904424 -0.1931108 -0.0230989 -0.2159051 -2.7476105 14 S -2.5732721 -0.1480067 -0.3167048 0.3679501 -2.4904424 0.1931108 -0.0230989 0.2159051 -2.7476105 15 S -2.8707423 -0.3221144 0.0453503 -0.2685290 -2.0609823 -0.5123472 0.0939984 -0.4811327 -2.5871129 16 S -2.5732721 0.1480067 -0.3167048 -0.3679501 -2.4904424 -0.1931108 -0.0230989 -0.2159051 -2.7476105 17 S -2.6573775 0.3098470 -0.1571212 0.5368125 -2.7346537 0.1021198 -0.2138649 0.0862984 -3.1499331 18 S -2.6573775 -0.3098470 -0.1571212 -0.5368125 -2.7346537 -0.1021198 -0.2138649 -0.0862984 -3.1499331 19 S -2.6573775 0.3098470 -0.1571212 0.5368125 -2.7346537 0.1021198 -0.2138649 0.0862984 -3.1499331 20 S -2.6573775 -0.3098470 -0.1571212 -0.5368125 -2.7346537 -0.1021198 -0.2138649 -0.0862984 -3.1499331 21 S -2.5451968 0.2511533 -0.2707668 0.0077141 -2.7215368 -0.4253039 -0.2994651 -0.2973861 -2.8788332 22 S -2.5451968 -0.2511533 -0.2707668 -0.0077141 -2.7215368 0.4253039 -0.2994651 0.2973861 -2.8788332 23 S -2.5451968 0.2511533 -0.2707668 0.0077141 -2.7215368 -0.4253039 -0.2994651 -0.2973861 -2.8788332 24 S -2.5451968 -0.2511533 -0.2707668 -0.0077141 -2.7215368 0.4253039 -0.2994651 0.2973861 -2.8788332 25 S -3.0096557 0.2225799 -0.1330827 0.2294861 -1.9392986 0.2850123 -0.1100428 0.3086682 -3.0933844 26 S -3.0096557 -0.2225799 -0.1330827 -0.2294861 -1.9392986 -0.2850123 -0.1100428 -0.3086682 -3.0933844 27 S -3.0096557 0.2225799 -0.1330827 0.2294861 -1.9392986 0.2850123 -0.1100428 0.3086682 -3.0933844 28 S -3.0096557 -0.2225799 -0.1330827 -0.2294861 -1.9392986 -0.2850123 -0.1100428 -0.3086682 -3.0933844 29 S -1.2710984 0.5224461 0.9638909 0.0810488 -2.8438021 0.0179843 0.6203372 0.1831981 -2.2982435 30 S -1.2710984 -0.5224461 0.9638909 -0.0810488 -2.8438021 -0.0179843 0.6203372 -0.1831981 -2.2982435 31 S -1.2710984 0.5224461 0.9638909 0.0810488 -2.8438021 0.0179843 0.6203372 0.1831981 -2.2982435 32 S -1.2710984 -0.5224461 0.9638909 -0.0810488 -2.8438021 -0.0179843 0.6203372 -0.1831981 -2.2982435 33 S -2.8707423 0.3221144 0.0453503 0.2685290 -2.0609823 0.5123472 0.0939984 0.4811327 -2.5871129 34 S -2.8707423 -0.3221144 0.0453503 -0.2685290 -2.0609823 -0.5123472 0.0939984 -0.4811327 -2.5871129 35 S -2.8707423 0.3221144 0.0453503 0.2685290 -2.0609823 0.5123472 0.0939984 0.4811327 -2.5871129 36 S -2.5732721 -0.1480067 -0.3167048 0.3679501 -2.4904424 0.1931108 -0.0230989 0.2159051 -2.7476105 37 Ga 2.7614337 0.0549704 -0.2497173 -0.0982252 3.1588738 -0.0353916 -0.3635293 0.5393442 2.8486736 38 Ga 2.7614337 -0.0549704 -0.2497173 0.0982252 3.1588738 0.0353916 -0.3635293 -0.5393442 2.8486736 39 Ga 2.7614337 0.0549704 -0.2497173 -0.0982252 3.1588738 -0.0353916 -0.3635293 0.5393442 2.8486736 40 Ga 2.7614337 -0.0549704 -0.2497173 0.0982252 3.1588738 0.0353916 -0.3635293 -0.5393442 2.8486736 41 Ga 2.6880225 0.0807164 0.0317092 0.3490988 3.3148287 0.1819317 0.0123731 0.0788349 3.7072214 42 Ga 2.6880225 -0.0807164 0.0317092 -0.3490988 3.3148287 -0.1819317 0.0123731 -0.0788349 3.7072214 43 Ga 2.6880225 0.0807164 0.0317092 0.3490988 3.3148287 0.1819317 0.0123731 0.0788349 3.7072214 44 Ga 2.6880225 -0.0807164 0.0317092 -0.3490988 3.3148287 -0.1819317 0.0123731 -0.0788349 3.7072214 45 Ga 2.3029943 -0.0835837 0.0346234 0.2601514 2.8884566 -0.0054811 0.1290023 -0.1215244 2.7651946 46 Ga 2.3029943 0.0835837 0.0346234 -0.2601514 2.8884566 0.0054811 0.1290023 0.1215244 2.7651946 47 Ga 2.3029943 -0.0835837 0.0346234 0.2601514 2.8884566 -0.0054811 0.1290023 -0.1215244 2.7651946 48 Ga 2.3029943 0.0835837 0.0346234 -0.2601514 2.8884566 0.0054811 0.1290023 0.1215244 2.7651946 49 La 3.6858805 -0.6528547 -0.1195839 -0.0015840 4.5950151 0.1496503 -0.2025091 0.2557204 5.1186042 50 La 3.6858805 0.6528547 -0.1195839 0.0015840 4.5950151 -0.1496503 -0.2025091 -0.2557204 5.1186042 51 La 3.6858805 -0.6528547 -0.1195839 -0.0015840 4.5950151 0.1496503 -0.2025091 0.2557204 5.1186042 52 La 3.6858805 0.6528547 -0.1195839 0.0015840 4.5950151 -0.1496503 -0.2025091 -0.2557204 5.1186042 53 La 6.4424685 0.9234215 -0.4435743 -0.0107620 4.8480890 0.1334271 0.1373933 0.1418082 4.3583197 54 La 6.4424685 -0.9234215 -0.4435743 0.0107620 4.8480890 -0.1334271 0.1373933 -0.1418082 4.3583197 55 La 6.4424685 0.9234215 -0.4435743 -0.0107620 4.8480890 0.1334271 0.1373933 0.1418082 4.3583197 56 La 6.4424685 -0.9234215 -0.4435743 0.0107620 4.8480890 -0.1334271 0.1373933 -0.1418082 4.3583197 57 La 3.9719917 0.1598580 0.3077454 0.0139859 4.2984244 0.0529790 -0.2705975 -0.1457924 5.3258549 58 La 3.9719917 -0.1598580 0.3077454 -0.0139859 4.2984244 -0.0529790 -0.2705975 0.1457924 5.3258549 59 La 3.9719917 0.1598580 0.3077454 0.0139859 4.2984244 0.0529790 -0.2705975 -0.1457924 5.3258549 60 La 3.9719917 -0.1598580 0.3077454 -0.0139859 4.2984244 -0.0529790 -0.2705975 0.1457924 5.3258549 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 5 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.38, Number of G-points: 305, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/33) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.401 ( 0.000 0.000 0.000) 0.000 1.520 ( 0.000 0.000 0.000) 0.000 1.571 ( 0.000 0.000 0.000) 0.000 1.575 ( 0.000 0.000 0.000) 0.000 1.644 ( 0.000 0.000 0.000) 0.000 1.716 ( 0.000 0.000 0.000) 0.000 1.773 ( 0.000 0.000 0.000) 0.000 1.790 ( 0.000 0.000 0.000) 0.000 1.857 ( 0.000 0.000 0.000) 0.000 1.890 ( 0.000 0.000 0.000) 0.000 1.953 ( 0.000 0.000 0.000) 0.000 1.957 ( 0.000 0.000 0.000) 0.000 2.006 ( 0.000 0.000 0.000) 0.000 2.053 ( 0.000 0.000 0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.113 ( 0.000 0.000 0.000) 0.000 2.146 ( 0.000 0.000 0.000) 0.000 2.168 ( 0.000 0.000 0.000) 0.000 2.241 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.391 ( 0.000 0.000 0.000) 0.000 2.442 ( 0.000 0.000 0.000) 0.000 2.453 ( 0.000 0.000 0.000) 0.000 2.455 ( 0.000 0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.516 ( 0.000 0.000 0.000) 0.000 2.599 ( 0.000 0.000 0.000) 0.000 2.607 ( 0.000 0.000 0.000) 0.000 2.616 ( 0.000 0.000 0.000) 0.000 2.679 ( 0.000 0.000 0.000) 0.000 2.719 ( 0.000 0.000 0.000) 0.000 2.748 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 2.988 ( 0.000 0.000 0.000) 0.000 2.988 ( 0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.123 ( 0.000 0.000 0.000) 0.000 3.162 ( 0.000 0.000 0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.360 ( 0.000 0.000 0.000) 0.000 3.368 ( 0.000 0.000 0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 3.422 ( 0.000 0.000 0.000) 0.000 3.448 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.598 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 3.699 ( 0.000 0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 3.849 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 3.904 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 0.000 0.000) 0.000 4.201 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.353 ( 0.000 0.000 0.000) 0.000 4.391 ( 0.000 0.000 0.000) 0.000 4.440 ( 0.000 0.000 0.000) 0.000 4.453 ( 0.000 0.000 0.000) 0.000 4.487 ( 0.000 0.000 0.000) 0.000 4.498 ( 0.000 0.000 0.000) 0.000 4.505 ( 0.000 0.000 0.000) 0.000 4.523 ( 0.000 0.000 0.000) 0.000 4.530 ( 0.000 0.000 0.000) 0.000 4.576 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.720 ( 0.000 0.000 0.000) 0.000 4.755 ( 0.000 0.000 0.000) 0.000 4.803 ( 0.000 0.000 0.000) 0.000 4.936 ( 0.000 0.000 0.000) 0.000 5.047 ( 0.000 0.000 0.000) 0.000 5.053 ( 0.000 0.000 0.000) 0.000 5.182 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.313 ( 0.000 0.000 0.000) 0.000 5.319 ( 0.000 0.000 0.000) 0.000 5.323 ( 0.000 0.000 0.000) 0.000 5.376 ( 0.000 0.000 0.000) 0.000 5.487 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.615 ( 0.000 0.000 0.000) 0.000 5.616 ( 0.000 0.000 0.000) 0.000 5.728 ( 0.000 0.000 0.000) 0.000 5.788 ( 0.000 0.000 0.000) 0.000 5.863 ( 0.000 0.000 0.000) 0.000 5.990 ( 0.000 0.000 0.000) 0.000 6.080 ( 0.000 0.000 0.000) 0.000 6.197 ( 0.000 0.000 0.000) 0.000 6.210 ( 0.000 0.000 0.000) 0.000 6.225 ( 0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.358 ( 0.000 0.000 0.000) 0.000 6.449 ( 0.000 0.000 0.000) 0.000 6.455 ( 0.000 0.000 0.000) 0.000 6.494 ( 0.000 0.000 0.000) 0.000 6.579 ( 0.000 0.000 0.000) 0.000 6.610 ( 0.000 0.000 0.000) 0.000 6.702 ( 0.000 0.000 0.000) 0.000 6.790 ( 0.000 0.000 0.000) 0.000 6.796 ( 0.000 0.000 0.000) 0.000 7.024 ( 0.000 0.000 0.000) 0.000 7.159 ( 0.000 0.000 0.000) 0.000 7.220 ( 0.000 0.000 0.000) 0.000 7.231 ( 0.000 0.000 0.000) 0.000 7.305 ( 0.000 0.000 0.000) 0.000 7.320 ( 0.000 0.000 0.000) 0.000 7.355 ( 0.000 0.000 0.000) 0.000 7.656 ( 0.000 0.000 0.000) 0.000 7.667 ( 0.000 0.000 0.000) 0.000 7.762 ( 0.000 0.000 0.000) 0.000 7.825 ( 0.000 0.000 0.000) 0.000 7.855 ( 0.000 0.000 0.000) 0.000 8.015 ( 0.000 0.000 0.000) 0.000 8.027 ( 0.000 0.000 0.000) 0.000 8.041 ( 0.000 0.000 0.000) 0.000 8.238 ( 0.000 0.000 0.000) 0.000 8.286 ( 0.000 0.000 0.000) 0.000 8.606 ( 0.000 0.000 0.000) 0.000 8.641 ( 0.000 0.000 0.000) 0.000 8.731 ( 0.000 0.000 0.000) 0.000 8.776 ( 0.000 0.000 0.000) 0.000 9.301 ( 0.000 0.000 0.000) 0.000 9.389 ( 0.000 0.000 0.000) 0.000 9.399 ( 0.000 0.000 0.000) 0.000 9.421 ( 0.000 0.000 0.000) 0.000 9.507 ( 0.000 0.000 0.000) 0.000 9.548 ( 0.000 0.000 0.000) 0.000 9.629 ( 0.000 0.000 0.000) 0.000 9.630 ( 0.000 0.000 0.000) 0.000 9.645 ( 0.000 0.000 0.000) 0.000 9.712 ( 0.000 0.000 0.000) 0.000 9.778 ( 0.000 0.000 0.000) 0.000 9.783 ( 0.000 0.000 0.000) 0.000 9.823 ( 0.000 0.000 0.000) 0.000 9.845 ( 0.000 0.000 0.000) 0.000 9.929 ( 0.000 0.000 0.000) 0.000 9.963 ( 0.000 0.000 0.000) 0.000 10.037 ( 0.000 0.000 0.000) 0.000 10.066 ( 0.000 0.000 0.000) 0.000 10.092 ( 0.000 0.000 0.000) 0.000 10.110 ( 0.000 0.000 0.000) 0.000 10.138 ( 0.000 0.000 0.000) 0.000 10.149 ( 0.000 0.000 0.000) 0.000 10.170 ( 0.000 0.000 0.000) 0.000 10.209 ( 0.000 0.000 0.000) 0.000 10.314 ( 0.000 0.000 0.000) 0.000 10.332 ( 0.000 0.000 0.000) 0.000 10.378 ( 0.000 0.000 0.000) 0.000 10.426 ( 0.000 0.000 0.000) 0.000 10.541 ( 0.000 0.000 0.000) 0.000 10.570 ( 0.000 0.000 0.000) 0.000 10.573 ( 0.000 0.000 0.000) 0.000 10.782 ( 0.000 0.000 0.000) 0.000 10.917 ( 0.000 0.000 0.000) 0.000 10.928 ( 0.000 0.000 0.000) 0.000 10.986 ( 0.000 0.000 0.000) 0.000 11.011 ( 0.000 0.000 0.000) 0.000 11.047 ( 0.000 0.000 0.000) 0.000 11.101 ( 0.000 0.000 0.000) 0.000 11.102 ( 0.000 0.000 0.000) 0.000 11.179 ( 0.000 0.000 0.000) 0.000 11.275 ( 0.000 0.000 0.000) 0.000 11.329 ( 0.000 0.000 0.000) 0.000 11.393 ( 0.000 0.000 0.000) 0.000 11.483 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/33) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 20.570 0.000 -1.664) 20.637 0.456 ( 22.661 0.000 2.149) 22.763 0.790 ( 39.305 0.000 0.004) 39.305 1.423 ( 2.146 0.000 -1.951) 2.901 1.433 ( -7.577 0.000 -1.364) 7.698 1.587 ( -4.799 0.000 -3.028) 5.674 1.642 ( 3.800 0.000 -3.890) 5.438 1.658 ( 2.213 0.000 1.392) 2.614 1.732 ( 1.457 0.000 -0.985) 1.759 1.770 ( -6.080 0.000 1.927) 6.378 1.793 ( 1.374 0.000 1.753) 2.227 1.798 ( 0.242 0.000 5.602) 5.607 1.870 ( 0.735 0.000 2.898) 2.990 1.910 ( -0.989 0.000 2.028) 2.256 1.977 ( 1.606 0.000 2.952) 3.360 1.993 ( -3.114 0.000 -0.254) 3.125 2.013 ( 1.290 0.000 -0.784) 1.510 2.065 ( -1.051 0.000 -1.451) 1.792 2.132 ( -1.331 0.000 1.472) 1.984 2.146 ( 0.919 0.000 -2.147) 2.336 2.259 ( -2.021 0.000 -3.829) 4.330 2.268 ( 6.388 0.000 -1.310) 6.521 2.318 ( -0.904 0.000 3.634) 3.744 2.357 ( 7.520 0.000 1.452) 7.659 2.392 ( -3.396 0.000 -2.985) 4.521 2.406 ( 1.564 0.000 1.742) 2.341 2.428 ( -1.797 0.000 -0.111) 1.801 2.458 ( -3.153 0.000 0.388) 3.177 2.484 ( 1.317 0.000 -0.464) 1.396 2.507 ( 0.658 0.000 -1.667) 1.792 2.553 ( -2.360 0.000 1.719) 2.920 2.612 ( -0.696 0.000 0.351) 0.779 2.626 ( -5.770 0.000 -0.225) 5.774 2.670 ( 1.496 0.000 -4.693) 4.926 2.708 ( -1.183 0.000 1.111) 1.623 2.773 ( 1.843 0.000 -1.661) 2.481 2.798 ( -0.817 0.000 -1.837) 2.010 2.841 ( 0.248 0.000 0.056) 0.254 2.848 ( -6.281 0.000 -0.999) 6.360 2.941 ( -3.710 0.000 0.869) 3.810 3.041 ( -1.802 0.000 -1.296) 2.220 3.090 ( 4.110 0.000 -2.464) 4.792 3.120 ( -0.564 0.000 -5.214) 5.245 3.146 ( -0.322 0.000 -2.104) 2.128 3.185 ( -2.683 0.000 2.836) 3.904 3.265 ( -0.400 0.000 3.733) 3.755 3.307 ( -0.668 0.000 -0.975) 1.182 3.315 ( 1.124 0.000 0.550) 1.252 3.364 ( 0.087 0.000 -7.584) 7.584 3.429 ( 1.542 0.000 1.404) 2.085 3.436 ( 2.449 0.000 5.754) 6.254 3.450 ( 1.331 0.000 -3.771) 3.999 3.468 ( -0.207 0.000 8.161) 8.164 3.532 ( 4.727 0.000 3.807) 6.070 3.572 ( -1.724 0.000 4.159) 4.502 3.662 ( 4.401 0.000 -3.160) 5.418 3.704 ( -6.258 0.000 0.652) 6.292 3.707 ( -0.716 0.000 1.161) 1.364 3.735 ( 0.721 0.000 0.361) 0.806 3.788 ( -3.028 0.000 -3.720) 4.796 3.810 ( -2.010 0.000 -2.179) 2.965 3.845 ( -3.032 0.000 -0.313) 3.048 3.923 ( 1.485 0.000 -0.765) 1.671 3.937 ( 1.013 0.000 0.755) 1.263 3.946 ( 0.257 0.000 3.786) 3.795 4.069 ( 1.303 0.000 2.669) 2.970 4.125 ( -6.343 0.000 1.399) 6.495 4.177 ( -0.928 0.000 -3.238) 3.368 4.330 ( 1.102 0.000 1.004) 1.490 4.335 ( -1.153 0.000 0.751) 1.376 4.415 ( -0.191 0.000 1.976) 1.985 4.427 ( -2.817 0.000 -3.610) 4.579 4.459 ( 1.977 0.000 1.726) 2.624 4.489 ( -2.435 0.000 -0.650) 2.520 4.493 ( 0.066 0.000 1.474) 1.476 4.501 ( 1.505 0.000 -1.949) 2.462 4.533 ( 0.684 0.000 1.505) 1.653 4.574 ( -1.029 0.000 7.781) 7.849 4.604 ( 2.981 0.000 -5.727) 6.456 4.656 ( 2.292 0.000 -0.550) 2.358 4.735 ( -1.364 0.000 -0.346) 1.407 4.750 ( 1.482 0.000 1.949) 2.449 4.798 ( -0.882 0.000 1.491) 1.732 4.942 ( 0.874 0.000 -1.976) 2.161 5.038 ( -1.159 0.000 -0.449) 1.244 5.096 ( 1.789 0.000 -4.740) 5.066 5.186 ( 0.103 0.000 -0.386) 0.400 5.222 ( -2.269 0.000 2.225) 3.178 5.296 ( -1.520 0.000 0.529) 1.610 5.313 ( -0.796 0.000 -0.112) 0.804 5.377 ( 1.195 0.000 -2.579) 2.842 5.381 ( 0.441 0.000 0.039) 0.443 5.457 ( -1.878 0.000 -2.039) 2.772 5.530 ( -2.110 0.000 1.578) 2.635 5.587 ( -1.702 0.000 1.678) 2.390 5.637 ( 3.520 0.000 -0.534) 3.561 5.702 ( 5.077 0.000 4.167) 6.568 5.787 ( 4.596 0.000 -0.823) 4.669 5.864 ( 0.270 0.000 -1.156) 1.187 5.881 ( 3.875 0.000 5.719) 6.908 6.055 ( -2.050 0.000 -0.796) 2.199 6.098 ( -1.001 0.000 -9.981) 10.031 6.199 ( -2.962 0.000 -0.239) 2.972 6.206 ( -0.857 0.000 1.818) 2.009 6.232 ( 0.781 0.000 0.483) 0.918 6.359 ( -0.258 0.000 -4.199) 4.207 6.385 ( 0.233 0.000 -4.308) 4.314 6.428 ( -1.333 0.000 -2.456) 2.794 6.437 ( -2.160 0.000 1.766) 2.790 6.495 ( 0.116 0.000 3.957) 3.959 6.573 ( 0.094 0.000 -3.974) 3.975 6.660 ( -1.068 0.000 3.045) 3.227 6.702 ( -3.958 0.000 -0.067) 3.958 6.890 ( 4.358 0.000 0.565) 4.394 7.003 ( -1.176 0.000 -0.924) 1.496 7.170 ( 1.236 0.000 -3.444) 3.659 7.221 ( 0.081 0.000 -0.124) 0.148 7.240 ( 0.620 0.000 1.074) 1.240 7.294 ( -1.561 0.000 1.064) 1.889 7.324 ( 0.294 0.000 0.227) 0.372 7.347 ( -0.664 0.000 -0.615) 0.905 7.412 ( -7.318 0.000 2.927) 7.882 7.654 ( -1.055 0.000 -0.058) 1.056 7.666 ( 0.681 0.000 1.238) 1.413 7.795 ( 0.265 0.000 4.049) 4.057 7.838 ( 1.100 0.000 0.531) 1.222 7.856 ( 0.060 0.000 -1.797) 1.798 8.018 ( -0.721 0.000 0.097) 0.727 8.026 ( -1.228 0.000 -1.269) 1.767 8.045 ( -2.095 0.000 7.776) 8.053 8.235 ( -0.281 0.000 0.157) 0.322 8.277 ( -0.720 0.000 -0.129) 0.732 8.580 ( -1.390 0.000 -0.407) 1.448 8.673 ( 1.713 0.000 1.620) 2.358 8.743 ( 0.964 0.000 2.201) 2.403 8.896 ( -0.524 0.000 -11.539) 11.551 9.371 ( -1.222 0.000 2.254) 2.564 9.398 ( 0.012 0.000 -1.089) 1.089 9.415 ( -0.645 0.000 0.353) 0.735 9.435 ( 0.554 0.000 7.433) 7.453 9.492 ( -0.847 0.000 -0.994) 1.306 9.572 ( -1.585 0.000 -0.020) 1.585 9.623 ( -0.671 0.000 1.158) 1.339 9.662 ( 1.608 0.000 1.304) 2.070 9.673 ( 2.154 0.000 0.444) 2.200 9.775 ( -0.185 0.000 -0.456) 0.492 9.788 ( 0.840 0.000 -0.593) 1.028 9.813 ( -2.701 0.000 1.991) 3.355 9.817 ( 1.053 0.000 -12.422) 12.466 9.830 ( 0.435 0.000 0.569) 0.716 9.909 ( -1.374 0.000 -1.897) 2.342 9.941 ( -1.391 0.000 -2.025) 2.457 10.056 ( 1.222 0.000 0.280) 1.253 10.074 ( 0.482 0.000 -0.615) 0.781 10.096 ( 0.160 0.000 0.820) 0.835 10.110 ( 0.325 0.000 -0.253) 0.412 10.139 ( -0.292 0.000 -0.281) 0.405 10.149 ( 0.304 0.000 0.283) 0.416 10.154 ( -1.037 0.000 -1.503) 1.826 10.268 ( 1.771 0.000 -4.346) 4.693 10.334 ( 2.049 0.000 1.010) 2.284 10.336 ( 0.928 0.000 -2.162) 2.353 10.400 ( 1.505 0.000 1.709) 2.277 10.447 ( -0.941 0.000 0.037) 0.942 10.541 ( -2.556 0.000 7.020) 7.471 10.587 ( 0.894 0.000 -0.870) 1.247 10.593 ( 1.630 0.000 0.699) 1.774 10.808 ( 1.410 0.000 -0.041) 1.410 10.891 ( -5.402 0.000 -3.466) 6.418 10.917 ( -0.537 0.000 2.027) 2.097 10.987 ( -2.377 0.000 1.209) 2.667 11.071 ( -2.892 0.000 0.506) 2.936 11.105 ( 0.239 0.000 -0.165) 0.290 11.116 ( 3.387 0.000 0.174) 3.392 11.157 ( -0.541 0.000 2.053) 2.124 11.187 ( 0.802 0.000 0.701) 1.065 11.271 ( -0.022 0.000 -1.164) 1.164 11.379 ( -1.032 0.000 0.169) 1.046 11.493 ( 0.986 0.000 -1.374) 1.691 11.809 ( -9.506 0.000 5.097) 10.787 ======================= Grid point 2 (3/33) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 12.543 0.000 -0.700) 12.562 0.891 ( 20.674 0.000 2.045) 20.775 1.244 ( -5.783 0.000 -2.399) 6.260 1.307 ( -18.002 0.000 -1.974) 18.110 1.459 ( 1.496 0.000 -0.952) 1.773 1.505 ( 25.699 0.000 2.073) 25.782 1.676 ( -0.624 0.000 -1.964) 2.060 1.694 ( 2.441 0.000 -2.967) 3.842 1.742 ( -1.353 0.000 3.086) 3.369 1.758 ( 1.513 0.000 0.800) 1.712 1.811 ( -0.071 0.000 0.956) 0.959 1.893 ( 2.907 0.000 5.524) 6.242 1.908 ( 1.295 0.000 0.748) 1.496 1.920 ( 1.419 0.000 2.187) 2.607 1.944 ( -0.219 0.000 2.233) 2.244 2.015 ( 2.475 0.000 5.202) 5.761 2.024 ( -2.622 0.000 -2.776) 3.818 2.062 ( 1.363 0.000 0.369) 1.412 2.130 ( 0.435 0.000 -0.925) 1.023 2.172 ( 2.361 0.000 -2.146) 3.190 2.195 ( -3.193 0.000 1.325) 3.457 2.296 ( -1.763 0.000 -1.375) 2.236 2.306 ( -2.075 0.000 -3.172) 3.791 2.308 ( -2.952 0.000 -2.037) 3.587 2.361 ( -7.460 0.000 -5.564) 9.307 2.389 ( -0.649 0.000 0.229) 0.688 2.436 ( -3.205 0.000 -1.025) 3.365 2.440 ( 1.144 0.000 -1.181) 1.644 2.476 ( 1.573 0.000 5.395) 5.619 2.509 ( -1.050 0.000 0.529) 1.175 2.551 ( -0.558 0.000 1.103) 1.236 2.562 ( 2.558 0.000 -1.268) 2.855 2.617 ( 2.520 0.000 -0.751) 2.630 2.626 ( -2.353 0.000 -1.782) 2.952 2.691 ( -0.704 0.000 2.500) 2.597 2.782 ( -0.172 0.000 1.354) 1.365 2.788 ( 0.715 0.000 -2.508) 2.608 2.806 ( 0.221 0.000 -0.488) 0.536 2.824 ( -2.232 0.000 -1.414) 2.642 2.879 ( -1.985 0.000 0.988) 2.217 3.043 ( 2.148 0.000 -0.761) 2.279 3.067 ( -2.758 0.000 1.192) 3.005 3.127 ( -0.596 0.000 -1.155) 1.299 3.149 ( 0.375 0.000 -1.445) 1.493 3.186 ( 1.858 0.000 2.619) 3.211 3.270 ( 0.164 0.000 -0.055) 0.173 3.294 ( -2.858 0.000 -3.131) 4.239 3.333 ( 2.112 0.000 -1.309) 2.485 3.345 ( 1.495 0.000 0.762) 1.679 3.440 ( -1.758 0.000 1.314) 2.195 3.452 ( 0.814 0.000 -3.650) 3.739 3.491 ( 0.703 0.000 5.074) 5.122 3.493 ( 0.633 0.000 3.548) 3.604 3.555 ( -3.960 0.000 -2.679) 4.781 3.569 ( 0.447 0.000 5.047) 5.067 3.639 ( -4.020 0.000 -4.194) 5.809 3.641 ( 2.430 0.000 0.292) 2.448 3.744 ( -0.696 0.000 -1.436) 1.596 3.750 ( 0.892 0.000 -0.863) 1.241 3.760 ( 5.318 0.000 -1.461) 5.515 3.781 ( -2.762 0.000 0.023) 2.762 3.803 ( 0.649 0.000 -1.396) 1.539 3.917 ( -2.655 0.000 3.433) 4.340 3.936 ( -0.552 0.000 0.486) 0.736 3.964 ( 0.769 0.000 0.676) 1.024 4.013 ( -3.791 0.000 -0.214) 3.797 4.119 ( 1.810 0.000 1.620) 2.429 4.165 ( 0.249 0.000 -0.818) 0.855 4.328 ( 0.087 0.000 0.567) 0.573 4.337 ( 0.108 0.000 0.917) 0.923 4.350 ( -3.348 0.000 -2.347) 4.089 4.396 ( -1.244 0.000 0.601) 1.381 4.473 ( -0.213 0.000 0.983) 1.005 4.485 ( 1.369 0.000 0.534) 1.469 4.524 ( 0.881 0.000 -1.880) 2.076 4.536 ( 0.917 0.000 2.956) 3.095 4.557 ( 2.594 0.000 -0.117) 2.596 4.573 ( -0.598 0.000 3.001) 3.060 4.618 ( -0.564 0.000 -3.739) 3.782 4.702 ( -1.269 0.000 -0.251) 1.293 4.707 ( 2.896 0.000 -1.793) 3.406 4.771 ( -2.339 0.000 2.550) 3.460 4.778 ( 0.711 0.000 0.394) 0.813 4.958 ( 0.683 0.000 -0.223) 0.718 5.020 ( -0.317 0.000 -0.575) 0.656 5.118 ( 1.164 0.000 -1.470) 1.875 5.175 ( -0.829 0.000 -0.075) 0.833 5.188 ( -1.196 0.000 1.016) 1.570 5.280 ( -0.253 0.000 0.317) 0.405 5.298 ( -0.528 0.000 0.014) 0.528 5.389 ( 0.173 0.000 0.205) 0.268 5.391 ( 0.674 0.000 -0.603) 0.904 5.426 ( -0.670 0.000 -1.243) 1.412 5.503 ( -1.025 0.000 1.219) 1.593 5.571 ( -0.428 0.000 0.752) 0.865 5.709 ( 2.901 0.000 -0.395) 2.928 5.811 ( 4.014 0.000 3.222) 5.147 5.866 ( 2.080 0.000 -1.200) 2.401 5.867 ( 1.000 0.000 0.379) 1.070 5.978 ( 3.806 0.000 1.299) 4.022 6.005 ( -2.486 0.000 0.109) 2.489 6.038 ( -2.295 0.000 -4.403) 4.966 6.134 ( -1.940 0.000 -0.858) 2.121 6.175 ( -2.605 0.000 1.487) 2.999 6.254 ( 0.342 0.000 0.483) 0.592 6.315 ( -1.574 0.000 -1.250) 2.010 6.392 ( 0.592 0.000 -1.228) 1.363 6.400 ( -1.289 0.000 1.425) 1.921 6.416 ( 0.445 0.000 -1.908) 1.959 6.513 ( 0.482 0.000 2.303) 2.353 6.562 ( -0.179 0.000 -2.877) 2.882 6.644 ( -1.700 0.000 0.209) 1.712 6.648 ( -0.636 0.000 0.890) 1.094 6.955 ( 1.798 0.000 0.287) 1.821 7.011 ( 3.075 0.000 -1.072) 3.256 7.135 ( -5.898 0.000 -3.681) 6.952 7.220 ( -2.087 0.000 3.452) 4.034 7.222 ( 0.070 0.000 -0.062) 0.094 7.274 ( 0.582 0.000 2.448) 2.516 7.315 ( -1.840 0.000 -1.272) 2.237 7.330 ( -0.063 0.000 1.708) 1.709 7.332 ( -0.201 0.000 -1.970) 1.981 7.637 ( -0.508 0.000 -0.166) 0.534 7.682 ( 0.428 0.000 0.874) 0.973 7.812 ( 0.463 0.000 0.635) 0.786 7.852 ( -0.185 0.000 -0.178) 0.257 7.863 ( 0.937 0.000 0.444) 1.037 7.993 ( -1.368 0.000 -0.128) 1.374 8.008 ( -0.196 0.000 -0.850) 0.873 8.028 ( -0.770 0.000 1.493) 1.680 8.230 ( -0.168 0.000 0.098) 0.194 8.264 ( -0.418 0.000 0.014) 0.419 8.561 ( -0.454 0.000 -0.109) 0.467 8.701 ( 0.626 0.000 0.802) 1.017 8.781 ( 1.907 0.000 4.406) 4.801 8.840 ( -2.173 0.000 -6.693) 7.037 9.360 ( -0.334 0.000 0.575) 0.665 9.396 ( 0.278 0.000 -1.607) 1.631 9.402 ( -0.723 0.000 1.164) 1.370 9.457 ( 0.168 0.000 2.240) 2.246 9.480 ( -0.165 0.000 -0.482) 0.510 9.552 ( -0.296 0.000 -0.711) 0.771 9.612 ( -0.536 0.000 0.538) 0.760 9.684 ( 0.372 0.000 0.119) 0.391 9.717 ( 2.082 0.000 0.072) 2.083 9.763 ( -2.540 0.000 1.098) 2.767 9.774 ( 0.259 0.000 0.185) 0.318 9.795 ( -0.353 0.000 0.218) 0.415 9.811 ( 0.726 0.000 -3.006) 3.093 9.851 ( 1.075 0.000 1.354) 1.729 9.880 ( -0.784 0.000 -1.403) 1.607 9.907 ( -1.279 0.000 -1.715) 2.139 10.072 ( 0.362 0.000 -0.308) 0.476 10.081 ( 0.266 0.000 -0.019) 0.267 10.100 ( 0.055 0.000 0.470) 0.474 10.120 ( -0.004 0.000 0.415) 0.415 10.132 ( -0.658 0.000 -0.710) 0.968 10.137 ( 0.643 0.000 -0.517) 0.825 10.153 ( -0.187 0.000 0.431) 0.469 10.283 ( 0.467 0.000 -0.705) 0.845 10.363 ( 2.422 0.000 -2.803) 3.704 10.389 ( 2.663 0.000 0.970) 2.834 10.415 ( -2.511 0.000 2.158) 3.310 10.425 ( 0.016 0.000 0.845) 0.845 10.519 ( -0.862 0.000 2.065) 2.237 10.598 ( 0.442 0.000 -0.520) 0.683 10.624 ( 0.892 0.000 0.509) 1.027 10.792 ( -2.869 0.000 -2.004) 3.500 10.840 ( 1.613 0.000 -0.277) 1.636 10.928 ( 1.333 0.000 2.434) 2.775 10.939 ( -2.306 0.000 1.036) 2.528 10.992 ( -4.055 0.000 -1.730) 4.409 11.109 ( 0.178 0.000 -0.082) 0.196 11.150 ( -0.425 0.000 0.432) 0.606 11.166 ( 1.375 0.000 -0.051) 1.376 11.205 ( 0.499 0.000 0.814) 0.955 11.271 ( 0.273 0.000 -0.789) 0.835 11.366 ( -0.335 0.000 0.004) 0.335 11.506 ( 0.489 0.000 -0.629) 0.797 11.648 ( -5.555 0.000 0.649) 5.592 ======================= Grid point 5 (4/33) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 0.000 20.673 0.000) 20.673 0.450 ( 0.000 23.481 0.000) 23.481 0.872 ( 0.000 42.113 0.000) 42.113 1.403 ( 0.000 -0.051 0.000) 0.051 1.499 ( 0.000 -2.132 0.000) 2.132 1.519 ( 0.000 -13.206 0.000) 13.206 1.606 ( 0.000 2.523 0.000) 2.523 1.613 ( 0.000 -4.754 0.000) 4.754 1.641 ( 0.000 -0.315 0.000) 0.315 1.767 ( 0.000 0.276 0.000) 0.276 1.785 ( 0.000 -0.832 0.000) 0.832 1.834 ( 0.000 -3.281 0.000) 3.281 1.918 ( 0.000 -0.217 0.000) 0.217 1.922 ( 0.000 0.413 0.000) 0.413 1.929 ( 0.000 -4.117 0.000) 4.117 1.965 ( 0.000 0.770 0.000) 0.770 2.045 ( 0.000 1.648 0.000) 1.648 2.100 ( 0.000 0.516 0.000) 0.516 2.147 ( 0.000 -0.979 0.000) 0.979 2.163 ( 0.000 0.042 0.000) 0.042 2.233 ( 0.000 0.944 0.000) 0.944 2.271 ( 0.000 2.954 0.000) 2.954 2.306 ( 0.000 -0.100 0.000) 0.100 2.324 ( 0.000 7.361 0.000) 7.361 2.332 ( 0.000 -3.101 0.000) 3.101 2.439 ( 0.000 0.191 0.000) 0.191 2.453 ( 0.000 -2.771 0.000) 2.771 2.461 ( 0.000 1.464 0.000) 1.464 2.499 ( 0.000 1.151 0.000) 1.151 2.523 ( 0.000 1.431 0.000) 1.431 2.609 ( 0.000 1.670 0.000) 1.670 2.614 ( 0.000 0.162 0.000) 0.162 2.656 ( 0.000 -0.674 0.000) 0.674 2.701 ( 0.000 6.432 0.000) 6.432 2.714 ( 0.000 0.289 0.000) 0.289 2.764 ( 0.000 -0.156 0.000) 0.156 2.839 ( 0.000 -0.002 0.000) 0.002 2.863 ( 0.000 1.421 0.000) 1.421 2.931 ( 0.000 -2.524 0.000) 2.524 2.941 ( 0.000 -2.680 0.000) 2.680 3.072 ( 0.000 3.289 0.000) 3.289 3.087 ( 0.000 -3.457 0.000) 3.457 3.107 ( 0.000 3.040 0.000) 3.040 3.132 ( 0.000 -1.413 0.000) 1.413 3.196 ( 0.000 -0.300 0.000) 0.300 3.241 ( 0.000 -0.129 0.000) 0.129 3.263 ( 0.000 3.099 0.000) 3.099 3.286 ( 0.000 0.883 0.000) 0.883 3.339 ( 0.000 -12.342 0.000) 12.342 3.343 ( 0.000 2.476 0.000) 2.476 3.385 ( 0.000 -2.048 0.000) 2.048 3.472 ( 0.000 2.279 0.000) 2.279 3.482 ( 0.000 4.210 0.000) 4.210 3.494 ( 0.000 3.433 0.000) 3.433 3.497 ( 0.000 -0.794 0.000) 0.794 3.632 ( 0.000 1.711 0.000) 1.711 3.636 ( 0.000 -7.028 0.000) 7.028 3.694 ( 0.000 0.127 0.000) 0.127 3.698 ( 0.000 -8.046 0.000) 8.046 3.805 ( 0.000 0.178 0.000) 0.178 3.826 ( 0.000 -2.095 0.000) 2.095 3.876 ( 0.000 2.389 0.000) 2.389 3.948 ( 0.000 -0.136 0.000) 0.136 3.975 ( 0.000 1.482 0.000) 1.482 4.000 ( 0.000 3.139 0.000) 3.139 4.055 ( 0.000 1.524 0.000) 1.524 4.138 ( 0.000 -3.310 0.000) 3.310 4.177 ( 0.000 -2.713 0.000) 2.713 4.249 ( 0.000 -3.241 0.000) 3.241 4.310 ( 0.000 -5.944 0.000) 5.944 4.386 ( 0.000 -5.271 0.000) 5.271 4.404 ( 0.000 -0.530 0.000) 0.530 4.446 ( 0.000 0.312 0.000) 0.312 4.479 ( 0.000 0.574 0.000) 0.574 4.496 ( 0.000 -0.091 0.000) 0.091 4.506 ( 0.000 0.273 0.000) 0.273 4.508 ( 0.000 0.117 0.000) 0.117 4.589 ( 0.000 0.826 0.000) 0.826 4.611 ( 0.000 -1.378 0.000) 1.378 4.652 ( 0.000 2.479 0.000) 2.479 4.696 ( 0.000 -2.415 0.000) 2.415 4.769 ( 0.000 1.756 0.000) 1.756 4.795 ( 0.000 -0.793 0.000) 0.793 4.916 ( 0.000 -2.279 0.000) 2.279 5.027 ( 0.000 -0.496 0.000) 0.496 5.083 ( 0.000 1.773 0.000) 1.773 5.127 ( 0.000 -3.917 0.000) 3.917 5.265 ( 0.000 -3.972 0.000) 3.972 5.312 ( 0.000 0.108 0.000) 0.108 5.319 ( 0.000 -0.393 0.000) 0.393 5.383 ( 0.000 0.796 0.000) 0.796 5.415 ( 0.000 4.941 0.000) 4.941 5.481 ( 0.000 -0.645 0.000) 0.645 5.522 ( 0.000 -1.790 0.000) 1.790 5.593 ( 0.000 -0.402 0.000) 0.402 5.607 ( 0.000 -0.275 0.000) 0.275 5.654 ( 0.000 2.913 0.000) 2.913 5.806 ( 0.000 1.077 0.000) 1.077 5.885 ( 0.000 1.083 0.000) 1.083 5.973 ( 0.000 -3.163 0.000) 3.163 6.023 ( 0.000 3.030 0.000) 3.030 6.093 ( 0.000 1.308 0.000) 1.308 6.164 ( 0.000 -2.735 0.000) 2.735 6.204 ( 0.000 -1.532 0.000) 1.532 6.209 ( 0.000 -0.901 0.000) 0.901 6.239 ( 0.000 -0.778 0.000) 0.778 6.410 ( 0.000 -1.835 0.000) 1.835 6.443 ( 0.000 -0.551 0.000) 0.551 6.447 ( 0.000 6.796 0.000) 6.796 6.547 ( 0.000 2.997 0.000) 2.997 6.576 ( 0.000 0.201 0.000) 0.201 6.654 ( 0.000 3.345 0.000) 3.345 6.696 ( 0.000 -0.477 0.000) 0.477 6.777 ( 0.000 -1.730 0.000) 1.730 6.799 ( 0.000 0.363 0.000) 0.363 6.987 ( 0.000 -3.397 0.000) 3.397 7.173 ( 0.000 1.400 0.000) 1.400 7.256 ( 0.000 -1.365 0.000) 1.365 7.302 ( 0.000 6.616 0.000) 6.616 7.340 ( 0.000 2.123 0.000) 2.123 7.382 ( 0.000 6.044 0.000) 6.044 7.624 ( 0.000 -1.592 0.000) 1.592 7.693 ( 0.000 2.023 0.000) 2.023 7.739 ( 0.000 -3.175 0.000) 3.175 7.794 ( 0.000 -2.428 0.000) 2.428 7.863 ( 0.000 0.079 0.000) 0.079 7.975 ( 0.000 -2.496 0.000) 2.496 8.001 ( 0.000 0.618 0.000) 0.618 8.055 ( 0.000 0.219 0.000) 0.219 8.187 ( 0.000 -4.131 0.000) 4.131 8.299 ( 0.000 1.573 0.000) 1.573 8.345 ( 0.000 1.779 0.000) 1.779 8.606 ( 0.000 0.121 0.000) 0.121 8.682 ( 0.000 -1.410 0.000) 1.410 8.735 ( 0.000 0.478 0.000) 0.478 8.774 ( 0.000 -0.231 0.000) 0.231 9.291 ( 0.000 -0.856 0.000) 0.856 9.344 ( 0.000 -3.338 0.000) 3.338 9.389 ( 0.000 -0.634 0.000) 0.634 9.456 ( 0.000 -2.482 0.000) 2.482 9.565 ( 0.000 3.177 0.000) 3.177 9.586 ( 0.000 3.116 0.000) 3.116 9.639 ( 0.000 1.108 0.000) 1.108 9.643 ( 0.000 0.908 0.000) 0.908 9.722 ( 0.000 0.911 0.000) 0.911 9.771 ( 0.000 0.639 0.000) 0.639 9.795 ( 0.000 0.655 0.000) 0.655 9.811 ( 0.000 2.885 0.000) 2.885 9.849 ( 0.000 1.215 0.000) 1.215 9.927 ( 0.000 -0.010 0.000) 0.010 10.003 ( 0.000 3.462 0.000) 3.462 10.016 ( 0.000 -0.802 0.000) 0.802 10.071 ( 0.000 0.652 0.000) 0.652 10.080 ( 0.000 -3.015 0.000) 3.015 10.112 ( 0.000 0.451 0.000) 0.451 10.113 ( 0.000 -2.383 0.000) 2.383 10.139 ( 0.000 -0.306 0.000) 0.306 10.161 ( 0.000 2.202 0.000) 2.202 10.221 ( 0.000 1.124 0.000) 1.124 10.237 ( 0.000 1.693 0.000) 1.693 10.321 ( 0.000 0.844 0.000) 0.844 10.325 ( 0.000 -0.742 0.000) 0.742 10.405 ( 0.000 -1.848 0.000) 1.848 10.466 ( 0.000 -2.458 0.000) 2.458 10.539 ( 0.000 -0.076 0.000) 0.076 10.583 ( 0.000 0.433 0.000) 0.433 10.629 ( 0.000 0.815 0.000) 0.815 10.763 ( 0.000 -1.853 0.000) 1.853 10.928 ( 0.000 -0.011 0.000) 0.011 10.970 ( 0.000 -0.830 0.000) 0.830 11.007 ( 0.000 -0.260 0.000) 0.260 11.064 ( 0.000 0.128 0.000) 0.128 11.114 ( 0.000 2.814 0.000) 2.814 11.115 ( 0.000 1.311 0.000) 1.311 11.179 ( 0.000 0.053 0.000) 0.053 11.265 ( 0.000 -0.932 0.000) 0.932 11.304 ( 0.000 -2.244 0.000) 2.244 11.393 ( 0.000 -0.028 0.000) 0.028 11.458 ( 0.000 -1.741 0.000) 1.741 11.481 ( 0.000 -4.687 0.000) 4.687 ======================= Grid point 6 (5/33) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 13.739 12.652 -0.257) 18.679 0.628 ( 16.406 15.400 -7.051) 23.580 1.159 ( 22.514 27.548 4.164) 35.821 1.406 ( -0.540 -0.949 -1.462) 1.825 1.477 ( -3.882 2.259 -0.170) 4.495 1.549 ( 3.830 -8.075 -1.687) 9.095 1.574 ( 1.202 -8.688 -3.446) 9.424 1.610 ( -2.659 0.749 3.326) 4.323 1.690 ( 3.715 -1.976 -1.813) 4.581 1.745 ( -4.549 -4.519 2.489) 6.878 1.764 ( -1.933 1.668 -1.917) 3.192 1.812 ( -0.788 -3.923 0.645) 4.053 1.840 ( -0.226 2.564 1.311) 2.889 1.902 ( 0.098 -0.836 0.906) 1.237 1.981 ( 2.689 -0.415 -0.153) 2.725 2.004 ( 2.561 1.335 5.708) 6.397 2.022 ( -0.353 2.568 0.451) 2.631 2.085 ( -2.463 2.740 -1.640) 4.032 2.127 ( 0.075 -2.710 -1.681) 3.190 2.213 ( 0.586 -1.626 -1.549) 2.321 2.226 ( -3.395 1.967 1.613) 4.242 2.271 ( -0.026 -1.189 -0.851) 1.463 2.293 ( -0.001 0.898 2.731) 2.875 2.327 ( 0.944 0.282 -0.105) 0.990 2.368 ( 1.756 -1.415 1.448) 2.680 2.408 ( -2.562 -0.915 0.360) 2.744 2.443 ( -1.120 -0.977 -3.444) 3.751 2.466 ( 0.487 2.749 -0.434) 2.826 2.489 ( 0.821 1.311 1.506) 2.159 2.545 ( 1.043 1.848 -0.845) 2.284 2.557 ( -1.875 1.755 2.275) 3.431 2.592 ( -4.529 -1.049 -1.468) 4.875 2.648 ( -0.095 2.066 -2.286) 3.083 2.705 ( 0.698 2.597 -2.107) 3.417 2.743 ( 1.680 2.994 0.337) 3.450 2.752 ( -0.737 -1.983 0.189) 2.124 2.815 ( -4.458 1.968 2.760) 5.600 2.850 ( -0.319 1.060 0.238) 1.133 2.874 ( -0.035 0.092 -3.713) 3.714 2.959 ( -4.453 1.731 -2.521) 5.402 3.015 ( 0.359 -2.244 1.433) 2.687 3.068 ( -1.400 1.935 -1.068) 2.617 3.132 ( 0.232 -3.697 1.914) 4.170 3.176 ( 0.535 1.473 -5.515) 5.733 3.210 ( -0.178 1.279 -2.820) 3.102 3.248 ( 2.378 -3.761 0.864) 4.533 3.268 ( 0.501 1.332 4.166) 4.402 3.318 ( 0.506 1.245 1.002) 1.676 3.364 ( 0.687 -4.271 0.692) 4.380 3.366 ( 1.502 -8.864 -2.014) 9.213 3.389 ( 1.721 -0.134 4.005) 4.361 3.473 ( -1.572 0.961 5.655) 5.948 3.496 ( 1.713 2.229 1.867) 3.375 3.516 ( 1.776 -0.121 -1.562) 2.368 3.521 ( 3.915 1.837 -0.823) 4.402 3.619 ( -1.641 -5.173 -2.068) 5.808 3.632 ( -0.255 -1.459 -1.460) 2.080 3.691 ( -0.901 -2.517 2.626) 3.748 3.718 ( -0.260 -2.790 -1.813) 3.337 3.788 ( -0.692 0.437 -0.779) 1.130 3.815 ( 1.126 -3.979 0.324) 4.148 3.870 ( -2.662 2.996 -0.796) 4.086 3.914 ( -2.458 1.752 2.151) 3.706 3.938 ( -0.002 1.958 -1.223) 2.309 4.002 ( -0.503 1.418 -0.215) 1.520 4.096 ( -1.157 0.284 2.982) 3.212 4.100 ( -2.805 -0.099 -0.215) 2.815 4.137 ( 0.388 -2.652 0.166) 2.685 4.279 ( 1.203 -3.976 -1.797) 4.526 4.328 ( 0.541 -6.910 0.625) 6.960 4.330 ( -3.285 -3.043 -0.808) 4.550 4.391 ( -2.028 -3.207 -0.192) 3.800 4.419 ( -0.888 -0.428 0.591) 1.150 4.444 ( -2.322 -2.004 -1.006) 3.228 4.490 ( -0.739 0.253 -0.094) 0.786 4.509 ( 0.648 0.093 0.470) 0.805 4.539 ( -0.036 -1.973 -0.096) 1.975 4.580 ( 3.270 2.740 -0.154) 4.269 4.641 ( 0.586 1.767 0.351) 1.895 4.664 ( 2.196 -0.971 2.053) 3.159 4.726 ( 1.838 -1.076 0.704) 2.243 4.741 ( -2.510 0.829 0.892) 2.789 4.806 ( -0.260 -0.209 0.529) 0.626 4.915 ( 0.149 -2.578 -1.824) 3.162 5.046 ( 1.007 -0.432 -1.945) 2.232 5.094 ( 1.484 1.557 -1.250) 2.488 5.143 ( 1.209 -2.811 -0.526) 3.105 5.226 ( -2.631 -1.431 1.223) 3.235 5.302 ( -1.290 0.393 1.036) 1.701 5.329 ( 1.073 -0.756 -0.343) 1.357 5.389 ( -1.038 2.871 -1.117) 3.251 5.398 ( 0.762 1.871 -0.720) 2.145 5.438 ( -3.616 -2.066 -2.375) 4.794 5.456 ( -2.795 -1.421 -0.310) 3.150 5.619 ( 1.980 -0.882 0.165) 2.174 5.640 ( 1.573 0.886 1.430) 2.304 5.707 ( 3.788 1.033 3.813) 5.473 5.828 ( -0.139 2.784 -0.465) 2.826 5.872 ( 1.921 -1.043 4.156) 4.696 5.889 ( 0.172 0.946 -0.649) 1.160 6.040 ( -2.038 -1.414 -2.941) 3.847 6.078 ( -1.739 -0.475 -3.721) 4.135 6.184 ( 0.107 -1.568 -1.363) 2.080 6.206 ( -0.636 -0.478 0.054) 0.797 6.218 ( -0.578 -0.617 1.352) 1.595 6.338 ( 4.582 -3.910 -3.454) 6.943 6.402 ( -1.101 0.082 1.802) 2.114 6.430 ( -0.613 1.111 0.990) 1.609 6.456 ( 0.580 4.373 -2.284) 4.968 6.536 ( -1.212 2.822 3.312) 4.517 6.570 ( -0.665 0.134 -2.604) 2.691 6.669 ( -0.961 1.296 -0.347) 1.650 6.711 ( -2.269 0.202 0.783) 2.408 6.785 ( 6.138 -9.878 5.565) 12.892 6.876 ( 3.947 -2.249 1.152) 4.687 6.963 ( -1.648 -3.539 -1.509) 4.186 7.182 ( 0.761 1.031 -0.481) 1.369 7.263 ( 0.777 -0.963 0.018) 1.238 7.302 ( 0.144 5.054 -0.702) 5.105 7.349 ( 0.453 3.788 2.519) 4.571 7.395 ( 1.463 6.186 -0.995) 6.434 7.610 ( -1.366 -2.284 0.544) 2.716 7.694 ( -0.176 2.595 -0.119) 2.603 7.749 ( -0.156 -1.037 -2.366) 2.588 7.791 ( -0.765 -1.599 1.305) 2.201 7.869 ( 0.186 0.667 -0.523) 0.868 7.924 ( -7.996 7.074 -3.221) 11.151 7.959 ( -1.777 -3.733 2.050) 4.615 8.008 ( -1.176 -1.015 -2.287) 2.765 8.097 ( -4.948 1.208 3.973) 6.460 8.281 ( -1.063 3.679 0.730) 3.899 8.303 ( -1.442 2.592 1.593) 3.367 8.602 ( -1.292 1.712 0.216) 2.155 8.669 ( 0.903 -0.163 0.849) 1.250 8.723 ( 0.605 -1.639 1.933) 2.606 8.831 ( 1.441 -4.021 -6.839) 8.063 9.307 ( 0.315 -2.355 0.745) 2.490 9.344 ( 0.132 -3.648 0.498) 3.685 9.403 ( 1.354 -1.079 0.435) 1.785 9.451 ( -0.425 -1.767 0.603) 1.915 9.540 ( -1.392 4.433 -0.756) 4.708 9.597 ( -0.174 1.815 0.748) 1.971 9.640 ( 0.019 1.351 -0.254) 1.375 9.657 ( 1.156 1.012 0.543) 1.630 9.741 ( 1.408 1.396 -0.042) 1.983 9.761 ( -1.132 -0.239 -0.489) 1.256 9.791 ( -0.157 1.210 0.291) 1.254 9.819 ( 0.562 2.651 -0.296) 2.726 9.840 ( -0.273 3.030 0.445) 3.074 9.920 ( -0.627 0.741 -1.621) 1.889 9.956 ( -2.843 3.786 -0.594) 4.771 10.004 ( -5.214 3.818 -1.064) 6.549 10.052 ( 0.522 0.572 1.326) 1.536 10.064 ( 0.174 -1.028 -0.482) 1.148 10.087 ( -0.034 -0.405 0.055) 0.410 10.115 ( -0.583 -1.535 -0.128) 1.647 10.140 ( -0.004 -0.607 0.370) 0.711 10.158 ( -0.151 3.517 -2.061) 4.079 10.164 ( -1.752 0.771 -1.218) 2.269 10.270 ( 1.790 0.081 -1.381) 2.262 10.308 ( -0.249 -1.597 -0.677) 1.752 10.356 ( 1.236 -0.001 1.132) 1.676 10.383 ( 0.675 -0.029 0.590) 0.897 10.460 ( 0.587 0.273 -4.129) 4.179 10.543 ( -0.959 -0.737 5.357) 5.492 10.564 ( -0.664 -0.074 0.764) 1.015 10.627 ( 1.175 2.117 0.056) 2.422 10.785 ( 1.570 -2.142 -0.381) 2.683 10.884 ( -1.566 -1.311 0.515) 2.107 10.898 ( -4.701 -0.354 -1.866) 5.071 11.012 ( -2.350 1.203 -0.348) 2.663 11.072 ( -3.028 -0.301 -0.752) 3.134 11.103 ( 0.642 0.529 0.614) 1.034 11.132 ( 2.074 1.667 0.266) 2.674 11.169 ( -2.606 0.551 1.644) 3.130 11.187 ( 0.082 -0.188 0.640) 0.672 11.275 ( 0.567 0.441 -1.093) 1.308 11.379 ( -0.792 0.087 0.553) 0.970 11.472 ( 0.922 -2.007 -1.116) 2.474 11.643 ( 0.353 -11.660 3.370) 12.142 ======================= Grid point 7 (6/33) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 11.336 6.575 1.171) 13.157 0.958 ( 16.915 6.247 -2.269) 18.174 1.283 ( -6.950 2.842 -3.101) 8.124 1.323 ( -12.426 1.616 1.623) 12.636 1.458 ( 0.732 -0.283 -0.553) 0.960 1.600 ( 0.398 -7.544 0.168) 7.556 1.657 ( 5.302 -3.349 0.818) 6.325 1.700 ( 5.249 0.672 0.226) 5.297 1.716 ( 2.367 0.099 -1.583) 2.849 1.734 ( 1.753 -2.381 -4.088) 5.045 1.766 ( 9.654 4.736 2.567) 11.056 1.819 ( 0.376 -5.651 -0.668) 5.703 1.890 ( 3.939 -1.378 5.602) 6.985 1.929 ( 0.649 1.983 2.838) 3.522 1.995 ( -1.632 4.715 -3.652) 6.183 2.025 ( 0.066 2.564 0.246) 2.577 2.050 ( 0.513 3.390 2.577) 4.289 2.089 ( 1.111 1.527 2.507) 3.138 2.130 ( 0.760 -2.808 2.303) 3.710 2.134 ( -2.795 0.343 -1.322) 3.111 2.206 ( -1.123 1.422 -1.981) 2.685 2.242 ( 0.283 -1.683 -0.032) 1.707 2.300 ( -0.326 -2.079 0.112) 2.107 2.344 ( -4.288 -0.096 -3.887) 5.788 2.347 ( -0.114 -0.066 3.083) 3.086 2.383 ( -0.078 -2.477 0.109) 2.481 2.402 ( -2.409 -0.493 -0.911) 2.622 2.423 ( -3.467 -2.521 -2.008) 4.733 2.459 ( -4.665 3.865 -1.058) 6.149 2.518 ( -0.153 -0.629 2.365) 2.452 2.572 ( 0.564 4.347 0.926) 4.481 2.585 ( 0.108 2.562 -1.201) 2.832 2.633 ( 0.531 1.427 -1.216) 1.949 2.693 ( 2.148 2.420 -3.254) 4.589 2.746 ( -2.382 2.954 3.071) 4.881 2.763 ( 0.556 -2.121 2.944) 3.671 2.789 ( 2.375 2.785 -0.774) 3.741 2.840 ( 0.108 0.616 -2.191) 2.278 2.857 ( -1.011 4.062 -2.237) 4.746 2.890 ( -3.130 1.504 0.858) 3.576 3.002 ( 1.043 -3.075 1.495) 3.575 3.073 ( -3.755 -1.610 -0.680) 4.142 3.114 ( 2.042 -1.108 -0.248) 2.336 3.161 ( -1.234 0.441 0.503) 1.403 3.215 ( 1.640 3.615 -2.955) 4.949 3.270 ( 0.052 -2.632 0.348) 2.655 3.283 ( 0.056 0.123 0.412) 0.434 3.307 ( -2.333 -0.721 -1.215) 2.727 3.358 ( 1.881 -2.238 -0.285) 2.937 3.391 ( -0.847 -3.003 2.827) 4.210 3.421 ( 0.393 -1.284 1.345) 1.900 3.478 ( 0.520 -5.123 3.456) 6.201 3.522 ( -0.599 -0.745 1.023) 1.400 3.538 ( 0.323 -0.991 -2.582) 2.784 3.559 ( 0.224 0.092 -3.556) 3.565 3.601 ( 0.542 -2.437 1.358) 2.842 3.616 ( -0.249 -0.686 -0.678) 0.996 3.685 ( 1.524 -0.023 1.125) 1.895 3.717 ( -0.184 0.004 0.170) 0.251 3.778 ( 0.404 0.652 -2.019) 2.160 3.816 ( -1.555 -3.189 -1.919) 4.034 3.853 ( 0.712 -0.689 1.507) 1.803 3.898 ( 0.450 0.075 1.409) 1.481 3.938 ( -0.654 4.085 2.507) 4.838 3.974 ( -1.599 1.448 -1.737) 2.770 3.998 ( -3.218 -2.126 -0.336) 3.871 4.132 ( 1.214 0.467 1.334) 1.863 4.147 ( -0.169 -1.034 0.487) 1.156 4.258 ( -1.871 -5.270 -1.173) 5.714 4.291 ( -0.082 -4.504 -0.807) 4.576 4.329 ( -0.091 -1.799 0.098) 1.804 4.383 ( 0.920 -5.601 1.479) 5.866 4.403 ( -1.200 -1.803 -0.803) 2.310 4.417 ( -0.536 -3.675 -0.553) 3.755 4.460 ( -0.715 -1.139 0.399) 1.403 4.538 ( 1.103 -0.818 0.846) 1.613 4.552 ( 0.288 -0.727 -0.647) 1.015 4.631 ( 2.216 3.330 -0.085) 4.001 4.658 ( -0.006 0.853 0.345) 0.921 4.693 ( -0.832 0.285 -0.159) 0.894 4.718 ( 1.452 -2.951 0.454) 3.320 4.748 ( 0.474 -0.210 1.643) 1.723 4.781 ( -2.004 0.768 -0.342) 2.173 4.915 ( 0.207 -3.484 -0.513) 3.528 5.048 ( 0.038 2.029 -0.839) 2.196 5.124 ( 1.479 0.942 -1.063) 2.050 5.157 ( 0.081 -0.869 -0.146) 0.885 5.192 ( -0.934 -0.554 0.485) 1.189 5.286 ( -0.567 0.817 0.728) 1.232 5.341 ( 0.091 -1.504 0.088) 1.509 5.365 ( -0.926 3.863 -0.370) 3.990 5.379 ( -0.849 -6.258 -0.701) 6.354 5.400 ( -0.713 -1.325 -1.170) 1.906 5.442 ( 0.655 1.956 0.375) 2.097 5.617 ( -1.193 1.590 1.259) 2.353 5.697 ( 2.930 -1.307 0.274) 3.220 5.789 ( 2.510 -1.412 1.462) 3.230 5.848 ( 1.062 -1.945 0.547) 2.282 5.887 ( 0.994 1.183 -0.623) 1.667 5.949 ( 2.727 -2.703 1.812) 4.245 5.985 ( -2.349 -2.465 -1.724) 3.817 6.022 ( -2.368 0.295 -1.281) 2.708 6.136 ( -2.023 0.201 -1.465) 2.506 6.213 ( 0.097 2.813 0.775) 2.919 6.223 ( 0.100 -2.084 0.778) 2.226 6.330 ( -1.692 1.012 -1.052) 2.235 6.410 ( 0.854 0.435 0.056) 0.960 6.421 ( -0.476 1.426 0.250) 1.524 6.466 ( 0.845 4.448 -1.464) 4.758 6.527 ( -0.573 -0.321 3.192) 3.259 6.550 ( -0.356 1.845 -2.683) 3.275 6.643 ( -0.771 0.471 -0.872) 1.256 6.686 ( -0.678 2.229 0.733) 2.442 6.864 ( 0.929 -9.532 2.112) 9.808 6.928 ( 0.144 -5.682 0.355) 5.695 6.947 ( 1.120 -4.542 -0.526) 4.707 7.193 ( 0.322 0.641 -0.280) 0.770 7.284 ( 0.935 -1.087 0.161) 1.442 7.302 ( 0.019 3.380 -0.488) 3.415 7.373 ( 1.228 6.594 1.859) 6.960 7.434 ( 3.114 7.779 -0.810) 8.418 7.566 ( -7.532 7.604 -0.195) 10.705 7.593 ( -3.022 0.781 -1.569) 3.494 7.715 ( -0.052 1.317 0.225) 1.337 7.807 ( 1.061 -0.644 0.761) 1.456 7.854 ( 0.191 0.695 -0.051) 0.723 7.886 ( 0.080 1.793 0.629) 1.902 7.934 ( -0.821 -4.836 -0.094) 4.906 7.990 ( -0.392 -1.115 -0.788) 1.421 8.035 ( -2.051 -0.198 0.456) 2.111 8.271 ( -0.297 3.271 0.346) 3.303 8.286 ( -0.571 1.884 0.305) 1.992 8.583 ( -0.458 2.249 -0.024) 2.295 8.691 ( 0.579 -0.835 0.581) 1.171 8.754 ( 1.499 -2.502 3.786) 4.779 8.805 ( -1.424 -3.023 -5.499) 6.434 9.306 ( -0.174 -2.316 0.036) 2.323 9.348 ( 0.037 -3.633 0.191) 3.638 9.432 ( 1.141 -1.917 -0.274) 2.248 9.446 ( -0.392 -1.327 1.000) 1.707 9.521 ( -0.408 5.240 -0.246) 5.262 9.585 ( -0.597 2.071 0.044) 2.155 9.642 ( 0.125 2.878 -0.208) 2.888 9.671 ( -0.011 -0.006 0.190) 0.190 9.733 ( -0.798 -0.681 -0.174) 1.064 9.759 ( 0.314 2.031 0.575) 2.134 9.800 ( 0.352 2.364 -0.124) 2.393 9.827 ( 0.853 2.286 -0.424) 2.477 9.851 ( 0.697 4.337 0.599) 4.433 9.892 ( -1.519 1.581 -1.760) 2.812 9.915 ( -0.706 4.687 0.634) 4.782 9.940 ( -1.540 2.435 -0.754) 2.978 10.054 ( 0.344 -2.388 -0.633) 2.494 10.075 ( -0.117 0.241 0.324) 0.420 10.093 ( 0.512 -1.128 0.995) 1.589 10.103 ( -0.428 -1.614 -0.316) 1.699 10.127 ( -0.744 0.041 -0.872) 1.147 10.146 ( -0.064 -0.766 0.343) 0.842 10.159 ( 0.068 2.274 -0.363) 2.304 10.288 ( 0.245 0.078 -0.449) 0.518 10.319 ( 1.282 -3.121 -0.364) 3.393 10.358 ( -0.629 -2.268 1.295) 2.686 10.428 ( 1.937 1.751 0.563) 2.671 10.468 ( 1.039 1.875 -2.575) 3.350 10.523 ( -1.731 0.443 3.603) 4.022 10.572 ( 0.498 -1.734 -0.103) 1.807 10.653 ( 0.939 2.209 0.098) 2.402 10.799 ( -1.822 0.153 -1.551) 2.397 10.822 ( 0.666 -1.466 -0.631) 1.730 10.887 ( 0.765 -2.563 1.794) 3.221 10.952 ( -2.578 0.117 0.341) 2.603 10.987 ( -3.965 -0.489 -1.245) 4.185 11.110 ( 0.166 0.200 0.047) 0.264 11.148 ( -0.482 -0.330 0.552) 0.804 11.167 ( 0.912 0.244 -0.039) 0.945 11.199 ( 0.437 -0.598 0.590) 0.946 11.286 ( 0.608 1.512 -0.553) 1.721 11.368 ( -0.338 0.416 0.113) 0.548 11.485 ( 0.521 -2.010 -0.502) 2.137 11.582 ( -3.519 -6.063 0.526) 7.030 ======================= Grid point 10 (7/33) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 0.000 21.272 0.000) 21.272 0.892 ( 0.000 22.321 0.000) 22.321 1.186 ( 0.000 -19.325 0.000) 19.325 1.274 ( 0.000 -15.980 0.000) 15.980 1.398 ( 0.000 7.241 0.000) 7.241 1.456 ( 0.000 -1.976 0.000) 1.976 1.603 ( 0.000 3.938 0.000) 3.938 1.633 ( 0.000 -0.057 0.000) 0.057 1.726 ( 0.000 6.638 0.000) 6.638 1.755 ( 0.000 -1.646 0.000) 1.646 1.774 ( 0.000 1.075 0.000) 1.075 1.801 ( 0.000 1.845 0.000) 1.845 1.884 ( 0.000 -0.452 0.000) 0.452 1.903 ( 0.000 -1.357 0.000) 1.357 1.958 ( 0.000 6.400 0.000) 6.400 2.050 ( 0.000 4.011 0.000) 4.011 2.074 ( 0.000 -4.655 0.000) 4.655 2.085 ( 0.000 -1.842 0.000) 1.842 2.099 ( 0.000 7.337 0.000) 7.337 2.178 ( 0.000 3.124 0.000) 3.124 2.209 ( 0.000 -4.422 0.000) 4.422 2.282 ( 0.000 1.777 0.000) 1.777 2.292 ( 0.000 -1.425 0.000) 1.425 2.336 ( 0.000 2.516 0.000) 2.516 2.386 ( 0.000 -3.425 0.000) 3.425 2.414 ( 0.000 -2.253 0.000) 2.253 2.452 ( 0.000 2.133 0.000) 2.133 2.535 ( 0.000 -1.960 0.000) 1.960 2.537 ( 0.000 3.897 0.000) 3.897 2.601 ( 0.000 6.074 0.000) 6.074 2.617 ( 0.000 -3.725 0.000) 3.725 2.629 ( 0.000 6.562 0.000) 6.562 2.697 ( 0.000 -5.839 0.000) 5.839 2.705 ( 0.000 4.934 0.000) 4.934 2.740 ( 0.000 -0.989 0.000) 0.989 2.792 ( 0.000 -3.230 0.000) 3.230 2.807 ( 0.000 4.758 0.000) 4.758 2.876 ( 0.000 -2.604 0.000) 2.604 2.905 ( 0.000 -9.863 0.000) 9.863 2.935 ( 0.000 4.581 0.000) 4.581 2.949 ( 0.000 -4.983 0.000) 4.983 2.983 ( 0.000 -7.312 0.000) 7.312 3.123 ( 0.000 3.217 0.000) 3.217 3.155 ( 0.000 0.214 0.000) 0.214 3.177 ( 0.000 2.541 0.000) 2.541 3.185 ( 0.000 -0.795 0.000) 0.795 3.209 ( 0.000 -2.264 0.000) 2.264 3.278 ( 0.000 -7.145 0.000) 7.145 3.334 ( 0.000 4.634 0.000) 4.634 3.399 ( 0.000 4.735 0.000) 4.735 3.429 ( 0.000 4.088 0.000) 4.088 3.461 ( 0.000 -4.620 0.000) 4.620 3.498 ( 0.000 -0.956 0.000) 0.956 3.499 ( 0.000 -0.697 0.000) 0.697 3.543 ( 0.000 0.675 0.000) 0.675 3.568 ( 0.000 0.167 0.000) 0.167 3.639 ( 0.000 2.647 0.000) 2.647 3.650 ( 0.000 2.097 0.000) 2.097 3.746 ( 0.000 -4.152 0.000) 4.152 3.751 ( 0.000 0.315 0.000) 0.315 3.783 ( 0.000 0.725 0.000) 0.725 3.885 ( 0.000 -4.548 0.000) 4.548 3.947 ( 0.000 0.971 0.000) 0.971 3.970 ( 0.000 -0.525 0.000) 0.525 4.046 ( 0.000 1.278 0.000) 1.278 4.073 ( 0.000 -2.434 0.000) 2.434 4.121 ( 0.000 2.922 0.000) 2.922 4.150 ( 0.000 2.238 0.000) 2.238 4.174 ( 0.000 -3.948 0.000) 3.948 4.222 ( 0.000 -3.345 0.000) 3.345 4.325 ( 0.000 0.056 0.000) 0.056 4.368 ( 0.000 -2.939 0.000) 2.939 4.443 ( 0.000 -0.657 0.000) 0.657 4.444 ( 0.000 -1.151 0.000) 1.151 4.481 ( 0.000 -1.013 0.000) 1.013 4.491 ( 0.000 -1.538 0.000) 1.538 4.563 ( 0.000 2.402 0.000) 2.402 4.582 ( 0.000 -0.613 0.000) 0.613 4.601 ( 0.000 0.869 0.000) 0.869 4.640 ( 0.000 -2.393 0.000) 2.393 4.717 ( 0.000 3.088 0.000) 3.088 4.769 ( 0.000 -2.120 0.000) 2.120 4.814 ( 0.000 2.591 0.000) 2.591 4.864 ( 0.000 -2.725 0.000) 2.725 5.029 ( 0.000 0.744 0.000) 0.744 5.062 ( 0.000 -2.688 0.000) 2.688 5.124 ( 0.000 2.634 0.000) 2.634 5.187 ( 0.000 -3.872 0.000) 3.872 5.315 ( 0.000 0.008 0.000) 0.008 5.316 ( 0.000 0.084 0.000) 0.084 5.411 ( 0.000 2.131 0.000) 2.131 5.451 ( 0.000 -1.440 0.000) 1.440 5.484 ( 0.000 0.781 0.000) 0.781 5.496 ( 0.000 -0.885 0.000) 0.885 5.605 ( 0.000 1.228 0.000) 1.228 5.611 ( 0.000 0.424 0.000) 0.424 5.717 ( 0.000 3.905 0.000) 3.905 5.792 ( 0.000 -2.899 0.000) 2.899 5.899 ( 0.000 0.740 0.000) 0.740 5.922 ( 0.000 -1.830 0.000) 1.830 6.073 ( 0.000 1.785 0.000) 1.785 6.110 ( 0.000 -2.481 0.000) 2.481 6.135 ( 0.000 3.228 0.000) 3.228 6.189 ( 0.000 -0.015 0.000) 0.015 6.191 ( 0.000 -1.073 0.000) 1.073 6.205 ( 0.000 -2.587 0.000) 2.587 6.405 ( 0.000 0.966 0.000) 0.966 6.428 ( 0.000 -1.091 0.000) 1.091 6.570 ( 0.000 4.360 0.000) 4.360 6.584 ( 0.000 0.425 0.000) 0.425 6.591 ( 0.000 2.623 0.000) 2.623 6.666 ( 0.000 -2.766 0.000) 2.766 6.711 ( 0.000 1.853 0.000) 1.853 6.743 ( 0.000 -1.721 0.000) 1.721 6.830 ( 0.000 3.323 0.000) 3.323 6.910 ( 0.000 -4.413 0.000) 4.413 7.204 ( 0.000 1.558 0.000) 1.558 7.230 ( 0.000 -1.301 0.000) 1.301 7.398 ( 0.000 3.509 0.000) 3.509 7.429 ( 0.000 3.136 0.000) 3.136 7.494 ( 0.000 6.180 0.000) 6.180 7.629 ( 0.000 3.906 0.000) 3.906 7.636 ( 0.000 -7.073 0.000) 7.073 7.734 ( 0.000 -4.676 0.000) 4.676 7.739 ( 0.000 2.836 0.000) 2.836 7.810 ( 0.000 -4.668 0.000) 4.668 7.980 ( 0.000 2.673 0.000) 2.673 8.010 ( 0.000 0.007 0.000) 0.007 8.054 ( 0.000 0.394 0.000) 0.394 8.101 ( 0.000 -4.350 0.000) 4.350 8.339 ( 0.000 2.107 0.000) 2.107 8.363 ( 0.000 -0.144 0.000) 0.144 8.616 ( 0.000 1.082 0.000) 1.082 8.647 ( 0.000 -1.961 0.000) 1.961 8.749 ( 0.000 0.886 0.000) 0.886 8.765 ( 0.000 -0.730 0.000) 0.730 9.278 ( 0.000 -0.224 0.000) 0.224 9.292 ( 0.000 -1.798 0.000) 1.798 9.387 ( 0.000 0.522 0.000) 0.522 9.411 ( 0.000 -1.951 0.000) 1.951 9.621 ( 0.000 2.133 0.000) 2.133 9.631 ( 0.000 0.976 0.000) 0.976 9.659 ( 0.000 0.965 0.000) 0.965 9.670 ( 0.000 1.227 0.000) 1.227 9.729 ( 0.000 0.188 0.000) 0.188 9.760 ( 0.000 -1.861 0.000) 1.861 9.817 ( 0.000 2.130 0.000) 2.130 9.847 ( 0.000 -0.029 0.000) 0.029 9.894 ( 0.000 2.613 0.000) 2.613 9.927 ( 0.000 -0.478 0.000) 0.478 10.011 ( 0.000 -0.305 0.000) 0.305 10.038 ( 0.000 -1.825 0.000) 1.825 10.054 ( 0.000 2.298 0.000) 2.298 10.083 ( 0.000 2.271 0.000) 2.271 10.114 ( 0.000 -1.343 0.000) 1.343 10.118 ( 0.000 1.885 0.000) 1.885 10.124 ( 0.000 -0.213 0.000) 0.213 10.171 ( 0.000 -2.088 0.000) 2.088 10.239 ( 0.000 1.419 0.000) 1.419 10.255 ( 0.000 0.098 0.000) 0.098 10.312 ( 0.000 -0.188 0.000) 0.188 10.327 ( 0.000 -1.132 0.000) 1.132 10.388 ( 0.000 1.125 0.000) 1.125 10.423 ( 0.000 -1.998 0.000) 1.998 10.545 ( 0.000 0.848 0.000) 0.848 10.570 ( 0.000 -1.450 0.000) 1.450 10.662 ( 0.000 2.538 0.000) 2.538 10.716 ( 0.000 -2.842 0.000) 2.842 10.932 ( 0.000 0.523 0.000) 0.523 10.949 ( 0.000 -1.179 0.000) 1.179 11.011 ( 0.000 0.935 0.000) 0.935 11.040 ( 0.000 -1.838 0.000) 1.838 11.149 ( 0.000 2.003 0.000) 2.003 11.173 ( 0.000 -0.055 0.000) 0.055 11.214 ( 0.000 5.236 0.000) 5.236 11.245 ( 0.000 -0.850 0.000) 0.850 11.264 ( 0.000 -0.631 0.000) 0.631 11.362 ( 0.000 -7.082 0.000) 7.082 11.397 ( 0.000 0.680 0.000) 0.680 11.422 ( 0.000 -1.837 0.000) 1.837 ======================= Grid point 11 (8/33) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 6.250 19.038 -3.195) 20.290 0.970 ( 7.931 18.810 -3.469) 20.707 1.219 ( 3.470 -18.771 -2.012) 19.195 1.300 ( 2.543 -13.330 -1.365) 13.639 1.435 ( 1.525 2.301 0.710) 2.851 1.477 ( 1.231 -2.240 -0.855) 2.695 1.560 ( -3.265 2.022 -0.957) 3.958 1.628 ( -5.012 -5.023 1.313) 7.216 1.658 ( -0.261 2.512 0.800) 2.649 1.734 ( -0.891 -3.599 -1.275) 3.921 1.788 ( 2.380 6.482 -4.116) 8.039 1.817 ( 0.613 1.204 -3.340) 3.603 1.880 ( 0.135 3.178 2.654) 4.142 1.945 ( 2.818 -2.746 2.972) 4.932 1.993 ( 1.936 8.248 2.451) 8.819 2.043 ( 0.408 -0.228 -0.107) 0.480 2.068 ( 1.202 1.191 -2.566) 3.073 2.105 ( 2.055 2.251 3.119) 4.361 2.115 ( 0.129 3.080 -0.786) 3.181 2.179 ( -0.250 5.830 4.906) 7.624 2.213 ( -0.044 -4.854 1.418) 5.057 2.268 ( -1.927 1.430 2.952) 3.804 2.293 ( -0.141 -0.027 -0.660) 0.676 2.347 ( 0.996 -0.905 -4.005) 4.225 2.369 ( -1.206 0.207 1.860) 2.226 2.395 ( -1.956 -0.555 0.102) 2.036 2.427 ( -2.116 0.027 -1.655) 2.687 2.510 ( -2.710 -0.595 -0.286) 2.789 2.547 ( -1.459 1.343 0.776) 2.130 2.549 ( -1.421 0.033 0.267) 1.447 2.614 ( -0.377 6.744 0.405) 6.767 2.659 ( 2.015 1.487 0.816) 2.634 2.681 ( 0.796 3.888 -2.543) 4.713 2.702 ( -0.216 -2.486 -0.671) 2.584 2.754 ( 0.771 1.946 1.418) 2.528 2.777 ( 0.338 -1.082 -1.949) 2.255 2.814 ( -2.327 -2.016 1.311) 3.346 2.852 ( 2.689 0.828 -1.140) 3.036 2.913 ( -1.933 3.143 3.339) 4.977 2.956 ( -0.511 -5.193 -2.106) 5.627 2.974 ( 0.965 -5.860 -1.352) 6.091 3.024 ( 3.064 -10.558 3.310) 11.481 3.051 ( -2.146 2.774 0.536) 3.548 3.135 ( -1.687 -4.974 2.666) 5.890 3.155 ( -1.121 2.383 -1.470) 3.015 3.213 ( 1.216 2.276 -1.226) 2.857 3.241 ( -0.585 -4.402 -1.892) 4.827 3.259 ( 0.098 -1.290 0.252) 1.318 3.336 ( 0.289 3.580 3.144) 4.774 3.410 ( -1.907 2.252 3.356) 4.469 3.429 ( 0.839 0.543 0.684) 1.211 3.467 ( 0.222 -2.398 0.108) 2.411 3.482 ( -1.147 -0.840 -2.508) 2.883 3.515 ( -0.303 -0.826 -2.428) 2.582 3.564 ( 2.177 1.532 -1.520) 3.065 3.594 ( 2.083 -0.480 -1.991) 2.921 3.603 ( -0.217 4.641 3.960) 6.105 3.674 ( -1.547 2.339 -1.861) 3.366 3.717 ( 1.121 -4.886 1.630) 5.271 3.754 ( -1.463 -4.420 -2.641) 5.353 3.770 ( 0.344 4.506 -1.444) 4.744 3.879 ( -0.438 -4.142 1.138) 4.317 3.931 ( -1.623 -0.367 0.888) 1.886 3.942 ( -2.513 0.475 -0.535) 2.613 4.019 ( -1.502 0.758 -0.458) 1.743 4.059 ( -1.691 -2.615 0.460) 3.148 4.106 ( -1.766 2.369 2.120) 3.636 4.168 ( 0.693 0.616 1.622) 1.868 4.192 ( 1.274 -2.092 -2.481) 3.487 4.235 ( 1.043 -2.054 -2.136) 3.142 4.305 ( -1.336 1.033 -1.441) 2.220 4.341 ( -0.786 -2.253 -1.724) 2.943 4.395 ( -3.519 -1.876 0.708) 4.050 4.407 ( -2.544 -2.134 1.156) 3.516 4.489 ( -1.918 1.166 0.678) 2.345 4.512 ( -1.307 -0.528 -0.320) 1.446 4.523 ( 1.392 0.527 -1.183) 1.901 4.565 ( 2.033 -3.839 1.382) 4.559 4.654 ( 2.315 1.960 0.124) 3.036 4.675 ( 1.351 0.027 1.271) 1.855 4.726 ( 0.610 0.908 1.097) 1.550 4.747 ( -2.932 -0.751 2.517) 3.936 4.813 ( 0.376 1.661 -1.237) 2.105 4.860 ( -0.178 -2.872 -1.513) 3.251 5.047 ( 1.940 1.110 -1.680) 2.796 5.088 ( 2.230 -2.804 -0.638) 3.639 5.135 ( 1.015 2.357 -0.073) 2.567 5.183 ( -0.466 -2.573 0.769) 2.726 5.306 ( -0.633 0.212 0.015) 0.668 5.313 ( -0.091 -0.538 -0.738) 0.918 5.403 ( -2.908 0.402 -1.938) 3.517 5.415 ( -3.400 -0.567 -2.184) 4.081 5.454 ( -0.475 0.996 -0.542) 1.230 5.464 ( -0.282 1.236 -0.323) 1.308 5.610 ( 1.297 1.001 0.332) 1.672 5.640 ( 1.228 -1.085 1.587) 2.281 5.749 ( 2.122 3.300 3.421) 5.206 5.822 ( 0.837 -3.812 3.351) 5.144 5.869 ( -2.092 1.390 -0.508) 2.563 5.887 ( -1.289 -0.704 -0.611) 1.591 6.042 ( -2.474 1.233 -0.748) 2.863 6.067 ( -2.395 -1.056 -0.511) 2.667 6.162 ( 0.617 -0.088 -1.428) 1.558 6.180 ( -1.764 -1.602 -0.396) 2.416 6.226 ( 2.933 1.303 -0.205) 3.216 6.267 ( 5.684 -3.016 -1.005) 6.513 6.413 ( 0.228 0.830 1.713) 1.917 6.426 ( -0.304 -0.456 1.076) 1.208 6.546 ( -1.936 2.557 -0.959) 3.347 6.564 ( -2.059 0.175 1.320) 2.453 6.608 ( 1.305 4.053 -0.242) 4.264 6.679 ( 1.095 -2.683 0.522) 2.944 6.705 ( -1.584 1.731 -0.861) 2.499 6.725 ( -0.346 -0.597 1.686) 1.822 6.855 ( 1.733 0.292 0.731) 1.904 6.893 ( -1.126 -3.312 -1.146) 3.682 7.208 ( 0.371 1.515 -0.214) 1.575 7.238 ( 0.631 -1.524 -0.037) 1.650 7.384 ( -0.842 4.136 -0.520) 4.253 7.446 ( 0.985 -0.063 0.779) 1.257 7.500 ( 0.803 7.214 0.359) 7.267 7.604 ( -1.103 0.937 0.983) 1.750 7.677 ( 2.401 -2.653 -0.998) 3.714 7.741 ( 0.576 -4.065 0.751) 4.173 7.749 ( 0.770 2.596 0.416) 2.740 7.817 ( 0.511 -4.677 0.496) 4.731 7.949 ( -2.752 1.804 1.059) 3.457 7.978 ( -4.502 -0.816 -1.536) 4.827 8.013 ( -1.410 2.739 -2.653) 4.066 8.074 ( -2.641 -2.880 -0.306) 3.920 8.332 ( -0.768 1.879 0.793) 2.179 8.345 ( -1.659 0.822 1.470) 2.364 8.628 ( 0.619 1.258 1.467) 2.029 8.658 ( 0.863 -1.560 1.438) 2.290 8.718 ( -1.414 1.735 -0.969) 2.439 8.766 ( -0.272 -2.952 -3.379) 4.495 9.279 ( -0.008 -0.572 0.222) 0.614 9.290 ( -0.154 -1.768 0.430) 1.826 9.393 ( 0.612 0.225 0.035) 0.652 9.413 ( 0.179 -1.714 -0.068) 1.725 9.609 ( -0.794 2.465 -1.268) 2.884 9.628 ( -0.752 0.706 -0.048) 1.033 9.660 ( 0.476 0.874 -0.859) 1.315 9.673 ( 0.585 0.085 -0.167) 0.614 9.740 ( 0.843 0.753 -0.654) 1.306 9.767 ( 0.850 -1.011 -0.496) 1.411 9.830 ( 0.956 2.537 1.965) 3.348 9.854 ( 0.150 0.426 1.619) 1.680 9.903 ( 1.087 2.320 -0.536) 2.617 9.926 ( 0.092 -0.155 -1.198) 1.211 10.007 ( -0.529 0.954 0.512) 1.205 10.033 ( -1.647 2.241 0.427) 2.813 10.042 ( 0.098 -1.664 -0.429) 1.722 10.080 ( -1.537 2.450 1.025) 3.069 10.092 ( -1.653 0.219 -0.571) 1.763 10.100 ( -1.370 -1.196 1.108) 2.130 10.113 ( -0.661 -0.285 0.646) 0.968 10.155 ( -1.800 -1.973 0.430) 2.705 10.228 ( -0.415 2.885 -1.218) 3.159 10.261 ( 0.302 -1.002 0.244) 1.075 10.289 ( -0.822 0.144 -0.482) 0.964 10.320 ( -0.743 -2.553 0.762) 2.766 10.420 ( 3.013 2.503 -0.348) 3.933 10.454 ( 2.472 -0.899 -3.086) 4.054 10.534 ( -0.800 0.367 1.784) 1.989 10.555 ( -1.457 -1.241 2.025) 2.786 10.676 ( 1.282 2.910 -0.390) 3.204 10.734 ( 1.499 -3.001 -0.606) 3.409 10.870 ( -2.883 0.099 -0.333) 2.903 10.884 ( -4.076 -1.042 -1.567) 4.489 11.030 ( -1.340 0.968 -1.001) 1.932 11.053 ( -1.415 -1.353 -1.215) 2.304 11.130 ( -1.964 1.920 0.820) 2.867 11.163 ( -2.876 -0.779 1.461) 3.319 11.173 ( -1.096 1.046 -0.204) 1.529 11.182 ( -0.263 0.004 0.140) 0.298 11.303 ( 2.268 3.441 -0.049) 4.121 11.383 ( 0.140 -0.791 1.565) 1.760 11.424 ( 0.996 -2.582 -1.121) 2.986 11.457 ( 1.968 -6.326 0.902) 6.686 ======================= Grid point 12 (9/33) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 9.444 13.188 -0.500) 16.228 1.124 ( 5.491 10.822 -2.134) 12.321 1.285 ( 2.816 -12.159 -2.857) 12.804 1.312 ( -3.463 -3.079 -1.456) 4.858 1.383 ( -1.743 -3.944 -0.006) 4.312 1.423 ( -4.515 -2.908 0.048) 5.371 1.567 ( 2.863 -2.925 0.102) 4.094 1.598 ( 0.280 -5.243 2.648) 5.880 1.688 ( 1.113 1.499 1.291) 2.269 1.718 ( -0.088 0.143 -3.728) 3.732 1.767 ( -1.722 0.659 -2.231) 2.894 1.837 ( 0.863 -4.393 0.235) 4.483 1.933 ( 2.822 0.604 3.078) 4.219 1.942 ( -0.449 -2.013 -1.319) 2.448 2.049 ( 0.863 1.001 -0.381) 1.375 2.079 ( 2.682 -1.100 -0.136) 2.902 2.086 ( -1.858 2.916 1.183) 3.655 2.123 ( 1.789 4.884 0.011) 5.202 2.148 ( 0.238 2.500 2.625) 3.633 2.191 ( -1.079 2.963 2.561) 4.062 2.214 ( 1.637 -3.466 -2.553) 4.606 2.242 ( -0.455 -0.850 2.266) 2.463 2.287 ( -0.656 2.249 -1.304) 2.681 2.333 ( -3.501 1.406 1.432) 4.035 2.340 ( -0.728 -2.103 -1.965) 2.969 2.360 ( -1.883 0.455 1.457) 2.424 2.429 ( 7.025 5.993 0.620) 9.255 2.485 ( 0.037 7.068 -0.523) 7.087 2.509 ( -1.798 1.530 1.361) 2.725 2.525 ( 0.092 1.296 -0.399) 1.360 2.627 ( -0.636 1.114 -2.771) 3.054 2.684 ( -1.142 3.625 1.590) 4.120 2.689 ( 0.555 1.698 -0.470) 1.847 2.720 ( -0.937 5.092 0.118) 5.178 2.755 ( 1.273 3.568 -0.033) 3.788 2.793 ( 1.556 -0.035 0.110) 1.560 2.816 ( 1.746 -2.334 -0.425) 2.945 2.857 ( -3.370 2.660 1.733) 4.630 2.878 ( 0.479 -1.749 -0.165) 1.821 2.927 ( -2.734 -0.142 -1.876) 3.319 2.959 ( 0.958 -0.127 1.689) 1.946 3.018 ( -1.423 -3.780 -0.683) 4.096 3.101 ( 1.281 -4.135 0.130) 4.330 3.130 ( -0.676 -0.740 0.505) 1.122 3.149 ( 1.957 -8.134 0.628) 8.390 3.206 ( -0.516 -5.920 -0.846) 6.003 3.236 ( 2.123 -1.576 -1.191) 2.900 3.267 ( 0.052 -0.471 0.219) 0.523 3.334 ( -3.513 -0.145 -1.167) 3.704 3.364 ( 0.012 1.703 2.441) 2.976 3.385 ( -5.645 -6.231 -1.526) 8.546 3.410 ( -3.261 -2.603 3.264) 5.297 3.470 ( -0.290 2.965 -0.286) 2.993 3.513 ( 1.455 -0.939 -0.509) 1.805 3.581 ( 0.121 3.598 0.607) 3.651 3.632 ( 0.142 2.274 -1.414) 2.682 3.654 ( 2.832 -1.932 2.237) 4.093 3.682 ( 3.553 5.624 0.307) 6.659 3.706 ( -1.478 -3.503 -2.965) 4.821 3.771 ( 0.159 2.801 -2.566) 3.802 3.781 ( 3.446 -3.915 1.792) 5.515 3.858 ( -2.884 -2.469 0.032) 3.797 3.898 ( -0.852 2.433 0.316) 2.597 3.908 ( -0.650 -2.436 -1.333) 2.852 3.995 ( -0.999 -0.367 0.296) 1.104 4.019 ( -1.311 1.032 0.034) 1.668 4.092 ( -0.283 -1.923 0.974) 2.174 4.118 ( -3.192 -2.779 0.696) 4.289 4.218 ( -0.684 1.012 -0.094) 1.225 4.230 ( 0.303 -1.172 -0.801) 1.452 4.314 ( 2.115 0.466 -2.271) 3.138 4.342 ( -0.322 -0.474 -0.597) 0.828 4.345 ( -1.090 -0.953 1.144) 1.845 4.377 ( 0.697 -2.331 -1.140) 2.687 4.453 ( -1.465 1.204 0.707) 2.024 4.504 ( -0.266 -2.725 0.636) 2.811 4.552 ( 0.822 0.849 -0.241) 1.206 4.600 ( 0.792 -4.423 0.746) 4.555 4.671 ( -0.286 0.884 0.854) 1.262 4.682 ( -1.337 -0.532 1.677) 2.210 4.717 ( 0.542 1.832 0.006) 1.911 4.744 ( 1.001 -0.816 0.841) 1.541 4.805 ( -0.863 1.791 -1.141) 2.292 4.851 ( -0.243 -2.973 -0.868) 3.106 5.082 ( 1.475 1.870 -0.923) 2.554 5.128 ( 1.507 -2.501 -0.452) 2.955 5.154 ( 0.759 1.613 -0.383) 1.823 5.176 ( -0.344 -0.824 0.372) 0.967 5.297 ( -0.534 -0.631 -0.218) 0.855 5.303 ( -0.855 -1.202 1.105) 1.843 5.323 ( -2.266 1.140 -1.585) 2.991 5.359 ( -1.472 -2.097 -1.097) 2.787 5.461 ( 0.111 3.414 -0.347) 3.433 5.478 ( 1.247 1.205 0.031) 1.735 5.636 ( -0.020 0.940 0.600) 1.116 5.665 ( 1.817 -1.773 1.038) 2.743 5.779 ( -0.605 0.417 0.262) 0.780 5.804 ( -0.913 -2.121 0.624) 2.392 5.875 ( 1.486 -1.156 0.331) 1.912 5.890 ( 0.782 -2.436 1.790) 3.122 5.989 ( -2.128 1.965 -0.945) 3.047 6.021 ( -1.662 -0.847 -0.857) 2.053 6.144 ( -0.809 0.674 -0.687) 1.257 6.170 ( -0.063 -2.233 0.103) 2.236 6.285 ( 2.634 3.715 0.241) 4.561 6.338 ( 0.918 -1.043 -0.628) 1.525 6.410 ( 0.465 0.403 -0.798) 1.008 6.431 ( -0.181 -0.848 1.733) 1.938 6.508 ( -0.956 0.860 -1.853) 2.256 6.522 ( -2.112 -0.139 2.095) 2.978 6.631 ( 0.801 4.831 -0.046) 4.897 6.670 ( -0.966 2.536 -0.702) 2.803 6.699 ( 0.540 -1.561 0.123) 1.656 6.732 ( 0.147 -4.181 1.289) 4.378 6.872 ( -0.347 -0.764 -0.528) 0.991 6.886 ( 0.742 -2.006 0.270) 2.156 7.213 ( 0.129 1.476 -0.130) 1.487 7.249 ( 0.376 -2.120 -0.022) 2.154 7.370 ( -0.379 4.284 -0.214) 4.306 7.460 ( 0.297 -4.263 0.187) 4.277 7.531 ( 1.556 7.743 0.702) 7.929 7.600 ( 0.783 2.737 0.592) 2.908 7.703 ( -0.182 -0.341 -0.429) 0.577 7.718 ( -2.463 2.182 -0.993) 3.437 7.787 ( 2.435 -0.775 1.834) 3.146 7.829 ( 0.273 -4.183 0.136) 4.194 7.888 ( -2.550 1.438 -1.313) 3.209 7.907 ( -1.309 -0.028 0.293) 1.342 7.986 ( -0.912 0.837 -0.770) 1.457 8.015 ( -2.317 -1.720 -0.536) 2.935 8.319 ( -0.569 1.348 0.414) 1.520 8.321 ( -0.819 1.283 0.531) 1.612 8.639 ( 0.092 3.205 1.026) 3.367 8.680 ( 0.610 -0.473 0.586) 0.969 8.708 ( 0.482 -1.359 1.648) 2.190 8.739 ( -1.109 -3.473 -3.937) 5.366 9.278 ( -0.092 -0.576 0.047) 0.585 9.290 ( 0.001 -1.959 0.253) 1.975 9.406 ( 0.435 -0.410 0.042) 0.599 9.416 ( 0.084 -1.308 0.010) 1.311 9.593 ( -0.385 2.006 -0.574) 2.121 9.608 ( -0.797 0.297 0.005) 0.851 9.671 ( 0.602 0.860 -0.670) 1.245 9.685 ( 0.473 -0.238 -0.203) 0.567 9.748 ( 0.092 2.767 0.031) 2.769 9.787 ( 0.899 -0.125 -0.081) 0.911 9.852 ( 0.062 1.995 0.814) 2.156 9.866 ( 1.410 1.165 0.569) 1.915 9.917 ( -0.396 1.407 -0.263) 1.485 9.927 ( 0.340 1.014 -0.689) 1.272 9.988 ( -1.175 2.976 0.643) 3.264 10.001 ( -1.105 3.630 -0.029) 3.795 10.032 ( -0.632 2.215 -0.298) 2.323 10.057 ( 0.129 -3.012 -0.283) 3.028 10.070 ( -0.961 -1.584 0.441) 1.904 10.083 ( -0.816 -0.170 1.071) 1.358 10.105 ( -0.001 -1.921 -0.578) 2.006 10.120 ( -1.420 -1.818 0.738) 2.422 10.222 ( 0.020 3.593 -0.564) 3.637 10.271 ( 0.339 -1.181 0.508) 1.330 10.285 ( 0.281 -0.571 -0.198) 0.666 10.312 ( -0.248 -2.510 0.148) 2.526 10.465 ( 0.912 2.072 -0.590) 2.339 10.489 ( 2.193 0.204 -3.419) 4.067 10.531 ( -1.066 0.233 3.728) 3.885 10.542 ( 0.229 -1.213 0.768) 1.454 10.702 ( 1.181 2.889 -0.301) 3.136 10.762 ( 1.249 -3.105 -0.589) 3.399 10.821 ( -1.566 0.715 -0.770) 1.886 10.844 ( -0.091 -1.782 0.515) 1.857 10.956 ( -3.710 0.591 -0.501) 3.790 10.973 ( -3.961 -0.958 -0.860) 4.165 11.119 ( -0.063 0.719 0.354) 0.804 11.135 ( -0.424 -0.887 0.626) 1.166 11.175 ( 0.194 0.463 -0.069) 0.507 11.186 ( 0.220 -0.684 0.190) 0.744 11.334 ( 0.899 3.705 -0.074) 3.813 11.384 ( -0.203 0.829 0.309) 0.908 11.437 ( 0.679 -2.742 -0.356) 2.847 11.458 ( -1.056 -5.432 0.228) 5.538 ======================= Grid point 25 (10/33) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( -7.796 0.000 21.118) 22.512 0.479 ( -1.388 0.000 23.412) 23.453 0.872 ( -4.357 0.000 40.736) 40.968 1.231 ( 1.267 0.000 -15.668) 15.719 1.358 ( 2.253 0.000 -16.645) 16.796 1.568 ( -1.424 0.000 1.639) 2.171 1.578 ( -3.781 0.000 1.603) 4.107 1.708 ( -1.382 0.000 -1.334) 1.921 1.763 ( 2.386 0.000 3.420) 4.170 1.777 ( 6.059 0.000 4.940) 7.818 1.778 ( -0.779 0.000 -1.340) 1.550 1.858 ( 2.101 0.000 3.081) 3.729 1.925 ( 0.337 0.000 1.836) 1.866 1.969 ( 2.201 0.000 -1.152) 2.484 1.983 ( 1.046 0.000 3.137) 3.307 2.015 ( -1.502 0.000 -5.869) 6.058 2.032 ( -0.643 0.000 -1.004) 1.192 2.060 ( -3.431 0.000 -0.953) 3.561 2.097 ( 3.760 0.000 1.257) 3.964 2.162 ( -0.418 0.000 -7.452) 7.463 2.197 ( 2.424 0.000 -3.494) 4.253 2.218 ( 0.944 0.000 4.057) 4.165 2.237 ( -3.756 0.000 1.817) 4.173 2.306 ( -1.407 0.000 -5.174) 5.362 2.316 ( 2.158 0.000 -1.332) 2.536 2.418 ( -0.196 0.000 -1.147) 1.164 2.428 ( -0.385 0.000 -2.594) 2.623 2.454 ( -0.451 0.000 -0.781) 0.902 2.488 ( 3.044 0.000 -1.086) 3.232 2.569 ( -1.539 0.000 5.152) 5.377 2.570 ( -1.171 0.000 -1.377) 1.808 2.613 ( 1.302 0.000 -0.577) 1.424 2.638 ( -0.115 0.000 -1.050) 1.056 2.719 ( 2.186 0.000 -3.391) 4.035 2.722 ( -4.359 0.000 3.674) 5.701 2.789 ( -3.427 0.000 2.842) 4.452 2.816 ( -0.498 0.000 -1.650) 1.723 2.839 ( -0.676 0.000 -6.821) 6.854 2.859 ( 0.756 0.000 -1.633) 1.799 2.902 ( -5.118 0.000 -5.901) 7.811 2.967 ( 3.849 0.000 -3.176) 4.990 2.994 ( -3.009 0.000 -3.531) 4.639 3.019 ( 1.859 0.000 -2.760) 3.328 3.088 ( -2.787 0.000 -3.760) 4.680 3.164 ( -0.252 0.000 2.673) 2.685 3.271 ( 4.103 0.000 0.713) 4.165 3.301 ( 4.055 0.000 -3.768) 5.535 3.302 ( 0.666 0.000 -1.102) 1.288 3.349 ( -0.544 0.000 4.960) 4.989 3.373 ( -1.015 0.000 0.935) 1.380 3.438 ( 0.074 0.000 0.998) 1.001 3.495 ( 2.352 0.000 -4.292) 4.895 3.507 ( -1.364 0.000 4.764) 4.955 3.557 ( 0.289 0.000 3.974) 3.984 3.574 ( 2.310 0.000 4.285) 4.868 3.681 ( -0.369 0.000 4.044) 4.061 3.759 ( -0.813 0.000 2.857) 2.970 3.768 ( -1.014 0.000 -1.161) 1.542 3.792 ( 0.793 0.000 4.710) 4.777 3.807 ( -1.583 0.000 -1.591) 2.245 3.871 ( -3.461 0.000 -0.664) 3.524 3.879 ( -0.381 0.000 -0.707) 0.803 3.905 ( 0.193 0.000 3.562) 3.567 3.932 ( 1.375 0.000 2.019) 2.443 4.028 ( 1.017 0.000 5.132) 5.232 4.043 ( 2.671 0.000 -1.653) 3.141 4.170 ( -0.004 0.000 -1.518) 1.518 4.184 ( -3.879 0.000 -1.639) 4.211 4.302 ( 2.398 0.000 -0.722) 2.504 4.324 ( 2.027 0.000 -5.136) 5.522 4.388 ( 2.694 0.000 0.665) 2.775 4.418 ( 1.167 0.000 -0.157) 1.178 4.439 ( -3.134 0.000 -1.289) 3.388 4.441 ( 1.761 0.000 -1.044) 2.047 4.469 ( -0.493 0.000 -1.526) 1.604 4.508 ( -2.521 0.000 -2.083) 3.270 4.570 ( 1.168 0.000 2.904) 3.130 4.615 ( 5.068 0.000 1.956) 5.433 4.626 ( -4.784 0.000 3.166) 5.737 4.684 ( -2.266 0.000 3.437) 4.117 4.692 ( 2.302 0.000 -2.173) 3.165 4.757 ( 1.719 0.000 -0.049) 1.719 4.805 ( 1.909 0.000 0.608) 2.004 4.914 ( -2.116 0.000 -3.202) 3.838 5.053 ( -0.799 0.000 -0.002) 0.799 5.082 ( -1.295 0.000 -2.383) 2.712 5.196 ( -5.620 0.000 0.668) 5.659 5.231 ( 3.959 0.000 -1.330) 4.176 5.322 ( -3.140 0.000 0.088) 3.141 5.322 ( -0.233 0.000 0.216) 0.318 5.332 ( 0.432 0.000 0.783) 0.894 5.365 ( 0.008 0.000 -1.025) 1.025 5.496 ( -2.804 0.000 0.634) 2.875 5.563 ( -1.216 0.000 1.810) 2.181 5.572 ( 2.321 0.000 -2.160) 3.171 5.644 ( 0.165 0.000 1.985) 1.992 5.664 ( 6.615 0.000 2.764) 7.169 5.695 ( -1.601 0.000 -2.831) 3.253 5.865 ( 6.099 0.000 0.732) 6.143 5.891 ( -2.731 0.000 2.037) 3.407 6.061 ( -0.789 0.000 -1.388) 1.597 6.135 ( -0.451 0.000 -3.143) 3.175 6.210 ( 0.234 0.000 0.947) 0.975 6.219 ( -4.841 0.000 0.503) 4.867 6.281 ( 0.074 0.000 2.383) 2.384 6.328 ( -7.441 0.000 -0.290) 7.447 6.409 ( 2.631 0.000 -3.786) 4.611 6.413 ( -0.451 0.000 -1.361) 1.434 6.437 ( -3.195 0.000 1.742) 3.639 6.484 ( 2.474 0.000 0.765) 2.590 6.625 ( -1.714 0.000 2.825) 3.304 6.696 ( -0.090 0.000 -0.411) 0.421 6.815 ( -5.569 0.000 2.445) 6.082 6.844 ( 4.103 0.000 4.352) 5.981 6.992 ( 4.177 0.000 -3.453) 5.420 7.022 ( 2.413 0.000 -3.239) 4.039 7.222 ( 1.369 0.000 -0.728) 1.551 7.224 ( -0.270 0.000 0.365) 0.453 7.257 ( 0.346 0.000 -2.015) 2.044 7.271 ( 0.172 0.000 -2.814) 2.820 7.409 ( -0.637 0.000 3.222) 3.284 7.445 ( 0.113 0.000 2.538) 2.540 7.664 ( -1.841 0.000 -0.134) 1.845 7.665 ( 1.187 0.000 0.538) 1.304 7.813 ( 1.360 0.000 1.891) 2.329 7.834 ( 0.597 0.000 1.022) 1.183 7.913 ( -1.958 0.000 -1.788) 2.651 7.942 ( 0.227 0.000 -4.282) 4.288 8.127 ( -1.926 0.000 4.499) 4.894 8.239 ( 1.659 0.000 -0.002) 1.659 8.281 ( -0.075 0.000 -0.469) 0.475 8.301 ( 8.390 0.000 -2.484) 8.750 8.608 ( -0.848 0.000 1.172) 1.447 8.690 ( 1.966 0.000 3.744) 4.229 8.710 ( 1.742 0.000 -2.043) 2.685 8.832 ( -12.558 0.000 -2.623) 12.829 9.385 ( -1.021 0.000 -0.927) 1.379 9.386 ( 6.716 0.000 -0.665) 6.749 9.397 ( 0.802 0.000 0.520) 0.956 9.422 ( 0.222 0.000 -0.184) 0.289 9.510 ( -1.185 0.000 0.391) 1.248 9.542 ( -0.339 0.000 -0.758) 0.830 9.653 ( 1.040 0.000 2.072) 2.318 9.655 ( -0.619 0.000 1.815) 1.918 9.672 ( 0.093 0.000 2.195) 2.197 9.754 ( -0.920 0.000 -1.845) 2.062 9.794 ( 0.188 0.000 1.921) 1.930 9.816 ( 1.692 0.000 0.217) 1.706 9.856 ( 1.434 0.000 0.679) 1.587 9.911 ( -1.560 0.000 -1.684) 2.295 9.925 ( -1.475 0.000 -2.660) 3.041 9.965 ( -5.885 0.000 -2.005) 6.218 10.050 ( 0.368 0.000 -1.481) 1.527 10.069 ( -0.551 0.000 1.731) 1.817 10.113 ( 0.233 0.000 0.194) 0.303 10.125 ( -0.387 0.000 0.350) 0.522 10.132 ( 0.146 0.000 -0.188) 0.238 10.159 ( -0.574 0.000 -0.925) 1.088 10.165 ( -1.020 0.000 1.528) 1.837 10.245 ( -2.857 0.000 0.190) 2.863 10.302 ( 0.928 0.000 -1.046) 1.398 10.315 ( -0.953 0.000 -3.680) 3.801 10.413 ( 2.510 0.000 2.999) 3.911 10.439 ( -3.518 0.000 2.667) 4.415 10.592 ( 0.282 0.000 1.794) 1.816 10.636 ( -0.544 0.000 4.609) 4.641 10.743 ( 0.298 0.000 -2.933) 2.948 10.888 ( 0.146 0.000 -3.693) 3.696 10.891 ( -9.291 0.000 1.379) 9.393 10.944 ( -1.687 0.000 -2.268) 2.827 11.018 ( -0.483 0.000 0.777) 0.915 11.051 ( 2.531 0.000 -0.170) 2.537 11.122 ( 0.430 0.000 1.656) 1.711 11.127 ( -0.373 0.000 2.147) 2.179 11.183 ( 0.509 0.000 0.303) 0.592 11.251 ( -3.776 0.000 -1.896) 4.225 11.317 ( -8.567 0.000 1.406) 8.682 11.377 ( 1.122 0.000 -1.444) 1.828 11.474 ( -2.910 0.000 -0.712) 2.996 11.493 ( 29.981 0.000 -1.941) 30.044 ======================= Grid point 26 (11/33) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 14.654 0.000 13.717) 20.072 0.682 ( 13.451 0.000 17.095) 21.752 1.149 ( 15.225 0.000 27.304) 31.262 1.251 ( 4.376 0.000 -14.575) 15.217 1.386 ( 5.766 0.000 -15.557) 16.591 1.490 ( -4.384 0.000 3.819) 5.814 1.543 ( -2.890 0.000 -1.196) 3.127 1.640 ( -5.859 0.000 -1.050) 5.952 1.751 ( -0.811 0.000 -0.356) 0.885 1.829 ( 2.111 0.000 4.202) 4.702 1.830 ( -5.018 0.000 2.729) 5.712 1.881 ( -0.599 0.000 -2.900) 2.961 1.924 ( 0.780 0.000 0.103) 0.787 1.933 ( 0.603 0.000 1.891) 1.985 1.994 ( 1.237 0.000 -0.551) 1.354 2.004 ( 2.220 0.000 2.797) 3.571 2.025 ( 1.374 0.000 -0.669) 1.528 2.046 ( 1.575 0.000 -3.324) 3.678 2.147 ( -2.755 0.000 4.532) 5.304 2.150 ( 0.790 0.000 -2.689) 2.802 2.216 ( 2.349 0.000 -3.237) 4.000 2.221 ( -0.503 0.000 -1.570) 1.649 2.276 ( 0.151 0.000 -2.417) 2.422 2.333 ( 7.579 0.000 -4.711) 8.924 2.364 ( 3.957 0.000 -1.694) 4.304 2.387 ( -2.990 0.000 0.624) 3.055 2.413 ( -1.131 0.000 0.208) 1.150 2.437 ( -0.175 0.000 1.112) 1.126 2.527 ( -2.667 0.000 6.143) 6.697 2.556 ( -1.729 0.000 -2.229) 2.821 2.565 ( 0.763 0.000 1.421) 1.613 2.608 ( -2.869 0.000 2.622) 3.886 2.627 ( -0.422 0.000 -1.150) 1.225 2.630 ( -2.188 0.000 -2.139) 3.060 2.733 ( -0.221 0.000 0.947) 0.972 2.750 ( 1.041 0.000 -3.196) 3.361 2.784 ( -0.960 0.000 -2.122) 2.329 2.818 ( -2.359 0.000 3.212) 3.985 2.853 ( 3.865 0.000 -7.656) 8.577 2.859 ( -1.053 0.000 -4.952) 5.063 2.931 ( -1.588 0.000 -0.715) 1.742 2.980 ( -0.660 0.000 -2.599) 2.681 3.067 ( 1.623 0.000 -3.096) 3.495 3.067 ( 3.346 0.000 -0.899) 3.465 3.216 ( 2.989 0.000 -3.283) 4.440 3.279 ( -2.379 0.000 -1.853) 3.016 3.303 ( -0.146 0.000 -0.049) 0.154 3.326 ( -2.823 0.000 7.433) 7.951 3.342 ( -1.461 0.000 -2.239) 2.673 3.374 ( 2.026 0.000 -1.173) 2.341 3.448 ( 1.812 0.000 -1.576) 2.401 3.489 ( -0.568 0.000 -0.207) 0.605 3.518 ( -0.209 0.000 -1.011) 1.032 3.570 ( 1.486 0.000 -0.215) 1.501 3.644 ( -1.314 0.000 1.663) 2.119 3.669 ( -2.190 0.000 3.940) 4.508 3.700 ( -2.363 0.000 2.248) 3.262 3.712 ( -3.609 0.000 -1.741) 4.007 3.770 ( -2.844 0.000 3.016) 4.145 3.775 ( -2.301 0.000 1.099) 2.550 3.828 ( 1.076 0.000 3.110) 3.291 3.848 ( -2.316 0.000 0.177) 2.322 3.926 ( 0.936 0.000 0.985) 1.358 3.967 ( -0.214 0.000 1.783) 1.796 4.050 ( -0.552 0.000 5.239) 5.268 4.106 ( 3.752 0.000 1.621) 4.088 4.129 ( -3.099 0.000 -2.215) 3.809 4.147 ( 1.043 0.000 -0.559) 1.184 4.333 ( -1.365 0.000 -2.175) 2.568 4.343 ( -1.129 0.000 0.199) 1.146 4.369 ( -0.754 0.000 -2.074) 2.207 4.396 ( 0.637 0.000 -2.604) 2.681 4.433 ( -1.887 0.000 -2.809) 3.384 4.460 ( -0.915 0.000 -2.192) 2.375 4.481 ( 3.419 0.000 0.621) 3.475 4.489 ( 1.794 0.000 -1.296) 2.213 4.536 ( -1.444 0.000 0.804) 1.653 4.597 ( -1.871 0.000 2.667) 3.258 4.642 ( -1.047 0.000 -0.766) 1.298 4.671 ( 0.731 0.000 1.507) 1.675 4.715 ( -0.091 0.000 -0.607) 0.614 4.762 ( -1.048 0.000 -0.594) 1.204 4.839 ( 0.715 0.000 2.594) 2.691 4.901 ( 1.629 0.000 -2.873) 3.302 5.027 ( -1.283 0.000 -0.463) 1.364 5.063 ( 1.758 0.000 1.328) 2.203 5.157 ( 0.532 0.000 -2.978) 3.025 5.265 ( -1.378 0.000 1.496) 2.034 5.295 ( -0.775 0.000 0.390) 0.868 5.312 ( -0.758 0.000 0.588) 0.959 5.343 ( 0.825 0.000 -0.642) 1.046 5.375 ( 1.306 0.000 -0.614) 1.443 5.430 ( -2.696 0.000 0.218) 2.705 5.574 ( 0.181 0.000 2.653) 2.659 5.601 ( -2.584 0.000 -0.740) 2.688 5.622 ( 2.891 0.000 -1.256) 3.152 5.749 ( 5.524 0.000 -2.223) 5.955 5.805 ( 6.026 0.000 3.808) 7.128 5.854 ( -0.507 0.000 -0.759) 0.913 5.927 ( -1.808 0.000 -2.304) 2.929 6.013 ( -2.173 0.000 4.476) 4.975 6.030 ( -1.556 0.000 -1.042) 1.873 6.200 ( 0.987 0.000 -3.133) 3.285 6.201 ( -2.253 0.000 0.339) 2.278 6.267 ( -1.091 0.000 2.937) 3.133 6.315 ( 0.179 0.000 -0.576) 0.603 6.373 ( -2.436 0.000 -1.909) 3.095 6.409 ( 0.484 0.000 3.004) 3.042 6.467 ( 3.099 0.000 -0.493) 3.138 6.517 ( 0.080 0.000 0.675) 0.680 6.585 ( -3.200 0.000 5.152) 6.065 6.674 ( -1.247 0.000 -0.705) 1.432 6.716 ( -4.139 0.000 0.761) 4.209 6.932 ( 3.279 0.000 3.239) 4.609 6.961 ( -2.117 0.000 -4.043) 4.563 7.094 ( 1.904 0.000 -3.816) 4.265 7.222 ( -0.017 0.000 0.179) 0.180 7.254 ( 0.039 0.000 -0.956) 0.957 7.264 ( 2.234 0.000 -1.774) 2.853 7.269 ( 0.421 0.000 -2.889) 2.919 7.405 ( -0.707 0.000 3.541) 3.611 7.436 ( -2.472 0.000 1.946) 3.146 7.639 ( -0.611 0.000 -0.466) 0.769 7.694 ( 1.135 0.000 1.161) 1.624 7.842 ( 0.587 0.000 1.525) 1.635 7.852 ( 0.742 0.000 1.082) 1.312 7.863 ( -2.173 0.000 -0.791) 2.312 7.935 ( 0.315 0.000 -4.162) 4.174 8.074 ( -3.702 0.000 1.629) 4.045 8.200 ( -8.121 0.000 2.230) 8.421 8.264 ( -2.884 0.000 1.624) 3.310 8.276 ( -0.253 0.000 0.034) 0.256 8.581 ( -1.617 0.000 1.034) 1.919 8.713 ( 1.076 0.000 -5.733) 5.833 8.751 ( 1.666 0.000 5.530) 5.775 8.771 ( 2.709 0.000 0.226) 2.718 9.366 ( -0.302 0.000 -1.621) 1.649 9.389 ( -0.786 0.000 0.672) 1.034 9.424 ( 0.045 0.000 0.028) 0.053 9.486 ( -1.082 0.000 0.653) 1.264 9.487 ( 2.341 0.000 -2.987) 3.795 9.549 ( -0.208 0.000 -1.886) 1.897 9.653 ( 0.106 0.000 1.397) 1.401 9.662 ( -0.786 0.000 2.366) 2.493 9.696 ( 1.357 0.000 1.520) 2.038 9.713 ( -0.823 0.000 -0.810) 1.155 9.792 ( -1.066 0.000 1.746) 2.046 9.837 ( -2.880 0.000 1.011) 3.052 9.844 ( -0.712 0.000 1.461) 1.625 9.855 ( -1.090 0.000 1.351) 1.736 9.876 ( -0.984 0.000 -0.638) 1.173 9.890 ( -0.399 0.000 -2.261) 2.296 10.061 ( 1.027 0.000 -0.151) 1.038 10.062 ( -0.067 0.000 0.086) 0.109 10.123 ( 0.721 0.000 1.183) 1.386 10.133 ( -1.209 0.000 -0.680) 1.387 10.139 ( -0.078 0.000 0.347) 0.356 10.141 ( 0.792 0.000 2.322) 2.453 10.157 ( 0.050 0.000 0.646) 0.648 10.237 ( 1.055 0.000 -0.495) 1.165 10.293 ( -0.262 0.000 -2.286) 2.301 10.334 ( 2.653 0.000 -0.986) 2.831 10.394 ( -0.970 0.000 -2.394) 2.583 10.456 ( 0.274 0.000 3.549) 3.560 10.625 ( 1.896 0.000 2.211) 2.912 10.653 ( -0.318 0.000 5.861) 5.870 10.709 ( -3.568 0.000 3.710) 5.147 10.793 ( 0.034 0.000 1.232) 1.232 10.811 ( -4.075 0.000 -4.317) 5.936 10.941 ( 0.023 0.000 0.193) 0.194 11.001 ( -2.226 0.000 0.217) 2.236 11.065 ( -5.677 0.000 -0.639) 5.713 11.106 ( 2.990 0.000 -1.121) 3.194 11.130 ( 0.031 0.000 2.225) 2.225 11.184 ( -1.933 0.000 0.059) 1.934 11.216 ( 1.472 0.000 1.888) 2.394 11.258 ( -0.968 0.000 0.550) 1.114 11.360 ( -1.646 0.000 -2.227) 2.770 11.461 ( 1.962 0.000 -1.629) 2.550 11.718 ( -1.398 0.000 -8.449) 8.563 ======================= Grid point 27 (12/33) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 13.462 0.000 9.684) 16.584 1.023 ( 15.559 0.000 9.998) 18.494 1.250 ( -7.979 0.000 4.455) 9.138 1.309 ( 5.595 0.000 -11.860) 13.114 1.329 ( -15.847 0.000 4.048) 16.356 1.497 ( 7.547 0.000 -12.330) 14.457 1.571 ( -0.251 0.000 -6.245) 6.250 1.582 ( 7.258 0.000 2.979) 7.845 1.747 ( 1.257 0.000 -4.505) 4.677 1.816 ( -0.224 0.000 2.028) 2.040 1.833 ( -2.735 0.000 -6.965) 7.483 1.878 ( 2.091 0.000 6.937) 7.245 1.887 ( -3.577 0.000 -4.418) 5.684 1.935 ( 0.483 0.000 -0.115) 0.497 1.950 ( -0.864 0.000 -7.604) 7.653 1.992 ( -5.112 0.000 2.582) 5.727 2.085 ( 1.587 0.000 -0.369) 1.629 2.111 ( 1.203 0.000 1.745) 2.120 2.172 ( 1.399 0.000 5.091) 5.280 2.188 ( 1.968 0.000 3.692) 4.184 2.213 ( 3.425 0.000 -2.749) 4.392 2.266 ( 8.429 0.000 3.272) 9.042 2.279 ( -6.457 0.000 3.164) 7.191 2.323 ( 2.158 0.000 3.712) 4.294 2.394 ( -1.541 0.000 4.092) 4.373 2.410 ( 0.967 0.000 -0.318) 1.018 2.410 ( -6.564 0.000 2.737) 7.112 2.443 ( 2.941 0.000 0.511) 2.985 2.491 ( 3.507 0.000 -3.123) 4.695 2.521 ( -1.653 0.000 -1.219) 2.054 2.550 ( -4.766 0.000 0.700) 4.817 2.561 ( -2.763 0.000 2.191) 3.526 2.611 ( 2.142 0.000 0.229) 2.155 2.618 ( 0.643 0.000 0.898) 1.105 2.711 ( -3.736 0.000 -3.138) 4.879 2.765 ( -0.122 0.000 1.529) 1.534 2.779 ( -1.023 0.000 -1.051) 1.467 2.794 ( 1.028 0.000 1.178) 1.564 2.825 ( 0.377 0.000 -1.058) 1.123 2.894 ( 1.731 0.000 -0.378) 1.772 2.979 ( 5.823 0.000 -7.405) 9.420 2.987 ( 0.896 0.000 -2.608) 2.757 3.095 ( 2.027 0.000 -3.683) 4.204 3.130 ( 3.151 0.000 -1.889) 3.674 3.217 ( -1.280 0.000 0.616) 1.421 3.230 ( -0.833 0.000 -3.184) 3.291 3.238 ( -4.899 0.000 -1.030) 5.006 3.321 ( -0.117 0.000 -3.431) 3.433 3.334 ( 1.985 0.000 3.057) 3.645 3.385 ( -0.311 0.000 -1.789) 1.816 3.419 ( -3.688 0.000 -5.094) 6.289 3.480 ( -1.983 0.000 -3.252) 3.809 3.487 ( -0.081 0.000 1.559) 1.561 3.601 ( -0.696 0.000 1.134) 1.331 3.616 ( -0.442 0.000 -3.389) 3.418 3.620 ( 0.486 0.000 4.001) 4.031 3.673 ( -2.310 0.000 1.541) 2.777 3.701 ( 1.980 0.000 0.472) 2.035 3.752 ( -0.046 0.000 1.175) 1.175 3.756 ( 0.835 0.000 1.948) 2.119 3.803 ( -2.023 0.000 2.173) 2.969 3.882 ( 2.142 0.000 5.763) 6.148 3.944 ( 0.440 0.000 0.235) 0.499 3.952 ( -1.045 0.000 0.841) 1.341 4.008 ( -4.827 0.000 1.155) 4.963 4.077 ( -1.301 0.000 4.716) 4.893 4.146 ( -1.161 0.000 -0.322) 1.204 4.192 ( 2.076 0.000 3.199) 3.814 4.273 ( -1.487 0.000 -4.057) 4.321 4.313 ( -1.276 0.000 -0.578) 1.401 4.364 ( 0.595 0.000 0.146) 0.612 4.387 ( -0.803 0.000 -1.455) 1.661 4.417 ( 0.816 0.000 -4.382) 4.457 4.457 ( -1.933 0.000 -2.512) 3.170 4.476 ( 2.292 0.000 -1.259) 2.615 4.513 ( -0.645 0.000 -1.852) 1.961 4.561 ( -1.036 0.000 -1.116) 1.523 4.599 ( 4.266 0.000 2.232) 4.814 4.607 ( -1.954 0.000 -2.131) 2.892 4.688 ( -1.376 0.000 -0.386) 1.429 4.696 ( 1.519 0.000 -0.275) 1.544 4.755 ( 0.120 0.000 -2.100) 2.103 4.830 ( -2.620 0.000 3.061) 4.029 4.927 ( 1.356 0.000 -2.490) 2.835 5.022 ( 0.771 0.000 1.136) 1.373 5.120 ( 2.996 0.000 0.761) 3.092 5.155 ( -0.040 0.000 -2.271) 2.272 5.213 ( -3.140 0.000 0.853) 3.254 5.283 ( -0.567 0.000 1.054) 1.197 5.302 ( -0.439 0.000 0.650) 0.784 5.361 ( 1.330 0.000 -1.700) 2.158 5.387 ( -0.046 0.000 -0.448) 0.450 5.412 ( 0.583 0.000 0.878) 1.054 5.555 ( -1.466 0.000 -2.283) 2.713 5.566 ( -1.805 0.000 3.458) 3.901 5.677 ( 2.569 0.000 -2.761) 3.772 5.827 ( -3.709 0.000 0.644) 3.765 5.843 ( 3.962 0.000 -2.191) 4.527 5.873 ( 2.032 0.000 0.917) 2.229 5.967 ( 6.358 0.000 -0.980) 6.433 6.006 ( -0.979 0.000 0.065) 0.981 6.007 ( -1.108 0.000 0.414) 1.182 6.133 ( -2.991 0.000 0.864) 3.113 6.188 ( -2.143 0.000 -1.326) 2.521 6.263 ( -0.353 0.000 0.227) 0.420 6.272 ( -0.940 0.000 -2.114) 2.314 6.389 ( 2.500 0.000 0.341) 2.523 6.459 ( 2.750 0.000 5.034) 5.737 6.479 ( -3.801 0.000 3.822) 5.390 6.505 ( -0.286 0.000 1.185) 1.219 6.557 ( 0.184 0.000 1.485) 1.496 6.646 ( -1.327 0.000 -0.982) 1.651 6.673 ( -0.705 0.000 1.761) 1.897 6.938 ( 2.162 0.000 -6.874) 7.206 6.982 ( 0.867 0.000 2.170) 2.337 7.083 ( -1.630 0.000 -1.812) 2.437 7.224 ( 0.132 0.000 0.202) 0.241 7.245 ( -0.561 0.000 -0.787) 0.967 7.271 ( 0.618 0.000 -2.403) 2.481 7.283 ( -0.463 0.000 -1.285) 1.365 7.381 ( -2.641 0.000 6.437) 6.958 7.403 ( -0.507 0.000 3.843) 3.876 7.636 ( 0.402 0.000 0.240) 0.468 7.698 ( -1.100 0.000 0.546) 1.228 7.812 ( -1.583 0.000 -0.280) 1.608 7.859 ( -0.242 0.000 -0.963) 0.993 7.866 ( 0.420 0.000 1.088) 1.166 7.934 ( 0.751 0.000 -2.990) 3.083 8.030 ( -0.445 0.000 0.568) 0.721 8.066 ( -4.574 0.000 1.652) 4.863 8.247 ( -0.507 0.000 1.267) 1.364 8.271 ( -0.337 0.000 0.423) 0.540 8.560 ( -0.660 0.000 0.731) 0.985 8.704 ( -0.145 0.000 -6.277) 6.279 8.770 ( -1.257 0.000 5.337) 5.483 8.841 ( 4.018 0.000 1.148) 4.178 9.367 ( 0.814 0.000 -1.166) 1.422 9.372 ( -1.048 0.000 0.637) 1.226 9.425 ( -0.041 0.000 0.573) 0.575 9.469 ( -2.811 0.000 -1.284) 3.090 9.477 ( -0.045 0.000 0.762) 0.764 9.538 ( 0.900 0.000 -0.921) 1.287 9.649 ( -1.160 0.000 2.863) 3.089 9.676 ( 1.086 0.000 -0.007) 1.086 9.721 ( 0.937 0.000 0.270) 0.975 9.745 ( 3.343 0.000 -1.880) 3.835 9.777 ( -0.445 0.000 -0.173) 0.477 9.778 ( -3.876 0.000 0.513) 3.910 9.799 ( -1.146 0.000 -1.123) 1.604 9.845 ( -1.105 0.000 -2.067) 2.344 9.885 ( 1.210 0.000 1.758) 2.135 9.906 ( 1.511 0.000 1.659) 2.244 10.069 ( 0.545 0.000 0.076) 0.550 10.080 ( 0.308 0.000 0.654) 0.723 10.117 ( 0.235 0.000 -0.794) 0.828 10.133 ( -0.588 0.000 1.208) 1.343 10.141 ( 0.670 0.000 0.483) 0.826 10.158 ( -0.010 0.000 3.844) 3.844 10.160 ( -0.113 0.000 0.541) 0.552 10.264 ( 2.194 0.000 -3.230) 3.904 10.289 ( 0.512 0.000 -2.445) 2.498 10.373 ( -0.721 0.000 -1.955) 2.084 10.382 ( 1.981 0.000 -2.001) 2.816 10.433 ( -3.033 0.000 0.052) 3.033 10.633 ( -2.706 0.000 7.005) 7.509 10.650 ( -0.154 0.000 1.901) 1.907 10.689 ( -0.419 0.000 4.715) 4.733 10.772 ( 1.221 0.000 0.254) 1.247 10.815 ( 1.295 0.000 -0.192) 1.310 10.923 ( -3.037 0.000 -3.933) 4.969 10.939 ( -3.341 0.000 -1.132) 3.528 10.964 ( -1.054 0.000 -0.476) 1.156 11.139 ( 0.150 0.000 2.606) 2.611 11.146 ( 1.293 0.000 -1.393) 1.901 11.155 ( -1.202 0.000 0.099) 1.206 11.228 ( -0.750 0.000 1.087) 1.321 11.263 ( 1.097 0.000 0.152) 1.108 11.338 ( 0.116 0.000 -2.594) 2.596 11.500 ( 1.683 0.000 0.203) 1.695 11.617 ( -3.963 0.000 -3.039) 4.994 ======================= Grid point 28 (13/33) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -15.581 0.000 8.933) 17.960 0.952 ( -18.826 0.000 7.509) 20.268 1.234 ( 7.683 0.000 -2.187) 7.989 1.380 ( 6.225 0.000 -3.112) 6.960 1.404 ( 11.387 0.000 3.040) 11.786 1.558 ( -11.575 0.000 6.504) 13.278 1.575 ( 3.882 0.000 -10.370) 11.073 1.615 ( 3.804 0.000 -7.508) 8.416 1.664 ( -1.296 0.000 -6.739) 6.862 1.715 ( -5.427 0.000 -6.560) 8.514 1.791 ( -3.524 0.000 1.569) 3.857 1.832 ( -5.160 0.000 -3.523) 6.248 1.874 ( -1.753 0.000 -0.070) 1.754 1.895 ( -0.823 0.000 2.103) 2.258 1.915 ( -2.376 0.000 2.397) 3.375 1.991 ( 0.603 0.000 2.924) 2.986 2.089 ( -3.077 0.000 0.872) 3.198 2.115 ( 0.741 0.000 0.376) 0.831 2.131 ( -0.414 0.000 2.866) 2.896 2.156 ( -0.502 0.000 -0.451) 0.675 2.266 ( 0.953 0.000 2.308) 2.497 2.308 ( -3.396 0.000 2.972) 4.513 2.331 ( 3.290 0.000 -0.130) 3.292 2.355 ( -6.288 0.000 -3.131) 7.024 2.384 ( 1.813 0.000 0.070) 1.815 2.405 ( -2.253 0.000 0.239) 2.265 2.412 ( 2.016 0.000 3.814) 4.314 2.490 ( 3.416 0.000 -0.413) 3.441 2.498 ( -0.856 0.000 1.132) 1.419 2.521 ( -0.213 0.000 0.405) 0.457 2.535 ( 5.826 0.000 1.750) 6.084 2.552 ( 1.392 0.000 -1.061) 1.751 2.622 ( -2.309 0.000 -3.099) 3.864 2.652 ( 1.266 0.000 0.566) 1.387 2.680 ( 5.274 0.000 4.121) 6.693 2.737 ( -0.793 0.000 2.083) 2.229 2.795 ( 1.400 0.000 -1.277) 1.895 2.819 ( 0.666 0.000 -1.454) 1.599 2.836 ( 2.018 0.000 1.164) 2.330 2.940 ( 0.521 0.000 4.360) 4.391 2.977 ( 0.239 0.000 -4.017) 4.024 3.000 ( -0.649 0.000 -4.554) 4.600 3.132 ( -2.911 0.000 -2.877) 4.093 3.141 ( 4.507 0.000 -5.575) 7.169 3.206 ( 1.163 0.000 -2.791) 3.024 3.227 ( 2.222 0.000 -4.907) 5.386 3.254 ( 1.963 0.000 5.854) 6.174 3.277 ( -2.628 0.000 -4.649) 5.340 3.325 ( -1.750 0.000 -1.909) 2.589 3.372 ( 0.305 0.000 -5.241) 5.250 3.399 ( -2.188 0.000 -3.099) 3.794 3.454 ( 0.293 0.000 -3.069) 3.083 3.472 ( 2.264 0.000 4.141) 4.719 3.561 ( -2.292 0.000 1.464) 2.719 3.627 ( 1.253 0.000 -1.110) 1.674 3.641 ( -1.416 0.000 2.664) 3.017 3.663 ( 1.790 0.000 2.979) 3.475 3.759 ( 3.025 0.000 -1.267) 3.279 3.770 ( 0.523 0.000 0.247) 0.578 3.780 ( 2.719 0.000 -0.105) 2.721 3.814 ( 1.073 0.000 4.357) 4.487 3.878 ( -3.759 0.000 2.115) 4.313 3.944 ( -0.657 0.000 7.569) 7.597 3.944 ( 0.257 0.000 1.042) 1.073 3.979 ( 1.215 0.000 0.938) 1.535 4.081 ( 0.205 0.000 5.284) 5.288 4.091 ( -3.695 0.000 -2.198) 4.299 4.174 ( -1.037 0.000 -1.273) 1.642 4.289 ( -0.210 0.000 -2.443) 2.452 4.311 ( 3.415 0.000 -0.661) 3.478 4.369 ( -0.954 0.000 -1.538) 1.810 4.405 ( 2.522 0.000 0.558) 2.583 4.428 ( 1.416 0.000 -0.445) 1.484 4.447 ( 1.824 0.000 -1.606) 2.430 4.460 ( -3.021 0.000 -2.028) 3.639 4.492 ( -0.300 0.000 -0.608) 0.678 4.530 ( -1.786 0.000 -3.014) 3.503 4.554 ( -2.447 0.000 -3.330) 4.133 4.677 ( 2.566 0.000 1.930) 3.211 4.688 ( 1.229 0.000 -0.955) 1.556 4.730 ( 1.634 0.000 -1.596) 2.284 4.740 ( -0.747 0.000 -2.952) 3.045 4.779 ( -2.869 0.000 4.518) 5.352 4.941 ( 0.944 0.000 -1.858) 2.084 5.042 ( 0.372 0.000 1.779) 1.818 5.133 ( -1.101 0.000 -1.671) 2.001 5.170 ( -0.975 0.000 -1.305) 1.629 5.190 ( 3.313 0.000 1.324) 3.568 5.278 ( -0.276 0.000 1.409) 1.435 5.302 ( 0.357 0.000 0.697) 0.783 5.379 ( -0.400 0.000 -0.921) 1.004 5.381 ( 0.972 0.000 -0.893) 1.320 5.445 ( 2.164 0.000 1.421) 2.588 5.531 ( -0.102 0.000 -3.100) 3.102 5.541 ( -1.201 0.000 3.576) 3.772 5.690 ( -0.535 0.000 -2.453) 2.511 5.740 ( -4.742 0.000 -1.357) 4.932 5.858 ( -3.330 0.000 0.063) 3.330 5.909 ( 0.895 0.000 2.745) 2.887 5.946 ( -5.048 0.000 -1.892) 5.391 5.996 ( 2.224 0.000 -0.692) 2.329 6.057 ( 2.374 0.000 -1.354) 2.733 6.146 ( 2.940 0.000 0.056) 2.940 6.169 ( 1.843 0.000 -0.223) 1.856 6.252 ( -0.633 0.000 -0.015) 0.634 6.303 ( 4.218 0.000 -1.903) 4.627 6.420 ( -2.571 0.000 1.504) 2.979 6.437 ( 1.708 0.000 2.073) 2.686 6.471 ( -2.250 0.000 0.420) 2.289 6.512 ( 0.874 0.000 6.177) 6.239 6.597 ( 2.412 0.000 0.889) 2.570 6.620 ( -0.832 0.000 -1.310) 1.552 6.687 ( 1.214 0.000 3.594) 3.793 6.976 ( -2.168 0.000 2.335) 3.187 6.985 ( 3.131 0.000 -8.616) 9.167 7.054 ( 0.088 0.000 -3.965) 3.966 7.227 ( 0.051 0.000 0.367) 0.370 7.230 ( -0.733 0.000 -0.233) 0.769 7.258 ( -0.887 0.000 0.513) 1.024 7.276 ( 0.492 0.000 -2.107) 2.164 7.396 ( 1.499 0.000 6.403) 6.577 7.407 ( -0.351 0.000 3.730) 3.747 7.662 ( 1.895 0.000 2.374) 3.037 7.668 ( -1.420 0.000 -0.632) 1.554 7.791 ( -0.727 0.000 -0.624) 0.958 7.843 ( -0.737 0.000 -1.408) 1.589 7.878 ( 0.956 0.000 1.581) 1.848 7.944 ( 0.902 0.000 -2.872) 3.010 8.018 ( -1.175 0.000 0.259) 1.204 8.058 ( 2.470 0.000 2.097) 3.240 8.245 ( -0.106 0.000 1.343) 1.347 8.269 ( 0.122 0.000 0.261) 0.288 8.561 ( 0.502 0.000 0.583) 0.769 8.685 ( 0.179 0.000 -4.819) 4.823 8.742 ( -2.774 0.000 3.982) 4.853 8.927 ( 4.168 0.000 1.065) 4.302 9.349 ( -1.549 0.000 -0.443) 1.611 9.387 ( 1.274 0.000 -0.315) 1.313 9.417 ( -1.805 0.000 -0.974) 2.051 9.423 ( -0.430 0.000 0.909) 1.006 9.488 ( 0.987 0.000 0.569) 1.139 9.554 ( 0.715 0.000 -1.006) 1.234 9.637 ( -0.897 0.000 2.938) 3.071 9.685 ( -0.320 0.000 0.828) 0.888 9.715 ( -2.514 0.000 -0.256) 2.527 9.742 ( 1.514 0.000 -0.668) 1.655 9.763 ( 0.075 0.000 -1.195) 1.198 9.781 ( -0.002 0.000 -0.211) 0.211 9.820 ( -0.572 0.000 -1.750) 1.841 9.837 ( 5.041 0.000 -1.009) 5.141 9.917 ( 1.310 0.000 1.596) 2.064 9.937 ( 1.112 0.000 0.791) 1.364 10.070 ( -0.961 0.000 -0.170) 0.976 10.075 ( -0.145 0.000 0.273) 0.309 10.127 ( -0.265 0.000 1.062) 1.095 10.132 ( 0.457 0.000 0.660) 0.803 10.138 ( -0.818 0.000 -0.568) 0.995 10.165 ( 0.376 0.000 2.017) 2.052 10.168 ( 0.147 0.000 3.162) 3.165 10.297 ( 1.741 0.000 -5.726) 5.985 10.305 ( 2.261 0.000 -1.058) 2.496 10.353 ( -3.219 0.000 -3.082) 4.457 10.357 ( -0.277 0.000 1.017) 1.054 10.396 ( -0.543 0.000 -1.340) 1.446 10.624 ( -0.022 0.000 9.398) 9.398 10.635 ( -1.706 0.000 1.570) 2.319 10.690 ( -1.145 0.000 4.838) 4.971 10.814 ( -1.491 0.000 -1.725) 2.280 10.842 ( 4.578 0.000 2.684) 5.307 10.862 ( -0.573 0.000 -3.950) 3.991 10.911 ( 1.723 0.000 -1.363) 2.197 10.991 ( 2.626 0.000 -2.369) 3.537 11.138 ( -0.643 0.000 -0.049) 0.645 11.147 ( -0.220 0.000 2.871) 2.879 11.151 ( -0.492 0.000 -0.705) 0.860 11.201 ( -1.677 0.000 -0.063) 1.678 11.285 ( 0.702 0.000 0.437) 0.827 11.341 ( 0.740 0.000 -2.334) 2.448 11.522 ( 0.455 0.000 1.148) 1.235 11.592 ( 1.821 0.000 -4.117) 4.502 ======================= Grid point 29 (14/33) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -15.865 0.000 13.937) 21.117 0.623 ( -16.734 0.000 15.579) 22.863 1.138 ( -24.841 0.000 24.301) 34.751 1.314 ( -4.584 0.000 -14.289) 15.006 1.371 ( 0.938 0.000 -7.443) 7.502 1.591 ( 0.191 0.000 0.742) 0.766 1.596 ( 0.353 0.000 -2.257) 2.284 1.649 ( 5.932 0.000 1.673) 6.164 1.720 ( 0.954 0.000 -2.450) 2.629 1.721 ( 1.346 0.000 -0.846) 1.590 1.771 ( 2.449 0.000 -6.233) 6.697 1.776 ( 9.061 0.000 2.266) 9.340 1.853 ( -1.643 0.000 4.911) 5.179 1.899 ( 3.452 0.000 -0.668) 3.516 1.947 ( 1.551 0.000 0.038) 1.551 2.008 ( 1.014 0.000 2.526) 2.721 2.049 ( -1.222 0.000 1.471) 1.912 2.090 ( -3.040 0.000 -3.143) 4.373 2.139 ( 0.178 0.000 -4.663) 4.667 2.171 ( 2.039 0.000 3.504) 4.054 2.210 ( -2.453 0.000 -6.394) 6.849 2.238 ( -7.083 0.000 -0.156) 7.085 2.284 ( -0.104 0.000 -1.938) 1.941 2.317 ( 0.876 0.000 1.984) 2.169 2.398 ( -8.249 0.000 1.630) 8.409 2.401 ( 0.706 0.000 -3.272) 3.347 2.445 ( 1.643 0.000 -1.034) 1.941 2.450 ( 0.374 0.000 0.014) 0.375 2.491 ( -1.475 0.000 0.103) 1.478 2.537 ( 2.247 0.000 3.197) 3.907 2.578 ( 1.140 0.000 2.060) 2.354 2.604 ( -0.183 0.000 -2.648) 2.654 2.618 ( 2.347 0.000 -1.603) 2.843 2.679 ( 2.253 0.000 -2.589) 3.431 2.738 ( 0.725 0.000 5.768) 5.814 2.802 ( 1.187 0.000 -0.828) 1.447 2.845 ( -1.999 0.000 3.807) 4.300 2.854 ( 2.073 0.000 -5.817) 6.175 2.854 ( 6.579 0.000 -0.210) 6.582 2.889 ( -3.631 0.000 2.294) 4.295 2.984 ( 0.394 0.000 -7.243) 7.253 3.043 ( -3.618 0.000 -3.059) 4.738 3.044 ( 2.288 0.000 -7.721) 8.053 3.158 ( -1.998 0.000 -6.099) 6.418 3.195 ( 0.333 0.000 2.483) 2.505 3.221 ( -2.736 0.000 -2.960) 4.030 3.253 ( 1.882 0.000 -4.348) 4.737 3.279 ( 0.356 0.000 -0.493) 0.608 3.324 ( 1.045 0.000 10.374) 10.427 3.374 ( 2.775 0.000 -3.626) 4.566 3.375 ( 0.747 0.000 -0.573) 0.941 3.467 ( 1.913 0.000 -4.839) 5.203 3.526 ( -0.413 0.000 4.046) 4.067 3.539 ( -0.130 0.000 1.752) 1.757 3.590 ( -2.911 0.000 3.357) 4.443 3.658 ( 1.511 0.000 1.770) 2.327 3.734 ( 3.176 0.000 2.761) 4.208 3.776 ( -1.083 0.000 4.168) 4.306 3.779 ( -1.586 0.000 3.273) 3.638 3.825 ( 0.884 0.000 -3.119) 3.242 3.848 ( 2.385 0.000 0.396) 2.417 3.850 ( 1.659 0.000 1.730) 2.397 3.942 ( -1.849 0.000 5.341) 5.652 3.948 ( -1.313 0.000 1.245) 1.810 3.997 ( 0.173 0.000 3.726) 3.730 4.027 ( -1.097 0.000 -2.380) 2.620 4.127 ( 3.042 0.000 2.726) 4.084 4.187 ( 2.663 0.000 -2.051) 3.361 4.307 ( 2.571 0.000 -3.654) 4.468 4.326 ( -2.818 0.000 0.093) 2.820 4.350 ( -0.421 0.000 -0.693) 0.811 4.407 ( -0.890 0.000 -2.149) 2.326 4.439 ( 1.861 0.000 -1.154) 2.190 4.458 ( -1.224 0.000 -3.827) 4.018 4.487 ( 5.142 0.000 0.438) 5.161 4.500 ( -1.638 0.000 -0.941) 1.889 4.521 ( 1.711 0.000 0.989) 1.976 4.522 ( 2.161 0.000 1.292) 2.518 4.683 ( -0.850 0.000 -3.432) 3.536 4.705 ( -0.365 0.000 2.712) 2.737 4.708 ( -3.811 0.000 4.922) 6.225 4.734 ( 0.845 0.000 -0.647) 1.065 4.775 ( 1.075 0.000 -0.853) 1.372 4.949 ( -0.060 0.000 -1.814) 1.815 5.052 ( 0.418 0.000 1.212) 1.283 5.102 ( -0.972 0.000 -3.067) 3.218 5.172 ( 1.998 0.000 -3.001) 3.605 5.245 ( 0.210 0.000 3.047) 3.055 5.293 ( 2.169 0.000 1.020) 2.396 5.317 ( 0.647 0.000 0.476) 0.803 5.370 ( -0.180 0.000 -1.272) 1.285 5.388 ( -0.566 0.000 -0.794) 0.975 5.497 ( 2.074 0.000 2.248) 3.059 5.537 ( 1.750 0.000 -3.402) 3.826 5.558 ( 2.306 0.000 3.657) 4.323 5.638 ( -5.114 0.000 -1.179) 5.248 5.656 ( -2.037 0.000 0.743) 2.168 5.768 ( -4.381 0.000 -1.187) 4.539 5.834 ( -4.190 0.000 -0.283) 4.199 5.921 ( -0.933 0.000 3.815) 3.928 6.052 ( 2.266 0.000 -0.834) 2.415 6.094 ( 2.906 0.000 -3.695) 4.701 6.197 ( 1.734 0.000 -1.208) 2.113 6.214 ( 2.061 0.000 0.074) 2.062 6.251 ( 0.809 0.000 2.366) 2.500 6.387 ( 3.715 0.000 -2.512) 4.485 6.398 ( 0.299 0.000 -3.604) 3.616 6.446 ( 0.208 0.000 0.889) 0.913 6.449 ( -1.616 0.000 3.420) 3.783 6.536 ( -1.787 0.000 -1.215) 2.161 6.622 ( 2.955 0.000 4.307) 5.223 6.631 ( 0.496 0.000 1.545) 1.623 6.746 ( 3.659 0.000 4.305) 5.649 6.915 ( -4.694 0.000 2.981) 5.561 6.994 ( -0.547 0.000 -12.191) 12.203 7.022 ( -1.270 0.000 -2.211) 2.550 7.218 ( -0.356 0.000 -0.449) 0.573 7.227 ( -0.140 0.000 0.527) 0.545 7.255 ( 0.273 0.000 -0.973) 1.011 7.276 ( 0.165 0.000 -2.358) 2.364 7.410 ( -0.425 0.000 3.336) 3.363 7.437 ( 0.424 0.000 3.461) 3.487 7.652 ( -0.004 0.000 -0.268) 0.268 7.697 ( -0.510 0.000 1.552) 1.634 7.784 ( 0.557 0.000 1.840) 1.923 7.829 ( -0.297 0.000 -0.213) 0.365 7.927 ( 2.069 0.000 -0.076) 2.070 7.948 ( 0.485 0.000 -3.699) 3.730 8.043 ( 6.282 0.000 4.326) 7.628 8.115 ( 1.642 0.000 4.466) 4.758 8.250 ( 0.173 0.000 1.381) 1.392 8.277 ( 0.547 0.000 -0.283) 0.615 8.585 ( 1.786 0.000 0.744) 1.935 8.687 ( 1.192 0.000 -3.228) 3.441 8.696 ( -2.604 0.000 2.964) 3.946 8.985 ( 0.449 0.000 -3.318) 3.348 9.312 ( -0.983 0.000 0.445) 1.079 9.397 ( -0.377 0.000 0.453) 0.590 9.403 ( -0.285 0.000 0.275) 0.396 9.416 ( 0.108 0.000 -0.157) 0.191 9.512 ( 0.855 0.000 0.787) 1.162 9.555 ( -0.188 0.000 -1.713) 1.723 9.635 ( 0.032 0.000 2.372) 2.372 9.671 ( -1.333 0.000 1.836) 2.269 9.678 ( -1.262 0.000 0.651) 1.420 9.763 ( 0.192 0.000 -1.514) 1.526 9.779 ( 2.285 0.000 -1.038) 2.510 9.785 ( 0.252 0.000 0.818) 0.856 9.822 ( 1.262 0.000 -0.361) 1.313 9.924 ( 1.367 0.000 0.050) 1.367 9.947 ( -0.115 0.000 -1.468) 1.473 9.955 ( 3.941 0.000 -0.969) 4.059 10.052 ( -0.537 0.000 -0.574) 0.786 10.070 ( -0.377 0.000 1.853) 1.891 10.115 ( -0.491 0.000 -1.702) 1.771 10.135 ( -0.130 0.000 1.736) 1.740 10.135 ( -0.182 0.000 1.171) 1.185 10.169 ( -0.530 0.000 -0.844) 0.996 10.177 ( -0.240 0.000 2.087) 2.101 10.296 ( -0.827 0.000 -3.957) 4.042 10.300 ( -0.822 0.000 -2.321) 2.462 10.327 ( 1.102 0.000 -5.270) 5.384 10.382 ( -0.098 0.000 -0.263) 0.281 10.418 ( 4.191 0.000 6.457) 7.697 10.604 ( -1.685 0.000 1.732) 2.416 10.665 ( -2.420 0.000 3.586) 4.326 10.721 ( 5.157 0.000 7.097) 8.773 10.806 ( 5.474 0.000 5.763) 7.949 10.865 ( 1.683 0.000 -3.195) 3.612 10.941 ( 3.772 0.000 1.041) 3.913 10.973 ( 4.406 0.000 1.078) 4.536 11.023 ( 1.217 0.000 -3.601) 3.801 11.117 ( -1.580 0.000 -1.452) 2.145 11.125 ( -1.364 0.000 1.270) 1.864 11.153 ( 0.375 0.000 4.531) 4.546 11.184 ( -0.172 0.000 -0.056) 0.181 11.287 ( -0.616 0.000 0.146) 0.633 11.354 ( 1.361 0.000 -2.271) 2.648 11.520 ( -1.372 0.000 1.738) 2.214 11.569 ( -5.669 0.000 -11.094) 12.458 ======================= Grid point 30 (15/33) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -6.365 13.169 13.885) 20.167 0.701 ( -6.567 15.310 18.053) 24.565 1.167 ( 1.363 23.932 21.662) 32.308 1.257 ( 0.960 3.130 -14.914) 15.269 1.425 ( 1.987 3.861 -10.670) 11.519 1.520 ( -0.903 -4.250 1.518) 4.602 1.569 ( -2.943 -4.040 1.208) 5.142 1.594 ( -1.070 -10.028 3.225) 10.588 1.638 ( 2.223 -6.096 -1.673) 6.701 1.754 ( -1.171 -0.563 0.454) 1.376 1.769 ( 3.640 -0.397 -2.307) 4.328 1.808 ( 0.223 -4.528 -1.308) 4.719 1.903 ( 0.811 -2.346 -0.334) 2.505 1.953 ( -2.320 -0.468 2.379) 3.355 1.962 ( 3.308 -0.755 4.401) 5.557 2.040 ( -1.260 -1.926 -1.626) 2.818 2.054 ( 0.901 0.396 -2.001) 2.230 2.074 ( -0.399 0.742 -2.460) 2.600 2.132 ( -0.903 1.954 -2.226) 3.096 2.145 ( 0.731 0.317 4.600) 4.668 2.197 ( 1.152 2.454 -3.713) 4.598 2.263 ( -1.355 1.871 -1.539) 2.776 2.293 ( 2.761 0.207 -1.333) 3.072 2.329 ( 0.168 3.281 0.645) 3.348 2.347 ( 2.319 6.433 -0.607) 6.866 2.369 ( 0.570 -1.913 -2.522) 3.217 2.415 ( -0.006 0.150 -1.331) 1.339 2.446 ( -2.034 0.542 0.177) 2.113 2.541 ( 0.662 2.624 -1.805) 3.253 2.563 ( 1.248 -0.965 -0.228) 1.594 2.596 ( -0.761 -0.746 5.152) 5.261 2.630 ( -2.083 3.474 -0.672) 4.106 2.682 ( -0.691 2.998 -0.762) 3.170 2.699 ( -1.845 1.067 1.909) 2.861 2.719 ( 1.451 -0.607 0.728) 1.733 2.771 ( -2.429 -0.824 -0.783) 2.682 2.806 ( -0.521 -1.917 -3.030) 3.623 2.863 ( 1.712 1.653 -7.823) 8.177 2.898 ( -0.425 3.217 -0.383) 3.268 2.915 ( -3.096 2.023 1.559) 4.013 2.977 ( -0.642 2.257 -6.223) 6.651 3.015 ( 0.233 2.633 -3.648) 4.505 3.059 ( 2.350 2.942 -1.200) 3.952 3.117 ( -2.148 1.940 -2.534) 3.847 3.159 ( -1.230 -0.122 1.401) 1.868 3.240 ( 3.571 -2.004 -0.342) 4.109 3.255 ( 2.568 -4.352 -0.852) 5.125 3.307 ( -0.881 -1.754 -2.111) 2.883 3.364 ( 0.515 0.205 1.100) 1.232 3.381 ( 0.706 -4.532 0.085) 4.588 3.420 ( 0.765 -0.007 4.603) 4.666 3.449 ( 2.203 -0.673 -0.305) 2.324 3.485 ( -0.909 -2.034 0.592) 2.306 3.532 ( -2.423 -1.261 4.297) 5.092 3.627 ( 3.634 1.118 5.359) 6.571 3.667 ( -1.336 -3.174 2.843) 4.465 3.703 ( -0.763 -2.103 5.893) 6.303 3.724 ( 0.349 -1.628 2.588) 3.077 3.758 ( -2.537 -4.309 1.706) 5.284 3.800 ( -0.955 -0.327 0.701) 1.229 3.810 ( -0.131 -4.801 1.935) 5.178 3.868 ( -0.616 0.502 -2.650) 2.766 3.904 ( 1.074 0.047 -0.985) 1.458 3.953 ( -1.121 2.548 -1.331) 3.086 4.030 ( 1.803 -1.003 -1.468) 2.532 4.055 ( 0.388 1.555 0.867) 1.822 4.151 ( -0.196 -2.819 0.617) 2.893 4.159 ( -0.811 -1.115 -1.306) 1.899 4.250 ( -0.788 -1.999 -0.840) 2.307 4.330 ( 1.181 -5.484 2.186) 6.021 4.370 ( 0.767 -2.049 -2.706) 3.480 4.398 ( -0.811 -1.674 -1.875) 2.641 4.414 ( 0.551 1.042 -0.228) 1.200 4.458 ( 0.561 -0.098 -1.942) 2.024 4.474 ( -0.109 1.267 -1.216) 1.759 4.503 ( -2.772 0.697 -0.062) 2.859 4.538 ( 1.247 -1.759 2.800) 3.534 4.600 ( -2.134 -2.534 2.092) 3.918 4.636 ( 4.382 0.228 0.471) 4.413 4.667 ( 0.398 -0.941 -0.447) 1.115 4.696 ( -1.041 -0.236 1.544) 1.877 4.767 ( 1.505 1.266 -0.178) 1.974 4.808 ( 1.035 0.234 1.077) 1.512 4.896 ( -1.694 -1.781 -2.596) 3.575 5.039 ( -1.956 -0.770 0.784) 2.244 5.078 ( -0.084 0.574 -0.881) 1.055 5.141 ( -2.418 -3.475 1.317) 4.433 5.222 ( 2.856 -2.251 -3.251) 4.878 5.316 ( -1.464 0.045 0.433) 1.527 5.331 ( 0.063 0.497 0.621) 0.797 5.357 ( -0.176 1.227 -1.173) 1.707 5.390 ( -0.340 2.923 -1.073) 3.132 5.495 ( -2.367 -0.287 1.511) 2.823 5.540 ( -2.860 -1.646 1.387) 3.579 5.595 ( 0.820 0.556 0.472) 1.098 5.640 ( 0.059 -0.405 1.961) 2.003 5.672 ( 5.185 1.987 0.981) 5.639 5.751 ( 1.305 3.903 -5.088) 6.544 5.865 ( 2.705 0.211 0.404) 2.743 5.915 ( -0.164 0.243 0.497) 0.577 6.061 ( -1.074 0.600 -0.640) 1.387 6.137 ( -3.567 0.128 -2.071) 4.126 6.166 ( -0.639 -3.281 0.841) 3.446 6.199 ( -4.028 -2.268 1.087) 4.749 6.221 ( 0.546 -3.442 1.302) 3.720 6.294 ( -0.296 -3.346 2.347) 4.098 6.371 ( 2.336 -0.279 -2.444) 3.392 6.426 ( 0.490 0.163 -1.073) 1.191 6.493 ( -2.275 4.486 1.739) 5.322 6.530 ( 1.402 3.408 0.022) 3.685 6.625 ( -0.526 -0.471 2.246) 2.355 6.685 ( -0.474 -1.111 -0.898) 1.505 6.759 ( 3.616 -4.519 5.637) 8.080 6.805 ( -2.555 -2.404 1.596) 3.854 6.844 ( 3.877 -0.496 4.382) 5.872 6.986 ( -1.341 -2.663 -0.996) 3.144 7.197 ( -0.637 0.756 1.830) 2.080 7.270 ( 0.071 -1.176 0.656) 1.348 7.292 ( -0.477 5.150 -0.710) 5.221 7.347 ( 1.139 7.156 -0.127) 7.247 7.419 ( -0.516 3.362 4.346) 5.519 7.613 ( 1.244 1.035 -2.794) 3.229 7.690 ( 0.634 2.004 -0.152) 2.107 7.702 ( -2.083 2.700 -2.875) 4.460 7.803 ( 0.243 -2.732 0.996) 2.918 7.844 ( 0.658 3.356 -0.916) 3.541 7.868 ( 0.232 -2.716 -2.873) 3.960 7.964 ( -0.998 0.972 -4.499) 4.710 8.088 ( -2.659 -3.520 2.977) 5.322 8.175 ( 2.769 -5.392 -1.340) 6.208 8.298 ( 0.177 2.776 0.443) 2.817 8.340 ( 3.737 1.968 -1.014) 4.343 8.612 ( 0.001 0.390 1.126) 1.192 8.690 ( 1.583 -1.465 -0.155) 2.163 8.715 ( 1.230 1.427 0.917) 2.095 8.803 ( -7.296 -1.864 -0.593) 7.553 9.312 ( 1.428 -2.570 1.422) 3.266 9.353 ( -0.487 -2.669 0.239) 2.724 9.380 ( 0.425 -1.216 -0.336) 1.331 9.431 ( 0.520 -1.865 -1.980) 2.769 9.563 ( -1.261 3.048 -0.166) 3.303 9.576 ( 1.226 3.209 -0.719) 3.509 9.661 ( -0.384 0.809 1.792) 2.003 9.676 ( 0.358 1.692 2.209) 2.805 9.712 ( -0.731 2.369 0.565) 2.543 9.768 ( 0.236 -0.870 -1.020) 1.361 9.796 ( 0.718 0.670 -0.175) 0.997 9.811 ( -0.340 1.997 1.287) 2.400 9.865 ( 0.654 1.312 1.090) 1.827 9.906 ( -1.068 0.477 -2.063) 2.372 9.968 ( -1.267 3.243 -1.997) 4.014 10.019 ( 0.256 0.251 -3.651) 3.669 10.045 ( 1.076 2.444 0.297) 2.687 10.086 ( -0.093 -1.197 0.049) 1.202 10.099 ( 0.280 1.333 1.134) 1.773 10.126 ( -0.876 -1.370 1.012) 1.916 10.156 ( -0.275 1.217 0.447) 1.325 10.161 ( 0.076 0.982 0.073) 0.987 10.181 ( -1.656 1.960 -1.558) 3.002 10.245 ( -0.308 -0.548 -1.018) 1.197 10.280 ( -0.096 -0.339 -1.080) 1.136 10.345 ( 0.268 1.511 -2.547) 2.974 10.375 ( 0.671 -2.708 3.196) 4.242 10.442 ( -2.734 -0.540 0.897) 2.927 10.596 ( 0.364 0.574 2.572) 2.660 10.635 ( -0.134 0.036 3.469) 3.472 10.725 ( 0.905 -1.998 -2.836) 3.585 10.750 ( -1.583 -6.220 4.630) 7.915 10.920 ( -1.561 -0.230 -0.607) 1.691 10.942 ( -2.652 -0.330 -2.565) 3.704 11.016 ( 0.156 -0.209 0.944) 0.980 11.059 ( 1.254 0.338 -0.569) 1.418 11.127 ( -0.308 0.980 1.342) 1.690 11.140 ( 0.075 1.301 1.701) 2.142 11.183 ( 0.519 0.122 0.413) 0.674 11.258 ( -2.864 0.015 -2.391) 3.731 11.299 ( -5.130 -1.717 0.990) 5.499 11.376 ( 2.749 -0.570 -0.525) 2.857 11.432 ( 11.026 -3.288 -2.108) 11.697 11.462 ( 0.986 -2.879 -1.435) 3.365 ======================= Grid point 31 (16/33) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 14.015 9.553 10.812) 20.114 0.758 ( 6.608 9.973 16.847) 20.662 1.269 ( 4.162 2.140 -13.809) 14.580 1.353 ( 5.374 11.462 10.167) 16.236 1.439 ( 2.040 1.812 -8.791) 9.205 1.519 ( -0.133 0.216 -1.858) 1.875 1.558 ( 4.886 -0.065 4.346) 6.539 1.580 ( -1.638 -2.685 0.555) 3.193 1.669 ( 0.823 -7.621 2.750) 8.144 1.707 ( -1.163 -5.461 -0.923) 5.659 1.775 ( -4.897 -2.483 1.388) 5.663 1.839 ( -1.685 -4.091 -0.146) 4.427 1.864 ( 3.330 -2.427 1.823) 4.505 1.937 ( 1.856 0.522 1.408) 2.387 1.985 ( -4.484 1.848 -4.102) 6.352 2.002 ( 0.170 -3.165 -4.924) 5.856 2.041 ( 3.308 -1.182 1.780) 3.938 2.096 ( 1.314 1.838 -0.792) 2.394 2.151 ( 0.902 2.188 0.774) 2.490 2.160 ( -0.677 2.499 4.314) 5.031 2.209 ( 1.281 -0.152 -3.084) 3.343 2.271 ( -3.743 3.247 -2.542) 5.569 2.285 ( 2.352 1.682 -1.283) 3.164 2.344 ( 0.525 0.156 -0.072) 0.552 2.369 ( 0.393 -1.246 -0.215) 1.324 2.394 ( 0.551 2.316 0.328) 2.403 2.427 ( 2.126 1.953 -1.493) 3.250 2.457 ( 1.717 2.891 3.900) 5.150 2.509 ( -4.927 -4.971 -2.741) 7.517 2.559 ( -1.647 0.582 1.488) 2.295 2.577 ( -0.679 2.992 3.164) 4.408 2.605 ( -1.678 0.336 0.925) 1.945 2.631 ( -0.849 1.370 -0.984) 1.889 2.679 ( -0.981 3.116 -0.243) 3.276 2.728 ( -0.299 0.185 -1.091) 1.147 2.760 ( 2.450 2.531 0.401) 3.545 2.822 ( 0.372 -0.959 0.575) 1.179 2.860 ( -1.190 2.767 -0.833) 3.125 2.879 ( -3.009 2.936 0.402) 4.224 2.893 ( 3.803 5.441 -11.575) 13.344 2.919 ( -1.518 -0.121 -0.992) 1.818 3.029 ( 1.294 3.658 -0.956) 3.996 3.062 ( -1.042 2.198 -0.508) 2.485 3.096 ( 1.183 0.900 -3.791) 4.072 3.187 ( 2.359 -2.584 -1.450) 3.787 3.245 ( -2.069 -2.584 0.123) 3.312 3.302 ( 0.692 -2.367 -1.726) 3.010 3.307 ( 0.943 -0.350 -0.438) 1.097 3.357 ( -0.339 -0.000 -1.991) 2.019 3.380 ( -1.721 -0.980 2.651) 3.309 3.458 ( 1.616 -5.120 -0.507) 5.393 3.461 ( -0.013 -1.125 -0.609) 1.279 3.487 ( 0.116 -1.329 0.108) 1.339 3.524 ( 0.899 0.753 0.880) 1.466 3.631 ( -3.211 -2.401 3.144) 5.095 3.656 ( -0.609 -2.273 4.066) 4.698 3.668 ( -3.472 -1.330 6.246) 7.269 3.709 ( -2.160 -2.162 -0.398) 3.082 3.756 ( -0.456 -1.129 3.873) 4.060 3.770 ( -2.085 -1.245 -0.140) 2.432 3.823 ( -2.474 1.305 -2.710) 3.894 3.844 ( 3.400 -5.250 2.722) 6.822 3.914 ( 0.860 3.265 -0.721) 3.452 3.961 ( 1.480 -0.421 0.632) 1.663 4.020 ( -3.517 -1.716 1.844) 4.327 4.070 ( -0.549 -2.760 -3.280) 4.322 4.137 ( 2.187 0.639 -0.291) 2.297 4.154 ( 0.587 0.011 1.924) 2.012 4.245 ( -0.203 -4.097 -0.405) 4.122 4.310 ( -4.769 -3.958 -0.024) 6.198 4.329 ( -2.641 -4.639 -1.803) 5.635 4.373 ( 0.343 -3.557 -0.473) 3.604 4.436 ( 0.205 1.184 1.176) 1.681 4.447 ( -1.723 0.855 0.080) 1.926 4.476 ( 0.929 -1.675 -3.267) 3.786 4.509 ( -0.417 0.051 0.595) 0.728 4.521 ( 0.487 -1.047 0.321) 1.199 4.578 ( 0.809 0.582 -0.491) 1.111 4.664 ( -1.039 3.288 1.139) 3.631 4.692 ( 0.693 -3.732 0.419) 3.819 4.705 ( 1.860 0.054 -2.231) 2.905 4.764 ( -1.700 1.719 1.324) 2.756 4.833 ( 0.464 -0.880 1.757) 2.019 4.879 ( 0.428 -1.892 -1.955) 2.754 5.022 ( 0.381 -0.030 0.175) 0.420 5.081 ( 0.990 1.480 -0.020) 1.781 5.127 ( 0.804 -2.326 -1.719) 3.002 5.226 ( -1.358 -2.663 -0.372) 3.012 5.304 ( -0.003 -0.126 0.107) 0.165 5.333 ( 0.233 0.138 0.177) 0.324 5.365 ( 0.229 2.684 -0.386) 2.721 5.387 ( 0.637 1.564 -0.492) 1.759 5.427 ( -4.030 -0.277 1.689) 4.379 5.498 ( -2.339 -3.511 2.897) 5.118 5.611 ( 0.575 -0.715 -0.626) 1.110 5.658 ( 1.513 2.054 -0.152) 2.556 5.779 ( 4.677 1.812 -1.832) 5.340 5.791 ( 3.333 0.007 1.287) 3.572 5.845 ( -0.866 -0.831 -2.517) 2.788 5.965 ( 1.413 -0.825 0.022) 1.637 5.981 ( -4.400 1.319 2.761) 5.359 6.045 ( -1.960 1.186 -0.297) 2.310 6.168 ( -1.092 -1.939 -0.999) 2.439 6.206 ( 1.412 -0.264 -1.319) 1.950 6.238 ( 0.548 -2.096 1.487) 2.628 6.308 ( 0.366 -1.954 1.079) 2.262 6.389 ( -1.654 0.754 -1.771) 2.538 6.428 ( 1.462 -1.944 -2.057) 3.186 6.466 ( -0.231 4.785 2.250) 5.293 6.544 ( -0.279 2.502 0.695) 2.611 6.610 ( -1.754 1.718 3.747) 4.480 6.660 ( -1.472 -0.578 -0.589) 1.687 6.724 ( -2.287 0.374 0.443) 2.359 6.869 ( 1.359 -7.004 1.151) 7.227 6.920 ( 1.400 -2.486 0.812) 2.967 6.955 ( 0.576 -4.909 1.072) 5.058 7.202 ( 0.418 0.590 1.865) 2.000 7.281 ( 0.707 -1.320 -0.164) 1.507 7.288 ( 0.358 5.032 0.417) 5.062 7.374 ( 1.729 7.485 -0.772) 7.721 7.425 ( -0.307 4.127 4.859) 6.383 7.614 ( -0.848 3.348 -4.609) 5.759 7.638 ( -3.330 3.847 -1.977) 5.459 7.703 ( -0.199 0.733 0.538) 0.931 7.802 ( 0.033 -3.202 0.104) 3.204 7.859 ( 0.675 1.291 0.322) 1.492 7.865 ( 0.212 -0.814 -1.002) 1.308 7.939 ( -0.030 0.304 -3.732) 3.745 8.016 ( -3.963 -4.336 1.441) 6.048 8.151 ( -4.398 -3.564 1.006) 5.750 8.298 ( -0.447 2.987 0.651) 3.089 8.337 ( -2.942 2.984 0.229) 4.196 8.598 ( -1.639 1.614 0.249) 2.313 8.695 ( 0.314 -1.249 -2.726) 3.015 8.744 ( 1.202 -0.869 2.073) 2.549 8.759 ( 1.606 -1.103 1.708) 2.591 9.328 ( -0.577 -2.729 0.969) 2.953 9.348 ( 0.368 -3.143 0.004) 3.164 9.393 ( 0.652 -1.284 -0.943) 1.721 9.437 ( 0.645 -2.427 -1.769) 3.072 9.538 ( -0.562 2.708 -0.025) 2.766 9.604 ( 0.487 2.205 -0.343) 2.284 9.660 ( -0.232 0.485 1.558) 1.648 9.684 ( -0.256 0.784 1.776) 1.958 9.705 ( 0.061 1.838 -0.249) 1.855 9.772 ( -1.227 2.245 -0.212) 2.567 9.775 ( 0.611 0.860 -0.910) 1.393 9.826 ( 0.072 2.775 1.364) 3.093 9.872 ( -0.465 1.246 1.568) 2.056 9.879 ( -0.960 1.815 -1.793) 2.726 9.934 ( -1.304 3.604 -2.139) 4.389 9.968 ( -2.783 5.274 -1.087) 6.061 10.056 ( -1.277 -0.471 0.294) 1.392 10.065 ( 0.357 0.768 -0.603) 1.040 10.100 ( -0.028 -1.140 1.134) 1.608 10.121 ( -0.207 0.143 1.169) 1.196 10.141 ( -0.650 -0.702 0.262) 0.992 10.159 ( -0.788 0.301 0.265) 0.884 10.171 ( 0.831 2.083 1.486) 2.690 10.251 ( 0.907 0.326 -1.720) 1.972 10.280 ( 0.238 -0.057 -0.580) 0.630 10.360 ( 1.510 1.837 -0.829) 2.518 10.365 ( -0.173 -2.675 -2.127) 3.422 10.432 ( 0.096 -1.773 2.536) 3.096 10.627 ( 1.686 0.137 2.755) 3.233 10.656 ( 0.049 0.212 4.635) 4.640 10.695 ( -2.897 -1.323 3.984) 5.101 10.749 ( 1.215 -2.792 -1.726) 3.500 10.839 ( -4.086 1.131 -1.866) 4.632 10.913 ( -0.220 -2.295 1.096) 2.552 11.010 ( -2.372 0.536 -0.023) 2.432 11.054 ( -4.999 -1.035 -0.844) 5.175 11.103 ( 1.271 0.290 -1.116) 1.716 11.145 ( 0.588 1.359 1.521) 2.123 11.184 ( -2.391 -0.327 -0.706) 2.514 11.210 ( 0.720 -0.556 1.428) 1.693 11.268 ( 0.004 1.037 0.912) 1.381 11.364 ( -1.326 0.441 -2.094) 2.517 11.444 ( 1.780 -1.619 -1.463) 2.816 11.610 ( 1.126 -9.105 -4.718) 10.317 ======================= Grid point 32 (17/33) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 9.406 8.116 9.630) 15.719 1.009 ( 14.909 1.130 8.675) 17.286 1.255 ( -8.853 1.571 0.010) 8.992 1.343 ( 4.441 3.094 -7.502) 9.250 1.395 ( -7.548 0.643 3.982) 8.558 1.537 ( -0.571 2.339 -7.118) 7.515 1.557 ( 4.652 -0.264 -7.649) 8.957 1.641 ( 0.358 -4.998 -3.817) 6.299 1.701 ( 4.268 -1.966 2.344) 5.251 1.722 ( 0.250 -6.257 -0.647) 6.295 1.811 ( -0.858 -2.577 0.050) 2.716 1.846 ( 4.337 1.843 0.319) 4.723 1.881 ( -3.154 -0.229 -4.464) 5.470 1.897 ( 0.044 -2.924 -1.799) 3.433 1.982 ( 2.172 2.340 0.464) 3.226 2.013 ( 1.546 -2.161 -3.827) 4.659 2.086 ( -2.929 2.528 -0.560) 3.910 2.109 ( 0.885 1.804 -1.069) 2.276 2.139 ( 0.350 -1.014 2.586) 2.799 2.181 ( -1.685 0.767 1.678) 2.498 2.208 ( 1.374 0.350 2.078) 2.515 2.259 ( 5.276 -0.503 2.361) 5.802 2.315 ( -0.679 0.232 -1.083) 1.299 2.327 ( -0.759 2.403 5.240) 5.815 2.353 ( -0.031 -1.008 2.044) 2.279 2.388 ( -2.320 -3.109 -0.691) 3.941 2.418 ( -1.617 -0.480 1.119) 2.024 2.458 ( -0.855 -0.791 3.315) 3.514 2.496 ( -6.275 4.041 5.007) 8.987 2.524 ( 0.540 2.281 -2.552) 3.465 2.557 ( -0.619 2.267 -0.140) 2.354 2.583 ( 3.767 0.911 -0.431) 3.900 2.632 ( -0.628 2.171 2.753) 3.562 2.674 ( 0.084 3.571 0.469) 3.603 2.714 ( -1.030 -0.808 -2.349) 2.689 2.793 ( -1.924 2.847 -0.985) 3.574 2.805 ( 0.447 1.729 1.180) 2.140 2.824 ( 1.127 3.560 1.341) 3.968 2.881 ( 0.553 0.890 0.115) 1.054 2.914 ( 0.940 1.392 2.346) 2.886 2.954 ( 1.193 -1.169 -6.703) 6.908 3.013 ( 0.758 3.908 -6.876) 7.945 3.079 ( 1.636 -0.159 0.095) 1.647 3.126 ( 3.000 -0.874 -4.225) 5.255 3.186 ( -1.940 -2.465 2.384) 3.940 3.218 ( 0.532 -0.095 -3.454) 3.496 3.271 ( -1.956 1.127 -2.311) 3.230 3.314 ( -0.060 1.127 -2.210) 2.482 3.346 ( -0.534 -2.877 -0.931) 3.071 3.359 ( -0.372 -0.025 1.201) 1.258 3.435 ( -1.982 0.121 -2.039) 2.846 3.448 ( -1.932 -1.577 -1.081) 2.718 3.513 ( -0.892 -0.370 -2.440) 2.624 3.523 ( 2.793 -6.891 0.222) 7.439 3.604 ( -3.199 -1.476 2.223) 4.165 3.629 ( 1.233 -0.031 2.039) 2.383 3.665 ( -0.067 0.479 -0.069) 0.489 3.686 ( -0.031 -1.675 3.201) 3.613 3.733 ( -1.713 -0.683 3.772) 4.199 3.765 ( 0.947 0.491 0.718) 1.286 3.791 ( 0.421 -2.115 -0.928) 2.348 3.898 ( 0.910 -2.760 -0.438) 2.939 3.938 ( -3.934 -2.999 -0.057) 4.947 3.941 ( 0.622 3.131 3.703) 4.889 3.984 ( -0.259 1.214 0.874) 1.519 4.034 ( -0.419 -4.025 1.418) 4.288 4.164 ( -2.076 1.233 -0.798) 2.543 4.172 ( -0.345 -1.665 1.969) 2.602 4.237 ( -0.197 -5.474 1.989) 5.827 4.264 ( 1.095 -1.573 -2.267) 2.969 4.287 ( 0.005 -4.427 -0.461) 4.450 4.371 ( -0.356 -3.215 -2.141) 3.879 4.401 ( -0.712 -0.671 -0.358) 1.042 4.421 ( -2.193 -3.726 -1.072) 4.454 4.475 ( 0.414 0.676 1.945) 2.100 4.513 ( 0.347 -0.226 -2.506) 2.540 4.538 ( 0.139 -1.116 -1.069) 1.551 4.617 ( 2.377 1.582 -2.112) 3.551 4.661 ( 0.597 3.502 -0.051) 3.552 4.684 ( -1.482 -0.219 -0.475) 1.572 4.708 ( -0.437 -1.842 -0.492) 1.956 4.750 ( 0.570 1.196 -0.861) 1.581 4.816 ( -2.743 -1.110 2.770) 4.054 4.889 ( 1.069 -3.183 -1.970) 3.893 5.042 ( 1.373 1.687 0.427) 2.217 5.121 ( 2.644 0.278 0.382) 2.686 5.139 ( 0.645 -1.113 -2.108) 2.469 5.193 ( -1.686 -1.773 0.210) 2.455 5.296 ( -0.916 1.095 1.233) 1.886 5.344 ( 0.542 -1.035 0.435) 1.246 5.354 ( -0.774 3.443 -0.089) 3.530 5.389 ( 0.201 -0.671 1.079) 1.287 5.403 ( 0.588 -0.148 0.383) 0.718 5.464 ( -1.487 -3.125 1.853) 3.925 5.605 ( -1.255 0.303 -1.997) 2.378 5.676 ( 0.986 -0.391 -2.714) 2.914 5.804 ( -1.261 -1.334 1.250) 2.221 5.843 ( 1.667 -0.743 -1.649) 2.459 5.895 ( 3.303 0.900 1.616) 3.786 5.940 ( 1.153 -1.522 -1.863) 2.668 5.984 ( -0.586 -2.246 1.236) 2.630 6.014 ( -1.131 0.457 -0.392) 1.281 6.131 ( -0.788 0.652 0.681) 1.229 6.214 ( -0.744 1.791 -0.716) 2.068 6.250 ( -0.831 -0.839 1.305) 1.760 6.285 ( -0.469 0.983 -2.512) 2.738 6.371 ( 0.762 -2.522 -0.224) 2.645 6.457 ( 1.020 -3.046 -1.813) 3.689 6.475 ( -0.171 2.837 3.180) 4.265 6.535 ( -0.304 3.802 1.903) 4.262 6.588 ( -0.960 2.497 3.009) 4.026 6.645 ( 0.111 -0.123 0.328) 0.367 6.699 ( -0.834 1.964 0.514) 2.195 6.839 ( -1.845 -6.770 -3.453) 7.821 6.941 ( 0.515 -2.974 1.018) 3.185 6.981 ( 0.179 -5.820 1.299) 5.966 7.216 ( 0.335 -0.118 1.745) 1.781 7.284 ( 0.199 -0.021 -1.539) 1.552 7.318 ( 1.414 4.526 2.420) 5.323 7.419 ( -0.669 5.901 2.905) 6.611 7.423 ( 2.680 7.848 -0.008) 8.293 7.514 ( -5.233 8.818 -2.918) 10.661 7.610 ( -0.687 -2.501 1.841) 3.180 7.686 ( -0.622 -0.664 -1.960) 2.161 7.814 ( 0.257 -0.230 -0.091) 0.357 7.866 ( -0.045 -0.384 -0.898) 0.977 7.866 ( -0.101 0.038 0.244) 0.267 7.936 ( 0.494 0.381 -1.868) 1.970 7.980 ( -0.014 -3.357 1.286) 3.595 8.056 ( -3.876 -1.503 0.821) 4.237 8.285 ( -0.842 3.008 0.809) 3.227 8.298 ( -1.072 2.237 0.554) 2.542 8.575 ( -0.638 1.453 0.079) 1.589 8.685 ( -0.299 -1.665 -4.982) 5.261 8.757 ( -0.871 -1.190 4.415) 4.654 8.816 ( 3.277 -2.298 1.578) 4.302 9.320 ( -0.277 -2.264 0.987) 2.485 9.351 ( -0.242 -3.860 0.373) 3.885 9.396 ( 0.289 -0.404 -1.959) 2.021 9.441 ( 0.176 -2.067 -1.442) 2.527 9.543 ( 0.405 2.875 0.989) 3.068 9.581 ( -1.385 3.500 -0.326) 3.778 9.660 ( -0.443 1.132 1.952) 2.299 9.685 ( -0.008 1.138 1.024) 1.531 9.718 ( 1.018 -0.341 -0.621) 1.240 9.767 ( -0.093 1.744 -0.149) 1.753 9.785 ( 0.941 2.699 -1.116) 3.068 9.807 ( -0.928 2.715 -0.500) 2.913 9.848 ( -1.388 3.440 -1.269) 3.920 9.884 ( 0.442 2.413 0.709) 2.553 9.909 ( -0.211 3.640 -0.934) 3.764 9.942 ( -0.178 2.727 0.820) 2.853 10.049 ( 0.532 -2.467 0.346) 2.547 10.076 ( 0.633 -0.817 -0.162) 1.046 10.092 ( -1.066 -0.639 -0.204) 1.259 10.120 ( -0.260 -1.324 1.136) 1.764 10.133 ( -0.082 -0.895 0.725) 1.154 10.151 ( -0.358 -0.468 0.639) 0.869 10.194 ( 0.729 2.391 2.971) 3.883 10.255 ( 0.456 -1.523 -4.275) 4.561 10.289 ( 0.740 0.714 -0.858) 1.339 10.348 ( -0.518 -2.062 -1.021) 2.358 10.398 ( 1.081 0.765 -2.145) 2.521 10.428 ( -0.522 0.123 -0.173) 0.563 10.637 ( -2.081 0.435 5.890) 6.262 10.655 ( -0.335 0.378 2.697) 2.744 10.686 ( -0.113 -0.165 3.850) 3.855 10.772 ( 1.857 -0.972 -0.454) 2.145 10.806 ( 0.676 -0.031 0.668) 0.951 10.912 ( -2.471 -2.349 0.041) 3.409 10.921 ( -2.507 -0.076 -3.060) 3.956 10.964 ( -2.366 -0.317 -1.306) 2.721 11.119 ( 0.321 -1.044 -0.059) 1.094 11.149 ( -1.108 -0.558 -0.437) 1.315 11.164 ( 0.588 0.888 0.676) 1.261 11.218 ( -0.414 -0.871 0.971) 1.368 11.280 ( 0.842 1.686 0.143) 1.890 11.346 ( 0.041 0.831 -2.229) 2.379 11.478 ( 1.445 -2.123 -0.071) 2.569 11.559 ( -2.612 -5.405 -2.277) 6.420 ======================= Grid point 33 (18/33) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -13.456 5.878 9.532) 17.507 1.079 ( -12.189 8.331 8.389) 16.981 1.260 ( 7.699 2.958 -2.697) 8.677 1.383 ( 5.728 -0.366 2.412) 6.226 1.409 ( 3.401 1.608 -3.035) 4.834 1.544 ( 2.260 -0.531 -3.897) 4.536 1.608 ( 0.687 -2.355 -2.327) 3.382 1.638 ( -0.415 -3.376 -6.843) 7.642 1.668 ( -3.436 -0.250 -8.168) 8.865 1.732 ( -2.090 -2.796 0.795) 3.580 1.753 ( -1.090 2.714 -5.609) 6.325 1.779 ( -3.999 -3.440 0.618) 5.311 1.859 ( -3.101 0.773 4.143) 5.232 1.892 ( -1.917 0.895 -0.637) 2.210 1.987 ( 0.498 5.919 -1.444) 6.113 2.024 ( 1.666 -2.120 -5.730) 6.332 2.052 ( -5.126 0.835 2.829) 5.914 2.091 ( -0.628 2.247 2.577) 3.476 2.128 ( -2.278 0.827 3.818) 4.522 2.184 ( 1.510 -3.332 3.357) 4.965 2.231 ( -2.288 -3.152 -0.588) 3.939 2.262 ( 2.407 -0.892 -2.163) 3.357 2.281 ( -3.253 -1.327 3.669) 5.080 2.307 ( -2.019 -2.867 -1.071) 3.666 2.354 ( 1.812 0.357 0.622) 1.948 2.399 ( 0.550 0.135 -0.056) 0.569 2.435 ( -1.418 -1.742 2.127) 3.094 2.483 ( 1.804 0.985 1.640) 2.629 2.501 ( 2.361 -0.007 -0.232) 2.372 2.527 ( 2.568 3.735 0.832) 4.609 2.566 ( 3.089 1.243 3.518) 4.844 2.601 ( -1.757 1.896 1.988) 3.261 2.670 ( 1.271 1.721 0.274) 2.157 2.673 ( -0.169 2.380 0.644) 2.471 2.698 ( 1.092 2.909 -1.847) 3.615 2.775 ( 0.516 2.907 -1.347) 3.245 2.793 ( -1.362 -0.057 3.783) 4.021 2.837 ( 1.691 3.425 -2.096) 4.357 2.900 ( 0.819 2.371 -0.172) 2.514 2.935 ( -0.404 -1.359 1.831) 2.316 2.940 ( 1.104 -1.679 -2.612) 3.295 3.023 ( 1.564 1.231 -4.299) 4.737 3.110 ( -0.382 0.066 -0.497) 0.630 3.154 ( 2.657 -0.465 -5.420) 6.054 3.201 ( 2.098 -1.607 -2.653) 3.745 3.228 ( -0.638 -0.178 -0.842) 1.071 3.238 ( -0.582 0.638 -1.092) 1.392 3.271 ( -1.004 -0.465 -2.289) 2.543 3.340 ( -1.357 1.088 -0.388) 1.782 3.368 ( 0.761 -2.861 -2.332) 3.769 3.408 ( -0.676 3.038 -3.233) 4.488 3.441 ( 1.791 -2.376 1.366) 3.274 3.465 ( -1.283 -0.802 0.172) 1.523 3.548 ( -1.332 -0.626 0.821) 1.685 3.596 ( 2.327 -3.452 -1.613) 4.465 3.634 ( -0.525 -2.804 -0.910) 2.994 3.670 ( -0.213 -0.705 4.098) 4.164 3.715 ( 0.275 -3.898 6.457) 7.547 3.732 ( 1.095 -0.078 2.251) 2.504 3.800 ( 2.354 0.619 -1.255) 2.738 3.807 ( 0.389 -3.414 -1.124) 3.615 3.868 ( -1.871 -2.552 0.034) 3.164 3.882 ( -1.277 1.655 0.106) 2.093 3.952 ( -0.062 0.017 3.856) 3.856 4.001 ( 1.093 2.118 1.441) 2.785 4.070 ( 2.009 -1.903 4.835) 5.571 4.112 ( -2.219 2.180 -1.486) 3.448 4.131 ( -1.954 -3.869 -1.688) 4.651 4.274 ( 2.312 -6.234 0.885) 6.708 4.284 ( 0.856 0.770 -1.734) 2.081 4.309 ( 2.186 -3.350 0.454) 4.026 4.354 ( -0.266 -2.847 -0.644) 2.931 4.399 ( 0.116 -3.054 -1.043) 3.230 4.429 ( 2.617 0.045 -0.649) 2.696 4.460 ( -1.000 -0.465 0.881) 1.411 4.515 ( 0.026 -0.527 -1.193) 1.304 4.532 ( -0.528 0.737 -1.887) 2.093 4.604 ( -1.938 3.255 -3.070) 4.875 4.661 ( -1.719 -3.955 -1.994) 4.751 4.670 ( 0.512 -0.006 0.789) 0.941 4.702 ( 0.942 0.720 -1.040) 1.578 4.754 ( -2.693 -1.358 2.719) 4.061 4.793 ( 1.672 1.857 0.233) 2.510 4.908 ( 1.444 -2.763 -1.330) 3.389 5.062 ( 0.145 1.722 0.656) 1.848 5.129 ( -0.903 -0.269 -1.918) 2.137 5.159 ( 0.201 -0.930 -1.045) 1.413 5.185 ( 1.267 -0.886 1.000) 1.841 5.284 ( -0.409 0.870 2.054) 2.268 5.344 ( -0.178 1.763 0.220) 1.786 5.368 ( 1.614 0.833 0.305) 1.842 5.401 ( -0.041 1.034 -0.874) 1.354 5.426 ( 2.263 -1.509 1.881) 3.307 5.459 ( 0.499 -1.900 2.246) 2.984 5.576 ( -0.336 0.448 -2.101) 2.174 5.664 ( -1.496 -1.989 -2.953) 3.862 5.753 ( -3.790 0.855 -0.541) 3.922 5.842 ( -2.457 -1.636 -0.005) 2.952 5.902 ( -1.984 -1.873 0.091) 2.730 5.936 ( -1.900 -0.947 1.079) 2.381 5.996 ( 3.021 -0.763 -0.023) 3.116 6.036 ( 3.029 -0.332 -1.221) 3.283 6.172 ( 2.913 0.431 1.266) 3.205 6.187 ( -0.158 3.114 -1.474) 3.449 6.228 ( -0.894 -1.579 1.065) 2.104 6.310 ( 2.345 0.656 -2.628) 3.583 6.384 ( 0.474 -3.718 1.176) 3.929 6.446 ( -0.896 -1.578 -2.648) 3.210 6.481 ( 0.207 3.478 2.667) 4.388 6.543 ( -0.383 2.105 3.683) 4.259 6.597 ( 0.768 0.944 1.671) 2.067 6.660 ( 0.840 2.044 -0.586) 2.286 6.691 ( 0.137 0.632 2.247) 2.338 6.798 ( -1.595 -9.496 -3.621) 10.288 6.935 ( -1.648 -2.943 1.127) 3.557 6.979 ( -0.051 -3.520 0.928) 3.640 7.222 ( -0.290 -0.387 1.644) 1.713 7.282 ( -0.017 -0.787 -1.347) 1.560 7.336 ( -0.334 6.459 2.622) 6.979 7.357 ( -3.599 6.483 1.277) 7.524 7.446 ( -2.004 4.641 0.671) 5.099 7.537 ( 5.843 6.645 -2.209) 9.120 7.635 ( 3.992 0.026 1.474) 4.255 7.680 ( 0.678 0.649 -1.730) 1.968 7.797 ( -1.602 -0.324 0.007) 1.635 7.847 ( -0.792 -1.095 -1.323) 1.891 7.869 ( -0.049 0.676 0.220) 0.712 7.946 ( 0.943 -0.032 -1.040) 1.404 7.992 ( 0.483 -2.009 0.920) 2.261 8.048 ( 2.383 -0.762 0.857) 2.645 8.278 ( -0.149 2.681 0.935) 2.843 8.289 ( -0.044 1.805 0.453) 1.862 8.574 ( 0.518 1.245 -0.007) 1.348 8.667 ( -0.005 -1.646 -3.765) 4.109 8.738 ( -1.995 -0.199 3.512) 4.044 8.883 ( 2.713 -3.863 1.312) 4.900 9.318 ( -0.581 -1.985 0.821) 2.226 9.342 ( -0.310 -3.779 0.038) 3.792 9.395 ( 0.062 -0.479 -1.447) 1.526 9.435 ( -0.371 -1.519 -1.240) 1.996 9.540 ( -0.144 4.554 0.625) 4.599 9.583 ( 0.778 2.187 -0.189) 2.329 9.661 ( 0.004 2.403 1.940) 3.089 9.689 ( -0.222 0.577 1.729) 1.836 9.724 ( 0.086 0.122 -0.781) 0.795 9.750 ( -0.713 1.794 -0.301) 1.954 9.786 ( -0.187 1.998 -1.481) 2.494 9.819 ( -0.329 2.547 0.130) 2.572 9.848 ( 1.929 3.102 -0.697) 3.719 9.880 ( 1.527 3.889 -2.081) 4.667 9.930 ( 1.149 1.403 1.160) 2.153 9.952 ( 0.940 1.419 0.108) 1.706 10.055 ( -0.865 -1.740 -0.995) 2.183 10.070 ( -0.250 -0.790 1.047) 1.335 10.090 ( 0.484 -1.925 0.543) 2.058 10.119 ( 0.016 -1.955 0.842) 2.129 10.136 ( -0.277 -0.392 0.010) 0.480 10.156 ( 0.963 -0.327 1.483) 1.799 10.210 ( -0.040 2.478 2.573) 3.573 10.252 ( 0.729 -3.014 -4.719) 5.646 10.300 ( 0.701 -0.413 -1.560) 1.760 10.337 ( -0.568 -1.326 1.890) 2.378 10.376 ( -1.532 1.765 -2.835) 3.674 10.429 ( 0.615 1.972 -2.197) 3.016 10.626 ( -0.793 0.089 7.900) 7.940 10.635 ( -2.275 -0.097 3.005) 3.770 10.686 ( -0.991 0.196 3.011) 3.176 10.797 ( -1.213 -1.645 -1.011) 2.280 10.843 ( 1.800 -0.540 -0.097) 1.881 10.853 ( 1.506 -0.116 0.452) 1.576 10.928 ( 3.308 1.230 -1.866) 3.992 10.987 ( 3.771 -0.411 -1.918) 4.251 11.117 ( -0.488 -1.441 0.192) 1.533 11.133 ( -0.587 -0.974 -0.882) 1.439 11.171 ( -0.312 1.025 1.654) 1.971 11.198 ( -1.305 -0.214 0.098) 1.326 11.295 ( 0.339 1.021 0.205) 1.095 11.344 ( 0.333 0.509 -2.070) 2.158 11.495 ( 0.260 -2.606 0.589) 2.684 11.540 ( 0.960 -4.873 -3.064) 5.836 ======================= Grid point 34 (19/33) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -12.143 10.799 11.857) 20.116 0.845 ( -12.254 15.689 12.408) 23.458 1.263 ( -9.997 9.008 6.624) 14.998 1.339 ( -5.452 4.400 -9.864) 12.099 1.438 ( -0.868 3.927 -3.296) 5.200 1.528 ( 0.936 -3.313 1.572) 3.785 1.596 ( 0.373 1.031 -4.558) 4.688 1.607 ( -1.094 -10.423 -0.609) 10.498 1.636 ( -4.488 -6.471 1.737) 8.064 1.717 ( 3.519 0.685 1.211) 3.784 1.736 ( 1.547 -0.134 1.876) 2.435 1.781 ( 2.740 2.872 -3.549) 5.325 1.842 ( 4.944 1.342 2.584) 5.738 1.900 ( 0.102 -1.517 -0.666) 1.660 1.968 ( -1.724 -3.444 -1.307) 4.067 2.022 ( 1.714 -1.027 3.186) 3.760 2.076 ( -0.531 1.957 0.707) 2.147 2.083 ( -1.721 1.001 -0.058) 1.992 2.110 ( 2.870 2.275 -2.515) 4.443 2.177 ( 0.629 -0.001 -3.705) 3.758 2.192 ( -1.303 -2.766 -4.069) 5.089 2.250 ( -1.199 2.278 2.341) 3.479 2.282 ( 0.049 -3.121 0.882) 3.243 2.304 ( 1.825 2.557 -1.517) 3.488 2.352 ( -1.173 -2.795 -0.305) 3.046 2.399 ( -2.322 0.070 -1.011) 2.533 2.435 ( 0.066 2.635 -0.983) 2.813 2.493 ( -2.247 1.958 -0.472) 3.017 2.527 ( 2.270 0.084 2.241) 3.191 2.542 ( 0.656 1.102 0.656) 1.441 2.574 ( -0.606 0.667 2.621) 2.772 2.633 ( 2.159 1.790 -1.766) 3.314 2.683 ( 0.016 1.352 0.041) 1.353 2.684 ( 1.247 1.396 -0.085) 1.874 2.720 ( 0.399 2.659 2.186) 3.465 2.783 ( 0.066 -2.336 -0.762) 2.458 2.827 ( 2.825 1.333 3.312) 4.553 2.854 ( -1.730 -0.465 0.138) 1.796 2.891 ( -0.231 1.181 -2.646) 2.907 2.944 ( 3.398 3.446 -3.875) 6.200 3.000 ( 2.143 0.122 -3.782) 4.348 3.032 ( -2.841 1.398 -1.026) 3.329 3.040 ( -0.299 0.747 -5.568) 5.626 3.173 ( -3.006 0.920 -3.728) 4.877 3.193 ( -0.509 -2.487 -2.346) 3.457 3.212 ( 1.238 0.368 0.124) 1.298 3.217 ( -1.729 -1.459 -1.861) 2.930 3.303 ( 3.265 -3.194 3.052) 5.493 3.313 ( 1.673 1.574 -1.679) 2.845 3.365 ( -0.003 -1.218 -1.025) 1.592 3.417 ( -0.297 -1.961 0.444) 2.033 3.455 ( -1.168 3.929 0.423) 4.120 3.472 ( 0.976 -4.130 2.800) 5.084 3.542 ( 1.534 -0.476 2.333) 2.832 3.578 ( -2.263 -1.259 1.447) 2.967 3.667 ( 0.133 -4.418 2.268) 4.968 3.679 ( 1.772 -0.899 1.048) 2.247 3.731 ( -0.667 -0.765 5.612) 5.704 3.773 ( 1.875 -4.014 3.256) 5.498 3.793 ( -0.662 -1.339 -0.026) 1.494 3.832 ( -2.664 -3.019 2.357) 4.665 3.848 ( 2.957 -1.576 -2.790) 4.360 3.885 ( 0.758 2.406 0.715) 2.622 3.977 ( 0.411 1.427 1.235) 1.932 4.009 ( 0.406 -0.609 -1.961) 2.093 4.064 ( -1.789 3.417 0.269) 3.866 4.120 ( 1.862 -0.374 1.844) 2.647 4.137 ( 2.316 -4.088 0.689) 4.749 4.277 ( -0.536 -4.099 -1.819) 4.516 4.317 ( 0.777 -2.904 0.583) 3.062 4.344 ( 1.134 0.037 -1.805) 2.132 4.374 ( 2.240 -0.701 0.157) 2.352 4.406 ( 0.512 -1.642 0.059) 1.721 4.458 ( 1.623 -2.513 -0.243) 3.002 4.491 ( -0.403 -0.377 -1.760) 1.844 4.505 ( -0.141 0.183 -1.150) 1.173 4.522 ( 3.566 1.306 1.041) 3.938 4.564 ( -1.613 3.274 -0.681) 3.713 4.617 ( -1.114 -3.669 -1.515) 4.123 4.697 ( 0.751 -1.280 0.303) 1.515 4.703 ( -2.702 -1.300 2.930) 4.193 4.726 ( 1.849 -0.010 -0.065) 1.850 4.809 ( -0.419 1.975 -0.087) 2.020 4.925 ( -0.018 -2.058 -1.111) 2.339 5.060 ( -0.235 0.692 0.346) 0.808 5.097 ( -1.557 -0.058 -2.020) 2.551 5.166 ( 1.446 -1.242 -2.475) 3.124 5.190 ( -1.175 -3.884 1.892) 4.477 5.304 ( 1.378 0.976 1.665) 2.371 5.341 ( -0.343 0.680 0.502) 0.912 5.382 ( -1.295 1.262 -1.602) 2.416 5.392 ( 0.603 2.434 -0.770) 2.623 5.495 ( 1.607 -0.540 2.679) 3.170 5.516 ( 5.812 -1.039 3.436) 6.831 5.580 ( 0.683 0.617 -2.545) 2.706 5.623 ( -1.265 -0.813 -0.211) 1.519 5.666 ( -4.010 0.761 -0.142) 4.084 5.782 ( -2.623 1.111 -2.205) 3.603 5.835 ( -2.104 -0.705 -0.651) 2.313 5.936 ( -0.716 0.660 3.073) 3.224 6.051 ( 2.135 -0.107 -0.575) 2.213 6.097 ( 3.645 -0.110 -2.190) 4.254 6.180 ( 0.209 -0.535 -1.636) 1.734 6.197 ( -0.446 -1.109 0.393) 1.258 6.255 ( 1.904 -1.209 2.328) 3.242 6.339 ( 1.710 -0.485 -3.084) 3.560 6.381 ( -3.205 -6.699 0.324) 7.434 6.428 ( -0.661 -1.591 -0.534) 1.803 6.499 ( 1.224 4.315 0.602) 4.525 6.529 ( -2.066 1.087 2.023) 3.089 6.613 ( 0.642 -0.085 1.825) 1.936 6.662 ( 0.605 2.110 1.251) 2.526 6.722 ( 0.399 -4.552 0.574) 4.605 6.767 ( 0.901 -2.502 2.554) 3.687 6.883 ( -3.853 -2.337 1.565) 4.770 6.991 ( 0.635 -2.346 0.428) 2.468 7.213 ( -1.124 0.082 1.649) 1.997 7.274 ( -0.440 -1.279 -0.228) 1.371 7.311 ( -1.436 6.415 -0.040) 6.574 7.334 ( -0.056 6.672 1.436) 6.825 7.423 ( -1.001 3.122 2.576) 4.169 7.591 ( 1.747 1.283 -2.314) 3.171 7.680 ( 0.717 1.938 -1.831) 2.761 7.740 ( 0.419 2.465 -2.207) 3.335 7.778 ( 1.498 -1.072 1.337) 2.276 7.841 ( 0.411 1.891 -2.304) 3.009 7.869 ( 0.212 -3.162 -0.822) 3.274 7.979 ( 1.579 1.084 -3.585) 4.065 8.029 ( 5.494 -1.438 1.507) 5.876 8.105 ( 1.999 -1.024 3.169) 3.885 8.286 ( 0.787 3.055 1.022) 3.317 8.295 ( 0.462 1.862 0.352) 1.951 8.595 ( 1.393 0.756 0.447) 1.647 8.666 ( 0.754 -1.549 -1.638) 2.377 8.710 ( -1.236 1.185 1.829) 2.505 8.906 ( -1.435 -5.645 -0.457) 5.843 9.299 ( -0.744 -1.160 0.319) 1.414 9.348 ( 0.449 -3.241 1.082) 3.446 9.387 ( -0.591 -1.152 -0.693) 1.469 9.428 ( 0.216 -1.026 -1.528) 1.853 9.551 ( 0.967 3.827 -0.425) 3.970 9.588 ( -0.344 2.466 0.086) 2.492 9.662 ( -0.542 2.144 1.929) 2.935 9.680 ( -1.004 1.175 2.164) 2.660 9.723 ( -0.297 3.700 -0.506) 3.746 9.757 ( 1.592 -1.209 -1.026) 2.247 9.778 ( -0.021 0.385 -0.975) 1.048 9.816 ( -0.108 1.929 0.892) 2.128 9.854 ( 0.073 3.118 0.531) 3.163 9.924 ( 0.155 0.055 -1.596) 1.604 9.964 ( 3.002 4.062 -0.711) 5.100 9.987 ( 2.780 0.732 -1.781) 3.382 10.029 ( -0.818 -0.636 -0.041) 1.036 10.075 ( 0.421 -0.962 0.641) 1.231 10.099 ( -0.041 -1.730 0.865) 1.935 10.123 ( 0.292 -0.350 0.543) 0.709 10.140 ( 0.689 -0.072 1.241) 1.422 10.171 ( -0.166 0.695 0.641) 0.960 10.208 ( -0.536 1.672 -0.828) 1.941 10.252 ( 0.472 -2.873 -3.744) 4.743 10.295 ( -0.755 -0.442 -1.652) 1.869 10.348 ( -0.222 2.095 -1.857) 2.808 10.350 ( 0.818 -2.078 2.289) 3.198 10.450 ( 1.749 1.065 0.317) 2.072 10.599 ( -1.682 -0.410 2.518) 3.056 10.658 ( -1.676 -0.729 2.819) 3.360 10.676 ( 2.375 -2.507 7.258) 8.038 10.762 ( -1.149 -2.228 -1.321) 2.834 10.877 ( 3.604 0.394 1.046) 3.773 10.927 ( 2.985 -0.827 0.233) 3.106 11.026 ( 4.698 2.642 0.722) 5.438 11.047 ( 1.505 1.588 -2.809) 3.561 11.107 ( -0.770 -1.517 1.367) 2.182 11.121 ( 1.788 0.345 -2.364) 2.984 11.170 ( 1.493 1.265 3.351) 3.880 11.186 ( -0.203 0.353 0.526) 0.665 11.290 ( -0.713 0.324 -0.062) 0.786 11.346 ( 0.422 -0.766 -2.196) 2.364 11.483 ( -2.629 -3.455 -1.186) 4.500 11.517 ( -3.181 -4.381 -4.841) 7.263 ======================= Grid point 35 (20/33) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -4.535 19.351 6.048) 20.776 1.017 ( -4.884 16.840 10.813) 20.600 1.228 ( -3.504 -17.867 2.256) 18.347 1.324 ( -1.840 -10.094 3.622) 10.881 1.345 ( 1.700 1.143 -6.926) 7.222 1.413 ( 1.644 -4.138 -2.956) 5.344 1.496 ( 0.981 5.264 -6.836) 8.683 1.592 ( 1.254 -1.298 -3.845) 4.247 1.624 ( 3.038 2.034 -4.042) 5.450 1.671 ( 2.360 -5.461 -5.785) 8.298 1.766 ( -5.046 0.177 -3.485) 6.135 1.786 ( -5.705 -1.480 -1.685) 6.130 1.915 ( 3.198 2.484 2.914) 4.989 1.950 ( 3.208 -0.621 4.959) 5.939 2.014 ( 1.611 0.941 -1.827) 2.611 2.019 ( -1.695 0.717 -1.247) 2.223 2.058 ( -2.197 3.290 2.383) 4.619 2.101 ( 0.540 -2.246 -0.982) 2.510 2.128 ( 4.034 8.234 -0.168) 9.171 2.189 ( 0.059 6.755 5.921) 8.983 2.225 ( 3.385 -4.011 2.003) 5.617 2.268 ( -0.228 2.336 0.876) 2.505 2.298 ( -0.276 1.431 -1.324) 1.969 2.362 ( 2.377 1.584 -1.145) 3.077 2.384 ( -1.420 0.400 -0.726) 1.644 2.391 ( -0.777 -2.450 -2.393) 3.511 2.458 ( -1.780 1.499 0.898) 2.494 2.497 ( -0.162 1.715 -3.305) 3.726 2.563 ( 1.027 -0.679 -0.060) 1.233 2.598 ( 0.446 7.908 1.156) 8.004 2.614 ( -0.661 1.265 4.353) 4.581 2.663 ( -0.115 0.026 0.593) 0.605 2.675 ( 1.739 -4.022 0.870) 4.467 2.715 ( -2.092 -0.518 1.207) 2.470 2.753 ( -0.255 -2.064 0.905) 2.268 2.781 ( -1.821 0.847 1.829) 2.716 2.801 ( -0.952 5.879 -1.379) 6.113 2.893 ( 0.885 -0.961 -2.032) 2.416 2.935 ( -0.645 2.299 1.893) 3.047 2.959 ( 1.733 -0.751 2.642) 3.248 3.014 ( -1.489 -3.690 1.909) 4.413 3.028 ( 2.959 -2.873 0.619) 4.171 3.076 ( 0.618 2.932 -3.692) 4.755 3.138 ( 1.522 0.950 -0.688) 1.922 3.167 ( -3.059 2.750 -1.636) 4.427 3.176 ( 0.887 -0.738 0.429) 1.231 3.203 ( 1.381 -2.459 -1.471) 3.181 3.240 ( -2.141 -4.630 -1.806) 5.411 3.296 ( 2.939 -0.145 -1.501) 3.304 3.318 ( 0.659 -1.757 -2.052) 2.781 3.394 ( -1.111 -1.043 -1.247) 1.969 3.443 ( 0.534 -3.763 -1.298) 4.016 3.492 ( 1.348 -0.510 -2.681) 3.045 3.498 ( 1.586 0.009 0.374) 1.630 3.597 ( -0.925 0.589 2.388) 2.628 3.632 ( -0.259 -0.500 0.172) 0.589 3.650 ( -3.253 -3.839 4.405) 6.687 3.683 ( 0.580 -5.297 -3.844) 6.570 3.737 ( -1.128 3.733 4.141) 5.689 3.776 ( -1.236 0.736 3.442) 3.730 3.814 ( -1.434 1.182 4.277) 4.663 3.857 ( 0.935 -2.430 -2.127) 3.362 3.924 ( 0.189 2.884 -0.892) 3.024 3.982 ( 0.778 -1.794 -0.214) 1.967 4.002 ( 0.281 0.916 -2.595) 2.766 4.058 ( 1.207 -3.937 -2.429) 4.781 4.131 ( -0.610 4.214 0.867) 4.345 4.180 ( -1.181 2.429 1.269) 2.984 4.199 ( 0.649 -3.407 1.917) 3.963 4.246 ( -1.618 -3.350 2.132) 4.288 4.321 ( -1.343 -0.343 -0.726) 1.565 4.357 ( -1.299 -2.750 -1.877) 3.574 4.436 ( 2.325 1.314 0.026) 2.671 4.454 ( 0.436 0.252 -0.585) 0.772 4.464 ( -0.371 -1.568 0.327) 1.644 4.497 ( 1.068 -3.141 0.099) 3.319 4.542 ( -0.619 2.117 -0.528) 2.268 4.573 ( -2.654 -0.143 0.580) 2.720 4.612 ( 2.188 -1.075 -0.184) 2.445 4.632 ( 0.693 -1.737 -0.844) 2.052 4.730 ( 0.775 2.691 0.787) 2.909 4.775 ( 2.595 -1.407 -0.427) 2.983 4.823 ( -0.961 1.662 1.161) 2.243 4.858 ( -1.282 -1.930 -0.662) 2.410 5.042 ( -1.478 1.023 1.266) 2.199 5.074 ( -0.640 -1.992 0.776) 2.231 5.115 ( -0.269 1.764 -0.412) 1.832 5.166 ( 1.186 -3.092 -1.957) 3.847 5.323 ( -1.022 0.689 0.776) 1.456 5.336 ( -0.827 -0.397 1.458) 1.723 5.382 ( 0.311 2.039 -2.489) 3.233 5.421 ( 0.356 -0.860 -2.670) 2.827 5.490 ( -3.044 0.403 2.172) 3.761 5.511 ( -3.408 -1.437 2.387) 4.402 5.611 ( 1.468 1.607 -0.250) 2.191 5.634 ( 0.578 -0.501 0.678) 1.022 5.730 ( 4.722 3.498 0.703) 5.918 5.786 ( 2.981 -1.119 -1.696) 3.608 5.864 ( 1.082 0.385 -2.226) 2.505 5.890 ( -1.862 -1.816 -0.931) 2.763 6.086 ( 0.333 1.576 0.761) 1.782 6.116 ( 1.347 -1.402 1.160) 2.264 6.153 ( -4.989 0.494 -0.212) 5.018 6.171 ( -1.407 -0.361 -1.106) 1.826 6.187 ( 1.006 -0.208 0.309) 1.073 6.223 ( -0.245 -3.236 0.863) 3.358 6.390 ( 1.728 1.499 -0.804) 2.425 6.416 ( 1.081 -1.065 -1.080) 1.863 6.580 ( -1.049 3.122 0.709) 3.369 6.589 ( 0.986 2.944 0.777) 3.200 6.613 ( -0.160 -0.376 1.090) 1.164 6.654 ( 0.424 -2.324 -0.925) 2.537 6.741 ( 1.008 0.777 2.519) 2.822 6.766 ( -0.898 -1.760 1.340) 2.387 6.867 ( 0.545 2.475 3.028) 3.949 6.926 ( -1.259 -3.373 0.863) 3.703 7.219 ( -0.338 1.234 1.328) 1.844 7.242 ( -0.074 -1.344 0.857) 1.596 7.409 ( -1.029 5.600 1.120) 5.802 7.456 ( 0.529 2.108 0.922) 2.360 7.514 ( 0.160 6.292 2.925) 6.941 7.616 ( 1.726 -0.203 -0.687) 1.869 7.659 ( -2.016 -3.102 1.586) 4.025 7.730 ( 0.566 -2.341 -0.815) 2.543 7.740 ( 0.836 -0.095 0.658) 1.068 7.797 ( 0.596 -3.567 -1.298) 3.842 7.944 ( 1.543 5.393 -3.400) 6.559 7.988 ( -2.463 1.817 -3.925) 4.977 8.020 ( -1.773 -2.988 -0.057) 3.475 8.067 ( 1.133 -5.710 -2.376) 6.287 8.349 ( 0.515 2.034 0.672) 2.203 8.366 ( 1.391 0.353 -0.012) 1.435 8.626 ( 0.781 1.140 1.065) 1.745 8.655 ( 1.266 -1.842 0.464) 2.282 8.743 ( -0.580 1.457 0.193) 1.580 8.771 ( -2.997 -1.529 -0.194) 3.370 9.287 ( 0.304 -0.167 0.972) 1.032 9.305 ( 0.040 -1.922 1.017) 2.175 9.369 ( 0.157 0.261 -1.453) 1.484 9.390 ( 0.109 -1.855 -1.766) 2.563 9.615 ( -1.287 2.191 -0.097) 2.543 9.628 ( 0.032 1.478 -0.149) 1.486 9.676 ( -0.906 0.952 0.571) 1.433 9.698 ( -0.378 -0.125 1.431) 1.485 9.730 ( -0.617 -0.042 1.209) 1.358 9.742 ( -0.250 -0.916 -0.550) 1.097 9.821 ( 1.560 1.617 -0.142) 2.251 9.843 ( 1.595 0.087 -0.334) 1.632 9.901 ( -0.242 2.113 0.350) 2.156 9.926 ( -1.015 0.452 -0.219) 1.133 10.002 ( 0.380 0.952 -0.749) 1.270 10.038 ( 0.139 0.017 -0.432) 0.454 10.064 ( -0.660 0.986 0.989) 1.545 10.092 ( 0.645 2.276 0.799) 2.497 10.113 ( 0.548 0.307 0.033) 0.629 10.128 ( 0.005 -2.629 0.581) 2.693 10.138 ( 0.384 1.693 0.583) 1.832 10.174 ( 0.449 -1.146 0.014) 1.231 10.212 ( 0.009 1.264 -2.482) 2.785 10.236 ( 1.096 -0.603 -2.963) 3.216 10.287 ( -0.444 0.671 0.740) 1.093 10.310 ( -0.417 -2.277 0.149) 2.319 10.391 ( 0.031 2.068 0.732) 2.194 10.423 ( -1.390 -1.271 0.258) 1.901 10.616 ( 0.292 1.498 4.843) 5.078 10.645 ( -0.494 1.044 0.609) 1.305 10.660 ( 1.270 -2.736 3.903) 4.932 10.687 ( -0.477 -2.466 -2.240) 3.365 10.916 ( -2.056 0.132 -1.546) 2.576 10.928 ( -2.449 -0.910 -2.111) 3.359 11.019 ( 0.491 0.690 0.913) 1.246 11.043 ( 0.270 -1.530 0.316) 1.585 11.162 ( -0.468 1.740 0.687) 1.928 11.181 ( 2.044 0.614 0.355) 2.164 11.195 ( -1.275 3.113 -1.262) 3.593 11.245 ( -4.060 -1.480 -2.989) 5.255 11.272 ( 0.733 -0.120 2.423) 2.534 11.324 ( 7.852 -4.587 -0.019) 9.094 11.394 ( -0.151 -0.224 -1.801) 1.821 11.411 ( -1.250 -1.943 -1.151) 2.581 ======================= Grid point 36 (21/33) ======================= q-point: ( 0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 6.584 15.582 7.176) 18.375 1.032 ( 3.440 16.167 8.675) 18.668 1.205 ( 1.366 -15.645 0.270) 15.707 1.334 ( 1.961 -11.981 4.328) 12.889 1.369 ( 1.932 3.199 -7.075) 8.001 1.444 ( 2.725 -3.238 -2.678) 5.008 1.548 ( 0.599 1.007 -0.417) 1.244 1.582 ( -3.069 -1.734 -6.821) 7.678 1.603 ( 0.000 -0.453 -3.409) 3.439 1.669 ( 0.171 -3.488 -3.657) 5.057 1.704 ( 0.799 -1.140 1.498) 2.045 1.759 ( 2.496 -4.455 -3.605) 6.251 1.915 ( -3.723 1.804 -2.208) 4.689 1.965 ( -3.498 -2.181 -1.938) 4.555 2.010 ( 1.386 3.465 -0.257) 3.741 2.037 ( 3.548 0.103 3.778) 5.184 2.053 ( 1.105 7.638 1.111) 7.797 2.113 ( 1.278 -0.187 -2.788) 3.072 2.188 ( 0.708 3.837 -0.684) 3.962 2.206 ( -0.308 3.426 2.814) 4.445 2.263 ( -0.850 1.350 -0.910) 1.837 2.276 ( 0.018 0.670 0.334) 0.749 2.296 ( 1.223 -1.015 0.607) 1.701 2.334 ( -2.518 -6.451 0.846) 6.976 2.371 ( 1.065 2.497 0.359) 2.738 2.399 ( 0.708 0.678 0.691) 1.199 2.461 ( 0.087 5.044 5.750) 7.649 2.502 ( 0.529 3.720 -1.155) 3.930 2.573 ( -1.917 3.424 0.889) 4.023 2.579 ( -2.509 0.284 0.823) 2.656 2.612 ( 0.128 4.342 1.015) 4.461 2.626 ( -2.805 2.340 -0.365) 3.671 2.669 ( 1.199 1.389 -0.039) 1.835 2.699 ( 0.686 -0.798 -0.062) 1.055 2.720 ( -1.846 -2.409 0.029) 3.035 2.798 ( 2.383 1.090 -0.228) 2.630 2.825 ( 1.376 1.900 0.871) 2.503 2.884 ( -1.375 -4.270 -0.870) 4.570 2.931 ( -0.755 4.217 2.664) 5.045 2.960 ( -3.834 5.168 3.171) 7.174 2.991 ( 1.953 1.793 -3.222) 4.172 3.079 ( -1.470 -2.344 2.251) 3.566 3.086 ( 0.970 -0.058 -0.966) 1.370 3.118 ( 1.169 -2.733 0.961) 3.124 3.165 ( -0.626 1.908 -0.866) 2.187 3.171 ( 0.223 -1.111 -0.156) 1.144 3.179 ( -0.323 -5.793 -3.857) 6.967 3.238 ( 0.138 -5.268 -2.218) 5.717 3.333 ( 2.191 -1.472 -3.795) 4.623 3.376 ( 1.406 1.829 0.996) 2.513 3.383 ( 3.123 -2.219 -4.427) 5.854 3.449 ( 0.232 -3.024 -2.027) 3.648 3.475 ( -3.564 1.711 -1.883) 4.379 3.523 ( -2.155 -1.300 1.227) 2.800 3.575 ( 0.734 -1.566 1.495) 2.286 3.597 ( -0.713 -2.339 3.852) 4.563 3.655 ( 1.060 -0.743 0.450) 1.370 3.687 ( 0.790 -4.257 -2.107) 4.815 3.714 ( -2.574 4.099 4.046) 6.308 3.756 ( -1.371 0.742 2.651) 3.076 3.795 ( -1.052 -1.215 3.027) 3.427 3.836 ( -2.273 -4.987 -2.202) 5.907 3.924 ( 0.058 3.180 -0.616) 3.239 3.984 ( -1.192 -1.561 1.015) 2.211 3.990 ( -0.442 2.522 -1.792) 3.125 4.057 ( -0.585 -2.146 -1.460) 2.661 4.133 ( 0.261 1.109 -1.035) 1.539 4.166 ( 0.019 2.160 2.406) 3.234 4.195 ( -0.278 -2.563 -1.365) 2.917 4.226 ( -1.866 -3.932 3.397) 5.521 4.285 ( -1.998 0.736 -0.425) 2.171 4.320 ( -1.110 -2.202 -0.541) 2.525 4.423 ( -3.369 -1.425 1.398) 3.916 4.428 ( -3.233 -1.714 0.887) 3.765 4.472 ( 0.943 1.366 -1.898) 2.522 4.498 ( 0.536 -1.274 -1.055) 1.739 4.522 ( 0.117 1.728 1.259) 2.141 4.589 ( 1.096 -5.079 0.809) 5.259 4.631 ( 2.545 3.498 -2.090) 4.804 4.687 ( 2.735 -1.923 -1.002) 3.490 4.731 ( -0.182 3.281 -0.324) 3.302 4.789 ( -1.657 -1.757 1.322) 2.754 4.812 ( -0.146 1.038 0.706) 1.264 4.844 ( -0.877 -1.672 0.292) 1.911 5.036 ( 0.862 1.541 0.556) 1.851 5.078 ( 1.080 -2.577 -0.442) 2.828 5.119 ( 0.814 2.484 -0.978) 2.791 5.173 ( 0.037 -2.948 -1.302) 3.223 5.306 ( -0.321 0.695 0.822) 1.123 5.324 ( -0.507 -0.864 1.014) 1.425 5.393 ( 0.146 1.331 -0.523) 1.437 5.418 ( -2.846 -0.795 1.711) 3.415 5.432 ( -0.738 1.522 0.082) 1.693 5.455 ( -1.384 -1.376 0.766) 2.097 5.615 ( -0.210 1.795 0.034) 1.808 5.659 ( 1.003 -1.781 -0.188) 2.052 5.812 ( 0.131 1.127 -1.875) 2.191 5.818 ( 3.715 2.578 -0.344) 4.535 5.830 ( -1.772 -0.056 -3.033) 3.514 5.898 ( 1.382 -4.153 2.329) 4.959 6.041 ( -4.424 2.515 0.694) 5.136 6.063 ( -3.434 0.159 -0.117) 3.440 6.154 ( 1.041 0.856 0.778) 1.556 6.187 ( 2.504 -1.848 -0.447) 3.144 6.215 ( 1.225 0.058 0.233) 1.248 6.244 ( 2.528 -3.235 -0.315) 4.117 6.402 ( -1.611 0.738 -2.075) 2.729 6.413 ( 0.136 -0.294 -2.087) 2.112 6.552 ( -1.387 3.386 0.961) 3.783 6.592 ( -0.732 0.180 0.861) 1.144 6.623 ( 0.650 1.974 1.150) 2.375 6.664 ( 0.174 -0.467 -0.309) 0.587 6.728 ( -1.461 0.605 1.341) 2.074 6.765 ( -0.494 -3.335 1.546) 3.709 6.894 ( 0.589 -0.410 2.157) 2.274 6.903 ( -0.629 -1.414 1.703) 2.301 7.221 ( 0.108 1.242 1.311) 1.809 7.249 ( 0.428 -1.698 0.794) 1.923 7.395 ( -0.641 5.549 1.502) 5.785 7.468 ( 0.467 -0.073 0.522) 0.704 7.532 ( 0.841 6.186 3.064) 6.954 7.625 ( -1.644 1.544 1.300) 2.603 7.650 ( 1.597 -1.838 -1.911) 3.096 7.733 ( -1.494 -2.378 -1.359) 3.120 7.761 ( 1.969 0.960 0.355) 2.219 7.805 ( 0.544 -3.333 -1.758) 3.807 7.911 ( -2.627 2.492 -2.888) 4.631 7.947 ( -1.823 -1.437 -2.157) 3.169 7.970 ( -0.787 2.758 -0.219) 2.876 8.065 ( -1.733 -5.401 -0.397) 5.686 8.350 ( -0.679 2.046 0.504) 2.213 8.367 ( -1.322 0.292 0.182) 1.366 8.634 ( -0.626 2.023 -0.630) 2.209 8.671 ( -0.141 -1.589 -1.393) 2.118 8.728 ( 0.032 -0.278 1.618) 1.643 8.737 ( -0.284 -1.001 1.831) 2.106 9.293 ( -0.189 -0.654 1.056) 1.256 9.303 ( -0.381 -1.580 0.643) 1.748 9.376 ( 0.822 -0.065 -1.452) 1.670 9.393 ( 0.673 -1.791 -1.664) 2.536 9.593 ( -0.561 2.556 -0.210) 2.625 9.623 ( -0.434 -0.295 0.005) 0.525 9.672 ( -0.108 0.864 1.229) 1.506 9.687 ( -0.698 -0.460 1.406) 1.636 9.732 ( 0.555 1.073 0.429) 1.282 9.753 ( 1.344 -1.027 -0.666) 1.818 9.845 ( 1.057 3.200 -0.701) 3.442 9.879 ( 1.250 0.379 0.077) 1.308 9.902 ( -0.335 1.558 0.460) 1.659 9.909 ( 0.071 1.071 -0.091) 1.077 10.004 ( -0.068 2.406 -1.239) 2.707 10.014 ( -1.697 1.135 -0.623) 2.135 10.048 ( -1.227 0.007 0.287) 1.260 10.081 ( -2.490 1.797 -0.591) 3.127 10.097 ( -0.782 -0.666 0.619) 1.199 10.110 ( -1.565 -2.783 -0.021) 3.193 10.141 ( -0.743 1.581 1.241) 2.143 10.168 ( -2.073 -0.150 0.398) 2.116 10.204 ( 1.269 1.866 -1.974) 2.998 10.242 ( 0.178 -1.189 -2.747) 2.999 10.290 ( 0.361 0.450 1.319) 1.440 10.307 ( 0.022 -2.145 1.051) 2.389 10.398 ( 0.837 1.584 -1.197) 2.155 10.414 ( 0.643 -0.257 0.212) 0.724 10.633 ( 0.659 0.676 4.505) 4.603 10.654 ( -0.530 -0.985 4.284) 4.427 10.674 ( 0.410 0.128 1.579) 1.636 10.700 ( 1.587 -2.134 -2.011) 3.334 10.851 ( -3.075 0.519 -0.977) 3.268 10.871 ( -1.431 -1.726 0.565) 2.312 11.018 ( -2.408 0.387 -0.252) 2.452 11.032 ( -3.264 -1.082 -0.825) 3.536 11.127 ( -1.692 1.963 -1.417) 2.954 11.165 ( -2.425 -1.568 -1.163) 3.113 11.176 ( -0.160 1.456 0.718) 1.632 11.197 ( -0.020 -0.742 0.917) 1.180 11.308 ( 1.608 3.638 0.814) 4.061 11.377 ( -0.401 0.439 -2.010) 2.096 11.404 ( 1.603 -2.456 -0.632) 3.000 11.443 ( 2.180 -6.730 -1.921) 7.330 ======================= Grid point 37 (22/33) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 10.680 7.304 7.507) 14.958 1.167 ( 6.147 12.574 6.083) 15.261 1.271 ( 3.241 -7.232 1.956) 8.162 1.324 ( -4.644 3.416 2.282) 6.201 1.408 ( 2.190 -5.327 0.197) 5.763 1.437 ( -1.018 -6.620 0.989) 6.770 1.523 ( 2.639 -0.255 -4.293) 5.045 1.585 ( 1.236 -5.154 -2.301) 5.777 1.638 ( -3.143 3.259 -3.577) 5.770 1.654 ( 2.022 -0.705 -1.382) 2.549 1.712 ( 2.600 -3.840 -1.078) 4.761 1.777 ( -0.717 -8.779 -4.925) 10.091 1.874 ( 0.825 1.264 -3.826) 4.113 1.910 ( 0.303 -2.201 -4.804) 5.293 2.012 ( -2.906 5.008 -5.451) 7.952 2.050 ( -2.045 -0.288 -2.151) 2.982 2.088 ( 2.165 0.937 -0.071) 2.360 2.138 ( 2.292 -1.110 -3.207) 4.095 2.163 ( -2.763 1.081 1.127) 3.174 2.203 ( 1.029 2.277 2.145) 3.293 2.238 ( -2.782 -0.257 2.190) 3.550 2.265 ( 1.443 -0.555 0.994) 1.838 2.308 ( -0.779 -0.356 -2.081) 2.250 2.322 ( -0.290 -2.367 3.696) 4.399 2.390 ( -1.940 5.213 2.015) 5.916 2.423 ( 1.389 2.031 0.397) 2.492 2.451 ( -3.312 1.369 3.944) 5.329 2.504 ( 1.717 9.697 4.433) 10.799 2.536 ( -1.661 -1.314 -0.676) 2.224 2.553 ( -1.789 -0.930 0.248) 2.031 2.569 ( 1.425 4.587 2.406) 5.372 2.670 ( 1.786 1.427 -2.976) 3.753 2.678 ( 0.605 1.011 0.392) 1.241 2.706 ( 1.366 2.618 -0.548) 3.003 2.753 ( 3.269 0.926 -1.031) 3.551 2.820 ( -0.452 0.630 -1.493) 1.682 2.835 ( -4.169 2.950 -0.080) 5.108 2.849 ( 2.049 0.467 0.318) 2.125 2.878 ( -3.306 4.037 1.804) 5.521 2.939 ( -0.185 1.664 4.734) 5.022 2.989 ( -2.142 1.360 -0.563) 2.599 3.047 ( -2.605 -1.463 2.244) 3.737 3.103 ( 1.903 1.004 0.267) 2.168 3.124 ( -1.782 0.095 -0.075) 1.786 3.164 ( 1.146 -0.060 -0.614) 1.301 3.181 ( 2.094 -7.698 -1.394) 8.098 3.222 ( 1.311 -1.542 -4.290) 4.744 3.236 ( 4.324 -8.974 0.949) 10.007 3.311 ( -2.351 -0.108 -1.676) 2.890 3.356 ( -4.182 -4.924 -0.852) 6.516 3.404 ( -0.640 2.508 0.979) 2.767 3.423 ( -0.639 0.825 -3.350) 3.509 3.456 ( 0.413 -0.225 -0.750) 0.885 3.472 ( -1.813 -2.307 0.345) 2.954 3.582 ( 0.176 0.790 -0.863) 1.183 3.621 ( 0.780 -1.800 -2.358) 3.068 3.659 ( -0.734 0.576 2.140) 2.334 3.681 ( -0.035 -0.476 0.890) 1.010 3.699 ( -0.101 0.363 2.839) 2.863 3.765 ( 0.277 -0.304 0.496) 0.644 3.784 ( 0.154 -4.733 -3.636) 5.971 3.809 ( 1.570 -1.621 0.001) 2.256 3.928 ( 0.227 0.380 1.835) 1.887 3.960 ( -0.421 0.997 1.521) 1.866 3.993 ( 0.591 2.125 0.817) 2.352 4.027 ( -1.950 -0.755 -0.674) 2.196 4.118 ( -1.653 -2.470 1.950) 3.555 4.149 ( -2.855 -3.158 2.187) 4.786 4.187 ( -0.232 1.497 -2.199) 2.670 4.226 ( 1.056 -1.619 0.247) 1.949 4.276 ( 1.962 1.814 0.081) 2.673 4.324 ( 1.157 -2.501 -0.761) 2.859 4.358 ( -2.432 -0.616 -0.073) 2.510 4.382 ( -0.705 -1.663 0.845) 1.994 4.484 ( -0.274 0.618 1.459) 1.608 4.503 ( -0.699 -1.133 -0.716) 1.512 4.528 ( 0.733 1.160 -1.521) 2.049 4.588 ( -0.515 -4.526 -1.949) 4.954 4.683 ( 1.676 2.550 -0.787) 3.151 4.714 ( -0.648 0.135 0.946) 1.155 4.720 ( -0.883 2.143 -0.171) 2.325 4.750 ( -1.331 -1.030 1.585) 2.312 4.804 ( -1.049 0.167 0.898) 1.391 4.831 ( 0.646 -2.538 -1.115) 2.846 5.074 ( 2.252 1.609 -0.234) 2.777 5.109 ( 1.851 -1.967 -1.563) 3.121 5.138 ( 1.265 1.367 -0.626) 1.965 5.165 ( -0.321 -1.307 -0.732) 1.532 5.311 ( -0.282 0.345 1.877) 1.929 5.318 ( -0.563 -0.810 2.233) 2.441 5.369 ( -1.298 0.119 3.415) 3.655 5.380 ( -0.873 -0.955 2.813) 3.096 5.439 ( 0.713 2.400 -1.223) 2.787 5.455 ( 0.839 0.445 -2.216) 2.410 5.612 ( -0.513 1.170 -2.668) 2.958 5.651 ( -0.768 -2.162 -2.911) 3.706 5.794 ( -0.839 0.468 1.169) 1.513 5.818 ( 0.594 -1.726 0.173) 1.834 5.880 ( 1.776 -0.119 -0.087) 1.782 5.911 ( -1.924 -2.799 0.472) 3.430 5.977 ( -1.199 1.924 0.160) 2.273 6.010 ( -0.902 -1.127 -0.382) 1.494 6.160 ( -0.020 2.057 1.940) 2.827 6.204 ( -0.841 -2.365 2.962) 3.882 6.265 ( 3.289 1.934 -1.946) 4.283 6.295 ( 2.023 -0.807 -2.572) 3.370 6.345 ( -1.836 1.329 -3.735) 4.369 6.396 ( -0.940 -3.183 -3.239) 4.637 6.541 ( -0.421 3.118 2.206) 3.842 6.582 ( -0.689 -0.581 1.812) 2.023 6.629 ( -0.311 2.742 0.728) 2.853 6.656 ( -0.196 0.740 0.355) 0.844 6.725 ( 0.154 0.430 0.965) 1.067 6.744 ( -1.409 -2.839 0.252) 3.180 6.899 ( 0.106 -0.904 1.751) 1.973 6.910 ( -0.227 -1.929 1.771) 2.628 7.227 ( 0.072 1.156 1.273) 1.721 7.258 ( 0.170 -1.895 0.431) 1.951 7.396 ( 0.070 4.265 2.747) 5.074 7.477 ( 0.104 -3.161 1.029) 3.326 7.556 ( -0.050 6.511 1.496) 6.681 7.603 ( -0.283 2.174 0.234) 2.204 7.660 ( -2.001 4.436 -3.827) 6.191 7.675 ( 0.260 -0.294 -2.582) 2.612 7.793 ( -0.404 -1.699 -1.058) 2.042 7.811 ( 1.381 -3.546 -0.958) 3.924 7.886 ( 0.044 1.889 0.895) 2.091 7.929 ( 0.134 -2.075 1.593) 2.619 7.961 ( 0.033 1.940 -1.297) 2.334 8.012 ( -2.330 -2.873 -0.107) 3.701 8.331 ( -1.051 1.424 0.463) 1.830 8.335 ( -1.513 1.087 0.483) 1.925 8.611 ( -0.749 2.164 -1.601) 2.794 8.650 ( -0.755 -1.862 -3.309) 3.871 8.741 ( 0.205 0.079 3.442) 3.449 8.767 ( 1.817 -2.391 2.500) 3.907 9.289 ( -0.301 -0.774 0.970) 1.277 9.297 ( -0.427 -1.632 0.472) 1.751 9.386 ( 0.570 -0.067 -1.527) 1.631 9.402 ( 0.478 -1.629 -1.406) 2.204 9.594 ( 0.460 1.973 0.425) 2.070 9.612 ( -0.563 0.138 0.449) 0.733 9.677 ( 0.404 0.744 1.132) 1.414 9.691 ( 0.630 -0.670 0.694) 1.152 9.745 ( 0.337 2.606 -0.034) 2.628 9.778 ( 0.942 -0.462 -0.730) 1.279 9.860 ( 0.749 3.251 -0.800) 3.430 9.870 ( -1.410 2.154 0.453) 2.614 9.894 ( -0.427 1.946 -1.193) 2.322 9.926 ( 1.048 -0.173 0.484) 1.168 9.977 ( -1.054 3.753 -1.999) 4.381 10.003 ( -0.269 1.914 0.718) 2.062 10.021 ( -1.331 2.498 -0.679) 2.910 10.044 ( -0.136 -2.355 -1.167) 2.632 10.078 ( -1.357 -2.919 0.168) 3.223 10.081 ( -0.939 -1.997 -0.065) 2.207 10.119 ( -1.097 0.179 1.195) 1.632 10.135 ( -1.212 -1.061 0.832) 1.813 10.222 ( 0.655 0.387 -2.244) 2.369 10.240 ( 0.489 -0.557 -2.657) 2.758 10.295 ( -0.122 0.640 1.265) 1.423 10.318 ( 0.104 -0.969 2.845) 3.007 10.413 ( 0.953 1.297 -1.968) 2.543 10.434 ( 1.288 -0.305 -1.820) 2.250 10.647 ( -1.348 0.460 5.612) 5.790 10.655 ( -0.916 -0.390 5.881) 5.964 10.697 ( 1.518 1.465 0.011) 2.110 10.734 ( 2.451 -2.256 -1.075) 3.500 10.821 ( -0.148 1.341 1.208) 1.811 10.860 ( -0.749 -2.694 1.265) 3.069 10.928 ( -3.392 0.864 -2.262) 4.167 10.949 ( -3.031 -1.106 -1.685) 3.641 11.111 ( -0.304 0.355 -1.160) 1.250 11.130 ( -0.964 -1.279 -1.153) 1.974 11.182 ( 0.163 0.963 0.889) 1.320 11.200 ( -0.167 -0.953 0.913) 1.330 11.330 ( 0.598 3.687 -0.099) 3.737 11.371 ( 0.066 1.446 -1.533) 2.108 11.427 ( 0.944 -2.890 -0.469) 3.076 11.445 ( -0.520 -5.323 -1.247) 5.491 ======================= Grid point 38 (23/33) ======================= q-point: (-0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -9.426 13.687 8.527) 18.678 1.229 ( -2.362 7.558 6.899) 10.502 1.340 ( 4.993 2.924 -2.041) 6.135 1.365 ( 2.423 -1.629 1.915) 3.492 1.378 ( -3.806 -9.528 4.440) 11.179 1.454 ( 0.689 -6.718 0.076) 6.754 1.542 ( -2.389 1.224 -6.021) 6.592 1.560 ( 2.583 -1.133 3.315) 4.352 1.613 ( 1.126 -4.448 -5.053) 6.826 1.653 ( -3.899 -6.029 -2.604) 7.637 1.756 ( 5.259 3.696 -3.269) 7.212 1.813 ( -0.668 1.452 -6.047) 6.255 1.841 ( 3.319 -1.214 -2.088) 4.105 1.885 ( -1.137 -4.347 -6.355) 7.783 1.989 ( 1.124 0.655 -4.575) 4.756 2.023 ( 1.400 -2.185 -4.626) 5.304 2.099 ( -2.741 -0.263 -0.059) 2.754 2.126 ( -0.331 2.645 1.464) 3.041 2.135 ( -2.581 -1.969 0.194) 3.252 2.175 ( -3.143 -1.385 1.973) 3.962 2.240 ( 1.169 7.653 0.471) 7.756 2.281 ( 0.263 2.266 0.667) 2.377 2.305 ( -1.817 -0.044 1.807) 2.563 2.318 ( 0.070 1.534 1.017) 1.842 2.383 ( 2.945 1.499 3.556) 4.854 2.411 ( -1.319 1.247 2.927) 3.444 2.432 ( -5.616 2.114 0.538) 6.025 2.467 ( 3.691 0.686 0.352) 3.770 2.531 ( -1.461 2.560 2.744) 4.027 2.567 ( 1.055 -0.826 3.849) 4.076 2.611 ( -0.725 2.498 -1.578) 3.042 2.661 ( 0.210 4.916 -0.661) 4.965 2.688 ( -1.371 -2.628 -2.815) 4.087 2.702 ( 0.136 3.124 -1.280) 3.379 2.768 ( -2.338 2.162 0.391) 3.209 2.803 ( 3.791 4.528 -1.575) 6.112 2.831 ( -1.192 2.319 4.515) 5.214 2.862 ( 1.772 -0.984 -1.974) 2.829 2.902 ( 1.552 -2.154 2.062) 3.362 2.921 ( -2.018 -1.405 0.833) 2.596 2.944 ( 0.827 3.019 -1.128) 3.327 3.037 ( 0.230 -2.869 1.446) 3.222 3.099 ( -0.974 -0.166 -0.110) 0.994 3.129 ( -1.582 -3.230 1.129) 3.769 3.143 ( -0.690 -5.054 -0.333) 5.112 3.215 ( 0.307 -3.008 1.519) 3.384 3.241 ( 1.836 2.676 -4.760) 5.761 3.283 ( 0.411 -0.877 1.360) 1.669 3.299 ( -0.897 2.044 -1.666) 2.786 3.346 ( -2.377 -1.885 -0.117) 3.036 3.374 ( 1.620 -2.447 -0.271) 2.947 3.428 ( 5.456 -8.350 1.521) 10.090 3.442 ( 1.053 1.435 -2.558) 3.117 3.476 ( 0.594 0.153 -1.135) 1.290 3.561 ( -1.988 1.094 -1.601) 2.777 3.585 ( -1.732 -1.636 -2.422) 3.397 3.684 ( -1.638 1.591 1.073) 2.523 3.690 ( 2.256 1.351 2.610) 3.705 3.732 ( 2.847 -1.620 -0.711) 3.352 3.742 ( 0.096 -4.158 -0.303) 4.171 3.817 ( 0.468 2.123 0.031) 2.174 3.830 ( 0.799 0.485 -1.590) 1.845 3.924 ( -0.960 1.086 3.389) 3.686 3.973 ( -0.888 -1.483 1.198) 2.103 4.012 ( 2.534 -0.207 -0.015) 2.542 4.022 ( 0.630 0.083 1.100) 1.270 4.079 ( -1.655 -0.685 -0.036) 1.791 4.122 ( 0.472 -4.376 2.258) 4.947 4.195 ( 1.267 2.237 -2.295) 3.447 4.242 ( 0.960 -2.703 0.294) 2.883 4.323 ( 2.246 0.584 -0.677) 2.417 4.338 ( 0.772 -1.531 -0.280) 1.737 4.347 ( 0.626 2.061 1.165) 2.449 4.408 ( 1.475 -2.348 0.518) 2.821 4.463 ( -0.706 0.630 1.074) 1.431 4.486 ( -0.478 -1.530 -0.643) 1.728 4.537 ( 0.398 0.112 -1.195) 1.265 4.565 ( -1.096 -3.471 -2.439) 4.382 4.675 ( -0.859 2.189 0.746) 2.467 4.684 ( -1.439 1.160 0.996) 2.100 4.710 ( -0.948 -0.196 -0.625) 1.152 4.721 ( -2.157 -1.710 0.621) 2.821 4.824 ( 2.067 1.501 0.216) 2.563 4.858 ( 2.000 -2.167 -0.370) 2.972 5.092 ( -0.315 1.338 -0.561) 1.485 5.117 ( -0.465 -1.163 -1.928) 2.299 5.150 ( -0.233 0.072 -0.753) 0.792 5.160 ( -0.578 -1.017 -0.055) 1.171 5.308 ( 0.280 1.407 2.704) 3.061 5.335 ( 0.913 -1.359 2.810) 3.252 5.387 ( 2.662 1.102 3.507) 4.539 5.409 ( 2.668 -0.707 3.203) 4.229 5.446 ( 0.268 1.792 -1.523) 2.367 5.453 ( -0.810 0.542 -2.261) 2.462 5.589 ( 0.195 1.393 -3.475) 3.749 5.625 ( -1.062 -2.046 -3.283) 4.011 5.772 ( -3.212 1.260 0.317) 3.465 5.803 ( -2.450 -2.040 0.160) 3.192 5.859 ( -1.880 -0.984 -0.467) 2.172 5.888 ( 0.931 -3.479 1.369) 3.853 6.001 ( 2.611 1.706 0.292) 3.132 6.033 ( 2.321 -1.027 -0.319) 2.558 6.181 ( 1.480 0.557 2.572) 3.019 6.196 ( -0.598 -1.034 2.358) 2.643 6.261 ( -2.160 3.690 -1.831) 4.651 6.320 ( 0.161 -2.095 -1.661) 2.678 6.331 ( 1.165 0.848 -4.422) 4.650 6.380 ( 0.624 -4.038 -3.719) 5.525 6.546 ( 0.334 2.749 2.623) 3.814 6.574 ( -0.622 0.157 2.191) 2.283 6.625 ( -0.282 1.965 0.260) 2.002 6.659 ( 0.109 -1.459 -0.299) 1.494 6.715 ( -0.740 1.890 0.194) 2.040 6.738 ( 0.282 -0.182 1.790) 1.821 6.894 ( -1.233 -0.805 1.219) 1.912 6.916 ( 0.503 -2.688 2.037) 3.410 7.230 ( -0.171 1.064 1.286) 1.678 7.257 ( -0.374 -1.544 0.282) 1.613 7.409 ( 0.134 3.454 3.610) 4.998 7.472 ( -0.887 -2.359 0.868) 2.666 7.527 ( -2.023 7.897 0.304) 8.158 7.587 ( -0.637 1.552 -0.222) 1.692 7.673 ( 3.109 0.825 -3.157) 4.507 7.697 ( 2.148 -0.007 -2.558) 3.341 7.766 ( -1.934 -0.955 0.241) 2.171 7.803 ( -1.434 -2.929 -1.570) 3.619 7.898 ( 0.636 1.816 0.265) 1.942 7.932 ( 0.422 -1.496 1.497) 2.159 7.985 ( 2.510 1.502 -0.822) 3.039 8.023 ( 2.800 -1.899 -0.251) 3.393 8.321 ( -0.047 1.327 0.483) 1.413 8.322 ( 0.030 1.134 0.531) 1.253 8.602 ( 0.183 1.548 -1.237) 1.990 8.633 ( -0.100 -1.744 -2.415) 2.980 8.749 ( -0.384 1.674 2.846) 3.324 8.804 ( 1.099 -3.873 1.817) 4.417 9.287 ( -0.393 -0.964 0.667) 1.236 9.291 ( -0.044 -1.421 0.757) 1.610 9.387 ( -0.117 0.038 -1.416) 1.421 9.402 ( 0.009 -1.477 -1.380) 2.022 9.605 ( 0.483 1.762 0.092) 1.830 9.613 ( 0.566 0.731 0.550) 1.076 9.695 ( 0.863 0.745 1.207) 1.661 9.703 ( 0.048 0.170 1.395) 1.406 9.743 ( -0.321 2.468 -0.120) 2.491 9.779 ( -0.404 -0.188 -0.911) 1.014 9.832 ( -2.135 2.695 -1.128) 3.619 9.853 ( -1.209 0.638 -0.119) 1.372 9.908 ( 1.273 2.427 -0.662) 2.820 9.949 ( 0.619 0.210 1.315) 1.469 9.964 ( 1.139 2.919 -1.691) 3.561 9.999 ( 0.088 2.498 -0.550) 2.560 10.015 ( 0.848 0.732 -1.318) 1.730 10.052 ( 0.994 -1.792 -1.131) 2.340 10.067 ( -0.324 -0.937 0.722) 1.226 10.073 ( 0.931 -2.342 0.399) 2.551 10.117 ( 0.124 -1.130 0.770) 1.373 10.128 ( 0.466 -1.917 1.539) 2.502 10.220 ( 0.268 -0.024 -3.397) 3.407 10.237 ( -0.096 -0.722 -2.593) 2.693 10.297 ( -0.183 1.111 2.069) 2.355 10.321 ( -0.558 -0.743 2.954) 3.097 10.416 ( -0.096 2.247 -2.466) 3.338 10.446 ( 0.578 -0.445 -2.688) 2.785 10.626 ( -1.980 -0.009 5.669) 6.005 10.629 ( -2.943 -0.330 5.243) 6.021 10.711 ( -0.819 2.127 0.642) 2.368 10.756 ( -0.966 -2.422 -0.329) 2.628 10.835 ( 1.069 0.112 0.354) 1.132 10.846 ( 1.745 -0.783 1.332) 2.331 10.952 ( 5.365 1.256 -1.154) 5.629 10.974 ( 5.429 -0.988 -1.313) 5.672 11.099 ( -0.652 -0.213 -1.186) 1.370 11.110 ( -0.845 -1.146 -1.640) 2.171 11.187 ( 0.060 0.585 1.370) 1.491 11.194 ( -0.444 -0.202 0.632) 0.798 11.330 ( -0.650 2.827 -0.303) 2.917 11.362 ( -0.652 0.984 -1.525) 1.929 11.437 ( 0.149 -3.341 -1.085) 3.515 11.439 ( 0.201 -4.079 -0.633) 4.133 ======================= Grid point 39 (24/33) ======================= q-point: (-0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -8.223 16.942 7.389) 20.230 1.127 ( -8.105 14.153 9.817) 19.036 1.292 ( -4.428 -16.647 5.582) 18.107 1.364 ( -1.321 -1.641 -2.267) 3.095 1.365 ( -2.373 -2.635 -1.769) 3.963 1.440 ( -2.207 -3.903 -6.370) 7.790 1.520 ( 0.642 3.115 -2.890) 4.298 1.576 ( 0.781 0.356 -5.090) 5.162 1.590 ( -0.165 -2.197 -7.665) 7.975 1.643 ( 2.520 -5.037 -0.106) 5.633 1.828 ( 1.812 0.328 0.529) 1.916 1.843 ( 2.514 2.844 -2.273) 4.424 1.868 ( 1.842 -1.023 -2.575) 3.327 1.897 ( -0.983 0.186 -1.371) 1.698 1.977 ( 1.588 -0.604 -1.071) 2.008 2.013 ( -0.273 6.264 2.219) 6.651 2.063 ( -1.422 -1.321 -1.961) 2.760 2.098 ( -0.297 -0.208 -0.816) 0.893 2.119 ( -0.525 -0.295 0.997) 1.165 2.164 ( 1.729 -3.465 1.014) 4.003 2.211 ( -3.696 10.817 5.553) 12.709 2.276 ( -0.932 1.006 0.361) 1.418 2.303 ( 0.105 1.741 0.427) 1.795 2.320 ( 1.418 3.226 -1.745) 3.932 2.360 ( 1.544 1.189 -1.832) 2.674 2.428 ( -1.154 0.559 2.859) 3.133 2.484 ( 2.233 -1.093 3.235) 4.080 2.509 ( -0.452 2.972 -0.250) 3.017 2.547 ( 1.915 -1.413 -0.796) 2.510 2.573 ( 1.911 1.253 1.703) 2.849 2.590 ( -0.077 4.538 0.724) 4.596 2.655 ( 1.044 -0.962 -3.418) 3.701 2.656 ( -2.575 -0.358 0.457) 2.640 2.705 ( 1.405 -2.278 -0.169) 2.682 2.750 ( -0.585 1.233 1.964) 2.391 2.824 ( -1.463 -0.523 1.163) 1.941 2.848 ( -1.492 2.043 1.368) 2.876 2.871 ( 1.666 2.870 -1.064) 3.485 2.891 ( 1.621 0.867 3.427) 3.889 2.953 ( 1.037 -0.467 -1.042) 1.542 2.991 ( 1.831 -2.080 -0.489) 2.814 3.036 ( -1.855 -12.936 2.613) 13.327 3.056 ( -0.389 0.798 -1.949) 2.142 3.103 ( 2.468 -0.877 0.428) 2.654 3.162 ( -0.278 2.917 -0.539) 2.980 3.201 ( -0.940 1.168 0.552) 1.598 3.229 ( -2.563 0.358 -2.604) 3.671 3.264 ( -0.445 3.056 -0.810) 3.192 3.296 ( -1.475 -4.040 0.330) 4.313 3.311 ( 1.371 -0.409 -4.223) 4.459 3.411 ( 0.696 -0.275 -1.156) 1.377 3.440 ( 0.029 -1.962 -1.501) 2.470 3.481 ( 0.265 -1.888 -1.123) 2.213 3.496 ( -0.898 -0.956 -2.555) 2.872 3.587 ( 2.828 0.009 0.189) 2.834 3.598 ( 3.903 -3.194 -0.447) 5.063 3.652 ( -0.507 1.235 2.256) 2.621 3.709 ( -2.063 -3.436 2.147) 4.547 3.742 ( 0.309 2.289 3.103) 3.869 3.793 ( 1.191 -0.917 0.772) 1.690 3.799 ( -0.649 2.726 1.167) 3.036 3.840 ( 0.709 -1.631 -0.011) 1.778 3.920 ( -0.088 1.855 1.904) 2.659 3.975 ( 0.246 -2.524 0.491) 2.583 4.007 ( -0.802 0.567 -2.251) 2.456 4.034 ( 1.349 -2.965 -1.970) 3.807 4.113 ( 2.634 1.322 2.226) 3.693 4.159 ( 1.639 -0.747 1.141) 2.133 4.202 ( 0.052 1.147 -2.025) 2.328 4.261 ( 0.066 -2.254 1.093) 2.506 4.342 ( -0.480 -0.529 -0.046) 0.716 4.359 ( 1.295 -1.823 -2.510) 3.361 4.383 ( 2.597 0.585 3.677) 4.539 4.428 ( 1.475 -2.248 2.346) 3.568 4.455 ( -0.584 0.307 -1.583) 1.715 4.503 ( 0.646 -2.707 -1.853) 3.344 4.540 ( 0.874 0.232 0.017) 0.904 4.547 ( 0.865 0.013 0.200) 0.888 4.641 ( -3.018 2.096 -0.843) 3.770 4.665 ( -1.726 -1.137 -1.249) 2.415 4.700 ( 1.055 0.666 1.383) 1.863 4.719 ( 2.327 -0.843 -0.450) 2.515 4.842 ( -0.663 1.756 0.954) 2.105 4.882 ( -0.174 -2.316 0.240) 2.335 5.072 ( -1.455 0.729 0.159) 1.635 5.093 ( -1.195 -1.076 -1.033) 1.911 5.132 ( -1.417 -0.234 0.782) 1.635 5.149 ( 0.646 -1.372 -2.132) 2.616 5.325 ( 0.244 1.225 1.976) 2.338 5.345 ( -0.484 -0.482 1.905) 2.024 5.408 ( -1.803 1.593 -2.393) 3.393 5.431 ( -0.325 0.221 -2.539) 2.569 5.487 ( 3.374 0.272 4.032) 5.264 5.501 ( 4.118 -0.804 3.881) 5.715 5.591 ( 0.194 1.096 -1.932) 2.230 5.611 ( 1.102 -0.644 -1.248) 1.785 5.697 ( -2.430 2.589 -1.369) 3.806 5.759 ( -0.696 -3.348 -1.998) 3.960 5.849 ( 0.547 2.581 -1.122) 2.867 5.910 ( 0.116 -3.192 1.578) 3.563 6.053 ( 2.372 0.866 0.158) 2.530 6.080 ( 2.321 -1.616 0.307) 2.845 6.185 ( -1.156 1.123 0.573) 1.711 6.209 ( -1.390 2.080 -0.769) 2.617 6.217 ( -0.102 -1.874 1.168) 2.211 6.267 ( -4.289 -3.989 -0.197) 5.860 6.358 ( 1.828 1.466 -2.489) 3.418 6.390 ( 1.354 -1.910 -1.800) 2.953 6.566 ( 0.905 2.504 0.903) 2.811 6.577 ( 0.541 2.086 1.347) 2.541 6.618 ( -0.523 0.777 0.693) 1.166 6.655 ( -0.147 -2.233 -0.599) 2.316 6.715 ( 0.560 2.357 1.203) 2.705 6.757 ( 0.926 -1.339 2.222) 2.754 6.870 ( -1.352 1.820 1.882) 2.947 6.932 ( 0.292 -3.621 1.684) 4.004 7.226 ( -0.632 1.046 1.269) 1.761 7.248 ( -0.586 -1.271 0.571) 1.512 7.419 ( -0.172 4.215 2.397) 4.852 7.453 ( -0.880 2.228 0.915) 2.564 7.508 ( -0.303 6.644 1.659) 6.855 7.591 ( 0.869 -0.112 -0.136) 0.887 7.694 ( -1.283 -2.577 0.520) 2.925 7.719 ( 1.065 -2.014 -0.848) 2.431 7.735 ( -0.745 -0.314 -1.106) 1.370 7.789 ( 0.606 -3.733 -1.911) 4.237 7.917 ( 1.678 3.607 -2.015) 4.459 7.976 ( 3.662 -2.348 -0.718) 4.409 8.020 ( 0.720 1.844 -2.243) 2.991 8.068 ( 1.042 -2.603 -0.669) 2.883 8.332 ( 0.799 1.438 0.714) 1.793 8.334 ( 1.212 1.370 0.450) 1.883 8.610 ( 0.693 0.940 0.097) 1.172 8.634 ( 0.755 -1.593 -0.743) 1.913 8.747 ( -0.285 2.691 1.297) 3.001 8.812 ( -0.854 -4.105 0.567) 4.231 9.282 ( -0.130 -0.254 0.629) 0.690 9.297 ( 0.292 -1.833 1.099) 2.157 9.377 ( -0.363 0.260 -1.361) 1.433 9.396 ( -0.117 -1.658 -1.536) 2.263 9.618 ( 0.811 2.389 -0.868) 2.668 9.628 ( 0.443 1.244 0.341) 1.364 9.698 ( -1.145 1.138 2.118) 2.664 9.701 ( -0.703 0.686 1.922) 2.159 9.739 ( -0.073 0.011 -0.635) 0.639 9.764 ( -1.133 -1.592 -0.919) 2.159 9.796 ( -0.103 3.328 -0.466) 3.363 9.835 ( -0.479 -0.492 0.083) 0.691 9.909 ( -0.482 2.220 -0.155) 2.277 9.945 ( -0.872 0.417 0.158) 0.979 9.993 ( 1.052 0.016 -1.405) 1.756 10.017 ( 1.380 0.418 0.402) 1.497 10.053 ( 3.114 4.304 -0.866) 5.383 10.068 ( 0.199 0.214 1.624) 1.650 10.082 ( 1.838 0.341 -0.510) 1.937 10.103 ( 1.585 -1.518 0.332) 2.220 10.127 ( 0.544 -1.012 1.771) 2.111 10.154 ( 1.587 -2.890 -0.145) 3.300 10.215 ( 0.090 0.436 -2.848) 2.882 10.230 ( 0.538 -0.885 -3.623) 3.768 10.296 ( -0.566 0.810 1.431) 1.739 10.317 ( -0.587 -1.205 2.293) 2.656 10.398 ( -0.763 2.798 -1.406) 3.223 10.443 ( -0.351 -1.575 -1.242) 2.036 10.599 ( -0.875 0.661 4.212) 4.352 10.625 ( 0.353 -1.850 5.026) 5.368 10.678 ( -2.191 1.643 0.199) 2.745 10.719 ( -1.865 -2.326 -1.597) 3.382 10.888 ( 3.567 0.844 1.393) 3.921 10.908 ( 3.128 -1.139 0.616) 3.386 11.049 ( -0.916 0.611 0.469) 1.196 11.072 ( -1.925 -1.628 -0.181) 2.528 11.089 ( 6.504 2.184 -2.227) 7.213 11.120 ( 5.801 -0.798 -2.379) 6.320 11.192 ( 0.555 1.142 1.188) 1.739 11.199 ( 0.872 0.556 1.803) 2.079 11.300 ( -2.155 0.886 -0.463) 2.376 11.327 ( -2.634 -1.369 -2.483) 3.870 11.420 ( -1.395 -1.927 -2.086) 3.163 11.436 ( -0.636 -3.234 -0.155) 3.300 ======================= Grid point 50 (25/33) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 5.705 0.000 -12.764) 13.981 0.813 ( -5.705 0.000 12.764) 13.981 0.964 ( 3.021 0.000 -12.727) 13.080 0.964 ( -3.021 0.000 12.727) 13.080 1.540 ( -0.263 0.000 -13.330) 13.333 1.540 ( 0.263 0.000 13.330) 13.333 1.635 ( 1.506 0.000 -4.111) 4.378 1.635 ( -1.506 0.000 4.111) 4.378 1.788 ( 1.861 0.000 -10.639) 10.800 1.788 ( -1.861 0.000 10.639) 10.800 1.867 ( -4.656 0.000 -3.767) 5.989 1.867 ( 4.656 0.000 3.767) 5.989 1.924 ( -5.490 0.000 -0.734) 5.539 1.924 ( 5.490 0.000 0.734) 5.539 1.995 ( 0.871 0.000 -2.254) 2.417 1.995 ( -0.871 0.000 2.254) 2.417 2.008 ( -0.335 0.000 -1.546) 1.582 2.008 ( 0.335 0.000 1.546) 1.582 2.074 ( 0.827 0.000 -1.498) 1.711 2.074 ( -0.827 0.000 1.498) 1.711 2.165 ( -3.726 0.000 -4.889) 6.147 2.165 ( 3.726 0.000 4.889) 6.147 2.277 ( -0.054 0.000 -1.163) 1.165 2.277 ( 0.054 0.000 1.163) 1.165 2.348 ( 4.772 0.000 -3.780) 6.088 2.348 ( -4.772 0.000 3.780) 6.088 2.449 ( 0.458 0.000 -3.014) 3.048 2.449 ( -0.458 0.000 3.014) 3.048 2.465 ( 1.719 0.000 -1.138) 2.062 2.465 ( -1.719 0.000 1.138) 2.062 2.615 ( 0.225 0.000 -0.435) 0.490 2.615 ( -0.225 0.000 0.435) 0.490 2.669 ( -5.676 0.000 -3.108) 6.472 2.669 ( 5.676 0.000 3.108) 6.472 2.729 ( 0.709 0.000 -5.978) 6.020 2.729 ( -0.709 0.000 5.978) 6.020 2.820 ( -3.091 0.000 0.810) 3.195 2.820 ( 3.091 0.000 -0.810) 3.195 2.881 ( 1.739 0.000 -2.816) 3.309 2.881 ( -1.739 0.000 2.816) 3.309 2.941 ( 0.518 0.000 -4.065) 4.098 2.941 ( -0.518 0.000 4.065) 4.098 3.017 ( -4.274 0.000 -2.213) 4.813 3.017 ( 4.274 0.000 2.213) 4.813 3.223 ( 4.206 0.000 -3.081) 5.214 3.223 ( -4.206 0.000 3.081) 5.214 3.299 ( -1.027 0.000 -0.337) 1.081 3.299 ( 1.027 0.000 0.337) 1.081 3.353 ( -1.527 0.000 -0.156) 1.535 3.353 ( 1.527 0.000 0.156) 1.535 3.480 ( -2.241 0.000 -1.307) 2.594 3.480 ( 2.241 0.000 1.307) 2.594 3.569 ( 2.965 0.000 -3.303) 4.439 3.569 ( -2.965 0.000 3.303) 4.439 3.697 ( -2.638 0.000 -6.170) 6.710 3.697 ( 2.638 0.000 6.170) 6.710 3.742 ( -0.532 0.000 -1.583) 1.670 3.742 ( 0.532 0.000 1.583) 1.670 3.816 ( -0.543 0.000 -1.017) 1.153 3.816 ( 0.543 0.000 1.017) 1.153 3.878 ( -1.077 0.000 0.314) 1.121 3.878 ( 1.077 0.000 -0.314) 1.121 3.985 ( 2.765 0.000 -3.926) 4.802 3.985 ( -2.765 0.000 3.926) 4.802 4.022 ( -0.066 0.000 -4.815) 4.815 4.022 ( 0.066 0.000 4.815) 4.815 4.182 ( 0.535 0.000 -0.621) 0.820 4.182 ( -0.535 0.000 0.621) 0.820 4.252 ( 0.337 0.000 -1.860) 1.890 4.252 ( -0.337 0.000 1.860) 1.890 4.406 ( -2.076 0.000 -1.309) 2.454 4.406 ( 2.076 0.000 1.309) 2.454 4.445 ( -2.867 0.000 -1.337) 3.164 4.445 ( 2.867 0.000 1.337) 3.164 4.460 ( -3.063 0.000 -2.607) 4.023 4.460 ( 3.063 0.000 2.607) 4.023 4.620 ( -0.725 0.000 -1.600) 1.757 4.620 ( 0.725 0.000 1.600) 1.757 4.663 ( -6.620 0.000 0.962) 6.690 4.663 ( 6.620 0.000 -0.962) 6.690 4.741 ( 2.089 0.000 -1.813) 2.766 4.741 ( -2.089 0.000 1.813) 2.766 4.842 ( -3.194 0.000 -3.251) 4.557 4.842 ( 3.194 0.000 3.251) 4.557 5.054 ( -1.699 0.000 0.387) 1.743 5.054 ( 1.699 0.000 -0.387) 1.743 5.207 ( -6.251 0.000 0.791) 6.300 5.207 ( 6.251 0.000 -0.791) 6.300 5.324 ( -1.243 0.000 0.110) 1.248 5.324 ( 1.243 0.000 -0.110) 1.248 5.346 ( -0.008 0.000 -0.706) 0.706 5.346 ( 0.008 0.000 0.706) 0.706 5.523 ( 3.753 0.000 -2.227) 4.364 5.523 ( -3.753 0.000 2.227) 4.364 5.624 ( 0.391 0.000 -3.537) 3.559 5.624 ( -0.391 0.000 3.537) 3.559 5.684 ( -4.268 0.000 0.875) 4.357 5.684 ( 4.268 0.000 -0.875) 4.357 5.896 ( -5.130 0.000 -1.804) 5.438 5.896 ( 5.130 0.000 1.804) 5.438 6.069 ( 1.406 0.000 -2.694) 3.039 6.069 ( -1.406 0.000 2.694) 3.039 6.223 ( -1.822 0.000 -0.230) 1.836 6.223 ( 1.822 0.000 0.230) 1.836 6.344 ( -2.532 0.000 -1.879) 3.153 6.344 ( 2.532 0.000 1.879) 3.153 6.349 ( -2.924 0.000 0.210) 2.931 6.349 ( 2.924 0.000 -0.210) 2.931 6.483 ( 2.348 0.000 -1.342) 2.705 6.483 ( -2.348 0.000 1.342) 2.705 6.674 ( -0.708 0.000 -1.881) 2.010 6.674 ( 0.708 0.000 1.881) 2.010 6.894 ( 7.948 0.000 -5.307) 9.557 6.894 ( -7.948 0.000 5.307) 9.557 6.940 ( -3.173 0.000 -4.789) 5.744 6.940 ( 3.173 0.000 4.789) 5.744 7.225 ( -0.602 0.000 -1.125) 1.275 7.225 ( 0.602 0.000 1.125) 1.275 7.236 ( 0.245 0.000 -0.389) 0.460 7.236 ( -0.245 0.000 0.389) 0.460 7.458 ( 0.102 0.000 -1.239) 1.243 7.458 ( -0.102 0.000 1.239) 1.243 7.667 ( -1.766 0.000 0.282) 1.789 7.667 ( 1.766 0.000 -0.282) 1.789 7.866 ( -0.378 0.000 -3.317) 3.339 7.866 ( 0.378 0.000 3.317) 3.339 7.869 ( -1.339 0.000 -2.324) 2.682 7.869 ( 1.339 0.000 2.324) 2.682 8.209 ( 4.462 0.000 -3.497) 5.669 8.209 ( -4.462 0.000 3.497) 5.669 8.271 ( 0.155 0.000 -0.155) 0.219 8.271 ( -0.155 0.000 0.155) 0.219 8.655 ( 1.462 0.000 -3.113) 3.439 8.655 ( -1.462 0.000 3.113) 3.439 8.767 ( -5.115 0.000 -3.710) 6.319 8.767 ( 5.115 0.000 3.710) 6.319 9.376 ( -2.767 0.000 0.106) 2.769 9.376 ( 2.767 0.000 -0.106) 2.769 9.411 ( 0.222 0.000 -0.763) 0.794 9.411 ( -0.222 0.000 0.763) 0.794 9.525 ( 0.813 0.000 -0.925) 1.231 9.525 ( -0.813 0.000 0.925) 1.231 9.678 ( -0.961 0.000 0.085) 0.965 9.678 ( 0.961 0.000 -0.085) 0.965 9.715 ( -0.612 0.000 -1.994) 2.086 9.715 ( 0.612 0.000 1.994) 2.086 9.839 ( 0.182 0.000 -1.532) 1.543 9.839 ( -0.182 0.000 1.532) 1.543 9.861 ( -2.468 0.000 -2.642) 3.615 9.861 ( 2.468 0.000 2.642) 3.615 9.907 ( -0.916 0.000 -1.792) 2.013 9.907 ( 0.916 0.000 1.792) 2.013 10.063 ( -0.162 0.000 -1.549) 1.558 10.063 ( 0.162 0.000 1.549) 1.558 10.127 ( 0.585 0.000 -0.334) 0.673 10.127 ( -0.585 0.000 0.334) 0.673 10.138 ( -0.067 0.000 -0.968) 0.971 10.138 ( 0.067 0.000 0.968) 0.971 10.215 ( 0.798 0.000 -3.418) 3.510 10.215 ( -0.798 0.000 3.418) 3.510 10.280 ( 1.102 0.000 -0.846) 1.389 10.280 ( -1.102 0.000 0.846) 1.389 10.464 ( -5.347 0.000 -1.078) 5.454 10.464 ( 5.347 0.000 1.078) 5.454 10.643 ( 0.448 0.000 -3.185) 3.216 10.643 ( -0.448 0.000 3.185) 3.216 10.779 ( -1.611 0.000 -6.098) 6.308 10.779 ( 1.611 0.000 6.098) 6.308 10.916 ( -3.309 0.000 1.099) 3.487 10.916 ( 3.309 0.000 -1.099) 3.487 11.038 ( 1.330 0.000 -1.002) 1.665 11.038 ( -1.330 0.000 1.002) 1.665 11.150 ( -1.879 0.000 -0.627) 1.981 11.150 ( 1.879 0.000 0.627) 1.981 11.205 ( -2.933 0.000 -2.338) 3.751 11.205 ( 2.933 0.000 2.338) 3.751 11.346 ( 3.704 0.000 -1.525) 4.006 11.346 ( -3.704 0.000 1.525) 4.006 11.467 ( -10.546 0.000 0.343) 10.551 11.467 ( 10.546 0.000 -0.343) 10.551 ======================= Grid point 52 (26/33) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 7.058 0.000 9.629) 11.938 0.910 ( 7.865 0.000 -18.119) 19.753 1.038 ( 5.948 0.000 17.152) 18.154 1.062 ( 9.943 0.000 -7.779) 12.624 1.527 ( -1.189 0.000 -1.815) 2.169 1.576 ( -7.044 0.000 7.926) 10.604 1.643 ( -1.552 0.000 -0.399) 1.602 1.644 ( 4.444 0.000 10.252) 11.174 1.686 ( -7.038 0.000 -3.035) 7.665 1.735 ( -4.493 0.000 -7.174) 8.464 1.812 ( 4.134 0.000 -12.655) 13.313 1.855 ( -1.390 0.000 -3.021) 3.326 1.877 ( -6.459 0.000 -6.613) 9.243 1.889 ( -3.943 0.000 1.066) 4.084 1.975 ( 2.386 0.000 7.179) 7.565 1.996 ( 0.399 0.000 -1.845) 1.888 2.048 ( 3.044 0.000 0.964) 3.193 2.071 ( 4.063 0.000 0.737) 4.129 2.112 ( 1.035 0.000 -5.050) 5.155 2.153 ( 5.488 0.000 -3.370) 6.440 2.185 ( 7.735 0.000 5.334) 9.396 2.240 ( 1.077 0.000 -1.583) 1.915 2.276 ( 1.827 0.000 1.109) 2.138 2.294 ( 1.105 0.000 1.426) 1.804 2.322 ( 1.860 0.000 4.217) 4.609 2.413 ( -3.741 0.000 -0.417) 3.764 2.436 ( 4.158 0.000 0.005) 4.158 2.436 ( 1.442 0.000 -3.630) 3.906 2.486 ( 1.508 0.000 1.746) 2.307 2.500 ( 0.509 0.000 1.817) 1.887 2.597 ( 0.235 0.000 1.148) 1.172 2.613 ( -0.693 0.000 0.192) 0.719 2.614 ( -0.518 0.000 -2.747) 2.796 2.673 ( -3.730 0.000 -5.218) 6.414 2.723 ( -2.629 0.000 8.692) 9.081 2.751 ( -1.133 0.000 4.139) 4.291 2.767 ( -1.834 0.000 3.371) 3.838 2.861 ( -1.620 0.000 2.816) 3.249 2.878 ( 2.118 0.000 1.710) 2.722 2.918 ( 0.520 0.000 0.836) 0.985 2.932 ( 0.901 0.000 -3.527) 3.640 2.948 ( 1.844 0.000 2.456) 3.071 2.980 ( 1.370 0.000 -1.193) 1.816 3.058 ( -2.656 0.000 1.247) 2.935 3.183 ( 1.752 0.000 0.558) 1.839 3.260 ( -0.300 0.000 -4.367) 4.377 3.264 ( -2.151 0.000 -1.291) 2.509 3.306 ( -1.051 0.000 1.685) 1.986 3.323 ( 0.739 0.000 -3.765) 3.837 3.355 ( -1.353 0.000 -1.563) 2.067 3.433 ( -3.217 0.000 0.386) 3.240 3.521 ( 0.802 0.000 -2.828) 2.939 3.526 ( -0.405 0.000 3.179) 3.205 3.541 ( -4.596 0.000 -2.513) 5.238 3.640 ( -0.140 0.000 -1.980) 1.985 3.685 ( -2.434 0.000 0.589) 2.504 3.745 ( -1.374 0.000 1.712) 2.195 3.746 ( -1.548 0.000 2.843) 3.237 3.800 ( -2.698 0.000 1.072) 2.903 3.809 ( -0.327 0.000 0.534) 0.626 3.861 ( -1.751 0.000 0.824) 1.935 3.876 ( 2.397 0.000 -0.025) 2.397 3.957 ( -1.079 0.000 2.693) 2.901 4.006 ( -1.720 0.000 1.438) 2.242 4.029 ( 1.702 0.000 -5.674) 5.924 4.059 ( 3.900 0.000 -5.147) 6.458 4.141 ( -3.144 0.000 2.783) 4.198 4.187 ( 1.800 0.000 1.509) 2.348 4.260 ( -1.558 0.000 -2.624) 3.051 4.317 ( 4.383 0.000 -0.218) 4.389 4.363 ( 0.108 0.000 1.093) 1.098 4.387 ( -2.069 0.000 -1.309) 2.448 4.416 ( -1.686 0.000 3.070) 3.502 4.418 ( -0.314 0.000 -1.669) 1.698 4.465 ( -1.697 0.000 -0.597) 1.799 4.508 ( -3.665 0.000 -0.654) 3.723 4.544 ( 1.180 0.000 0.419) 1.252 4.579 ( -2.316 0.000 -4.007) 4.628 4.628 ( -0.214 0.000 1.555) 1.569 4.714 ( -1.586 0.000 1.911) 2.483 4.726 ( 0.586 0.000 0.355) 0.685 4.753 ( -3.091 0.000 0.215) 3.098 4.820 ( 3.700 0.000 -4.904) 6.143 4.894 ( 0.635 0.000 2.923) 2.991 5.040 ( 0.284 0.000 2.206) 2.224 5.086 ( 1.352 0.000 -1.498) 2.018 5.117 ( -1.746 0.000 1.546) 2.332 5.273 ( -0.093 0.000 -0.295) 0.309 5.323 ( -1.518 0.000 -0.861) 1.745 5.323 ( 0.608 0.000 1.045) 1.209 5.336 ( -0.949 0.000 0.762) 1.217 5.370 ( 1.745 0.000 0.643) 1.859 5.467 ( -2.304 0.000 3.128) 3.885 5.556 ( -2.333 0.000 -3.238) 3.991 5.595 ( 0.557 0.000 -1.181) 1.306 5.630 ( -0.047 0.000 2.748) 2.749 5.691 ( 4.211 0.000 -4.032) 5.830 5.791 ( 6.533 0.000 -2.724) 7.078 5.836 ( 1.058 0.000 -0.506) 1.173 5.956 ( -1.014 0.000 1.744) 2.017 6.037 ( -1.724 0.000 1.819) 2.506 6.054 ( -2.219 0.000 -1.086) 2.470 6.160 ( -1.671 0.000 1.142) 2.024 6.209 ( -2.157 0.000 0.354) 2.186 6.303 ( -2.494 0.000 -2.233) 3.348 6.331 ( -2.848 0.000 3.083) 4.197 6.345 ( 2.137 0.000 1.055) 2.383 6.460 ( 0.619 0.000 0.807) 1.017 6.469 ( 4.303 0.000 1.170) 4.460 6.517 ( 1.358 0.000 -0.860) 1.608 6.654 ( -1.159 0.000 -1.057) 1.568 6.690 ( -0.420 0.000 -0.420) 0.594 6.759 ( -5.707 0.000 8.659) 10.371 6.852 ( -3.575 0.000 -6.034) 7.014 6.995 ( 1.525 0.000 2.478) 2.910 7.000 ( 4.225 0.000 -5.145) 6.657 7.221 ( 0.304 0.000 -0.594) 0.668 7.236 ( 0.304 0.000 0.252) 0.395 7.238 ( 0.013 0.000 -0.123) 0.124 7.247 ( 1.058 0.000 -0.065) 1.060 7.455 ( -0.061 0.000 -0.756) 0.758 7.460 ( -0.107 0.000 1.297) 1.301 7.645 ( -0.562 0.000 0.573) 0.803 7.704 ( 1.488 0.000 0.039) 1.488 7.837 ( -1.266 0.000 -1.101) 1.678 7.846 ( -0.792 0.000 -3.415) 3.506 7.883 ( 0.397 0.000 2.690) 2.719 7.897 ( 0.523 0.000 1.790) 1.865 8.087 ( -6.322 0.000 -0.394) 6.334 8.192 ( -4.715 0.000 -2.745) 5.456 8.268 ( -0.175 0.000 0.233) 0.292 8.272 ( 0.026 0.000 -0.620) 0.621 8.623 ( -2.023 0.000 2.960) 3.585 8.626 ( -1.567 0.000 -3.322) 3.674 8.753 ( 3.100 0.000 -2.135) 3.764 8.874 ( 2.292 0.000 6.476) 6.870 9.337 ( -0.480 0.000 -1.368) 1.449 9.404 ( -0.729 0.000 0.736) 1.036 9.413 ( 0.254 0.000 -0.890) 0.925 9.427 ( 2.300 0.000 -2.113) 3.124 9.516 ( -0.451 0.000 2.010) 2.060 9.527 ( -0.723 0.000 -0.834) 1.104 9.673 ( 0.522 0.000 -0.228) 0.570 9.692 ( -0.487 0.000 -0.915) 1.037 9.696 ( 0.509 0.000 0.116) 0.522 9.725 ( 0.067 0.000 1.830) 1.832 9.793 ( -2.690 0.000 -2.412) 3.613 9.816 ( -2.137 0.000 0.109) 2.139 9.821 ( -0.925 0.000 -2.559) 2.722 9.892 ( -3.683 0.000 2.851) 4.658 9.904 ( 0.665 0.000 2.309) 2.403 9.909 ( 1.511 0.000 2.357) 2.800 10.058 ( 0.236 0.000 -0.521) 0.572 10.079 ( 1.104 0.000 1.690) 2.018 10.110 ( -0.843 0.000 -1.666) 1.867 10.137 ( 1.455 0.000 0.403) 1.510 10.147 ( 0.361 0.000 0.707) 0.793 10.170 ( 1.714 0.000 -0.610) 1.819 10.204 ( -1.310 0.000 3.927) 4.140 10.213 ( 0.028 0.000 -1.747) 1.747 10.261 ( -0.989 0.000 0.611) 1.163 10.308 ( 1.888 0.000 -1.150) 2.210 10.381 ( -1.700 0.000 0.020) 1.700 10.499 ( -2.769 0.000 -0.670) 2.849 10.657 ( 1.595 0.000 -3.273) 3.641 10.670 ( 1.748 0.000 2.128) 2.754 10.742 ( 0.545 0.000 -1.975) 2.049 10.787 ( -2.251 0.000 4.835) 5.333 10.885 ( -0.342 0.000 5.512) 5.522 10.918 ( -3.115 0.000 -2.649) 4.089 10.997 ( -3.649 0.000 -0.423) 3.673 11.033 ( -7.272 0.000 -3.014) 7.872 11.095 ( 1.718 0.000 0.473) 1.782 11.159 ( -0.413 0.000 -1.925) 1.969 11.171 ( 0.047 0.000 1.439) 1.440 11.247 ( -0.700 0.000 -0.562) 0.898 11.291 ( -1.234 0.000 -3.210) 3.439 11.298 ( -1.814 0.000 2.953) 3.466 11.452 ( 5.037 0.000 1.630) 5.294 11.581 ( 1.661 0.000 -4.849) 5.125 ======================= Grid point 53 (27/33) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 13.103 0.000 -10.425) 16.744 1.074 ( 10.804 0.000 4.367) 11.654 1.197 ( 3.086 0.000 4.267) 5.265 1.276 ( 11.773 0.000 -2.835) 12.109 1.349 ( -14.908 0.000 4.323) 15.522 1.468 ( -7.675 0.000 9.842) 12.481 1.507 ( -4.213 0.000 1.582) 4.500 1.594 ( -4.517 0.000 -3.849) 5.934 1.657 ( -4.237 0.000 -3.378) 5.419 1.663 ( -2.048 0.000 -5.840) 6.189 1.817 ( 5.670 0.000 -0.192) 5.673 1.861 ( 0.958 0.000 -1.367) 1.669 1.868 ( 0.869 0.000 -0.562) 1.035 1.899 ( 1.268 0.000 -2.737) 3.016 1.991 ( 0.565 0.000 -1.661) 1.754 1.991 ( -0.846 0.000 3.483) 3.584 2.089 ( -1.111 0.000 0.642) 1.283 2.104 ( 1.024 0.000 -2.194) 2.421 2.169 ( 4.149 0.000 -0.208) 4.154 2.193 ( 1.413 0.000 2.347) 2.740 2.273 ( 1.814 0.000 -0.925) 2.037 2.311 ( 0.748 0.000 0.697) 1.022 2.339 ( 0.228 0.000 -0.071) 0.239 2.379 ( 2.856 0.000 0.039) 2.856 2.397 ( 8.214 0.000 3.505) 8.930 2.402 ( 7.087 0.000 -4.482) 8.385 2.472 ( -2.642 0.000 2.949) 3.959 2.477 ( -4.735 0.000 -1.233) 4.893 2.490 ( -1.612 0.000 2.750) 3.188 2.514 ( 8.538 0.000 -8.854) 12.300 2.536 ( -3.336 0.000 -2.249) 4.023 2.587 ( -1.866 0.000 0.877) 2.062 2.606 ( -1.339 0.000 -4.473) 4.669 2.627 ( 1.140 0.000 8.608) 8.683 2.675 ( -4.175 0.000 5.098) 6.589 2.708 ( -3.442 0.000 0.714) 3.515 2.786 ( 1.846 0.000 3.898) 4.313 2.823 ( -1.564 0.000 -0.794) 1.754 2.903 ( -0.861 0.000 1.496) 1.726 2.908 ( -0.583 0.000 0.893) 1.067 2.930 ( 0.892 0.000 -7.000) 7.057 2.957 ( -4.409 0.000 7.253) 8.488 3.042 ( 3.700 0.000 4.362) 5.720 3.062 ( 5.176 0.000 -5.108) 7.272 3.174 ( -3.858 0.000 0.540) 3.896 3.199 ( -4.039 0.000 -1.853) 4.444 3.261 ( 1.740 0.000 -0.798) 1.915 3.273 ( -1.275 0.000 -0.368) 1.327 3.313 ( -0.244 0.000 -0.638) 0.683 3.353 ( 0.090 0.000 -0.804) 0.809 3.398 ( -0.171 0.000 2.074) 2.081 3.422 ( -3.203 0.000 -4.633) 5.633 3.529 ( 0.534 0.000 -2.430) 2.487 3.544 ( -0.394 0.000 2.990) 3.016 3.644 ( -0.116 0.000 1.518) 1.522 3.648 ( -0.795 0.000 -1.156) 1.403 3.709 ( -2.044 0.000 2.318) 3.090 3.712 ( -1.541 0.000 -0.645) 1.671 3.768 ( -0.207 0.000 0.378) 0.431 3.790 ( -1.705 0.000 0.350) 1.740 3.863 ( 2.218 0.000 3.202) 3.895 3.915 ( 0.574 0.000 -3.766) 3.809 3.972 ( 0.045 0.000 -1.212) 1.213 3.975 ( -1.466 0.000 1.226) 1.911 4.012 ( 0.432 0.000 4.348) 4.369 4.078 ( -1.152 0.000 -5.609) 5.726 4.135 ( 1.431 0.000 1.882) 2.364 4.179 ( -2.322 0.000 -4.613) 5.165 4.249 ( 2.091 0.000 1.942) 2.853 4.314 ( -3.945 0.000 -0.964) 4.061 4.366 ( 0.472 0.000 -0.385) 0.609 4.396 ( -2.133 0.000 0.428) 2.175 4.418 ( 3.835 0.000 2.833) 4.768 4.428 ( 1.500 0.000 3.957) 4.232 4.445 ( 2.266 0.000 -1.162) 2.546 4.490 ( -0.504 0.000 -1.277) 1.373 4.518 ( -2.007 0.000 -3.818) 4.313 4.520 ( -2.398 0.000 -2.815) 3.698 4.667 ( 2.083 0.000 4.050) 4.554 4.687 ( -0.616 0.000 -0.372) 0.720 4.694 ( -2.317 0.000 0.382) 2.349 4.720 ( -1.273 0.000 -1.069) 1.662 4.864 ( 2.049 0.000 -3.847) 4.359 4.888 ( -1.536 0.000 2.948) 3.324 5.071 ( 1.345 0.000 3.510) 3.759 5.093 ( 0.267 0.000 -3.166) 3.177 5.140 ( 2.522 0.000 1.298) 2.836 5.211 ( -4.245 0.000 -0.822) 4.324 5.313 ( 0.162 0.000 -0.500) 0.526 5.320 ( -0.625 0.000 -0.011) 0.626 5.347 ( 1.148 0.000 1.609) 1.976 5.373 ( -0.976 0.000 -0.484) 1.089 5.460 ( 0.468 0.000 3.506) 3.537 5.495 ( -1.950 0.000 -3.254) 3.794 5.612 ( 1.402 0.000 -3.496) 3.767 5.628 ( -1.081 0.000 3.165) 3.344 5.775 ( 5.114 0.000 -3.789) 6.364 5.855 ( -2.733 0.000 1.060) 2.931 5.905 ( 4.125 0.000 2.033) 4.598 5.953 ( 4.027 0.000 -1.020) 4.154 5.993 ( -2.957 0.000 -0.877) 3.085 6.027 ( -0.678 0.000 1.484) 1.631 6.152 ( -0.578 0.000 -1.153) 1.290 6.155 ( -2.735 0.000 1.030) 2.923 6.251 ( -1.309 0.000 -0.228) 1.329 6.271 ( -3.010 0.000 0.970) 3.162 6.406 ( 3.375 0.000 1.218) 3.588 6.471 ( -2.500 0.000 -1.283) 2.810 6.522 ( 4.764 0.000 -0.386) 4.780 6.558 ( 2.034 0.000 1.053) 2.290 6.618 ( -1.985 0.000 -1.417) 2.439 6.626 ( -4.007 0.000 0.139) 4.010 6.752 ( -0.433 0.000 9.942) 9.952 6.783 ( -1.431 0.000 -6.936) 7.082 7.024 ( 0.962 0.000 1.634) 1.896 7.035 ( 0.835 0.000 -3.131) 3.241 7.227 ( 0.331 0.000 0.026) 0.332 7.234 ( -0.286 0.000 -0.274) 0.396 7.248 ( 0.650 0.000 0.286) 0.710 7.257 ( -0.016 0.000 -0.492) 0.492 7.454 ( 0.124 0.000 0.032) 0.128 7.459 ( -0.311 0.000 0.669) 0.737 7.651 ( 1.173 0.000 1.047) 1.573 7.696 ( -2.307 0.000 -0.797) 2.441 7.816 ( -0.785 0.000 0.954) 1.235 7.817 ( -0.552 0.000 -2.808) 2.862 7.894 ( 0.038 0.000 1.937) 1.938 7.898 ( -0.070 0.000 -0.796) 0.799 8.028 ( 0.544 0.000 -0.525) 0.756 8.081 ( -4.677 0.000 -0.196) 4.681 8.267 ( -0.056 0.000 0.554) 0.557 8.269 ( -0.073 0.000 -0.751) 0.754 8.602 ( -1.019 0.000 3.348) 3.499 8.603 ( -0.041 0.000 -3.717) 3.717 8.820 ( 4.109 0.000 -3.052) 5.118 8.880 ( -2.764 0.000 4.888) 5.615 9.350 ( 1.684 0.000 -0.538) 1.768 9.383 ( -1.517 0.000 0.343) 1.555 9.419 ( 0.718 0.000 -0.668) 0.980 9.438 ( -0.778 0.000 -1.110) 1.356 9.510 ( 0.181 0.000 -1.532) 1.542 9.515 ( -0.500 0.000 2.463) 2.514 9.689 ( 0.887 0.000 -0.041) 0.888 9.699 ( -0.224 0.000 0.732) 0.766 9.716 ( 3.194 0.000 -1.428) 3.498 9.730 ( 0.082 0.000 1.378) 1.381 9.748 ( -1.317 0.000 -1.723) 2.169 9.790 ( -0.518 0.000 0.827) 0.976 9.792 ( -2.483 0.000 0.109) 2.485 9.806 ( -3.587 0.000 -0.236) 3.595 9.926 ( 0.606 0.000 1.774) 1.875 9.931 ( 0.316 0.000 0.345) 0.468 10.070 ( 0.971 0.000 -0.025) 0.971 10.090 ( -0.898 0.000 -0.717) 1.149 10.112 ( 1.649 0.000 1.031) 1.944 10.139 ( -0.700 0.000 -0.251) 0.743 10.180 ( 0.638 0.000 -3.359) 3.419 10.180 ( 1.500 0.000 1.545) 2.153 10.189 ( -1.241 0.000 3.841) 4.036 10.207 ( -0.652 0.000 -1.402) 1.547 10.279 ( 2.306 0.000 3.099) 3.863 10.327 ( -0.209 0.000 -2.894) 2.902 10.376 ( 0.320 0.000 0.974) 1.025 10.410 ( -3.684 0.000 -2.457) 4.428 10.680 ( 1.531 0.000 -2.644) 3.056 10.692 ( -0.131 0.000 2.027) 2.031 10.765 ( -0.775 0.000 5.645) 5.698 10.794 ( 3.545 0.000 -0.395) 3.567 10.815 ( -3.186 0.000 -5.474) 6.334 10.898 ( -1.543 0.000 -0.216) 1.558 10.901 ( -3.951 0.000 3.656) 5.383 10.924 ( -2.104 0.000 -2.901) 3.584 11.131 ( 1.241 0.000 0.018) 1.241 11.150 ( -0.714 0.000 -0.322) 0.783 11.188 ( 1.441 0.000 1.526) 2.099 11.220 ( -0.943 0.000 -2.865) 3.017 11.287 ( -0.299 0.000 2.415) 2.433 11.292 ( 0.052 0.000 -0.905) 0.907 11.523 ( 1.648 0.000 2.334) 2.857 11.557 ( -1.602 0.000 -2.489) 2.960 ======================= Grid point 56 (28/33) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 3.889 6.330 -18.003) 19.475 0.869 ( -3.889 6.330 18.003) 19.475 1.076 ( 4.346 8.861 -14.938) 17.904 1.076 ( -4.346 8.861 14.938) 17.904 1.535 ( 0.174 -2.863 -2.660) 3.912 1.535 ( -0.174 -2.863 2.660) 3.912 1.608 ( -1.665 -3.341 -0.639) 3.787 1.608 ( 1.665 -3.341 0.639) 3.787 1.706 ( -0.977 -9.951 -4.249) 10.865 1.706 ( 0.977 -9.951 4.249) 10.865 1.796 ( -4.427 -3.100 -5.857) 7.969 1.796 ( 4.427 -3.100 5.857) 7.969 1.910 ( 0.863 3.406 -4.962) 6.080 1.910 ( -0.863 3.406 4.962) 6.080 2.006 ( 0.709 1.941 -1.663) 2.652 2.006 ( -0.709 1.941 1.663) 2.652 2.070 ( 1.416 3.696 -1.571) 4.258 2.070 ( -1.416 3.696 1.571) 4.258 2.097 ( 0.619 -0.342 -1.676) 1.819 2.097 ( -0.619 -0.342 1.676) 1.819 2.212 ( -1.250 3.339 -2.989) 4.653 2.212 ( 1.250 3.339 2.989) 4.653 2.284 ( 2.132 2.082 -2.826) 4.107 2.284 ( -2.132 2.082 2.826) 4.107 2.363 ( 1.478 1.488 -1.496) 2.576 2.363 ( -1.478 1.488 1.496) 2.576 2.430 ( -0.959 -0.394 -3.192) 3.356 2.430 ( 0.959 -0.394 3.192) 3.356 2.497 ( -2.508 2.209 -3.115) 4.568 2.497 ( 2.508 2.209 3.115) 4.568 2.642 ( 0.757 2.766 -0.982) 3.031 2.642 ( -0.757 2.766 0.982) 3.031 2.689 ( 0.583 0.843 -1.817) 2.086 2.689 ( -0.583 0.843 1.817) 2.086 2.734 ( 0.476 1.807 -4.886) 5.231 2.734 ( -0.476 1.807 4.886) 5.231 2.806 ( 1.699 -1.614 -2.289) 3.275 2.806 ( -1.699 -1.614 2.289) 3.275 2.890 ( 0.456 1.896 -0.886) 2.142 2.890 ( -0.456 1.896 0.886) 2.142 2.975 ( 1.544 3.812 -2.662) 4.899 2.975 ( -1.544 3.812 2.662) 4.899 3.062 ( -1.997 2.568 -1.794) 3.714 3.062 ( 1.997 2.568 1.794) 3.714 3.192 ( 3.432 -2.224 -2.296) 4.690 3.192 ( -3.432 -2.224 2.296) 4.690 3.288 ( -1.380 -0.830 -1.014) 1.903 3.288 ( 1.380 -0.830 1.014) 1.903 3.370 ( -2.572 -1.810 -1.155) 3.351 3.370 ( 2.572 -1.810 1.155) 3.351 3.427 ( -1.943 -1.806 -0.478) 2.696 3.427 ( 1.943 -1.806 0.478) 2.696 3.568 ( -0.714 -1.482 -2.423) 2.929 3.568 ( 0.714 -1.482 2.423) 2.929 3.705 ( 0.561 -1.951 -0.440) 2.077 3.705 ( -0.561 -1.951 0.440) 2.077 3.727 ( -2.758 -4.344 -2.502) 5.722 3.727 ( 2.758 -4.344 2.502) 5.722 3.791 ( -0.698 0.341 -3.017) 3.115 3.791 ( 0.698 0.341 3.017) 3.115 3.877 ( -0.989 -1.242 -2.057) 2.598 3.877 ( 0.989 -1.242 2.057) 2.598 3.928 ( -0.909 -3.068 -4.352) 5.402 3.928 ( 0.909 -3.068 4.352) 5.402 3.997 ( -1.718 -0.041 -1.289) 2.148 3.997 ( 1.718 -0.041 1.289) 2.148 4.163 ( -1.198 -1.600 -0.862) 2.177 4.163 ( 1.198 -1.600 0.862) 2.177 4.270 ( 1.222 1.026 -4.515) 4.789 4.270 ( -1.222 1.026 4.515) 4.789 4.376 ( -1.150 -4.038 -1.717) 4.537 4.376 ( 1.150 -4.038 1.717) 4.537 4.425 ( -2.320 0.560 -0.899) 2.550 4.425 ( 2.320 0.560 0.899) 2.550 4.484 ( -1.955 1.073 -1.632) 2.764 4.484 ( 1.955 1.073 1.632) 2.764 4.595 ( -0.459 -2.122 -2.171) 3.070 4.595 ( 0.459 -2.122 2.171) 3.070 4.651 ( -3.465 -1.579 -0.787) 3.888 4.651 ( 3.465 -1.579 0.787) 3.888 4.745 ( 2.565 0.170 -2.292) 3.444 4.745 ( -2.565 0.170 2.292) 3.444 4.839 ( -2.615 0.091 -2.308) 3.489 4.839 ( 2.615 0.091 2.308) 3.489 5.056 ( -0.231 0.359 -0.917) 1.012 5.056 ( 0.231 0.359 0.917) 1.012 5.172 ( 2.086 -2.756 -1.314) 3.698 5.172 ( -2.086 -2.756 1.314) 3.698 5.325 ( 0.178 0.282 -0.487) 0.590 5.325 ( -0.178 0.282 0.487) 0.590 5.365 ( -0.007 1.338 -1.214) 1.807 5.365 ( 0.007 1.338 1.214) 1.807 5.533 ( 1.939 0.453 -1.952) 2.788 5.533 ( -1.939 0.453 1.952) 2.788 5.643 ( 2.366 0.115 -3.438) 4.175 5.643 ( -2.366 0.115 3.438) 4.175 5.680 ( -4.504 1.441 -0.258) 4.736 5.680 ( 4.504 1.441 0.258) 4.736 5.898 ( -4.789 -0.488 -1.831) 5.150 5.898 ( 4.789 -0.488 1.831) 5.150 6.079 ( 0.533 1.275 -2.543) 2.894 6.079 ( -0.533 1.275 2.543) 2.894 6.190 ( -0.852 -2.739 -0.865) 2.997 6.190 ( 0.852 -2.739 0.865) 2.997 6.273 ( 2.195 -3.868 -2.852) 5.283 6.273 ( -2.195 -3.868 2.852) 5.283 6.384 ( -0.369 0.846 -2.557) 2.719 6.384 ( 0.369 0.846 2.557) 2.719 6.525 ( 1.602 3.680 -1.082) 4.156 6.525 ( -1.602 3.680 1.082) 4.156 6.661 ( -0.640 -1.213 -1.476) 2.015 6.661 ( 0.640 -1.213 1.476) 2.015 6.819 ( -4.522 -4.025 -0.395) 6.066 6.819 ( 4.522 -4.025 0.395) 6.066 6.931 ( -2.418 -0.713 -4.099) 4.812 6.931 ( 2.418 -0.713 4.099) 4.812 7.237 ( 0.413 0.856 -2.270) 2.461 7.237 ( -0.413 0.856 2.270) 2.461 7.323 ( 0.893 6.041 -2.106) 6.459 7.323 ( -0.893 6.041 2.106) 6.459 7.516 ( 0.230 4.719 -5.026) 6.898 7.516 ( -0.230 4.719 5.026) 6.898 7.687 ( -2.099 1.944 0.194) 2.867 7.687 ( 2.099 1.944 -0.194) 2.867 7.829 ( -0.099 -3.600 -1.580) 3.932 7.829 ( 0.099 -3.600 1.580) 3.932 7.879 ( -1.163 1.052 -3.667) 3.988 7.879 ( 1.163 1.052 3.667) 3.988 8.139 ( 0.399 -5.479 -1.665) 5.740 8.139 ( -0.399 -5.479 1.665) 5.740 8.315 ( 0.727 2.938 -1.203) 3.257 8.315 ( -0.727 2.938 1.203) 3.257 8.653 ( 1.157 -0.143 -2.572) 2.824 8.653 ( -1.157 -0.143 2.572) 2.824 8.764 ( -3.715 -0.347 -2.740) 4.629 8.764 ( 3.715 -0.347 2.740) 4.629 9.339 ( -1.246 -2.247 -1.218) 2.844 9.339 ( 1.246 -2.247 1.218) 2.844 9.395 ( -0.001 -1.969 -1.490) 2.469 9.395 ( 0.001 -1.969 1.490) 2.469 9.565 ( -1.393 3.131 0.058) 3.427 9.565 ( 1.393 3.131 -0.058) 3.427 9.690 ( 1.004 0.863 -0.804) 1.549 9.690 ( -1.004 0.863 0.804) 1.549 9.741 ( 0.594 1.625 -1.733) 2.448 9.741 ( -0.594 1.625 1.733) 2.448 9.817 ( -1.601 -0.711 -1.705) 2.445 9.817 ( 1.601 -0.711 1.705) 2.445 9.877 ( 0.088 2.100 -0.553) 2.173 9.877 ( -0.088 2.100 0.553) 2.173 9.952 ( 0.879 2.620 -1.456) 3.124 9.952 ( -0.879 2.620 1.456) 3.124 10.069 ( -0.863 1.230 -1.433) 2.077 10.069 ( 0.863 1.230 1.433) 2.077 10.126 ( -2.079 0.382 -1.106) 2.386 10.126 ( 2.079 0.382 1.106) 2.386 10.163 ( -0.251 0.706 -0.248) 0.789 10.163 ( 0.251 0.706 0.248) 0.789 10.193 ( 0.912 -0.955 -2.546) 2.868 10.193 ( -0.912 -0.955 2.546) 2.868 10.298 ( 0.095 1.158 -1.799) 2.141 10.298 ( -0.095 1.158 1.799) 2.141 10.440 ( -3.921 -1.921 -1.806) 4.725 10.440 ( 3.921 -1.921 1.806) 4.725 10.640 ( 0.340 -0.234 -2.780) 2.811 10.640 ( -0.340 -0.234 2.780) 2.811 10.748 ( -1.431 -2.417 -4.014) 4.900 10.748 ( 1.431 -2.417 4.014) 4.900 10.910 ( -2.594 -0.760 -0.024) 2.703 10.910 ( 2.594 -0.760 0.024) 2.703 11.040 ( 0.744 0.110 -1.240) 1.451 11.040 ( -0.744 0.110 1.240) 1.451 11.156 ( -0.566 0.622 -0.253) 0.878 11.156 ( 0.566 0.622 0.253) 0.878 11.200 ( -2.739 -0.416 -1.981) 3.406 11.200 ( 2.739 -0.416 1.981) 3.406 11.342 ( 1.457 -0.428 -2.626) 3.034 11.342 ( -1.457 -0.428 2.626) 3.034 11.428 ( -7.602 -3.331 -1.443) 8.424 11.428 ( 7.602 -3.331 1.443) 8.424 ======================= Grid point 58 (29/33) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 6.602 6.085 9.864) 13.338 0.957 ( 8.829 6.902 -9.130) 14.455 1.097 ( 3.009 5.957 11.409) 13.218 1.178 ( 8.280 8.916 -7.416) 14.249 1.478 ( -2.051 -4.986 1.727) 5.661 1.529 ( -3.692 -6.098 1.610) 7.308 1.588 ( -8.233 -0.058 0.973) 8.290 1.634 ( -0.046 -3.689 -2.570) 4.496 1.660 ( 4.580 -2.320 -1.815) 5.446 1.733 ( 1.666 -9.572 -1.336) 9.807 1.803 ( 1.923 -6.407 -1.968) 6.973 1.858 ( -1.517 0.959 -0.329) 1.825 1.870 ( 0.987 2.347 -0.687) 2.637 1.903 ( -5.983 2.296 0.430) 6.423 1.918 ( -1.795 0.140 -2.506) 3.086 2.001 ( -1.551 6.255 3.497) 7.332 2.029 ( 2.799 0.161 1.340) 3.108 2.086 ( 0.690 -0.812 -1.826) 2.114 2.139 ( 1.458 -1.522 -1.655) 2.679 2.167 ( 1.956 0.933 -3.041) 3.734 2.179 ( 3.772 3.095 -2.457) 5.463 2.265 ( 2.055 1.276 2.435) 3.433 2.283 ( 0.452 0.567 1.471) 1.640 2.319 ( 1.959 4.934 -1.118) 5.425 2.350 ( 0.162 2.021 -1.740) 2.672 2.380 ( -0.603 -3.299 -2.412) 4.131 2.435 ( 2.647 0.387 -0.217) 2.684 2.455 ( 2.042 2.465 0.067) 3.202 2.490 ( 2.292 1.741 0.600) 2.940 2.544 ( -0.256 2.945 2.862) 4.115 2.591 ( -0.746 1.582 3.848) 4.227 2.628 ( -3.023 0.108 -0.255) 3.036 2.671 ( -1.642 0.860 -1.219) 2.219 2.678 ( -0.563 2.204 -1.116) 2.534 2.725 ( -1.824 0.119 2.884) 3.414 2.753 ( 0.787 1.648 1.652) 2.463 2.813 ( 1.291 2.712 2.947) 4.208 2.845 ( 0.285 -2.008 -0.867) 2.206 2.884 ( -0.813 2.216 1.107) 2.607 2.897 ( -0.226 0.124 2.775) 2.787 2.940 ( -1.187 2.845 1.656) 3.499 2.981 ( 0.846 2.998 -4.056) 5.114 3.055 ( 1.857 2.705 -0.438) 3.310 3.085 ( -2.843 3.618 3.128) 5.564 3.147 ( 0.678 -2.346 0.137) 2.446 3.239 ( 2.108 -1.663 -3.352) 4.294 3.265 ( -0.845 -1.137 -0.118) 1.421 3.299 ( -2.101 -1.366 -0.128) 2.509 3.328 ( 0.509 0.129 -2.685) 2.735 3.369 ( -2.473 0.542 -0.119) 2.534 3.408 ( -0.504 -4.772 -0.250) 4.805 3.464 ( 2.087 0.331 -1.298) 2.480 3.533 ( -2.262 -1.309 0.310) 2.631 3.552 ( -4.038 -2.628 1.544) 5.059 3.639 ( -2.203 0.834 -4.064) 4.698 3.674 ( -0.935 -2.438 0.855) 2.748 3.708 ( -0.123 -2.945 -0.531) 2.995 3.750 ( -1.704 -3.649 0.353) 4.042 3.774 ( -0.930 -0.807 2.369) 2.670 3.809 ( -1.418 0.604 1.466) 2.127 3.833 ( -0.735 -5.354 -1.318) 5.562 3.868 ( -1.271 0.622 3.140) 3.444 3.917 ( 0.593 -1.235 -3.289) 3.563 3.969 ( 0.066 -0.842 -0.476) 0.970 4.003 ( 3.048 -3.327 1.559) 4.774 4.056 ( 2.566 -1.748 -1.191) 3.325 4.092 ( -2.798 0.577 0.442) 2.891 4.205 ( 1.518 -1.625 -1.139) 2.499 4.237 ( -2.413 -1.551 0.966) 3.027 4.300 ( 0.649 -1.133 1.580) 2.050 4.342 ( -1.097 -3.173 -1.080) 3.527 4.385 ( -0.507 -2.045 2.705) 3.428 4.389 ( -0.789 0.094 -2.049) 2.198 4.430 ( -2.197 2.758 0.919) 3.644 4.486 ( -0.938 0.187 -2.271) 2.464 4.517 ( -1.513 -0.017 -0.842) 1.732 4.522 ( 0.947 -1.561 2.826) 3.365 4.558 ( -1.964 -1.571 -1.248) 2.808 4.629 ( 0.038 1.332 -2.762) 3.066 4.692 ( 0.313 -3.140 -0.060) 3.156 4.710 ( -0.938 -0.578 1.263) 1.676 4.791 ( -1.772 2.760 0.710) 3.356 4.802 ( 2.808 -1.377 -3.833) 4.947 4.886 ( 0.571 -0.708 2.229) 2.407 5.042 ( 0.034 0.362 1.980) 2.013 5.082 ( 0.919 -0.283 -1.216) 1.550 5.111 ( -0.885 -0.355 1.957) 2.177 5.222 ( 0.835 -4.143 -0.585) 4.267 5.325 ( 0.564 0.467 1.157) 1.370 5.340 ( -0.375 1.202 0.500) 1.355 5.364 ( 1.107 0.665 -0.899) 1.574 5.374 ( -0.126 2.204 0.618) 2.292 5.484 ( -3.678 0.889 3.584) 5.212 5.533 ( -1.486 -1.830 -0.140) 2.361 5.590 ( -3.065 0.297 -1.597) 3.469 5.642 ( -0.264 -0.227 -0.578) 0.675 5.702 ( 4.496 1.031 -4.485) 6.434 5.774 ( 5.063 -0.107 -1.144) 5.192 5.834 ( 1.048 -1.480 -0.284) 1.835 5.972 ( 0.387 0.685 0.321) 0.849 6.041 ( -3.214 0.923 1.998) 3.895 6.047 ( -2.684 -0.653 0.384) 2.788 6.148 ( -0.385 0.059 0.748) 0.843 6.199 ( -0.118 -0.907 0.142) 0.926 6.267 ( 0.369 -2.843 1.290) 3.144 6.321 ( -2.041 0.844 -1.143) 2.487 6.387 ( -0.398 0.063 2.082) 2.121 6.393 ( 3.119 -5.766 -0.701) 6.593 6.507 ( 0.282 3.268 1.105) 3.461 6.544 ( 0.315 2.442 -0.692) 2.558 6.641 ( -1.001 -0.594 -1.189) 1.663 6.682 ( 0.967 -1.471 2.216) 2.830 6.720 ( -4.020 -0.073 -0.688) 4.079 6.832 ( -3.339 -2.287 -3.430) 5.305 6.923 ( 2.867 -3.397 -1.523) 4.699 6.974 ( 0.857 -1.829 1.469) 2.497 7.238 ( 0.186 0.811 0.958) 1.269 7.245 ( 0.586 0.460 -0.779) 1.078 7.326 ( 0.747 6.531 1.731) 6.798 7.347 ( 2.151 6.719 -2.139) 7.372 7.494 ( -1.045 3.964 -3.054) 5.112 7.523 ( -0.555 4.848 2.728) 5.590 7.653 ( -1.489 1.034 1.047) 2.093 7.718 ( -0.239 0.964 0.701) 1.216 7.803 ( -0.952 -3.229 -0.347) 3.385 7.835 ( 0.016 -1.656 -1.131) 2.005 7.869 ( 0.880 -1.331 -1.492) 2.185 7.911 ( 0.420 2.046 2.837) 3.523 8.033 ( -4.764 -4.071 0.463) 6.283 8.150 ( -2.841 -3.738 -1.127) 4.828 8.303 ( -0.547 2.712 -0.177) 2.772 8.313 ( -0.605 2.841 -1.703) 3.367 8.623 ( -2.080 0.116 1.675) 2.673 8.631 ( -1.540 0.269 -2.470) 2.923 8.749 ( 2.389 -0.148 -1.307) 2.727 8.842 ( 1.832 -2.796 4.809) 5.857 9.319 ( -0.145 -1.344 -1.234) 1.830 9.361 ( 0.366 -3.369 0.419) 3.415 9.388 ( 0.078 -1.904 -0.047) 1.907 9.403 ( 0.347 -1.684 -0.425) 1.771 9.540 ( -0.665 2.845 0.372) 2.945 9.592 ( 0.660 3.365 -0.421) 3.455 9.683 ( 0.440 0.882 0.478) 1.096 9.707 ( -0.167 1.394 0.155) 1.413 9.727 ( -0.656 1.418 0.405) 1.614 9.743 ( -0.210 2.498 -0.586) 2.575 9.767 ( -1.244 -0.889 -0.679) 1.673 9.850 ( 0.316 0.853 -0.986) 1.342 9.861 ( -0.743 2.862 0.450) 2.991 9.879 ( -0.642 2.338 0.224) 2.435 9.926 ( -1.897 2.298 2.257) 3.739 9.960 ( -0.141 2.766 0.552) 2.824 10.047 ( -0.443 -0.420 -1.128) 1.283 10.073 ( -0.583 -0.558 0.852) 1.174 10.107 ( 0.170 0.275 -0.107) 0.341 10.142 ( -0.863 -0.543 0.314) 1.067 10.163 ( 0.321 0.491 0.363) 0.690 10.175 ( -1.010 -0.520 1.552) 1.923 10.179 ( 0.574 -0.492 -0.353) 0.834 10.199 ( 0.744 -0.915 -1.307) 1.761 10.287 ( -0.153 1.893 0.958) 2.127 10.329 ( 1.615 1.785 -1.140) 2.663 10.365 ( -1.561 -1.222 0.483) 2.041 10.475 ( -1.862 -2.290 0.235) 2.961 10.651 ( 1.378 -0.451 -2.737) 3.097 10.666 ( 1.719 -0.297 1.370) 2.218 10.712 ( -0.285 -1.711 -0.917) 1.962 10.768 ( 0.143 -2.313 1.222) 2.620 10.879 ( -0.880 -0.315 4.407) 4.505 10.916 ( -2.185 -0.426 -1.264) 2.560 11.010 ( -3.757 1.031 0.190) 3.901 11.049 ( -8.144 1.040 -0.165) 8.211 11.077 ( 2.315 -1.433 0.002) 2.722 11.149 ( -0.941 -0.937 -2.253) 2.616 11.176 ( 0.025 0.629 1.017) 1.195 11.238 ( -0.218 -0.929 0.567) 1.110 11.289 ( -1.201 0.307 -1.904) 2.272 11.313 ( -0.818 1.031 0.569) 1.433 11.431 ( 4.162 -2.023 0.674) 4.676 11.527 ( 1.777 -4.999 -2.826) 6.011 ======================= Grid point 59 (30/33) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 11.340 5.344 -8.084) 14.916 1.148 ( 8.140 6.089 6.055) 11.832 1.206 ( 3.021 2.078 4.313) 5.661 1.338 ( -12.444 1.625 5.260) 13.608 1.348 ( 9.886 5.552 -3.931) 12.001 1.479 ( -0.699 -3.170 2.386) 4.028 1.530 ( -0.381 -0.512 2.847) 2.918 1.576 ( -2.708 -3.246 -2.973) 5.168 1.642 ( -5.997 2.189 1.173) 6.491 1.700 ( -6.799 1.891 -7.715) 10.455 1.801 ( 3.864 -5.095 1.520) 6.572 1.823 ( 1.807 -3.207 -3.286) 4.935 1.863 ( -0.327 -2.244 1.360) 2.645 1.887 ( -1.446 -3.786 -1.904) 4.477 1.925 ( 2.491 0.651 2.880) 3.863 1.996 ( -2.915 3.077 -2.003) 4.688 2.074 ( 2.955 -2.085 -0.608) 3.667 2.136 ( 1.148 1.766 1.260) 2.455 2.158 ( 2.592 -4.133 2.950) 5.701 2.174 ( 2.744 -0.951 -0.765) 3.003 2.229 ( -2.064 1.974 1.000) 3.026 2.275 ( -2.060 -2.611 -3.098) 4.545 2.311 ( 4.072 -2.368 -1.856) 5.063 2.347 ( 0.440 -1.447 -0.226) 1.529 2.368 ( 2.081 -1.319 -1.084) 2.691 2.407 ( -1.601 0.968 0.430) 1.920 2.463 ( -0.568 1.327 0.378) 1.492 2.502 ( -1.914 -0.163 0.144) 1.927 2.511 ( 6.069 4.771 0.768) 7.758 2.566 ( 3.443 4.192 -3.805) 6.626 2.589 ( 2.955 2.809 -0.728) 4.142 2.631 ( 0.653 1.197 3.560) 3.812 2.648 ( -0.605 -0.071 2.480) 2.553 2.658 ( -1.451 2.041 -0.772) 2.621 2.699 ( -1.767 4.548 3.067) 5.763 2.742 ( -3.891 4.487 -2.429) 6.417 2.789 ( 0.222 -0.981 0.703) 1.228 2.855 ( -0.340 3.091 1.067) 3.287 2.868 ( -1.660 -1.915 2.955) 3.893 2.879 ( -0.505 -1.275 0.392) 1.426 2.945 ( 1.232 0.803 -4.133) 4.387 2.985 ( -3.375 0.608 2.351) 4.158 3.045 ( 2.253 4.347 1.471) 5.113 3.097 ( 0.301 2.099 0.418) 2.161 3.177 ( 2.106 -1.155 -0.062) 2.403 3.231 ( -2.644 -0.380 0.168) 2.676 3.249 ( -0.319 0.843 -0.119) 0.909 3.263 ( -1.330 1.316 -1.345) 2.304 3.341 ( 1.920 1.295 -0.255) 2.330 3.345 ( 1.092 -0.535 -2.472) 2.755 3.383 ( -1.864 -1.218 1.155) 2.508 3.415 ( -5.243 -1.346 -2.293) 5.879 3.517 ( 2.559 -2.621 -0.929) 3.779 3.538 ( 0.345 -1.404 3.325) 3.626 3.594 ( -1.402 -0.995 -2.441) 2.986 3.625 ( -4.153 -3.966 0.106) 5.743 3.716 ( 0.896 1.557 2.122) 2.780 3.739 ( -0.758 -0.039 0.418) 0.867 3.770 ( 0.057 -0.674 -0.676) 0.956 3.792 ( -2.770 0.041 1.521) 3.161 3.804 ( 2.634 -5.603 0.943) 6.263 3.864 ( -1.209 -8.937 -1.238) 9.103 3.923 ( 1.522 1.030 -3.738) 4.165 3.956 ( -1.560 0.853 0.937) 2.010 4.044 ( 0.236 2.009 4.839) 5.245 4.078 ( 3.299 -4.379 3.027) 6.263 4.084 ( -0.807 -0.076 -5.188) 5.251 4.159 ( -3.610 -2.541 -3.526) 5.650 4.257 ( 2.516 -0.269 1.322) 2.855 4.307 ( -1.826 -1.598 0.234) 2.437 4.323 ( -0.776 -3.624 2.497) 4.468 4.340 ( -1.895 -1.985 -3.591) 4.519 4.370 ( 0.668 -2.292 3.261) 4.041 4.406 ( -1.308 -2.749 -0.269) 3.056 4.476 ( 0.836 1.579 -0.493) 1.854 4.498 ( -1.375 0.482 -1.470) 2.070 4.530 ( 1.239 1.687 1.731) 2.716 4.563 ( -0.469 -0.443 -1.999) 2.101 4.637 ( 2.501 1.103 -0.669) 2.814 4.687 ( -1.872 -0.951 0.364) 2.131 4.707 ( 1.555 0.471 -1.520) 2.225 4.750 ( -2.833 2.726 1.911) 4.371 4.835 ( 1.919 -2.311 -2.913) 4.184 4.869 ( -2.182 -1.711 2.113) 3.486 5.073 ( 1.644 0.106 2.336) 2.858 5.090 ( 0.437 -0.226 -1.816) 1.881 5.136 ( 2.142 -0.218 1.043) 2.392 5.196 ( -3.124 -1.739 -0.155) 3.579 5.335 ( 0.776 2.155 0.279) 2.307 5.350 ( 0.575 1.513 -0.588) 1.722 5.363 ( -0.504 2.261 1.427) 2.721 5.376 ( -0.273 0.388 -0.826) 0.952 5.440 ( -0.493 -1.090 2.438) 2.715 5.477 ( -2.928 -1.355 -1.077) 3.401 5.583 ( 1.509 -2.045 -0.896) 2.695 5.616 ( -1.658 -1.620 -0.759) 2.439 5.784 ( 4.433 0.861 -3.042) 5.445 5.836 ( -0.210 -1.400 0.929) 1.693 5.909 ( 5.066 -2.965 -0.965) 5.949 5.946 ( -0.395 1.333 2.028) 2.459 5.993 ( -2.207 0.201 -0.663) 2.313 6.005 ( -2.387 -1.793 0.730) 3.073 6.153 ( 0.729 1.847 1.430) 2.447 6.193 ( -1.543 1.992 -0.904) 2.677 6.251 ( -0.785 -0.057 -1.109) 1.360 6.270 ( -2.035 0.267 1.138) 2.347 6.399 ( 1.155 -2.697 2.141) 3.632 6.422 ( 0.138 -5.340 -1.869) 5.659 6.530 ( 1.229 1.936 -0.814) 2.434 6.547 ( -0.303 -0.176 1.987) 2.018 6.627 ( 0.574 1.984 -0.918) 2.260 6.660 ( -2.425 1.343 0.739) 2.869 6.714 ( 1.594 -1.191 1.789) 2.676 6.760 ( -2.586 -1.364 -3.038) 4.217 6.962 ( 1.303 -3.704 -0.137) 3.929 6.979 ( -0.400 -3.021 -0.265) 3.059 7.246 ( 0.212 0.329 0.973) 1.049 7.250 ( 0.126 0.151 -0.849) 0.872 7.362 ( 2.098 8.180 1.685) 8.611 7.386 ( 1.543 10.166 -2.786) 10.653 7.467 ( -0.266 1.161 -0.201) 1.208 7.502 ( -2.405 3.991 1.380) 4.859 7.637 ( -0.164 -0.651 0.659) 0.941 7.667 ( -3.231 -2.424 0.102) 4.040 7.811 ( 1.178 -0.229 -0.549) 1.320 7.829 ( -0.519 -0.451 -0.708) 0.986 7.887 ( 1.364 -0.622 -0.972) 1.787 7.909 ( -0.917 1.422 1.399) 2.195 8.002 ( 0.992 -2.152 0.433) 2.409 8.060 ( -4.656 -1.977 -0.315) 5.068 8.294 ( -0.229 2.264 0.020) 2.275 8.297 ( -0.422 2.280 -0.648) 2.408 8.600 ( -0.493 -0.060 0.529) 0.726 8.605 ( -0.712 0.065 -0.954) 1.192 8.805 ( 3.307 -1.314 -2.328) 4.253 8.851 ( -1.935 -2.633 3.867) 5.063 9.328 ( 1.087 -1.830 -0.244) 2.142 9.351 ( -1.048 -2.805 -0.463) 3.030 9.397 ( 0.314 -1.961 1.468) 2.470 9.404 ( 0.018 -1.624 -1.387) 2.136 9.545 ( 1.205 3.172 -0.202) 3.399 9.578 ( -1.784 3.770 0.100) 4.172 9.697 ( 0.307 0.449 1.260) 1.373 9.699 ( 0.333 0.605 -0.480) 0.841 9.731 ( 0.560 0.619 0.067) 0.837 9.738 ( -0.186 1.117 -0.443) 1.216 9.764 ( 1.125 2.687 -0.604) 2.975 9.819 ( -4.084 2.132 1.320) 4.792 9.844 ( -0.246 4.342 0.765) 4.415 9.852 ( -0.608 4.161 -2.113) 4.706 9.929 ( 0.938 1.099 1.563) 2.128 9.950 ( -0.874 1.384 -0.144) 1.643 10.053 ( 1.152 -1.604 -0.427) 2.020 10.073 ( -0.367 -2.483 0.312) 2.529 10.105 ( 0.077 -0.312 0.994) 1.045 10.122 ( -0.939 -1.619 -0.965) 2.106 10.167 ( -0.455 -1.334 2.867) 3.195 10.169 ( 0.347 -0.782 -2.981) 3.102 10.185 ( 0.450 -0.403 2.023) 2.111 10.202 ( -0.302 -0.690 -1.984) 2.123 10.306 ( 1.368 2.351 2.865) 3.951 10.336 ( -0.381 0.790 -2.272) 2.435 10.374 ( 1.266 0.174 0.281) 1.308 10.412 ( -2.890 0.079 -1.174) 3.121 10.674 ( 1.630 -0.327 -2.182) 2.743 10.689 ( -0.113 -0.268 1.671) 1.696 10.737 ( 2.400 -1.037 1.738) 3.140 10.793 ( 0.973 -1.707 -1.194) 2.299 10.841 ( -2.538 2.325 -1.346) 3.696 10.886 ( 0.171 -0.916 3.207) 3.339 10.902 ( -4.486 0.219 -1.180) 4.644 10.927 ( -4.304 -0.119 -0.232) 4.312 11.114 ( 1.182 -1.503 0.269) 1.931 11.132 ( -0.673 -1.566 -0.973) 1.962 11.190 ( 1.190 0.233 1.061) 1.611 11.219 ( -1.066 -0.271 -1.645) 1.979 11.295 ( 0.672 1.110 0.702) 1.475 11.307 ( -0.376 1.355 0.018) 1.406 11.490 ( 1.511 -3.161 1.441) 3.788 11.517 ( -1.096 -3.884 -1.594) 4.339 ======================= Grid point 62 (31/33) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 2.368 10.822 -13.242) 17.265 1.044 ( -2.368 10.822 13.242) 17.265 1.237 ( 3.144 4.984 -9.879) 11.503 1.237 ( -3.144 4.984 9.879) 11.503 1.373 ( 2.042 -7.472 -5.861) 9.713 1.373 ( -2.042 -7.472 5.861) 9.713 1.500 ( 1.197 -10.646 -7.822) 13.265 1.500 ( -1.197 -10.646 7.822) 13.265 1.594 ( -0.432 0.248 -1.328) 1.418 1.594 ( 0.432 0.248 1.328) 1.418 1.730 ( -4.873 -2.183 -2.509) 5.900 1.730 ( 4.873 -2.183 2.509) 5.900 1.955 ( -0.814 0.123 -2.103) 2.258 1.955 ( 0.814 0.123 2.103) 2.258 2.036 ( -2.549 -0.912 -2.669) 3.802 2.036 ( 2.549 -0.912 2.669) 3.802 2.055 ( -0.967 -0.020 -3.124) 3.270 2.055 ( 0.967 -0.020 3.124) 3.270 2.218 ( 2.144 6.389 -3.715) 7.695 2.218 ( -2.144 6.389 3.715) 7.695 2.259 ( -1.204 0.994 -2.879) 3.275 2.259 ( 1.204 0.994 2.879) 3.275 2.317 ( -2.332 2.421 -1.977) 3.899 2.317 ( 2.332 2.421 1.977) 3.899 2.379 ( -2.075 -1.072 -1.972) 3.056 2.379 ( 2.075 -1.072 1.972) 3.056 2.449 ( -1.547 -0.163 -0.181) 1.566 2.449 ( 1.547 -0.163 0.181) 1.566 2.593 ( -0.523 9.382 -2.814) 9.808 2.593 ( 0.523 9.382 2.814) 9.808 2.675 ( -0.977 -0.142 -0.546) 1.128 2.675 ( 0.977 -0.142 0.546) 1.128 2.719 ( -1.185 1.791 -4.342) 4.844 2.719 ( 1.185 1.791 4.342) 4.844 2.790 ( -2.389 0.793 -2.044) 3.243 2.790 ( 2.389 0.793 2.044) 3.243 2.807 ( 1.002 5.966 -4.628) 7.617 2.807 ( -1.002 5.966 4.628) 7.617 2.938 ( 1.797 0.744 -1.709) 2.589 2.938 ( -1.797 0.744 1.709) 2.589 3.019 ( -0.048 0.357 -1.351) 1.398 3.019 ( 0.048 0.357 1.351) 1.398 3.110 ( -3.235 -1.565 -1.787) 4.014 3.110 ( 3.235 -1.565 1.787) 4.014 3.149 ( 0.881 -0.907 -1.708) 2.125 3.149 ( -0.881 -0.907 1.708) 2.125 3.236 ( 0.398 -5.292 -4.062) 6.682 3.236 ( -0.398 -5.292 4.062) 6.682 3.277 ( 0.256 -1.558 -2.728) 3.152 3.277 ( -0.256 -1.558 2.728) 3.152 3.410 ( 1.766 -5.725 -1.792) 6.253 3.410 ( -1.766 -5.725 1.792) 6.253 3.490 ( 0.581 -0.933 -2.177) 2.439 3.490 ( -0.581 -0.933 2.177) 2.439 3.602 ( 0.813 -2.912 -2.050) 3.653 3.602 ( -0.813 -2.912 2.050) 3.653 3.681 ( -1.087 -1.493 -1.832) 2.601 3.681 ( 1.087 -1.493 1.832) 2.601 3.792 ( -0.074 -0.496 -2.510) 2.560 3.792 ( 0.074 -0.496 2.510) 2.560 3.888 ( -0.434 2.585 -3.330) 4.238 3.888 ( 0.434 2.585 3.330) 4.238 3.935 ( 1.962 1.608 -4.055) 4.783 3.935 ( -1.962 1.608 4.055) 4.783 3.987 ( -0.152 -2.270 -1.990) 3.022 3.987 ( 0.152 -2.270 1.990) 3.022 4.162 ( 1.366 2.070 -1.863) 3.102 4.162 ( -1.366 2.070 1.863) 3.102 4.256 ( -1.338 -2.474 -2.860) 4.011 4.256 ( 1.338 -2.474 2.860) 4.011 4.313 ( -0.455 -1.583 -1.691) 2.361 4.313 ( 0.455 -1.583 1.691) 2.361 4.443 ( -0.898 1.335 0.164) 1.617 4.443 ( 0.898 1.335 -0.164) 1.617 4.483 ( 0.208 -1.800 -1.418) 2.301 4.483 ( -0.208 -1.800 1.418) 2.301 4.569 ( -1.633 0.666 -1.621) 2.395 4.569 ( 1.633 0.666 1.621) 2.395 4.613 ( -1.902 -2.125 -0.590) 2.912 4.613 ( 1.902 -2.125 0.590) 2.912 4.748 ( 1.309 0.164 -1.448) 1.959 4.748 ( -1.309 0.164 1.448) 1.959 4.844 ( -0.813 0.214 -0.740) 1.120 4.844 ( 0.813 0.214 0.740) 1.120 5.070 ( 0.190 0.856 -1.122) 1.424 5.070 ( -0.190 0.856 1.122) 1.424 5.127 ( 1.725 -1.612 -1.531) 2.814 5.127 ( -1.725 -1.612 1.531) 2.814 5.341 ( 0.815 1.456 -1.277) 2.102 5.341 ( -0.815 1.456 1.277) 2.102 5.371 ( 0.895 -1.004 -2.052) 2.454 5.371 ( -0.895 -1.004 2.052) 2.454 5.547 ( 1.471 1.074 -1.926) 2.651 5.547 ( -1.471 1.074 1.926) 2.651 5.612 ( 1.658 -1.881 -2.366) 3.447 5.612 ( -1.658 -1.881 2.366) 3.447 5.740 ( -2.495 2.896 -1.168) 3.997 5.740 ( 2.495 2.896 1.168) 3.997 5.869 ( -3.711 -1.944 -1.122) 4.337 5.869 ( 3.711 -1.944 1.122) 4.337 6.115 ( -1.821 1.873 -1.978) 3.276 6.115 ( 1.821 1.873 1.978) 3.276 6.147 ( -2.409 -1.337 -1.406) 3.093 6.147 ( 2.409 -1.337 1.406) 3.093 6.215 ( 1.201 -1.923 -1.505) 2.721 6.215 ( -1.201 -1.923 1.505) 2.721 6.392 ( -0.393 0.204 -0.975) 1.071 6.392 ( 0.393 0.204 0.975) 1.071 6.593 ( -0.609 2.928 0.037) 2.991 6.593 ( 0.609 2.928 -0.037) 2.991 6.634 ( -0.164 -1.560 -0.989) 1.854 6.634 ( 0.164 -1.560 0.989) 1.854 6.777 ( -1.374 -0.876 -0.576) 1.728 6.777 ( 1.374 -0.876 0.576) 1.728 6.919 ( -1.060 -0.412 -1.709) 2.052 6.919 ( 1.060 -0.412 1.709) 2.052 7.244 ( 0.213 0.081 -0.866) 0.895 7.244 ( -0.213 0.081 0.866) 0.895 7.440 ( 0.892 5.052 -1.773) 5.428 7.440 ( -0.892 5.052 1.773) 5.428 7.587 ( 0.484 2.678 -2.843) 3.936 7.587 ( -0.484 2.678 2.843) 3.936 7.698 ( 1.258 -3.327 -2.131) 4.147 7.698 ( -1.258 -3.327 2.131) 4.147 7.765 ( -0.669 -0.454 -1.620) 1.811 7.765 ( 0.669 -0.454 1.620) 1.811 7.916 ( -2.041 2.564 -1.928) 3.802 7.916 ( 2.041 2.564 1.928) 3.802 8.033 ( -1.576 -4.744 -0.509) 5.025 8.033 ( 1.576 -4.744 0.509) 5.025 8.360 ( 0.309 1.371 -0.461) 1.479 8.360 ( -0.309 1.371 0.461) 1.479 8.651 ( 0.416 -0.076 -1.014) 1.099 8.651 ( -0.416 -0.076 1.014) 1.099 8.757 ( -1.221 -0.252 -0.975) 1.583 8.757 ( 1.221 -0.252 0.975) 1.583 9.311 ( -0.293 -0.596 -0.974) 1.179 9.311 ( 0.293 -0.596 0.974) 1.179 9.357 ( -0.110 -1.367 -1.002) 1.698 9.357 ( 0.110 -1.367 1.002) 1.698 9.621 ( 0.112 2.381 -0.311) 2.403 9.621 ( -0.112 2.381 0.311) 2.403 9.687 ( 1.084 -1.199 -1.034) 1.919 9.687 ( -1.084 -1.199 1.034) 1.919 9.759 ( 0.005 0.790 -0.195) 0.814 9.759 ( -0.005 0.790 0.195) 0.814 9.821 ( -0.149 0.151 -1.055) 1.076 9.821 ( 0.149 0.151 1.055) 1.076 9.914 ( -0.254 1.176 -0.887) 1.494 9.914 ( 0.254 1.176 0.887) 1.494 10.010 ( -0.170 3.467 -1.638) 3.838 10.010 ( 0.170 3.467 1.638) 3.838 10.094 ( 0.568 -0.222 -1.312) 1.446 10.094 ( -0.568 -0.222 1.312) 1.446 10.115 ( -0.227 -1.078 -0.584) 1.247 10.115 ( 0.227 -1.078 0.584) 1.247 10.154 ( -0.453 -0.020 -1.251) 1.330 10.154 ( 0.453 -0.020 1.251) 1.330 10.201 ( 0.236 0.305 -0.750) 0.843 10.201 ( -0.236 0.305 0.750) 0.843 10.309 ( -0.225 0.115 -0.748) 0.790 10.309 ( 0.225 0.115 0.748) 0.790 10.418 ( -1.343 -0.182 -1.177) 1.795 10.418 ( 1.343 -0.182 1.177) 1.795 10.637 ( 0.196 -0.080 -1.199) 1.218 10.637 ( -0.196 -0.080 1.199) 1.218 10.709 ( -0.573 -1.327 -1.485) 2.072 10.709 ( 0.573 -1.327 1.485) 2.072 10.892 ( -1.043 -0.733 -0.330) 1.316 10.892 ( 1.043 -0.733 0.330) 1.316 11.041 ( 0.146 0.027 -0.861) 0.874 11.041 ( -0.146 0.027 0.861) 0.874 11.168 ( 1.115 0.242 -1.423) 1.824 11.168 ( -1.115 0.242 1.423) 1.824 11.196 ( -0.899 0.176 -0.366) 0.986 11.196 ( 0.899 0.176 0.366) 0.986 11.331 ( 1.216 -0.656 -2.833) 3.152 11.331 ( -1.216 -0.656 2.833) 3.152 11.371 ( -2.332 -1.816 -2.191) 3.679 11.371 ( 2.332 -1.816 2.191) 3.679 ======================= Grid point 64 (32/33) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 5.577 9.851 5.650) 12.652 1.144 ( 7.657 10.559 0.534) 13.054 1.233 ( 0.764 6.818 7.941) 10.494 1.304 ( 1.555 -2.319 -0.283) 2.807 1.331 ( 3.701 -1.316 -0.561) 3.967 1.448 ( 2.172 -7.991 -5.268) 9.815 1.481 ( -1.442 -9.427 1.845) 9.714 1.529 ( 1.135 -7.541 2.546) 8.040 1.584 ( 2.685 -1.926 -4.243) 5.377 1.603 ( -0.902 -1.689 -0.551) 1.993 1.701 ( 1.582 2.597 3.537) 4.665 1.823 ( 1.647 -7.208 6.885) 10.103 1.875 ( -5.497 1.297 -1.482) 5.839 1.904 ( -5.546 -0.864 -2.745) 6.248 1.979 ( -0.880 1.904 -3.207) 3.832 2.032 ( 0.648 -2.456 -2.905) 3.859 2.059 ( -2.551 2.052 -1.274) 3.514 2.085 ( -0.664 -0.419 0.470) 0.915 2.188 ( 1.499 5.575 2.010) 6.113 2.209 ( -0.925 1.826 -2.495) 3.228 2.246 ( 0.086 -0.758 -2.149) 2.280 2.261 ( -0.787 -0.451 0.685) 1.137 2.296 ( 0.857 1.868 -0.196) 2.065 2.341 ( -0.593 -1.486 -1.414) 2.135 2.413 ( 2.863 4.821 -1.166) 5.728 2.422 ( 2.589 2.524 1.984) 4.124 2.477 ( 3.435 2.815 0.805) 4.513 2.512 ( 3.480 -0.170 -1.602) 3.835 2.563 ( -2.005 1.874 -1.215) 3.001 2.595 ( -2.739 5.884 -2.520) 6.962 2.607 ( -1.832 4.408 0.324) 4.784 2.640 ( -2.016 1.289 2.395) 3.386 2.672 ( -1.616 -0.523 -1.036) 1.990 2.714 ( -3.216 -0.579 -0.714) 3.345 2.762 ( -1.524 4.447 4.810) 6.726 2.812 ( 2.691 1.060 2.443) 3.786 2.825 ( 1.355 5.686 -4.655) 7.472 2.852 ( 0.814 2.170 0.704) 2.422 2.909 ( -1.279 0.571 3.054) 3.360 2.972 ( 0.795 2.881 -1.875) 3.528 3.005 ( -1.693 2.339 -2.082) 3.560 3.025 ( 1.087 1.131 -0.656) 1.700 3.066 ( 0.699 -2.066 -1.801) 2.829 3.121 ( -0.433 -1.055 0.057) 1.142 3.166 ( 0.184 -9.732 -1.052) 9.790 3.180 ( 1.378 4.277 1.591) 4.767 3.196 ( -2.873 -0.983 2.659) 4.036 3.225 ( 1.232 -3.703 1.435) 4.158 3.300 ( 2.491 -2.080 -1.117) 3.432 3.309 ( 1.753 -3.926 -1.404) 4.523 3.389 ( -0.924 -3.950 0.333) 4.070 3.430 ( -2.393 -5.954 1.306) 6.548 3.455 ( -0.387 0.047 -0.991) 1.065 3.484 ( -0.429 -1.115 -2.052) 2.374 3.597 ( -0.267 -1.580 0.248) 1.622 3.616 ( 0.024 -3.139 -2.320) 3.903 3.670 ( 0.306 0.456 0.443) 0.706 3.710 ( 0.863 -2.929 2.269) 3.805 3.754 ( -2.440 0.653 0.510) 2.577 3.770 ( -2.700 -0.834 0.898) 2.965 3.839 ( -2.342 2.627 -0.724) 3.593 3.890 ( -4.846 -1.268 2.775) 5.726 3.918 ( 1.151 1.690 -0.042) 2.045 3.951 ( 0.731 -0.025 1.924) 2.059 3.987 ( 1.957 0.770 -2.213) 3.053 4.019 ( 1.649 -1.493 -0.971) 2.427 4.134 ( -1.426 -0.336 2.067) 2.534 4.158 ( -1.367 -1.823 -2.225) 3.185 4.201 ( -2.216 2.032 -0.494) 3.047 4.280 ( -0.532 -2.761 1.778) 3.327 4.299 ( -0.411 -0.388 -0.004) 0.565 4.329 ( 0.438 -3.255 2.438) 4.091 4.412 ( -2.669 2.161 -0.350) 3.452 4.443 ( -2.871 -0.613 0.126) 2.938 4.468 ( 0.104 -1.814 0.623) 1.921 4.479 ( 0.426 -1.485 -1.179) 1.944 4.538 ( -0.644 1.631 0.231) 1.769 4.566 ( -1.428 -0.382 -2.077) 2.549 4.621 ( 2.631 0.743 0.646) 2.809 4.662 ( 2.501 -1.585 -0.689) 3.040 4.716 ( -0.840 1.803 -0.793) 2.141 4.761 ( 0.594 -2.408 -3.083) 3.957 4.840 ( -0.451 1.886 1.175) 2.267 4.868 ( -0.059 -1.190 1.373) 1.818 5.055 ( -0.298 0.944 1.318) 1.649 5.073 ( -0.179 -0.759 0.244) 0.818 5.117 ( 0.671 1.098 0.819) 1.525 5.153 ( 1.071 -2.726 -0.814) 3.040 5.341 ( 0.934 1.244 2.096) 2.610 5.357 ( 0.081 0.382 1.613) 1.660 5.374 ( 1.476 0.524 -0.275) 1.590 5.396 ( 0.940 -0.655 -1.341) 1.764 5.497 ( -3.772 0.850 3.987) 5.554 5.512 ( -3.332 -0.500 2.561) 4.232 5.600 ( -2.710 0.719 -1.914) 3.395 5.623 ( -0.747 -1.303 -2.944) 3.305 5.721 ( 3.120 1.193 -4.016) 5.224 5.757 ( 1.221 -2.301 -1.904) 3.226 5.844 ( 1.446 3.565 0.020) 3.847 5.928 ( 1.207 -4.406 0.249) 4.575 6.053 ( -3.585 1.315 -0.013) 3.819 6.070 ( -4.122 0.532 1.152) 4.313 6.172 ( 2.799 1.664 0.800) 3.353 6.187 ( 1.987 0.165 1.105) 2.280 6.225 ( 1.103 -1.126 0.633) 1.698 6.264 ( 2.142 -4.471 1.051) 5.068 6.353 ( -2.999 1.158 -1.985) 3.778 6.377 ( -1.676 -1.165 -0.923) 2.240 6.569 ( -0.803 2.711 0.556) 2.881 6.596 ( -0.848 1.453 -0.458) 1.744 6.631 ( 0.815 0.038 -0.300) 0.870 6.659 ( 1.069 -1.300 -0.493) 1.753 6.740 ( -1.519 1.659 -0.479) 2.300 6.780 ( -1.129 -2.587 -0.093) 2.824 6.904 ( 0.231 0.949 -0.946) 1.359 6.938 ( 0.122 -2.051 1.044) 2.305 7.246 ( 0.091 0.170 0.794) 0.817 7.249 ( 0.441 -0.042 -0.800) 0.914 7.435 ( -0.031 4.672 1.917) 5.050 7.459 ( 1.369 3.374 -1.141) 3.816 7.576 ( -0.422 3.732 -1.608) 4.086 7.592 ( 0.374 2.480 -1.675) 3.016 7.670 ( -1.834 -0.888 2.743) 3.417 7.704 ( -3.316 -2.470 -0.353) 4.149 7.746 ( 2.150 -1.350 -1.720) 3.066 7.776 ( 0.099 -2.576 -0.681) 2.666 7.886 ( -0.268 2.741 0.344) 2.775 7.951 ( -0.347 -2.405 2.562) 3.531 7.974 ( -1.438 2.446 0.553) 2.891 8.060 ( -0.814 -5.178 0.003) 5.241 8.348 ( -0.809 1.573 -0.571) 1.858 8.353 ( -0.745 1.057 -1.207) 1.769 8.627 ( -1.730 0.269 -0.028) 1.751 8.632 ( -1.470 -0.152 -1.807) 2.334 8.756 ( 1.133 0.978 0.568) 1.601 8.789 ( 1.012 -2.414 2.501) 3.620 9.302 ( -0.227 -0.228 -0.841) 0.900 9.314 ( -0.244 -1.513 0.237) 1.551 9.359 ( 0.536 -0.636 -0.116) 0.840 9.369 ( 0.549 -1.504 0.353) 1.640 9.600 ( -0.726 2.833 0.762) 3.022 9.628 ( -0.392 0.271 0.250) 0.538 9.696 ( 1.051 0.460 1.321) 1.750 9.713 ( 0.652 -0.918 0.746) 1.351 9.743 ( -0.092 0.908 -0.284) 0.956 9.755 ( -0.924 -0.383 0.664) 1.201 9.812 ( 0.865 3.367 -1.904) 3.963 9.854 ( 1.482 -0.702 -1.594) 2.286 9.909 ( -0.102 1.632 -0.158) 1.643 9.926 ( 0.693 0.373 1.408) 1.613 9.981 ( -2.256 4.305 -0.362) 4.874 10.012 ( -0.217 1.989 0.391) 2.038 10.063 ( -2.398 1.206 -0.333) 2.705 10.069 ( -2.774 0.761 0.443) 2.910 10.096 ( -0.869 -2.736 -0.706) 2.956 10.107 ( -1.226 -1.810 -0.074) 2.188 10.143 ( -0.410 0.170 -0.294) 0.533 10.173 ( -0.326 -1.872 -2.008) 2.764 10.177 ( -0.163 0.363 0.604) 0.724 10.188 ( -0.902 -0.286 -0.191) 0.965 10.320 ( 1.399 1.462 0.437) 2.070 10.339 ( 1.763 -0.553 0.424) 1.895 10.381 ( -1.196 2.550 0.016) 2.816 10.429 ( -0.822 -2.332 0.633) 2.552 10.648 ( 1.214 0.296 -0.992) 1.596 10.659 ( 1.549 -0.565 -0.051) 1.649 10.695 ( 0.581 0.086 -0.775) 0.973 10.718 ( 0.872 -2.248 -0.367) 2.439 10.880 ( -0.790 0.604 3.147) 3.301 10.900 ( -1.020 -1.150 1.240) 1.975 11.023 ( -3.517 0.330 1.125) 3.707 11.036 ( -3.824 -1.302 1.894) 4.462 11.088 ( -2.679 1.939 -1.714) 3.725 11.125 ( -2.352 -1.654 -2.079) 3.548 11.195 ( -0.021 1.146 0.603) 1.295 11.216 ( 0.067 -1.150 0.829) 1.419 11.309 ( 0.847 1.826 -2.234) 3.007 11.332 ( 0.804 0.488 -1.107) 1.453 11.390 ( 2.055 -1.333 0.030) 2.449 11.426 ( 1.338 -4.562 0.538) 4.785 ======================= Grid point 65 (33/33) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 6.199 6.208 4.029) 9.654 1.284 ( 1.675 5.076 2.546) 5.921 1.292 ( 5.910 8.250 -2.905) 10.556 1.361 ( 2.814 -2.630 4.870) 6.209 1.402 ( -2.029 -0.704 -0.395) 2.184 1.426 ( 2.069 -1.552 -1.143) 2.828 1.483 ( 1.893 0.604 1.862) 2.723 1.536 ( -1.096 -2.719 -1.325) 3.217 1.625 ( 1.869 -2.237 2.032) 3.554 1.662 ( 5.133 -5.824 -2.403) 8.126 1.709 ( -2.885 -0.867 0.125) 3.015 1.766 ( -2.345 -4.408 4.364) 6.631 1.786 ( -4.516 -0.662 -2.280) 5.102 1.814 ( -3.819 -3.730 -3.601) 6.439 1.938 ( -1.209 -1.424 0.637) 1.974 1.971 ( -3.733 -2.607 -2.347) 5.123 2.088 ( 4.459 1.416 -0.536) 4.709 2.111 ( 3.340 -0.781 1.399) 3.705 2.174 ( -2.674 3.014 0.360) 4.045 2.194 ( -2.504 1.409 -3.702) 4.686 2.270 ( 1.791 0.923 2.850) 3.490 2.274 ( 1.381 -1.366 -1.301) 2.338 2.309 ( 1.119 2.641 0.645) 2.940 2.345 ( 0.218 0.128 -1.247) 1.272 2.400 ( -0.789 5.492 0.653) 5.587 2.441 ( -2.554 2.511 -0.729) 3.655 2.490 ( -1.430 -2.133 -1.432) 2.940 2.497 ( -2.270 -1.292 -0.966) 2.785 2.577 ( 4.036 2.084 2.486) 5.179 2.589 ( 0.027 -0.098 0.906) 0.912 2.610 ( 1.320 1.678 -1.470) 2.592 2.640 ( 1.104 0.750 1.793) 2.235 2.665 ( -0.700 -2.045 -0.994) 2.379 2.678 ( 0.727 0.967 -3.134) 3.359 2.774 ( -0.124 3.466 4.942) 6.037 2.790 ( -1.068 1.122 -0.914) 1.799 2.841 ( -0.951 2.021 1.015) 2.453 2.870 ( 0.793 0.918 -1.183) 1.694 2.904 ( 1.667 8.856 -4.766) 10.194 2.954 ( -1.486 5.571 1.748) 6.025 2.965 ( 0.140 1.483 -3.050) 3.394 3.025 ( -3.880 6.196 3.312) 8.026 3.092 ( 1.898 -1.738 -2.629) 3.679 3.130 ( -1.720 -1.539 1.620) 2.820 3.168 ( 2.323 -0.926 -2.095) 3.263 3.185 ( 3.839 -3.028 0.567) 4.923 3.212 ( -0.155 -3.403 3.638) 4.984 3.251 ( 0.376 -8.078 1.671) 8.257 3.333 ( -1.104 -0.602 1.598) 2.033 3.339 ( -2.233 1.966 -3.331) 4.466 3.370 ( 1.424 -1.047 0.073) 1.769 3.393 ( 3.566 -1.596 0.224) 3.913 3.430 ( -2.195 -2.991 0.448) 3.736 3.475 ( -1.996 -3.732 -0.860) 4.319 3.562 ( -1.690 -0.214 -0.795) 1.879 3.580 ( -2.272 -1.275 -1.866) 3.204 3.699 ( 2.148 -0.722 -0.119) 2.269 3.728 ( 0.097 -2.813 2.235) 3.595 3.734 ( 1.153 -0.111 -0.760) 1.385 3.740 ( -0.462 -1.224 -0.561) 1.424 3.783 ( -2.958 0.507 0.952) 3.149 3.797 ( -4.238 -0.493 1.389) 4.487 3.947 ( 1.874 1.583 0.698) 2.550 3.981 ( 0.858 -1.177 0.996) 1.765 4.000 ( -0.427 0.473 0.226) 0.676 4.029 ( -0.563 -2.239 -0.316) 2.331 4.116 ( 0.613 -0.345 -2.532) 2.628 4.150 ( -1.630 1.853 0.773) 2.587 4.176 ( 2.444 -2.388 -1.130) 3.598 4.243 ( -3.345 -3.731 0.431) 5.029 4.307 ( 0.555 -0.572 1.686) 1.864 4.326 ( -1.096 -2.535 0.491) 2.805 4.366 ( -1.263 2.422 2.189) 3.501 4.381 ( -2.175 1.286 -0.959) 2.703 4.481 ( 1.059 -0.638 -1.214) 1.732 4.492 ( 0.313 -1.843 0.176) 1.877 4.528 ( -0.326 -0.060 1.241) 1.284 4.541 ( -0.757 -1.196 -2.298) 2.699 4.674 ( 2.209 1.684 -0.083) 2.779 4.691 ( 0.443 0.814 -0.315) 0.978 4.725 ( 2.185 1.358 -1.476) 2.966 4.765 ( -0.268 -1.855 -1.398) 2.338 4.813 ( -1.352 0.845 0.598) 1.702 4.837 ( -2.772 -1.409 1.535) 3.468 5.076 ( 1.423 0.315 0.798) 1.661 5.084 ( 0.717 -0.422 0.009) 0.832 5.138 ( 1.143 0.571 0.426) 1.347 5.159 ( -0.522 -1.640 0.035) 1.721 5.370 ( 0.982 1.079 1.733) 2.265 5.371 ( 0.798 0.655 0.912) 1.378 5.391 ( 0.092 1.217 -0.251) 1.246 5.401 ( -0.201 0.734 -1.112) 1.347 5.435 ( -1.937 0.540 1.998) 2.834 5.454 ( -2.858 -1.118 0.781) 3.167 5.560 ( -0.022 0.061 -1.304) 1.306 5.580 ( -1.740 -1.721 -1.915) 3.108 5.798 ( 4.210 0.174 -1.716) 4.549 5.806 ( 2.761 -1.249 -0.063) 3.031 5.870 ( 0.960 0.128 -0.946) 1.354 5.912 ( -2.694 -3.406 -0.654) 4.392 5.999 ( -1.456 0.864 1.226) 2.090 6.008 ( -2.182 0.252 0.775) 2.329 6.206 ( 0.674 3.280 2.211) 4.013 6.226 ( 0.343 1.437 -1.347) 1.999 6.246 ( 1.446 -0.440 -0.666) 1.652 6.287 ( -2.650 1.252 0.225) 2.940 6.295 ( 1.442 -5.090 1.465) 5.489 6.336 ( -1.909 -3.598 -1.726) 4.423 6.570 ( 0.493 2.053 0.981) 2.328 6.581 ( -0.364 1.508 -0.800) 1.746 6.647 ( 0.912 0.399 -0.475) 1.103 6.663 ( -0.586 -0.753 -0.002) 0.954 6.729 ( 0.610 1.707 -0.687) 1.938 6.751 ( -1.563 -0.249 0.337) 1.618 6.915 ( 0.852 -0.835 -0.405) 1.260 6.931 ( -0.813 -2.029 0.335) 2.211 7.250 ( 0.084 0.215 0.864) 0.894 7.253 ( 0.129 0.065 -0.842) 0.854 7.454 ( 1.333 2.069 1.885) 3.100 7.477 ( 0.231 -0.179 -1.158) 1.194 7.565 ( 0.463 6.424 -2.711) 6.988 7.587 ( -0.985 4.223 -0.538) 4.370 7.632 ( -1.905 -0.836 0.996) 2.307 7.640 ( -2.072 0.439 1.382) 2.529 7.784 ( 0.861 -2.477 0.037) 2.623 7.785 ( 1.393 -2.880 -1.169) 3.406 7.904 ( 1.895 2.272 0.155) 2.963 7.945 ( -0.835 1.078 0.024) 1.363 7.961 ( 0.113 -0.872 1.274) 1.548 8.010 ( -3.544 -3.076 0.371) 4.707 8.331 ( -0.474 1.243 -0.372) 1.381 8.333 ( -0.666 1.098 -0.504) 1.380 8.601 ( -0.635 0.168 0.004) 0.657 8.604 ( -0.813 -0.133 -0.703) 1.083 8.785 ( 1.485 -0.293 -0.438) 1.576 8.802 ( -0.390 -1.983 1.793) 2.702 9.300 ( 0.233 -0.694 -0.324) 0.801 9.307 ( -0.415 -1.418 -0.004) 1.478 9.370 ( 0.501 -0.639 0.138) 0.823 9.375 ( 0.051 -1.099 -0.041) 1.100 9.602 ( 0.732 2.195 0.330) 2.337 9.619 ( -0.642 0.495 0.005) 0.811 9.701 ( -0.408 0.222 0.763) 0.894 9.707 ( -0.758 -0.195 0.797) 1.117 9.755 ( 0.894 1.428 0.426) 1.738 9.762 ( 0.601 0.823 -0.518) 1.143 9.830 ( 1.569 3.392 -1.295) 3.955 9.858 ( -0.820 0.804 -0.698) 1.344 9.910 ( 0.190 2.248 1.076) 2.499 9.931 ( -1.812 4.321 -1.047) 4.801 9.951 ( 1.221 -0.698 1.772) 2.262 9.996 ( -2.868 1.647 -1.640) 3.691 10.015 ( 0.375 -0.763 -0.412) 0.944 10.030 ( -1.459 -0.158 0.806) 1.675 10.079 ( -0.458 -2.366 -0.239) 2.422 10.083 ( -0.886 -2.525 -0.118) 2.678 10.143 ( 0.436 -0.256 0.190) 0.540 10.156 ( -0.684 -1.044 -0.585) 1.378 10.175 ( -0.124 -0.309 1.503) 1.539 10.182 ( -0.146 -1.029 -1.882) 2.150 10.349 ( 1.163 1.743 0.254) 2.111 10.360 ( -0.087 1.258 0.846) 1.518 10.381 ( 1.181 0.652 -0.700) 1.519 10.406 ( -1.347 -0.979 0.192) 1.676 10.676 ( 1.740 0.506 -1.505) 2.356 10.685 ( 0.760 -0.230 0.176) 0.813 10.730 ( 2.756 0.377 0.860) 2.912 10.754 ( 2.035 -1.954 0.140) 2.824 10.870 ( -1.285 0.760 -2.147) 2.615 10.876 ( -0.121 -0.125 0.451) 0.483 10.906 ( -5.650 0.251 2.398) 6.143 10.917 ( -5.942 -0.814 1.669) 6.225 11.090 ( 0.666 -0.485 -0.261) 0.864 11.101 ( -0.378 -1.411 -1.216) 1.901 11.198 ( 0.357 0.557 0.404) 0.775 11.210 ( -0.596 -0.617 -0.303) 0.910 11.332 ( 1.158 2.638 -0.248) 2.891 11.343 ( 0.126 2.180 -0.187) 2.192 11.420 ( 0.930 -3.406 -0.026) 3.531 11.432 ( -0.374 -4.213 0.149) 4.233 =================== 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 3/18000 10.0 193.544 199.054 156.218 0.000 -24.325 0.000 3/18000 20.0 29.617 35.954 26.746 0.000 -4.307 0.000 3/18000 30.0 11.712 14.792 11.157 0.000 -1.739 0.000 3/18000 40.0 6.658 8.557 6.545 0.000 -1.004 0.000 3/18000 50.0 4.521 5.866 4.532 0.000 -0.688 0.000 3/18000 60.0 3.394 4.426 3.445 0.000 -0.519 0.000 3/18000 70.0 2.711 3.546 2.775 0.000 -0.415 0.000 3/18000 80.0 2.258 2.957 2.324 0.000 -0.345 0.000 3/18000 90.0 1.937 2.539 2.001 0.000 -0.295 0.000 3/18000 100.0 1.698 2.226 1.758 0.000 -0.258 0.000 3/18000 110.0 1.514 1.984 1.570 0.000 -0.229 0.000 3/18000 120.0 1.367 1.791 1.419 0.000 -0.205 0.000 3/18000 130.0 1.247 1.634 1.296 0.000 -0.187 0.000 3/18000 140.0 1.147 1.503 1.193 0.000 -0.171 0.000 3/18000 150.0 1.063 1.392 1.106 0.000 -0.158 0.000 3/18000 160.0 0.991 1.297 1.031 0.000 -0.147 0.000 3/18000 170.0 0.928 1.214 0.966 0.000 -0.137 0.000 3/18000 180.0 0.873 1.142 0.909 0.000 -0.128 0.000 3/18000 190.0 0.825 1.078 0.858 0.000 -0.121 0.000 3/18000 200.0 0.781 1.022 0.813 0.000 -0.114 0.000 3/18000 210.0 0.743 0.971 0.773 0.000 -0.108 0.000 3/18000 220.0 0.707 0.924 0.737 0.000 -0.103 0.000 3/18000 230.0 0.676 0.883 0.704 0.000 -0.098 0.000 3/18000 240.0 0.647 0.845 0.673 0.000 -0.094 0.000 3/18000 250.0 0.620 0.810 0.646 0.000 -0.090 0.000 3/18000 260.0 0.596 0.778 0.620 0.000 -0.086 0.000 3/18000 270.0 0.573 0.748 0.597 0.000 -0.083 0.000 3/18000 280.0 0.552 0.721 0.575 0.000 -0.080 0.000 3/18000 290.0 0.533 0.696 0.555 0.000 -0.077 0.000 3/18000 300.0 0.515 0.672 0.536 0.000 -0.074 0.000 3/18000 310.0 0.498 0.650 0.519 0.000 -0.071 0.000 3/18000 320.0 0.482 0.629 0.502 0.000 -0.069 0.000 3/18000 330.0 0.468 0.610 0.487 0.000 -0.067 0.000 3/18000 340.0 0.454 0.592 0.472 0.000 -0.065 0.000 3/18000 350.0 0.441 0.575 0.459 0.000 -0.063 0.000 3/18000 360.0 0.428 0.558 0.446 0.000 -0.061 0.000 3/18000 370.0 0.417 0.543 0.434 0.000 -0.059 0.000 3/18000 380.0 0.406 0.529 0.422 0.000 -0.058 0.000 3/18000 390.0 0.395 0.515 0.411 0.000 -0.056 0.000 3/18000 400.0 0.385 0.502 0.401 0.000 -0.055 0.000 3/18000 410.0 0.376 0.490 0.391 0.000 -0.053 0.000 3/18000 420.0 0.367 0.478 0.382 0.000 -0.052 0.000 3/18000 430.0 0.358 0.467 0.373 0.000 -0.051 0.000 3/18000 440.0 0.350 0.456 0.364 0.000 -0.050 0.000 3/18000 450.0 0.342 0.446 0.356 0.000 -0.049 0.000 3/18000 460.0 0.335 0.436 0.348 0.000 -0.048 0.000 3/18000 470.0 0.328 0.427 0.341 0.000 -0.047 0.000 3/18000 480.0 0.321 0.418 0.334 0.000 -0.046 0.000 3/18000 490.0 0.314 0.409 0.327 0.000 -0.045 0.000 3/18000 500.0 0.308 0.401 0.320 0.000 -0.044 0.000 3/18000 510.0 0.302 0.393 0.314 0.000 -0.043 0.000 3/18000 520.0 0.296 0.386 0.308 0.000 -0.042 0.000 3/18000 530.0 0.290 0.378 0.302 0.000 -0.041 0.000 3/18000 540.0 0.285 0.371 0.297 0.000 -0.040 0.000 3/18000 550.0 0.280 0.365 0.291 0.000 -0.040 0.000 3/18000 560.0 0.275 0.358 0.286 0.000 -0.039 0.000 3/18000 570.0 0.270 0.352 0.281 0.000 -0.038 0.000 3/18000 580.0 0.265 0.346 0.276 0.000 -0.038 0.000 3/18000 590.0 0.261 0.340 0.271 0.000 -0.037 0.000 3/18000 600.0 0.257 0.334 0.267 0.000 -0.036 0.000 3/18000 610.0 0.252 0.329 0.263 0.000 -0.036 0.000 3/18000 620.0 0.248 0.323 0.258 0.000 -0.035 0.000 3/18000 630.0 0.244 0.318 0.254 0.000 -0.035 0.000 3/18000 640.0 0.240 0.313 0.250 0.000 -0.034 0.000 3/18000 650.0 0.237 0.308 0.246 0.000 -0.033 0.000 3/18000 660.0 0.233 0.304 0.243 0.000 -0.033 0.000 3/18000 670.0 0.230 0.299 0.239 0.000 -0.032 0.000 3/18000 680.0 0.226 0.295 0.236 0.000 -0.032 0.000 3/18000 690.0 0.223 0.291 0.232 0.000 -0.031 0.000 3/18000 700.0 0.220 0.286 0.229 0.000 -0.031 0.000 3/18000 710.0 0.217 0.282 0.226 0.000 -0.031 0.000 3/18000 720.0 0.214 0.278 0.222 0.000 -0.030 0.000 3/18000 730.0 0.211 0.275 0.219 0.000 -0.030 0.000 3/18000 740.0 0.208 0.271 0.216 0.000 -0.029 0.000 3/18000 750.0 0.205 0.267 0.214 0.000 -0.029 0.000 3/18000 760.0 0.203 0.264 0.211 0.000 -0.029 0.000 3/18000 770.0 0.200 0.260 0.208 0.000 -0.028 0.000 3/18000 780.0 0.197 0.257 0.205 0.000 -0.028 0.000 3/18000 790.0 0.195 0.254 0.203 0.000 -0.027 0.000 3/18000 800.0 0.192 0.251 0.200 0.000 -0.027 0.000 3/18000 810.0 0.190 0.247 0.198 0.000 -0.027 0.000 3/18000 820.0 0.188 0.244 0.195 0.000 -0.026 0.000 3/18000 830.0 0.185 0.242 0.193 0.000 -0.026 0.000 3/18000 840.0 0.183 0.239 0.191 0.000 -0.026 0.000 3/18000 850.0 0.181 0.236 0.188 0.000 -0.026 0.000 3/18000 860.0 0.179 0.233 0.186 0.000 -0.025 0.000 3/18000 870.0 0.177 0.230 0.184 0.000 -0.025 0.000 3/18000 880.0 0.175 0.228 0.182 0.000 -0.025 0.000 3/18000 890.0 0.173 0.225 0.180 0.000 -0.024 0.000 3/18000 900.0 0.171 0.223 0.178 0.000 -0.024 0.000 3/18000 910.0 0.169 0.220 0.176 0.000 -0.024 0.000 3/18000 920.0 0.167 0.218 0.174 0.000 -0.024 0.000 3/18000 930.0 0.166 0.216 0.172 0.000 -0.023 0.000 3/18000 940.0 0.164 0.213 0.170 0.000 -0.023 0.000 3/18000 950.0 0.162 0.211 0.169 0.000 -0.023 0.000 3/18000 960.0 0.160 0.209 0.167 0.000 -0.023 0.000 3/18000 970.0 0.159 0.207 0.165 0.000 -0.022 0.000 3/18000 980.0 0.157 0.205 0.163 0.000 -0.022 0.000 3/18000 990.0 0.156 0.202 0.162 0.000 -0.022 0.000 3/18000 1000.0 0.154 0.200 0.160 0.000 -0.022 0.000 3/18000 Thermal conductivity related properties were written into "kappa-m554.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:49:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|